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 1b46_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADVPAGVQLA DKQTLVRNNG SEVQSLDPHK IEGVPESNVS RDLFEGLLIS DATA SEQUENCE DVEGHPSPGV AEKWENKDFK VWTFHLRENA KWSDGTPVTA HDFVYSWQRL DATA SEQUENCE ADPNTASPYA SYLQYGHIAN IDDIIAGKKP ATDLGVKALD DHTFEVTLSE DATA SEQUENCE PVPYFYKLLV HPSVSPVPKS AVEKFGDKWT QPANIVTNGA YKLKNWVVNE DATA SEQUENCE RIVLERNPQY WDNAKTVINQ VTYLPISSEV TDVNRYRSGE IDMTYNNMPI DATA SEQUENCE ELFQKLKKEI PNEVRVDPYL cTYYYEINNQ KAPFNDVRVR TALKLALDRD DATA SEQUENCE IIVNKVKNQG DLPAYSYTPP YTDGAKLVEP EWFKWSQQKR NEEAKKLLAE DATA SEQUENCE AGFTADKPLT FDLLYNTSDL HKKLAIAVAS IWKKNLGVNV NLENQEWKTF DATA SEQUENCE LDTRHQGTFD VARAGWcADY NEPTSFLNTM LSDSSNNTAH YKSPAFDKLI DATA SEQUENCE ADTLKVADDT QRSELYAKAE QQLDKDSAIV PVYYYVNARL VKPWVGGYTG DATA SEQUENCE KDPLDNIYVK NLYIIKH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.614 177.584 0.050 0.000 1.274 1 A CA 0.000 52.111 52.037 0.124 0.000 0.836 1 A CB 0.000 19.123 19.000 0.206 0.000 0.831 2 D N 1.798 122.230 120.400 0.053 0.000 2.462 2 D HA 0.414 5.087 4.640 0.056 0.000 0.249 2 D C -0.435 175.803 176.300 -0.103 0.000 1.117 2 D CA 0.029 54.026 54.000 -0.006 0.000 0.900 2 D CB 1.582 42.405 40.800 0.037 0.000 1.039 2 D HN 0.273 nan 8.370 nan 0.000 0.516 3 V N 4.032 123.797 119.914 -0.248 0.000 2.470 3 V HA 0.170 4.324 4.120 0.056 0.000 0.276 3 V C -1.641 174.313 176.094 -0.234 0.000 1.040 3 V CA -1.158 60.843 62.300 -0.498 0.000 1.008 3 V CB 0.479 31.990 31.823 -0.520 0.000 0.990 3 V HN 0.324 nan 8.190 nan 0.000 0.477 4 P HA 0.238 nan 4.420 nan 0.000 0.269 4 P C -0.192 177.080 177.300 -0.046 0.000 1.215 4 P CA -0.222 62.848 63.100 -0.050 0.000 0.780 4 P CB 0.438 32.149 31.700 0.018 0.000 0.898 5 A N 1.809 124.617 122.820 -0.020 0.000 2.540 5 A HA 0.405 4.758 4.320 0.056 0.000 0.239 5 A C 1.562 179.144 177.584 -0.003 0.000 1.061 5 A CA 0.733 52.762 52.037 -0.014 0.000 0.758 5 A CB -1.269 17.729 19.000 -0.004 0.000 0.991 5 A HN 0.948 nan 8.150 nan 0.000 0.502 6 G N 0.536 109.333 108.800 -0.004 0.000 2.253 6 G HA2 -0.127 3.866 3.960 0.056 0.000 0.251 6 G HA3 -0.127 3.866 3.960 0.056 0.000 0.251 6 G C 0.732 175.643 174.900 0.018 0.000 0.998 6 G CA 0.688 45.792 45.100 0.008 0.000 0.621 6 G HN 2.389 nan 8.290 nan 0.000 0.524 7 V N 0.769 120.692 119.914 0.015 0.000 2.637 7 V HA 0.615 4.768 4.120 0.056 0.000 0.296 7 V C 0.323 176.439 176.094 0.037 0.000 1.046 7 V CA -0.105 62.224 62.300 0.048 0.000 1.066 7 V CB 1.142 33.019 31.823 0.090 0.000 0.968 7 V HN 0.453 nan 8.190 nan 0.000 0.483 8 Q N 5.491 125.327 119.800 0.060 0.000 2.256 8 Q HA 0.542 4.916 4.340 0.056 0.000 0.254 8 Q C -0.791 175.256 176.000 0.078 0.000 0.916 8 Q CA -0.445 55.387 55.803 0.049 0.000 0.932 8 Q CB 1.923 30.687 28.738 0.042 0.000 1.207 8 Q HN 0.765 nan 8.270 nan 0.000 0.426 9 L N 1.717 122.976 121.223 0.061 0.000 2.375 9 L HA 0.478 4.851 4.340 0.056 0.000 0.271 9 L C 0.425 177.337 176.870 0.070 0.000 1.107 9 L CA -0.755 54.140 54.840 0.092 0.000 0.806 9 L CB 0.958 43.058 42.059 0.068 0.000 1.146 9 L HN 0.697 nan 8.230 nan 0.000 0.447 10 A N 1.428 124.302 122.820 0.090 0.000 2.466 10 A HA 0.024 4.377 4.320 0.056 0.000 0.238 10 A C 0.656 178.247 177.584 0.010 0.000 1.074 10 A CA -0.234 51.822 52.037 0.031 0.000 0.774 10 A CB 0.145 19.171 19.000 0.043 0.000 1.015 10 A HN 0.846 nan 8.150 nan 0.000 0.498 11 D N -0.123 120.259 120.400 -0.030 0.000 2.144 11 D HA -0.021 4.653 4.640 0.056 0.000 0.200 11 D C 0.655 176.946 176.300 -0.015 0.000 0.978 11 D CA 1.476 55.461 54.000 -0.025 0.000 0.833 11 D CB 0.099 40.872 40.800 -0.046 0.000 0.961 11 D HN 0.562 nan 8.370 nan 0.000 0.470 12 K N 1.079 121.463 120.400 -0.026 0.000 2.240 12 K HA 0.136 4.489 4.320 0.056 0.000 0.271 12 K C -0.546 176.065 176.600 0.018 0.000 1.018 12 K CA -0.347 55.933 56.287 -0.012 0.000 0.874 12 K CB 0.740 33.219 32.500 -0.034 0.000 1.098 12 K HN -0.270 nan 8.250 nan 0.000 0.458 13 Q N 3.389 123.212 119.800 0.037 0.000 2.730 13 Q HA 0.136 4.509 4.340 0.056 0.000 0.244 13 Q C -0.809 175.226 176.000 0.060 0.000 1.176 13 Q CA -0.176 55.667 55.803 0.066 0.000 1.024 13 Q CB 1.063 29.851 28.738 0.082 0.000 1.215 13 Q HN 0.796 nan 8.270 nan 0.000 0.542 14 T N -1.673 112.907 114.554 0.044 0.000 2.907 14 T HA 0.782 5.166 4.350 0.056 0.000 0.292 14 T C -0.689 174.019 174.700 0.013 0.000 1.043 14 T CA -0.878 61.235 62.100 0.021 0.000 1.003 14 T CB 1.924 70.796 68.868 0.007 0.000 1.084 14 T HN 0.215 nan 8.240 nan 0.000 0.483 15 L N 1.543 122.744 121.223 -0.037 0.000 2.422 15 L HA 0.810 5.183 4.340 0.056 0.000 0.264 15 L C -1.572 175.219 176.870 -0.131 0.000 0.984 15 L CA -0.725 54.073 54.840 -0.071 0.000 0.819 15 L CB 2.428 44.415 42.059 -0.121 0.000 1.330 15 L HN 0.725 nan 8.230 nan 0.000 0.410 16 V N 4.637 124.482 119.914 -0.115 0.000 2.444 16 V HA 0.624 4.777 4.120 0.056 0.000 0.294 16 V C -0.338 175.650 176.094 -0.176 0.000 1.022 16 V CA -0.581 61.633 62.300 -0.144 0.000 0.850 16 V CB 1.648 33.429 31.823 -0.069 0.000 0.992 16 V HN 0.702 nan 8.190 nan 0.000 0.426 17 R N 2.810 123.134 120.500 -0.295 0.000 2.562 17 R HA 0.468 4.841 4.340 0.056 0.000 0.298 17 R C -0.581 175.646 176.300 -0.123 0.000 0.961 17 R CA -0.848 55.102 56.100 -0.249 0.000 0.881 17 R CB 1.923 31.959 30.300 -0.441 0.000 1.159 17 R HN 0.696 nan 8.270 nan 0.000 0.450 18 N N 0.635 119.317 118.700 -0.029 0.000 2.530 18 N HA 0.032 4.805 4.740 0.056 0.000 0.277 18 N C -0.105 175.450 175.510 0.075 0.000 1.168 18 N CA -0.032 53.026 53.050 0.014 0.000 0.979 18 N CB 0.833 39.336 38.487 0.026 0.000 1.141 18 N HN 0.481 nan 8.380 nan 0.000 0.459 19 N N 1.052 119.735 118.700 -0.029 0.000 2.241 19 N HA 0.227 5.000 4.740 0.056 0.000 0.238 19 N C 0.651 175.738 175.510 -0.705 0.000 1.244 19 N CA 0.535 53.504 53.050 -0.134 0.000 0.880 19 N CB 0.155 38.635 38.487 -0.011 0.000 1.179 19 N HN 0.760 nan 8.380 nan 0.000 0.513 20 G N -0.152 108.142 108.800 -0.843 0.000 2.377 20 G HA2 -0.310 3.684 3.960 0.056 0.000 0.250 20 G HA3 -0.310 3.684 3.960 0.056 0.000 0.250 20 G C 0.108 174.628 174.900 -0.634 0.000 1.039 20 G CA 0.863 45.292 45.100 -1.118 0.000 0.625 20 G HN 1.121 nan 8.290 nan 0.000 0.526 21 S N -1.464 113.947 115.700 -0.482 0.000 2.656 21 S HA 0.516 5.020 4.470 0.056 0.000 0.265 21 S C -1.003 173.515 174.600 -0.136 0.000 1.110 21 S CA 0.122 58.161 58.200 -0.269 0.000 0.821 21 S CB 1.827 64.848 63.200 -0.299 0.000 1.099 21 S HN 1.189 nan 8.310 nan 0.000 0.471 22 E N 1.448 121.651 120.200 0.005 0.000 2.344 22 E HA 0.422 4.805 4.350 0.056 0.000 0.270 22 E C 0.400 177.081 176.600 0.134 0.000 1.021 22 E CA -0.448 56.003 56.400 0.085 0.000 0.887 22 E CB 0.772 30.551 29.700 0.132 0.000 0.997 22 E HN 1.008 nan 8.360 nan 0.000 0.429 23 V N 2.615 122.584 119.914 0.091 0.000 3.139 23 V HA -0.026 4.127 4.120 0.056 0.000 0.307 23 V C 1.020 177.227 176.094 0.189 0.000 1.095 23 V CA 0.081 62.438 62.300 0.095 0.000 1.160 23 V CB 0.818 32.583 31.823 -0.097 0.000 1.003 23 V HN 0.873 nan 8.190 nan 0.000 0.489 24 Q N 1.531 121.438 119.800 0.179 0.000 2.119 24 Q HA 0.109 4.483 4.340 0.056 0.000 0.201 24 Q C 1.056 177.138 176.000 0.137 0.000 0.972 24 Q CA 1.564 57.449 55.803 0.136 0.000 0.847 24 Q CB 0.220 29.005 28.738 0.077 0.000 0.903 24 Q HN 0.978 nan 8.270 nan 0.000 0.433 25 S N -2.402 113.351 115.700 0.088 0.000 2.643 25 S HA 0.289 4.792 4.470 0.056 0.000 0.266 25 S C -1.066 173.461 174.600 -0.122 0.000 1.130 25 S CA -0.772 57.477 58.200 0.081 0.000 0.817 25 S CB 0.107 63.337 63.200 0.050 0.000 1.107 25 S HN 0.160 nan 8.310 nan 0.000 0.471 26 L N 1.243 122.348 121.223 -0.196 0.000 2.766 26 L HA 0.382 4.755 4.340 0.056 0.000 0.242 26 L C 0.047 176.802 176.870 -0.191 0.000 1.136 26 L CA -0.051 54.621 54.840 -0.279 0.000 0.933 26 L CB 0.346 42.147 42.059 -0.431 0.000 1.241 26 L HN 0.577 nan 8.230 nan 0.000 0.522 27 D N 1.470 121.761 120.400 -0.181 0.000 2.325 27 D HA 0.110 4.783 4.640 0.056 0.000 0.251 27 D C -1.718 174.516 176.300 -0.110 0.000 1.196 27 D CA -1.868 52.082 54.000 -0.084 0.000 0.866 27 D CB 1.974 42.834 40.800 0.100 0.000 1.101 27 D HN -0.118 nan 8.370 nan 0.000 0.476 28 P HA -0.118 nan 4.420 nan 0.000 0.218 28 P C 0.372 177.570 177.300 -0.171 0.000 1.146 28 P CA 1.295 64.207 63.100 -0.314 0.000 0.813 28 P CB 0.077 31.458 31.700 -0.532 0.000 0.778 29 H N -1.822 117.235 119.070 -0.022 0.000 2.539 29 H HA 0.152 4.741 4.556 0.056 0.000 0.267 29 H C 1.246 176.587 175.328 0.022 0.000 0.982 29 H CA 0.176 56.222 56.048 -0.004 0.000 1.146 29 H CB 0.314 30.077 29.762 0.002 0.000 1.382 29 H HN -0.037 nan 8.280 nan 0.000 0.577 30 K N 0.877 121.348 120.400 0.118 0.000 2.374 30 K HA 0.181 4.534 4.320 0.056 0.000 0.202 30 K C 0.460 177.094 176.600 0.057 0.000 1.040 30 K CA 0.059 56.396 56.287 0.083 0.000 1.085 30 K CB 0.949 33.498 32.500 0.080 0.000 0.873 30 K HN 0.374 nan 8.250 nan 0.000 0.539 31 I N -1.188 119.414 120.570 0.054 0.000 2.793 31 I HA 0.268 4.472 4.170 0.056 0.000 0.313 31 I C 0.862 177.075 176.117 0.160 0.000 0.998 31 I CA -0.494 60.842 61.300 0.060 0.000 1.140 31 I CB 1.462 39.456 38.000 -0.010 0.000 1.327 31 I HN -0.009 nan 8.210 nan 0.000 0.491 32 E N 2.300 122.614 120.200 0.189 0.000 2.608 32 E HA 0.241 4.624 4.350 0.056 0.000 0.204 32 E C 0.774 177.539 176.600 0.276 0.000 0.884 32 E CA -0.160 56.461 56.400 0.369 0.000 1.533 32 E CB 0.246 30.134 29.700 0.313 0.000 1.559 32 E HN 0.761 nan 8.360 nan 0.000 0.864 33 G N 1.357 110.312 108.800 0.259 0.000 2.616 33 G HA2 0.288 4.281 3.960 0.056 0.000 0.268 33 G HA3 0.288 4.281 3.960 0.056 0.000 0.268 33 G C 0.963 175.976 174.900 0.189 0.000 1.213 33 G CA -0.171 45.163 45.100 0.390 0.000 0.926 33 G HN -0.010 nan 8.290 nan 0.000 0.523 34 V N 1.484 121.493 119.914 0.158 0.000 2.295 34 V HA -0.096 4.057 4.120 0.056 0.000 0.246 34 V C 0.013 176.098 176.094 -0.015 0.000 1.049 34 V CA 2.157 64.474 62.300 0.028 0.000 1.024 34 V CB -0.872 30.981 31.823 0.050 0.000 0.648 34 V HN 0.519 nan 8.190 nan 0.000 0.447 35 P HA -0.121 nan 4.420 nan 0.000 0.215 35 P C 1.480 178.684 177.300 -0.160 0.000 1.153 35 P CA 1.263 64.249 63.100 -0.191 0.000 0.853 35 P CB 0.030 31.502 31.700 -0.380 0.000 0.788 36 E N -0.625 119.546 120.200 -0.048 0.000 2.051 36 E HA -0.124 4.260 4.350 0.056 0.000 0.192 36 E C 2.143 178.636 176.600 -0.178 0.000 0.991 36 E CA 1.556 57.900 56.400 -0.093 0.000 0.799 36 E CB -1.087 28.617 29.700 0.007 0.000 0.748 36 E HN 0.139 nan 8.360 nan 0.000 0.449 37 S N 0.729 116.334 115.700 -0.159 0.000 2.402 37 S HA -0.088 4.416 4.470 0.056 0.000 0.229 37 S C 1.576 176.028 174.600 -0.247 0.000 1.021 37 S CA 0.717 58.783 58.200 -0.223 0.000 0.974 37 S CB -0.266 62.798 63.200 -0.227 0.000 0.800 37 S HN 0.242 nan 8.310 nan 0.000 0.484 38 N N 1.471 120.029 118.700 -0.236 0.000 2.104 38 N HA -0.072 4.701 4.740 0.056 0.000 0.190 38 N C 1.673 176.900 175.510 -0.472 0.000 1.024 38 N CA 1.081 53.967 53.050 -0.273 0.000 0.853 38 N CB -0.609 37.764 38.487 -0.189 0.000 1.008 38 N HN 0.240 nan 8.380 nan 0.000 0.424 39 V N -0.001 119.544 119.914 -0.616 0.000 2.488 39 V HA -0.078 4.076 4.120 0.056 0.000 0.246 39 V C 2.420 178.293 176.094 -0.368 0.000 1.046 39 V CA 1.313 63.185 62.300 -0.713 0.000 1.053 39 V CB -0.617 30.780 31.823 -0.709 0.000 0.679 39 V HN 0.285 nan 8.190 nan 0.000 0.458 40 S N -0.197 115.350 115.700 -0.255 0.000 2.383 40 S HA -0.218 4.285 4.470 0.056 0.000 0.229 40 S C 2.168 176.725 174.600 -0.071 0.000 1.030 40 S CA 1.563 59.715 58.200 -0.082 0.000 1.002 40 S CB -0.259 62.886 63.200 -0.092 0.000 0.829 40 S HN 0.537 nan 8.310 nan 0.000 0.467 41 R N 0.437 120.827 120.500 -0.184 0.000 2.152 41 R HA -0.035 4.339 4.340 0.056 0.000 0.232 41 R C 1.480 177.742 176.300 -0.065 0.000 1.117 41 R CA 1.404 57.386 56.100 -0.196 0.000 0.981 41 R CB -0.259 29.694 30.300 -0.579 0.000 0.870 41 R HN 0.431 nan 8.270 nan 0.000 0.451 42 D N 0.228 120.578 120.400 -0.083 0.000 2.234 42 D HA -0.040 4.634 4.640 0.056 0.000 0.205 42 D C 1.804 178.096 176.300 -0.013 0.000 0.962 42 D CA 0.891 54.912 54.000 0.035 0.000 0.855 42 D CB 0.223 41.006 40.800 -0.029 0.000 0.951 42 D HN 0.211 nan 8.370 nan 0.000 0.500 43 L N -1.281 119.849 121.223 -0.154 0.000 2.316 43 L HA 0.139 4.513 4.340 0.056 0.000 0.207 43 L C 0.038 176.570 176.870 -0.564 0.000 1.070 43 L CA 0.384 54.980 54.840 -0.407 0.000 0.820 43 L CB 0.250 41.924 42.059 -0.641 0.000 0.992 43 L HN -0.161 nan 8.230 nan 0.000 0.466 44 F N -0.184 119.784 119.950 0.031 0.000 2.507 44 F HA 0.398 4.958 4.527 0.055 0.000 0.325 44 F C 0.023 175.859 175.800 0.061 0.000 1.116 44 F CA -0.867 57.168 58.000 0.057 0.000 0.930 44 F CB 1.614 40.657 39.000 0.071 0.000 1.146 44 F HN -0.194 nan 8.300 nan 0.000 0.447 45 E N 1.880 122.221 120.200 0.234 0.000 2.176 45 E HA 0.604 4.988 4.350 0.056 0.000 0.267 45 E C 0.009 176.786 176.600 0.295 0.000 0.893 45 E CA -0.566 55.990 56.400 0.260 0.000 0.761 45 E CB 1.463 31.343 29.700 0.299 0.000 1.133 45 E HN 0.814 nan 8.360 nan 0.000 0.409 46 G N 2.916 111.902 108.800 0.308 0.000 2.494 46 G HA2 0.113 4.106 3.960 0.056 0.000 0.270 46 G HA3 0.113 4.106 3.960 0.056 0.000 0.270 46 G C 0.900 175.965 174.900 0.274 0.000 1.423 46 G CA -0.476 44.862 45.100 0.397 0.000 1.055 46 G HN 0.611 nan 8.290 nan 0.000 0.536 47 L N -1.355 119.887 121.223 0.033 0.000 2.012 47 L HA 0.020 4.394 4.340 0.056 0.000 0.210 47 L C 0.649 177.461 176.870 -0.097 0.000 1.073 47 L CA 0.795 55.474 54.840 -0.267 0.000 0.748 47 L CB -0.544 41.127 42.059 -0.646 0.000 0.891 47 L HN 0.121 nan 8.230 nan 0.000 0.431 48 L N -1.399 119.784 121.223 -0.066 0.000 2.279 48 L HA 0.577 4.951 4.340 0.056 0.000 0.262 48 L C -0.313 176.632 176.870 0.125 0.000 1.019 48 L CA -0.529 54.316 54.840 0.008 0.000 0.823 48 L CB 1.990 43.997 42.059 -0.085 0.000 1.358 48 L HN -0.031 nan 8.230 nan 0.000 0.432 49 I N -3.422 117.245 120.570 0.160 0.000 3.074 49 I HA 0.669 4.873 4.170 0.056 0.000 0.310 49 I C -0.653 175.560 176.117 0.160 0.000 1.153 49 I CA -0.693 60.706 61.300 0.165 0.000 0.993 49 I CB 2.291 40.273 38.000 -0.030 0.000 1.237 49 I HN 0.343 nan 8.210 nan 0.000 0.443 50 S N 1.989 117.828 115.700 0.232 0.000 2.584 50 S HA 0.250 4.754 4.470 0.056 0.000 0.273 50 S C -0.474 174.187 174.600 0.101 0.000 1.311 50 S CA -0.609 57.724 58.200 0.223 0.000 1.034 50 S CB 0.814 64.194 63.200 0.301 0.000 0.939 50 S HN 0.801 nan 8.310 nan 0.000 0.513 51 D N 0.594 121.075 120.400 0.135 0.000 2.440 51 D HA 0.057 4.730 4.640 0.056 0.000 0.269 51 D C 1.610 177.966 176.300 0.094 0.000 1.249 51 D CA -0.593 53.471 54.000 0.105 0.000 1.055 51 D CB -0.370 40.539 40.800 0.183 0.000 1.104 51 D HN 0.277 nan 8.370 nan 0.000 0.561 52 V N -3.103 116.863 119.914 0.087 0.000 2.913 52 V HA -0.066 4.088 4.120 0.056 0.000 0.260 52 V C 1.279 177.371 176.094 -0.004 0.000 1.098 52 V CA 1.403 63.743 62.300 0.067 0.000 1.121 52 V CB -1.132 30.735 31.823 0.073 0.000 0.714 52 V HN 0.521 nan 8.190 nan 0.000 0.487 53 E N 0.552 120.719 120.200 -0.056 0.000 2.481 53 E HA 0.389 4.773 4.350 0.056 0.000 0.198 53 E C 1.617 178.040 176.600 -0.296 0.000 1.027 53 E CA 0.455 56.739 56.400 -0.194 0.000 0.900 53 E CB 0.673 30.239 29.700 -0.224 0.000 0.993 53 E HN 0.765 nan 8.360 nan 0.000 0.482 54 G N 1.718 110.427 108.800 -0.151 0.000 2.175 54 G HA2 -0.253 3.741 3.960 0.056 0.000 0.244 54 G HA3 -0.253 3.741 3.960 0.056 0.000 0.244 54 G C -0.135 174.753 174.900 -0.020 0.000 0.982 54 G CA -0.112 44.950 45.100 -0.064 0.000 0.641 54 G HN 0.435 nan 8.290 nan 0.000 0.527 55 H N 1.782 120.940 119.070 0.147 0.000 2.803 55 H HA 0.398 4.973 4.556 0.031 0.000 0.330 55 H C -2.148 173.309 175.328 0.215 0.000 1.057 55 H CA -1.257 54.899 56.048 0.180 0.000 1.458 55 H CB 0.723 30.589 29.762 0.173 0.000 1.470 55 H HN 0.128 nan 8.280 nan 0.000 0.560 56 P HA 0.009 nan 4.420 nan 0.000 0.263 56 P C -0.703 176.851 177.300 0.423 0.000 1.195 56 P CA 0.467 63.787 63.100 0.366 0.000 0.762 56 P CB 0.857 32.825 31.700 0.446 0.000 0.799 57 S N 3.862 119.781 115.700 0.366 0.000 2.638 57 S HA 0.565 5.069 4.470 0.056 0.000 0.274 57 S C -2.819 172.030 174.600 0.415 0.000 1.157 57 S CA -1.531 56.909 58.200 0.400 0.000 0.826 57 S CB 1.246 64.616 63.200 0.283 0.000 1.139 57 S HN 0.186 nan 8.310 nan 0.000 0.474 58 P HA 0.214 nan 4.420 nan 0.000 0.264 58 P C -0.015 177.479 177.300 0.323 0.000 1.193 58 P CA 0.399 63.759 63.100 0.434 0.000 0.763 58 P CB 0.383 32.268 31.700 0.308 0.000 0.810 59 G N 1.526 110.479 108.800 0.255 0.000 3.110 59 G HA2 0.107 4.100 3.960 0.056 0.000 0.207 59 G HA3 0.107 4.100 3.960 0.056 0.000 0.207 59 G C 1.016 176.026 174.900 0.183 0.000 1.841 59 G CA -0.217 45.063 45.100 0.300 0.000 0.751 59 G HN 0.263 nan 8.290 nan 0.000 0.771 60 V N 1.871 121.867 119.914 0.138 0.000 2.515 60 V HA 0.182 4.336 4.120 0.056 0.000 0.250 60 V C 1.844 177.883 176.094 -0.090 0.000 1.058 60 V CA 1.358 63.655 62.300 -0.004 0.000 1.064 60 V CB -0.699 31.196 31.823 0.119 0.000 0.675 60 V HN 0.598 nan 8.190 nan 0.000 0.461 61 A N 0.941 123.757 122.820 -0.006 0.000 2.354 61 A HA 0.269 4.623 4.320 0.056 0.000 0.281 61 A C 1.283 179.014 177.584 0.245 0.000 1.174 61 A CA -0.072 52.058 52.037 0.155 0.000 0.828 61 A CB 0.111 19.318 19.000 0.346 0.000 1.099 61 A HN 0.644 nan 8.150 nan 0.000 0.516 62 E N 2.755 123.037 120.200 0.137 0.000 2.250 62 E HA 0.023 4.407 4.350 0.056 0.000 0.192 62 E C 0.069 176.743 176.600 0.124 0.000 0.986 62 E CA 0.516 56.956 56.400 0.067 0.000 0.849 62 E CB 0.035 29.681 29.700 -0.091 0.000 0.797 62 E HN 0.582 nan 8.360 nan 0.000 0.482 63 K N 0.207 120.739 120.400 0.220 0.000 2.556 63 K HA 0.422 4.775 4.320 0.056 0.000 0.274 63 K C -1.595 175.216 176.600 0.351 0.000 0.966 63 K CA -0.762 55.525 56.287 0.000 0.000 0.865 63 K CB 1.246 33.673 32.500 -0.123 0.000 1.444 63 K HN 0.205 nan 8.250 nan 0.000 0.433 64 W N -0.080 121.295 121.300 0.124 0.000 3.137 64 W HA 0.675 5.364 4.660 0.048 0.000 0.324 64 W C -1.222 175.260 176.519 -0.062 0.000 1.253 64 W CA -0.629 56.705 57.345 -0.019 0.000 1.183 64 W CB 0.985 30.323 29.460 -0.205 0.000 1.424 64 W HN 0.533 nan 8.180 nan 0.000 0.566 65 E N 1.221 121.443 120.200 0.036 0.000 2.410 65 E HA 0.542 4.925 4.350 0.056 0.000 0.269 65 E C -1.186 175.267 176.600 -0.244 0.000 0.937 65 E CA -1.179 55.164 56.400 -0.095 0.000 0.793 65 E CB 1.984 31.619 29.700 -0.107 0.000 1.314 65 E HN 0.532 nan 8.360 nan 0.000 0.447 66 N N -0.863 117.564 118.700 -0.455 0.000 2.284 66 N HA 0.395 5.168 4.740 0.056 0.000 0.289 66 N C -1.516 173.629 175.510 -0.608 0.000 1.179 66 N CA -1.075 51.470 53.050 -0.840 0.000 0.774 66 N CB 1.855 39.306 38.487 -1.727 0.000 1.548 66 N HN 0.246 nan 8.380 nan 0.000 0.473 67 K N 0.992 121.055 120.400 -0.561 0.000 2.483 67 K HA 0.202 4.555 4.320 0.056 0.000 0.256 67 K C -0.951 175.398 176.600 -0.418 0.000 0.961 67 K CA -0.346 55.698 56.287 -0.404 0.000 0.873 67 K CB 0.317 32.658 32.500 -0.265 0.000 1.107 67 K HN 0.715 nan 8.250 nan 0.000 0.432 68 D N 4.230 124.338 120.400 -0.487 0.000 2.911 68 D HA -0.216 4.457 4.640 0.056 0.000 0.227 68 D C -0.356 175.744 176.300 -0.333 0.000 1.164 68 D CA 1.320 55.066 54.000 -0.424 0.000 0.782 68 D CB -1.128 39.559 40.800 -0.190 0.000 1.094 68 D HN 0.756 nan 8.370 nan 0.000 0.425 69 F N -2.193 117.609 119.950 -0.246 0.000 3.048 69 F HA -0.325 4.235 4.527 0.055 0.000 0.287 69 F C 1.605 177.447 175.800 0.071 0.000 0.796 69 F CA 1.507 59.435 58.000 -0.120 0.000 1.111 69 F CB -2.121 36.972 39.000 0.155 0.000 1.320 69 F HN 0.218 nan 8.300 nan 0.000 0.430 70 K N -1.116 119.278 120.400 -0.010 0.000 2.424 70 K HA 0.416 4.769 4.320 0.056 0.000 0.198 70 K C 0.112 176.723 176.600 0.019 0.000 1.190 70 K CA 0.582 56.911 56.287 0.069 0.000 0.935 70 K CB 1.273 33.781 32.500 0.014 0.000 1.087 70 K HN 0.003 nan 8.250 nan 0.000 0.524 71 V N 1.797 121.610 119.914 -0.169 0.000 2.407 71 V HA 0.275 4.429 4.120 0.056 0.000 0.291 71 V C -1.577 174.357 176.094 -0.265 0.000 1.018 71 V CA -0.720 61.509 62.300 -0.119 0.000 0.842 71 V CB 0.793 32.544 31.823 -0.120 0.000 0.996 71 V HN 0.170 nan 8.190 nan 0.000 0.426 72 W N 2.588 123.821 121.300 -0.111 0.000 2.475 72 W HA 0.645 5.338 4.660 0.054 0.000 0.317 72 W C 0.216 176.563 176.519 -0.287 0.000 1.046 72 W CA -0.427 56.828 57.345 -0.150 0.000 1.215 72 W CB 1.939 31.445 29.460 0.078 0.000 1.335 72 W HN 0.365 nan 8.180 nan 0.000 0.471 73 T N 4.339 118.730 114.554 -0.271 0.000 2.791 73 T HA 0.465 4.848 4.350 0.056 0.000 0.288 73 T C -1.017 173.388 174.700 -0.493 0.000 0.999 73 T CA -0.533 61.389 62.100 -0.297 0.000 0.952 73 T CB 0.247 68.986 68.868 -0.215 0.000 0.938 73 T HN -0.034 nan 8.240 nan 0.000 0.444 74 F N 2.812 122.732 119.950 -0.050 0.000 2.415 74 F HA 0.324 4.883 4.527 0.053 0.000 0.348 74 F C 1.068 176.743 175.800 -0.208 0.000 1.119 74 F CA -0.952 57.060 58.000 0.022 0.000 1.069 74 F CB 0.959 40.009 39.000 0.083 0.000 1.124 74 F HN 0.500 nan 8.300 nan 0.000 0.472 75 H N 5.562 124.795 119.070 0.271 0.000 2.690 75 H HA 0.308 4.897 4.556 0.055 0.000 0.289 75 H C -0.216 175.184 175.328 0.121 0.000 1.089 75 H CA -0.375 55.765 56.048 0.154 0.000 1.299 75 H CB 0.657 30.464 29.762 0.076 0.000 1.405 75 H HN 0.446 nan 8.280 nan 0.000 0.463 76 L N 3.891 125.207 121.223 0.156 0.000 2.349 76 L HA 0.254 4.627 4.340 0.056 0.000 0.275 76 L C 1.177 178.027 176.870 -0.034 0.000 1.115 76 L CA -0.697 54.178 54.840 0.058 0.000 0.820 76 L CB 0.614 42.718 42.059 0.075 0.000 1.135 76 L HN 0.474 nan 8.230 nan 0.000 0.445 77 R N 2.111 122.516 120.500 -0.159 0.000 2.570 77 R HA 0.035 4.409 4.340 0.056 0.000 0.277 77 R C 0.200 176.328 176.300 -0.285 0.000 1.039 77 R CA -0.534 55.408 56.100 -0.265 0.000 1.065 77 R CB 0.723 30.745 30.300 -0.462 0.000 0.964 77 R HN 0.557 nan 8.270 nan 0.000 0.428 78 E N 2.433 122.428 120.200 -0.340 0.000 2.204 78 E HA -0.187 4.196 4.350 0.056 0.000 0.195 78 E C 0.715 177.195 176.600 -0.200 0.000 0.990 78 E CA 1.311 57.440 56.400 -0.452 0.000 0.821 78 E CB -0.189 29.306 29.700 -0.342 0.000 0.750 78 E HN 0.795 nan 8.360 nan 0.000 0.477 79 N N 0.700 119.322 118.700 -0.130 0.000 2.276 79 N HA 0.090 4.863 4.740 0.056 0.000 0.212 79 N C -0.157 175.363 175.510 0.017 0.000 1.127 79 N CA 0.022 53.056 53.050 -0.027 0.000 0.834 79 N CB -0.000 38.489 38.487 0.004 0.000 1.014 79 N HN -0.083 nan 8.380 nan 0.000 0.491 80 A N 0.706 123.503 122.820 -0.038 0.000 2.454 80 A HA 0.428 4.782 4.320 0.056 0.000 0.260 80 A C 0.052 177.669 177.584 0.054 0.000 1.106 80 A CA -0.066 51.981 52.037 0.018 0.000 0.780 80 A CB 0.307 19.274 19.000 -0.055 0.000 1.044 80 A HN 0.360 nan 8.150 nan 0.000 0.498 81 K N 1.244 121.691 120.400 0.077 0.000 2.482 81 K HA 0.399 4.752 4.320 0.056 0.000 0.257 81 K C -1.367 175.254 176.600 0.036 0.000 0.969 81 K CA -0.525 55.808 56.287 0.077 0.000 0.842 81 K CB 1.630 34.215 32.500 0.142 0.000 1.359 81 K HN 0.756 nan 8.250 nan 0.000 0.441 82 W N 0.523 121.911 121.300 0.147 0.000 2.183 82 W HA 0.038 4.733 4.660 0.059 0.000 0.348 82 W C 1.655 178.239 176.519 0.108 0.000 1.257 82 W CA -0.092 57.332 57.345 0.130 0.000 1.324 82 W CB 0.736 30.264 29.460 0.113 0.000 1.144 82 W HN 0.726 nan 8.180 nan 0.000 0.622 83 S N -0.508 115.415 115.700 0.372 0.000 2.507 83 S HA -0.223 4.281 4.470 0.056 0.000 0.235 83 S C 0.903 175.612 174.600 0.182 0.000 0.988 83 S CA 1.385 59.714 58.200 0.215 0.000 0.944 83 S CB -0.494 62.799 63.200 0.155 0.000 0.762 83 S HN 0.609 nan 8.310 nan 0.000 0.526 84 D N -0.005 120.522 120.400 0.212 0.000 2.328 84 D HA 0.282 4.956 4.640 0.056 0.000 0.221 84 D C 1.408 177.797 176.300 0.148 0.000 1.072 84 D CA 0.484 54.573 54.000 0.149 0.000 0.850 84 D CB -0.545 40.325 40.800 0.117 0.000 0.922 84 D HN 0.501 nan 8.370 nan 0.000 0.516 85 G N 0.248 109.155 108.800 0.179 0.000 2.225 85 G HA2 -0.284 3.710 3.960 0.056 0.000 0.254 85 G HA3 -0.284 3.710 3.960 0.056 0.000 0.254 85 G C 0.548 175.556 174.900 0.181 0.000 0.988 85 G CA 0.510 45.703 45.100 0.155 0.000 0.625 85 G HN 0.806 nan 8.290 nan 0.000 0.527 86 T N 0.071 114.764 114.554 0.232 0.000 2.904 86 T HA 0.601 4.985 4.350 0.056 0.000 0.290 86 T C -2.302 172.603 174.700 0.342 0.000 1.018 86 T CA -1.330 60.920 62.100 0.249 0.000 1.075 86 T CB 2.131 71.124 68.868 0.209 0.000 0.986 86 T HN 0.103 nan 8.240 nan 0.000 0.523 87 P HA 0.283 nan 4.420 nan 0.000 0.271 87 P C -0.669 176.817 177.300 0.309 0.000 1.218 87 P CA -0.596 62.656 63.100 0.254 0.000 0.780 87 P CB 0.465 32.306 31.700 0.236 0.000 0.901 88 V N 3.087 123.075 119.914 0.124 0.000 2.461 88 V HA 0.363 4.516 4.120 0.056 0.000 0.275 88 V C 0.855 177.067 176.094 0.196 0.000 1.047 88 V CA 0.173 62.494 62.300 0.034 0.000 0.955 88 V CB 0.574 32.238 31.823 -0.264 0.000 0.988 88 V HN 0.743 nan 8.190 nan 0.000 0.471 89 T N 1.866 116.570 114.554 0.250 0.000 2.910 89 T HA 0.676 5.059 4.350 0.056 0.000 0.287 89 T C 1.081 175.882 174.700 0.168 0.000 1.050 89 T CA -0.063 62.149 62.100 0.188 0.000 1.011 89 T CB 1.995 70.970 68.868 0.179 0.000 1.195 89 T HN 0.594 nan 8.240 nan 0.000 0.540 90 A N -0.064 122.753 122.820 -0.005 0.000 2.019 90 A HA -0.074 4.280 4.320 0.056 0.000 0.219 90 A C 2.097 179.655 177.584 -0.044 0.000 1.164 90 A CA 1.251 53.267 52.037 -0.035 0.000 0.644 90 A CB -1.285 17.681 19.000 -0.057 0.000 0.805 90 A HN 0.947 nan 8.150 nan 0.000 0.449 91 H N 0.287 119.447 119.070 0.151 0.000 2.421 91 H HA -0.104 4.486 4.556 0.056 0.000 0.298 91 H C 1.333 176.746 175.328 0.141 0.000 1.087 91 H CA 1.484 57.614 56.048 0.138 0.000 1.330 91 H CB -0.256 29.561 29.762 0.091 0.000 1.388 91 H HN 0.482 nan 8.280 nan 0.000 0.526 92 D N 0.416 120.953 120.400 0.227 0.000 2.117 92 D HA -0.119 4.555 4.640 0.056 0.000 0.197 92 D C 2.041 178.343 176.300 0.003 0.000 0.987 92 D CA 0.781 54.877 54.000 0.160 0.000 0.829 92 D CB -0.419 40.518 40.800 0.228 0.000 0.961 92 D HN 0.271 nan 8.370 nan 0.000 0.460 93 F N 0.640 120.491 119.950 -0.165 0.000 2.186 93 F HA -0.123 4.437 4.527 0.055 0.000 0.299 93 F C 2.510 178.085 175.800 -0.375 0.000 1.090 93 F CA 0.362 58.020 58.000 -0.570 0.000 1.307 93 F CB -0.469 37.585 39.000 -1.577 0.000 1.019 93 F HN -0.187 nan 8.300 nan 0.000 0.489 94 V N -0.656 119.332 119.914 0.123 0.000 2.295 94 V HA -0.338 3.815 4.120 0.056 0.000 0.246 94 V C 2.083 178.334 176.094 0.261 0.000 1.049 94 V CA 2.073 64.552 62.300 0.299 0.000 1.024 94 V CB -0.847 31.168 31.823 0.321 0.000 0.648 94 V HN 0.423 nan 8.190 nan 0.000 0.447 95 Y N 1.312 121.692 120.300 0.133 0.000 2.145 95 Y HA -0.248 4.335 4.550 0.055 0.000 0.286 95 Y C 2.708 178.686 175.900 0.131 0.000 1.145 95 Y CA 1.999 60.161 58.100 0.103 0.000 1.148 95 Y CB -0.432 38.061 38.460 0.054 0.000 0.981 95 Y HN 0.221 nan 8.280 nan 0.000 0.507 96 S N -0.396 115.400 115.700 0.160 0.000 2.356 96 S HA -0.195 4.308 4.470 0.056 0.000 0.223 96 S C 1.533 176.285 174.600 0.254 0.000 1.032 96 S CA 1.450 59.767 58.200 0.195 0.000 1.005 96 S CB -0.689 62.680 63.200 0.282 0.000 0.867 96 S HN 0.645 nan 8.310 nan 0.000 0.449 97 W N 2.235 123.560 121.300 0.042 0.000 2.402 97 W HA 0.039 4.731 4.660 0.053 0.000 0.286 97 W C 2.459 178.942 176.519 -0.059 0.000 1.221 97 W CA 0.002 57.377 57.345 0.051 0.000 1.257 97 W CB -1.135 28.462 29.460 0.228 0.000 1.120 97 W HN 0.405 nan 8.180 nan 0.000 0.551 98 Q N -0.177 119.712 119.800 0.148 0.000 2.084 98 Q HA -0.206 4.168 4.340 0.056 0.000 0.202 98 Q C 2.317 178.222 176.000 -0.159 0.000 0.978 98 Q CA 1.765 57.572 55.803 0.006 0.000 0.844 98 Q CB -0.435 28.301 28.738 -0.003 0.000 0.898 98 Q HN 0.251 nan 8.270 nan 0.000 0.426 99 R N 0.466 120.760 120.500 -0.343 0.000 2.096 99 R HA -0.167 4.207 4.340 0.056 0.000 0.235 99 R C 2.208 178.214 176.300 -0.490 0.000 1.127 99 R CA 0.923 56.764 56.100 -0.433 0.000 0.968 99 R CB -0.199 29.773 30.300 -0.547 0.000 0.861 99 R HN 0.220 nan 8.270 nan 0.000 0.440 100 L N 0.571 121.389 121.223 -0.675 0.000 2.046 100 L HA -0.053 4.321 4.340 0.056 0.000 0.208 100 L C 2.183 178.907 176.870 -0.244 0.000 1.077 100 L CA 2.209 56.710 54.840 -0.565 0.000 0.747 100 L CB -0.607 41.191 42.059 -0.433 0.000 0.896 100 L HN 0.224 nan 8.230 nan 0.000 0.432 101 A N -1.384 121.344 122.820 -0.154 0.000 2.014 101 A HA -0.127 4.226 4.320 0.056 0.000 0.218 101 A C 1.034 178.574 177.584 -0.074 0.000 1.163 101 A CA 0.719 52.708 52.037 -0.081 0.000 0.652 101 A CB -0.789 18.198 19.000 -0.021 0.000 0.808 101 A HN 0.515 nan 8.150 nan 0.000 0.449 102 D N 0.207 120.551 120.400 -0.093 0.000 2.434 102 D HA 0.093 4.767 4.640 0.056 0.000 0.252 102 D C -1.393 174.874 176.300 -0.056 0.000 1.185 102 D CA -1.845 52.115 54.000 -0.067 0.000 0.886 102 D CB 1.053 41.805 40.800 -0.080 0.000 1.148 102 D HN 0.080 nan 8.370 nan 0.000 0.483 103 P HA -0.152 nan 4.420 nan 0.000 0.217 103 P C 0.858 178.143 177.300 -0.024 0.000 1.148 103 P CA 0.819 63.901 63.100 -0.029 0.000 0.828 103 P CB 0.315 32.004 31.700 -0.018 0.000 0.783 104 N N -0.829 117.859 118.700 -0.020 0.000 2.364 104 N HA -0.068 4.705 4.740 0.056 0.000 0.183 104 N C 1.484 176.989 175.510 -0.008 0.000 1.022 104 N CA 1.291 54.335 53.050 -0.010 0.000 0.883 104 N CB -0.790 37.694 38.487 -0.004 0.000 0.965 104 N HN 0.208 nan 8.380 nan 0.000 0.438 105 T N 0.580 115.121 114.554 -0.022 0.000 2.951 105 T HA 0.104 4.487 4.350 0.056 0.000 0.268 105 T C 1.087 175.784 174.700 -0.006 0.000 1.073 105 T CA 0.817 62.911 62.100 -0.009 0.000 1.134 105 T CB -0.173 68.668 68.868 -0.045 0.000 0.884 105 T HN 0.376 nan 8.240 nan 0.000 0.479 106 A N 1.653 124.458 122.820 -0.026 0.000 2.745 106 A HA -0.156 4.197 4.320 0.056 0.000 0.296 106 A C 0.936 178.492 177.584 -0.046 0.000 1.500 106 A CA 0.673 52.688 52.037 -0.037 0.000 0.766 106 A CB -2.286 16.696 19.000 -0.030 0.000 1.030 106 A HN 0.519 nan 8.150 nan 0.000 0.489 107 S N 0.228 115.907 115.700 -0.034 0.000 2.562 107 S HA 0.451 4.955 4.470 0.056 0.000 0.281 107 S C -0.101 174.467 174.600 -0.053 0.000 1.333 107 S CA -0.577 57.618 58.200 -0.008 0.000 1.052 107 S CB 0.659 63.871 63.200 0.020 0.000 0.884 107 S HN 0.450 nan 8.310 nan 0.000 0.506 108 P HA -0.034 nan 4.420 nan 0.000 0.226 108 P C 0.055 177.287 177.300 -0.113 0.000 1.153 108 P CA 1.005 64.006 63.100 -0.165 0.000 0.777 108 P CB -0.052 31.535 31.700 -0.188 0.000 0.794 109 Y N -0.609 119.683 120.300 -0.013 0.000 2.658 109 Y HA 0.440 5.025 4.550 0.057 0.000 0.276 109 Y C 2.265 178.119 175.900 -0.076 0.000 1.167 109 Y CA -0.206 57.885 58.100 -0.015 0.000 1.230 109 Y CB -0.379 38.082 38.460 0.002 0.000 1.144 109 Y HN -0.057 nan 8.280 nan 0.000 0.529 110 A N -0.637 122.182 122.820 -0.002 0.000 1.908 110 A HA -0.207 4.146 4.320 0.056 0.000 0.218 110 A C 2.314 179.829 177.584 -0.115 0.000 1.181 110 A CA 2.232 54.233 52.037 -0.059 0.000 0.627 110 A CB -0.700 18.259 19.000 -0.067 0.000 0.818 110 A HN 0.330 nan 8.150 nan 0.000 0.445 111 S N -1.782 113.807 115.700 -0.185 0.000 2.537 111 S HA -0.096 4.407 4.470 0.056 0.000 0.240 111 S C 1.462 175.569 174.600 -0.821 0.000 0.981 111 S CA 0.740 58.707 58.200 -0.388 0.000 0.948 111 S CB -0.530 62.479 63.200 -0.319 0.000 0.759 111 S HN 0.632 nan 8.310 nan 0.000 0.531 112 Y N 2.075 121.979 120.300 -0.661 0.000 2.274 112 Y HA -0.052 4.531 4.550 0.054 0.000 0.290 112 Y C 1.657 177.323 175.900 -0.388 0.000 1.145 112 Y CA 0.977 58.746 58.100 -0.552 0.000 1.203 112 Y CB -0.281 38.075 38.460 -0.173 0.000 0.984 112 Y HN 0.239 nan 8.280 nan 0.000 0.533 113 L N -0.793 120.281 121.223 -0.248 0.000 2.313 113 L HA -0.177 4.197 4.340 0.056 0.000 0.214 113 L C 2.149 178.907 176.870 -0.187 0.000 1.119 113 L CA 0.940 55.665 54.840 -0.192 0.000 0.809 113 L CB -0.421 41.575 42.059 -0.105 0.000 0.933 113 L HN 0.232 nan 8.230 nan 0.000 0.449 114 Q N -1.008 118.646 119.800 -0.244 0.000 2.137 114 Q HA -0.138 4.235 4.340 0.056 0.000 0.198 114 Q C 2.078 177.877 176.000 -0.335 0.000 0.960 114 Q CA 1.096 56.769 55.803 -0.216 0.000 0.847 114 Q CB -0.069 28.607 28.738 -0.103 0.000 0.915 114 Q HN 0.422 nan 8.270 nan 0.000 0.448 115 Y N 0.157 120.263 120.300 -0.323 0.000 2.224 115 Y HA -0.073 4.510 4.550 0.055 0.000 0.289 115 Y C 2.400 178.084 175.900 -0.359 0.000 1.146 115 Y CA 1.132 59.049 58.100 -0.304 0.000 1.182 115 Y CB -1.063 37.286 38.460 -0.186 0.000 0.983 115 Y HN 0.143 nan 8.280 nan 0.000 0.524 116 G N -2.431 106.260 108.800 -0.181 0.000 2.880 116 G HA2 -0.043 3.950 3.960 0.056 0.000 0.209 116 G HA3 -0.043 3.950 3.960 0.056 0.000 0.209 116 G C -0.300 174.643 174.900 0.071 0.000 1.157 116 G CA 0.301 45.427 45.100 0.043 0.000 0.779 116 G HN 0.652 nan 8.290 nan 0.000 0.539 117 H N -1.555 117.543 119.070 0.047 0.000 2.839 117 H HA -0.135 4.454 4.556 0.055 0.000 0.298 117 H C -0.000 175.327 175.328 -0.002 0.000 1.224 117 H CA -0.078 55.985 56.048 0.025 0.000 1.144 117 H CB -2.087 27.688 29.762 0.021 0.000 1.372 117 H HN 0.294 nan 8.280 nan 0.000 0.408 118 I N 0.850 121.459 120.570 0.065 0.000 2.710 118 I HA 0.105 4.308 4.170 0.056 0.000 0.286 118 I C 1.294 177.457 176.117 0.076 0.000 1.181 118 I CA 0.942 62.287 61.300 0.075 0.000 1.430 118 I CB 0.308 38.401 38.000 0.154 0.000 1.367 118 I HN 0.494 nan 8.210 nan 0.000 0.577 119 A N 5.890 128.748 122.820 0.063 0.000 2.561 119 A HA 0.085 4.439 4.320 0.056 0.000 0.234 119 A C 1.150 178.769 177.584 0.058 0.000 1.055 119 A CA 0.138 52.209 52.037 0.056 0.000 0.756 119 A CB -0.306 18.717 19.000 0.039 0.000 0.986 119 A HN 0.907 nan 8.150 nan 0.000 0.505 120 N N -0.529 118.202 118.700 0.051 0.000 2.863 120 N HA -0.226 4.547 4.740 0.056 0.000 0.245 120 N C 0.585 176.120 175.510 0.042 0.000 1.001 120 N CA 1.218 54.294 53.050 0.044 0.000 0.901 120 N CB -1.389 37.122 38.487 0.041 0.000 1.124 120 N HN 0.789 nan 8.380 nan 0.000 0.582 121 I N 1.690 122.287 120.570 0.044 0.000 2.226 121 I HA -0.173 4.030 4.170 0.056 0.000 0.245 121 I C 1.693 177.821 176.117 0.019 0.000 1.100 121 I CA 1.792 63.108 61.300 0.027 0.000 1.374 121 I CB -0.097 37.911 38.000 0.013 0.000 1.057 121 I HN 0.046 nan 8.210 nan 0.000 0.413 122 D N 0.685 121.103 120.400 0.029 0.000 2.104 122 D HA -0.197 4.476 4.640 0.056 0.000 0.194 122 D C 1.834 178.146 176.300 0.021 0.000 0.994 122 D CA 1.577 55.593 54.000 0.027 0.000 0.830 122 D CB -0.442 40.383 40.800 0.041 0.000 0.959 122 D HN 0.375 nan 8.370 nan 0.000 0.452 123 D N 0.010 120.424 120.400 0.023 0.000 2.178 123 D HA -0.056 4.618 4.640 0.056 0.000 0.201 123 D C 2.262 178.571 176.300 0.014 0.000 0.980 123 D CA 0.303 54.314 54.000 0.019 0.000 0.842 123 D CB -0.160 40.652 40.800 0.021 0.000 0.948 123 D HN 0.281 nan 8.370 nan 0.000 0.472 124 I N 0.419 120.997 120.570 0.015 0.000 2.202 124 I HA -0.192 4.012 4.170 0.056 0.000 0.242 124 I C 2.347 178.464 176.117 -0.000 0.000 1.091 124 I CA 0.613 61.918 61.300 0.009 0.000 1.368 124 I CB -0.085 37.922 38.000 0.012 0.000 1.058 124 I HN -0.046 nan 8.210 nan 0.000 0.410 125 I N 1.000 121.568 120.570 -0.003 0.000 2.208 125 I HA -0.286 3.918 4.170 0.056 0.000 0.245 125 I C 2.512 178.626 176.117 -0.004 0.000 1.097 125 I CA 1.446 62.739 61.300 -0.010 0.000 1.363 125 I CB -0.393 37.598 38.000 -0.015 0.000 1.051 125 I HN 0.190 nan 8.210 nan 0.000 0.413 126 A N 0.141 122.963 122.820 0.003 0.000 2.235 126 A HA 0.242 4.596 4.320 0.056 0.000 0.208 126 A C 1.840 179.427 177.584 0.005 0.000 1.172 126 A CA 0.847 52.887 52.037 0.005 0.000 0.786 126 A CB -0.632 18.373 19.000 0.010 0.000 0.804 126 A HN 0.611 nan 8.150 nan 0.000 0.479 127 G N -0.539 108.263 108.800 0.004 0.000 2.143 127 G HA2 -0.297 3.697 3.960 0.056 0.000 0.249 127 G HA3 -0.297 3.697 3.960 0.056 0.000 0.249 127 G C 0.860 175.764 174.900 0.007 0.000 0.981 127 G CA 0.777 45.880 45.100 0.004 0.000 0.665 127 G HN 0.566 nan 8.290 nan 0.000 0.528 128 K N -0.451 119.954 120.400 0.009 0.000 2.243 128 K HA 0.134 4.487 4.320 0.056 0.000 0.201 128 K C 0.983 177.590 176.600 0.012 0.000 1.051 128 K CA 0.732 57.025 56.287 0.011 0.000 0.970 128 K CB 0.213 32.720 32.500 0.012 0.000 0.755 128 K HN 0.322 nan 8.250 nan 0.000 0.465 129 K N 1.147 121.555 120.400 0.013 0.000 2.426 129 K HA 0.310 4.664 4.320 0.056 0.000 0.251 129 K C -2.804 173.805 176.600 0.015 0.000 0.941 129 K CA -2.207 54.089 56.287 0.016 0.000 0.808 129 K CB 2.137 34.648 32.500 0.020 0.000 1.265 129 K HN -0.177 nan 8.250 nan 0.000 0.432 130 P HA 0.017 nan 4.420 nan 0.000 0.272 130 P C 0.072 177.384 177.300 0.020 0.000 1.223 130 P CA -0.042 63.068 63.100 0.016 0.000 0.784 130 P CB 0.937 32.648 31.700 0.019 0.000 0.923 131 A N 2.458 125.286 122.820 0.014 0.000 2.070 131 A HA -0.149 4.205 4.320 0.056 0.000 0.220 131 A C 1.876 179.482 177.584 0.038 0.000 1.159 131 A CA 2.175 54.222 52.037 0.017 0.000 0.656 131 A CB -1.884 17.110 19.000 -0.009 0.000 0.800 131 A HN 0.681 nan 8.150 nan 0.000 0.453 132 T N -2.616 111.963 114.554 0.041 0.000 3.025 132 T HA -0.090 4.293 4.350 0.056 0.000 0.270 132 T C 0.769 175.503 174.700 0.057 0.000 1.126 132 T CA 1.375 63.509 62.100 0.057 0.000 1.105 132 T CB -0.331 68.569 68.868 0.053 0.000 0.884 132 T HN 0.340 nan 8.240 nan 0.000 0.522 133 D N 0.388 120.816 120.400 0.048 0.000 2.340 133 D HA 0.233 4.906 4.640 0.056 0.000 0.220 133 D C 0.489 176.822 176.300 0.055 0.000 1.039 133 D CA -0.256 53.771 54.000 0.045 0.000 0.866 133 D CB -0.299 40.522 40.800 0.035 0.000 0.913 133 D HN 0.333 nan 8.370 nan 0.000 0.523 134 L N 0.660 121.925 121.223 0.071 0.000 2.506 134 L HA 0.215 4.589 4.340 0.056 0.000 0.281 134 L C 1.253 178.177 176.870 0.090 0.000 1.228 134 L CA 0.267 55.163 54.840 0.094 0.000 0.850 134 L CB 0.709 42.851 42.059 0.138 0.000 1.110 134 L HN 0.033 nan 8.230 nan 0.000 0.496 135 G N 5.166 114.018 108.800 0.087 0.000 3.284 135 G HA2 0.436 4.430 3.960 0.056 0.000 0.251 135 G HA3 0.436 4.430 3.960 0.056 0.000 0.251 135 G C -0.511 174.408 174.900 0.031 0.000 0.913 135 G CA 0.370 45.502 45.100 0.054 0.000 1.947 135 G HN 0.739 nan 8.290 nan 0.000 0.635 136 V N -1.859 118.069 119.914 0.023 0.000 2.962 136 V HA 0.986 5.139 4.120 0.056 0.000 0.313 136 V C -0.691 175.365 176.094 -0.063 0.000 1.099 136 V CA -1.478 60.760 62.300 -0.104 0.000 0.971 136 V CB 2.084 33.910 31.823 0.005 0.000 1.028 136 V HN 0.573 nan 8.190 nan 0.000 0.430 137 K N 2.265 122.566 120.400 -0.164 0.000 2.587 137 K HA 0.855 5.208 4.320 0.056 0.000 0.276 137 K C -1.131 175.466 176.600 -0.005 0.000 0.956 137 K CA -0.426 55.851 56.287 -0.018 0.000 0.857 137 K CB 2.186 34.677 32.500 -0.015 0.000 1.431 137 K HN 1.437 nan 8.250 nan 0.000 0.420 138 A N 3.309 126.177 122.820 0.080 0.000 2.269 138 A HA 0.396 4.749 4.320 0.056 0.000 0.302 138 A C 0.641 178.230 177.584 0.009 0.000 1.266 138 A CA -0.934 51.111 52.037 0.013 0.000 0.894 138 A CB -0.165 18.692 19.000 -0.238 0.000 1.147 138 A HN 0.779 nan 8.150 nan 0.000 0.537 139 L N 1.044 122.265 121.223 -0.004 0.000 2.313 139 L HA 0.116 4.489 4.340 0.056 0.000 0.214 139 L C 0.474 177.360 176.870 0.027 0.000 1.119 139 L CA 0.836 55.684 54.840 0.013 0.000 0.809 139 L CB -0.483 41.578 42.059 0.002 0.000 0.933 139 L HN 0.929 nan 8.230 nan 0.000 0.449 140 D N -4.474 115.925 120.400 -0.001 0.000 2.851 140 D HA 0.051 4.724 4.640 0.056 0.000 0.339 140 D C -0.076 176.154 176.300 -0.116 0.000 1.347 140 D CA -0.611 53.391 54.000 0.003 0.000 0.888 140 D CB 0.164 40.980 40.800 0.027 0.000 1.431 140 D HN -0.340 nan 8.370 nan 0.000 0.509 141 D N -1.503 118.806 120.400 -0.152 0.000 2.264 141 D HA -0.068 4.606 4.640 0.056 0.000 0.208 141 D C 0.518 176.576 176.300 -0.403 0.000 0.966 141 D CA 1.168 54.975 54.000 -0.321 0.000 0.864 141 D CB -0.055 40.511 40.800 -0.391 0.000 0.933 141 D HN 0.380 nan 8.370 nan 0.000 0.499 142 H N -1.089 117.998 119.070 0.029 0.000 2.528 142 H HA 0.298 4.887 4.556 0.056 0.000 0.282 142 H C -0.179 175.175 175.328 0.044 0.000 1.097 142 H CA 0.106 56.178 56.048 0.040 0.000 1.121 142 H CB 0.416 30.211 29.762 0.055 0.000 1.590 142 H HN -0.130 nan 8.280 nan 0.000 0.553 143 T N 1.356 115.961 114.554 0.085 0.000 2.965 143 T HA 0.221 4.604 4.350 0.056 0.000 0.306 143 T C -1.120 173.626 174.700 0.077 0.000 0.991 143 T CA -0.520 61.612 62.100 0.052 0.000 1.001 143 T CB 1.170 70.057 68.868 0.032 0.000 0.984 143 T HN 0.049 nan 8.240 nan 0.000 0.446 144 F N 2.934 122.836 119.950 -0.080 0.000 2.426 144 F HA 0.574 5.134 4.527 0.055 0.000 0.348 144 F C 0.023 175.848 175.800 0.043 0.000 1.124 144 F CA -1.069 56.884 58.000 -0.078 0.000 1.008 144 F CB 1.074 39.945 39.000 -0.216 0.000 1.139 144 F HN 0.504 nan 8.300 nan 0.000 0.452 145 E N 5.624 125.570 120.200 -0.424 0.000 2.176 145 E HA 0.557 4.940 4.350 0.056 0.000 0.267 145 E C -1.783 174.535 176.600 -0.470 0.000 0.893 145 E CA -0.725 55.486 56.400 -0.314 0.000 0.761 145 E CB 1.805 31.400 29.700 -0.175 0.000 1.133 145 E HN 0.505 nan 8.360 nan 0.000 0.409 146 V N 3.536 123.317 119.914 -0.222 0.000 2.459 146 V HA 0.366 4.520 4.120 0.056 0.000 0.295 146 V C -0.163 175.923 176.094 -0.014 0.000 1.029 146 V CA -0.621 61.602 62.300 -0.129 0.000 0.874 146 V CB 1.907 33.791 31.823 0.101 0.000 0.985 146 V HN 0.710 nan 8.190 nan 0.000 0.438 147 T N 6.426 120.962 114.554 -0.029 0.000 2.786 147 T HA 0.630 5.013 4.350 0.056 0.000 0.283 147 T C -0.253 174.442 174.700 -0.008 0.000 0.992 147 T CA -0.272 61.822 62.100 -0.009 0.000 0.954 147 T CB 0.732 69.591 68.868 -0.015 0.000 0.934 147 T HN 0.350 nan 8.240 nan 0.000 0.440 148 L N 1.986 123.205 121.223 -0.007 0.000 2.387 148 L HA 0.453 4.827 4.340 0.056 0.000 0.266 148 L C 1.628 178.514 176.870 0.028 0.000 1.059 148 L CA -0.808 54.028 54.840 -0.006 0.000 0.801 148 L CB 1.162 43.200 42.059 -0.036 0.000 1.223 148 L HN 0.713 nan 8.230 nan 0.000 0.456 149 S N -1.174 114.556 115.700 0.051 0.000 2.593 149 S HA 0.078 4.581 4.470 0.056 0.000 0.217 149 S C 0.168 174.774 174.600 0.010 0.000 0.966 149 S CA -0.174 58.048 58.200 0.038 0.000 0.914 149 S CB -0.330 62.906 63.200 0.059 0.000 0.776 149 S HN 0.783 nan 8.310 nan 0.000 0.523 150 E N -0.647 119.553 120.200 0.000 0.000 2.409 150 E HA 0.411 4.794 4.350 0.056 0.000 0.280 150 E C -3.582 173.028 176.600 0.017 0.000 1.079 150 E CA -2.480 53.906 56.400 -0.022 0.000 0.840 150 E CB 0.147 29.791 29.700 -0.092 0.000 1.309 150 E HN -0.056 nan 8.360 nan 0.000 0.447 151 P HA 0.122 nan 4.420 nan 0.000 0.271 151 P C -0.716 176.637 177.300 0.088 0.000 1.226 151 P CA -0.247 62.948 63.100 0.159 0.000 0.765 151 P CB 0.649 32.473 31.700 0.207 0.000 0.835 152 V N 6.811 126.821 119.914 0.159 0.000 2.380 152 V HA 0.175 4.329 4.120 0.056 0.000 0.272 152 V C -1.649 174.437 176.094 -0.012 0.000 1.011 152 V CA -1.283 60.958 62.300 -0.099 0.000 0.826 152 V CB 1.589 33.327 31.823 -0.142 0.000 1.040 152 V HN 0.422 nan 8.190 nan 0.000 0.441 153 P HA -0.116 nan 4.420 nan 0.000 0.220 153 P C 0.974 178.380 177.300 0.176 0.000 1.148 153 P CA 1.198 64.117 63.100 -0.303 0.000 0.803 153 P CB -0.020 31.238 31.700 -0.736 0.000 0.782 154 Y N -4.329 116.041 120.300 0.117 0.000 2.470 154 Y HA 0.336 4.919 4.550 0.055 0.000 0.284 154 Y C 1.775 177.536 175.900 -0.231 0.000 1.188 154 Y CA -1.137 56.949 58.100 -0.024 0.000 1.269 154 Y CB -1.500 36.948 38.460 -0.020 0.000 1.094 154 Y HN -0.224 nan 8.280 nan 0.000 0.518 155 F N 2.407 122.081 119.950 -0.460 0.000 2.091 155 F HA -0.297 4.265 4.527 0.059 0.000 0.299 155 F C 2.428 177.862 175.800 -0.609 0.000 1.103 155 F CA 1.885 59.499 58.000 -0.644 0.000 1.228 155 F CB -0.856 37.579 39.000 -0.941 0.000 0.984 155 F HN 0.306 nan 8.300 nan 0.000 0.477 156 Y N 0.189 120.074 120.300 -0.692 0.000 2.256 156 Y HA -0.140 4.440 4.550 0.051 0.000 0.288 156 Y C 2.040 177.739 175.900 -0.336 0.000 1.155 156 Y CA 1.507 59.299 58.100 -0.514 0.000 1.203 156 Y CB -1.515 36.836 38.460 -0.182 0.000 0.980 156 Y HN 0.047 nan 8.280 nan 0.000 0.530 157 K N 0.194 119.962 120.400 -1.052 0.000 2.152 157 K HA -0.123 4.231 4.320 0.056 0.000 0.206 157 K C 1.719 178.121 176.600 -0.331 0.000 1.048 157 K CA 1.509 57.460 56.287 -0.560 0.000 0.933 157 K CB -0.303 31.958 32.500 -0.399 0.000 0.721 157 K HN 0.277 nan 8.250 nan 0.000 0.447 158 L N 0.764 121.647 121.223 -0.567 0.000 2.201 158 L HA -0.120 4.254 4.340 0.056 0.000 0.212 158 L C 1.790 178.590 176.870 -0.117 0.000 1.105 158 L CA 1.371 55.938 54.840 -0.456 0.000 0.775 158 L CB -0.365 41.188 42.059 -0.845 0.000 0.913 158 L HN 0.151 nan 8.230 nan 0.000 0.440 159 L N -0.705 120.354 121.223 -0.273 0.000 2.549 159 L HA -0.077 4.296 4.340 0.056 0.000 0.229 159 L C 2.069 178.944 176.870 0.008 0.000 1.158 159 L CA 0.288 55.041 54.840 -0.145 0.000 0.842 159 L CB -0.660 41.223 42.059 -0.294 0.000 0.952 159 L HN 0.276 nan 8.230 nan 0.000 0.452 160 V N -4.512 115.438 119.914 0.060 0.000 3.461 160 V HA -0.036 4.118 4.120 0.056 0.000 0.267 160 V C 1.338 177.491 176.094 0.099 0.000 1.186 160 V CA 0.178 62.552 62.300 0.123 0.000 1.154 160 V CB -0.976 30.945 31.823 0.164 0.000 0.802 160 V HN 0.351 nan 8.190 nan 0.000 0.474 161 H N 1.626 120.668 119.070 -0.046 0.000 2.652 161 H HA 0.217 4.806 4.556 0.054 0.000 0.349 161 H C -1.743 173.426 175.328 -0.264 0.000 1.099 161 H CA -1.298 54.610 56.048 -0.234 0.000 1.417 161 H CB 2.069 31.528 29.762 -0.505 0.000 1.457 161 H HN 0.102 nan 8.280 nan 0.000 0.568 162 P HA -0.194 nan 4.420 nan 0.000 0.216 162 P C 1.609 178.684 177.300 -0.374 0.000 1.150 162 P CA 2.024 64.814 63.100 -0.517 0.000 0.843 162 P CB 0.082 31.453 31.700 -0.548 0.000 0.787 163 S N -0.690 114.743 115.700 -0.447 0.000 2.419 163 S HA -0.114 4.389 4.470 0.056 0.000 0.233 163 S C 1.602 176.162 174.600 -0.065 0.000 1.016 163 S CA 1.490 59.592 58.200 -0.164 0.000 0.974 163 S CB -1.673 61.410 63.200 -0.195 0.000 0.786 163 S HN 0.149 nan 8.310 nan 0.000 0.492 164 V N -0.867 118.989 119.914 -0.097 0.000 3.421 164 V HA 0.400 4.553 4.120 0.056 0.000 0.316 164 V C 0.456 176.763 176.094 0.355 0.000 1.347 164 V CA -0.542 61.739 62.300 -0.032 0.000 1.183 164 V CB -0.907 30.781 31.823 -0.226 0.000 1.092 164 V HN 0.294 nan 8.190 nan 0.000 0.433 165 S N 3.202 118.998 115.700 0.160 0.000 2.601 165 S HA 0.463 4.967 4.470 0.056 0.000 0.271 165 S C -2.213 172.399 174.600 0.020 0.000 1.305 165 S CA -0.557 57.730 58.200 0.146 0.000 1.022 165 S CB 1.110 64.356 63.200 0.077 0.000 0.940 165 S HN 0.482 nan 8.310 nan 0.000 0.525 166 P HA 0.312 nan 4.420 nan 0.000 0.277 166 P C -0.968 176.390 177.300 0.096 0.000 1.240 166 P CA -0.406 62.553 63.100 -0.235 0.000 0.798 166 P CB 0.700 32.044 31.700 -0.594 0.000 0.979 167 V N -1.662 118.305 119.914 0.087 0.000 2.876 167 V HA 0.627 4.781 4.120 0.056 0.000 0.312 167 V C -2.729 173.230 176.094 -0.226 0.000 1.085 167 V CA -2.989 59.239 62.300 -0.118 0.000 0.945 167 V CB 1.871 33.442 31.823 -0.420 0.000 1.017 167 V HN 0.354 nan 8.190 nan 0.000 0.428 168 P HA 0.237 nan 4.420 nan 0.000 0.277 168 P C 0.337 177.250 177.300 -0.645 0.000 1.354 168 P CA -0.182 62.412 63.100 -0.844 0.000 0.891 168 P CB 1.371 32.517 31.700 -0.923 0.000 1.058 169 K N 3.436 123.449 120.400 -0.645 0.000 2.059 169 K HA -0.213 4.140 4.320 0.056 0.000 0.212 169 K C 1.914 178.209 176.600 -0.508 0.000 1.050 169 K CA 2.500 58.289 56.287 -0.830 0.000 0.927 169 K CB -0.285 31.492 32.500 -1.205 0.000 0.714 169 K HN 0.435 nan 8.250 nan 0.000 0.447 170 S N 0.145 115.599 115.700 -0.410 0.000 2.382 170 S HA -0.140 4.364 4.470 0.056 0.000 0.228 170 S C 2.184 176.671 174.600 -0.189 0.000 1.027 170 S CA 1.078 59.118 58.200 -0.267 0.000 0.991 170 S CB -0.442 62.632 63.200 -0.209 0.000 0.823 170 S HN 0.434 nan 8.310 nan 0.000 0.469 171 A N 1.473 124.206 122.820 -0.145 0.000 1.898 171 A HA 0.131 4.484 4.320 0.056 0.000 0.216 171 A C 2.434 180.064 177.584 0.076 0.000 1.181 171 A CA 1.434 53.547 52.037 0.126 0.000 0.620 171 A CB -1.101 18.022 19.000 0.206 0.000 0.819 171 A HN 0.441 nan 8.150 nan 0.000 0.442 172 V N 0.067 119.802 119.914 -0.298 0.000 2.255 172 V HA -0.298 3.856 4.120 0.056 0.000 0.247 172 V C 2.453 178.494 176.094 -0.089 0.000 1.051 172 V CA 2.456 64.546 62.300 -0.350 0.000 1.018 172 V CB -0.826 30.703 31.823 -0.489 0.000 0.641 172 V HN 0.646 nan 8.190 nan 0.000 0.445 173 E N -0.400 119.722 120.200 -0.131 0.000 2.106 173 E HA -0.242 4.141 4.350 0.056 0.000 0.192 173 E C 2.293 178.810 176.600 -0.138 0.000 0.984 173 E CA 1.304 57.643 56.400 -0.101 0.000 0.806 173 E CB -0.092 29.532 29.700 -0.127 0.000 0.750 173 E HN 0.532 nan 8.360 nan 0.000 0.458 174 K N -0.236 120.017 120.400 -0.246 0.000 2.167 174 K HA -0.065 4.288 4.320 0.056 0.000 0.203 174 K C 1.004 177.244 176.600 -0.599 0.000 1.052 174 K CA 0.969 56.958 56.287 -0.497 0.000 0.956 174 K CB 0.169 32.203 32.500 -0.776 0.000 0.735 174 K HN 0.041 nan 8.250 nan 0.000 0.451 175 F N 0.064 120.058 119.950 0.073 0.000 2.704 175 F HA 0.322 4.883 4.527 0.056 0.000 0.304 175 F C 1.394 177.282 175.800 0.147 0.000 1.094 175 F CA 0.224 58.294 58.000 0.116 0.000 1.275 175 F CB 0.407 39.504 39.000 0.161 0.000 1.073 175 F HN 0.253 nan 8.300 nan 0.000 0.586 176 G N 1.877 110.840 108.800 0.271 0.000 2.611 176 G HA2 -0.452 3.541 3.960 0.056 0.000 0.301 176 G HA3 -0.452 3.541 3.960 0.056 0.000 0.301 176 G C 1.029 176.144 174.900 0.359 0.000 1.233 176 G CA 0.704 45.949 45.100 0.241 0.000 0.993 176 G HN 0.366 nan 8.290 nan 0.000 0.553 177 D N 0.617 121.165 120.400 0.247 0.000 2.315 177 D HA -0.091 4.583 4.640 0.056 0.000 0.211 177 D C 1.690 178.082 176.300 0.152 0.000 0.977 177 D CA 1.810 55.930 54.000 0.201 0.000 0.894 177 D CB -0.224 40.645 40.800 0.115 0.000 0.910 177 D HN 0.623 nan 8.370 nan 0.000 0.490 178 K N 0.258 120.770 120.400 0.187 0.000 2.446 178 K HA 0.083 4.436 4.320 0.056 0.000 0.203 178 K C 1.462 178.145 176.600 0.138 0.000 1.027 178 K CA -0.353 55.998 56.287 0.106 0.000 1.166 178 K CB -0.099 32.462 32.500 0.102 0.000 0.869 178 K HN 0.394 nan 8.250 nan 0.000 0.504 179 W N 1.089 122.477 121.300 0.147 0.000 2.465 179 W HA -0.127 4.566 4.660 0.054 0.000 0.268 179 W C 0.892 177.465 176.519 0.091 0.000 1.242 179 W CA 1.423 58.854 57.345 0.142 0.000 1.248 179 W CB -0.815 28.757 29.460 0.187 0.000 1.118 179 W HN -0.049 nan 8.180 nan 0.000 0.587 180 T N -0.866 113.361 114.554 -0.544 0.000 3.129 180 T HA 0.008 4.392 4.350 0.056 0.000 0.251 180 T C 0.894 175.547 174.700 -0.079 0.000 1.117 180 T CA 0.068 61.859 62.100 -0.514 0.000 1.034 180 T CB -0.169 68.313 68.868 -0.643 0.000 0.968 180 T HN -0.060 nan 8.240 nan 0.000 0.526 181 Q N 1.804 121.574 119.800 -0.050 0.000 2.432 181 Q HA 0.177 4.550 4.340 0.056 0.000 0.264 181 Q C -1.617 174.376 176.000 -0.011 0.000 1.035 181 Q CA -1.900 53.897 55.803 -0.009 0.000 0.908 181 Q CB 0.943 29.630 28.738 -0.085 0.000 1.280 181 Q HN 0.133 nan 8.270 nan 0.000 0.455 182 P HA -0.203 nan 4.420 nan 0.000 0.216 182 P C 0.683 177.969 177.300 -0.022 0.000 1.154 182 P CA 2.215 65.327 63.100 0.020 0.000 0.865 182 P CB 0.168 31.890 31.700 0.038 0.000 0.789 183 A N -1.096 121.685 122.820 -0.064 0.000 2.067 183 A HA -0.143 4.210 4.320 0.056 0.000 0.219 183 A C 1.844 179.324 177.584 -0.174 0.000 1.158 183 A CA 1.551 53.530 52.037 -0.097 0.000 0.661 183 A CB -0.800 18.135 19.000 -0.109 0.000 0.801 183 A HN 0.177 nan 8.150 nan 0.000 0.452 184 N N -1.155 117.397 118.700 -0.247 0.000 2.407 184 N HA 0.171 4.945 4.740 0.056 0.000 0.182 184 N C 0.475 175.961 175.510 -0.040 0.000 1.079 184 N CA -0.165 52.655 53.050 -0.383 0.000 0.882 184 N CB 0.129 38.129 38.487 -0.812 0.000 1.106 184 N HN 0.513 nan 8.380 nan 0.000 0.461 185 I N 2.007 122.603 120.570 0.043 0.000 2.692 185 I HA -0.002 4.202 4.170 0.056 0.000 0.284 185 I C -0.691 175.551 176.117 0.207 0.000 1.159 185 I CA -0.029 61.394 61.300 0.204 0.000 1.423 185 I CB 0.679 38.736 38.000 0.094 0.000 1.380 185 I HN -0.296 nan 8.210 nan 0.000 0.580 186 V N 6.029 126.134 119.914 0.319 0.000 2.487 186 V HA 0.462 4.615 4.120 0.056 0.000 0.298 186 V C -0.057 176.297 176.094 0.434 0.000 1.028 186 V CA -0.480 61.971 62.300 0.251 0.000 0.860 186 V CB 1.659 33.516 31.823 0.056 0.000 0.991 186 V HN 0.865 nan 8.190 nan 0.000 0.427 187 T N 0.097 114.876 114.554 0.376 0.000 2.916 187 T HA 0.469 4.853 4.350 0.056 0.000 0.292 187 T C 0.211 175.095 174.700 0.307 0.000 1.055 187 T CA -0.692 61.548 62.100 0.233 0.000 1.009 187 T CB 2.077 70.783 68.868 -0.271 0.000 1.118 187 T HN 0.636 nan 8.240 nan 0.000 0.497 188 N N -0.167 118.576 118.700 0.072 0.000 2.170 188 N HA 0.215 4.988 4.740 0.056 0.000 0.222 188 N C 0.617 176.116 175.510 -0.019 0.000 1.218 188 N CA -0.356 52.639 53.050 -0.091 0.000 0.889 188 N CB 0.382 38.498 38.487 -0.619 0.000 1.083 188 N HN 0.810 nan 8.380 nan 0.000 0.520 189 G N -0.018 108.696 108.800 -0.143 0.000 2.510 189 G HA2 0.514 4.507 3.960 0.056 0.000 0.280 189 G HA3 0.514 4.507 3.960 0.056 0.000 0.280 189 G C 0.839 175.326 174.900 -0.688 0.000 1.386 189 G CA -0.012 44.891 45.100 -0.328 0.000 1.047 189 G HN 0.208 nan 8.290 nan 0.000 0.527 190 A N -1.681 120.551 122.820 -0.980 0.000 2.067 190 A HA 0.244 4.597 4.320 0.056 0.000 0.219 190 A C 0.456 177.513 177.584 -0.877 0.000 1.158 190 A CA 0.934 52.329 52.037 -1.070 0.000 0.661 190 A CB -0.369 18.144 19.000 -0.812 0.000 0.801 190 A HN 0.462 nan 8.150 nan 0.000 0.452 191 Y N -1.175 118.983 120.300 -0.237 0.000 2.621 191 Y HA 0.593 5.174 4.550 0.052 0.000 0.334 191 Y C 0.313 176.132 175.900 -0.136 0.000 1.074 191 Y CA -0.931 57.087 58.100 -0.137 0.000 1.149 191 Y CB 1.452 39.851 38.460 -0.100 0.000 1.302 191 Y HN -0.074 nan 8.280 nan 0.000 0.501 192 K N 0.926 121.361 120.400 0.059 0.000 2.340 192 K HA 0.528 4.882 4.320 0.056 0.000 0.244 192 K C -1.763 174.847 176.600 0.017 0.000 0.973 192 K CA -1.214 55.078 56.287 0.008 0.000 0.828 192 K CB 2.489 35.004 32.500 0.024 0.000 1.226 192 K HN 0.391 nan 8.250 nan 0.000 0.437 193 L N 2.270 123.485 121.223 -0.014 0.000 2.290 193 L HA 0.194 4.567 4.340 0.056 0.000 0.284 193 L C 0.932 177.818 176.870 0.026 0.000 1.078 193 L CA 0.613 55.447 54.840 -0.010 0.000 0.815 193 L CB 0.797 42.838 42.059 -0.030 0.000 1.162 193 L HN 0.685 nan 8.230 nan 0.000 0.435 194 K N 3.200 123.623 120.400 0.037 0.000 2.190 194 K HA 0.233 4.586 4.320 0.056 0.000 0.202 194 K C -0.209 176.424 176.600 0.055 0.000 1.045 194 K CA 0.271 56.585 56.287 0.044 0.000 0.976 194 K CB 0.442 32.968 32.500 0.043 0.000 0.849 194 K HN 0.723 nan 8.250 nan 0.000 0.468 195 N N -0.626 118.118 118.700 0.074 0.000 2.264 195 N HA 0.111 4.885 4.740 0.056 0.000 0.288 195 N C -2.091 173.536 175.510 0.195 0.000 1.094 195 N CA -0.478 52.634 53.050 0.104 0.000 0.817 195 N CB 1.631 40.164 38.487 0.076 0.000 1.604 195 N HN 0.094 nan 8.380 nan 0.000 0.473 196 W N 2.846 124.129 121.300 -0.028 0.000 2.604 196 W HA 0.425 5.120 4.660 0.059 0.000 0.302 196 W C -2.001 174.501 176.519 -0.029 0.000 1.013 196 W CA -0.659 56.667 57.345 -0.033 0.000 1.338 196 W CB 0.292 29.722 29.460 -0.050 0.000 1.233 196 W HN 0.103 nan 8.180 nan 0.000 0.390 197 V N 6.914 126.972 119.914 0.239 0.000 2.294 197 V HA 0.206 4.359 4.120 0.056 0.000 0.272 197 V C 0.400 176.546 176.094 0.086 0.000 1.027 197 V CA -0.918 61.417 62.300 0.057 0.000 0.823 197 V CB 0.900 32.755 31.823 0.053 0.000 1.030 197 V HN 0.197 nan 8.190 nan 0.000 0.457 198 V N 5.715 125.581 119.914 -0.081 0.000 2.617 198 V HA 0.011 4.165 4.120 0.056 0.000 0.304 198 V C 1.242 177.363 176.094 0.045 0.000 1.040 198 V CA 0.808 63.107 62.300 -0.002 0.000 1.149 198 V CB -0.478 31.254 31.823 -0.152 0.000 0.914 198 V HN 1.149 nan 8.190 nan 0.000 0.487 199 N N 2.258 121.014 118.700 0.093 0.000 2.741 199 N HA -0.198 4.575 4.740 0.056 0.000 0.251 199 N C 0.820 176.358 175.510 0.048 0.000 1.112 199 N CA 1.207 54.292 53.050 0.060 0.000 0.750 199 N CB -0.442 38.065 38.487 0.034 0.000 1.119 199 N HN 0.894 nan 8.380 nan 0.000 0.561 200 E N -0.655 119.585 120.200 0.068 0.000 3.441 200 E HA 0.211 4.595 4.350 0.056 0.000 0.195 200 E C 0.156 176.794 176.600 0.062 0.000 1.172 200 E CA 0.172 56.602 56.400 0.051 0.000 1.457 200 E CB 0.830 30.554 29.700 0.040 0.000 1.388 200 E HN 0.369 nan 8.360 nan 0.000 0.551 201 R N 0.119 120.678 120.500 0.099 0.000 2.709 201 R HA 0.465 4.839 4.340 0.056 0.000 0.270 201 R C -1.728 174.656 176.300 0.140 0.000 1.038 201 R CA -0.628 55.527 56.100 0.091 0.000 0.872 201 R CB 0.546 30.879 30.300 0.055 0.000 1.259 201 R HN -0.059 nan 8.270 nan 0.000 0.473 202 I N 2.055 122.678 120.570 0.088 0.000 2.389 202 I HA 0.396 4.600 4.170 0.056 0.000 0.288 202 I C -0.793 175.354 176.117 0.050 0.000 0.999 202 I CA -1.208 60.113 61.300 0.035 0.000 1.129 202 I CB 2.269 40.190 38.000 -0.131 0.000 1.288 202 I HN 0.316 nan 8.210 nan 0.000 0.444 203 V N 7.371 127.312 119.914 0.044 0.000 2.409 203 V HA 0.475 4.629 4.120 0.056 0.000 0.291 203 V C -0.058 176.051 176.094 0.026 0.000 1.020 203 V CA -0.556 61.761 62.300 0.028 0.000 0.848 203 V CB 1.798 33.639 31.823 0.030 0.000 0.990 203 V HN 0.473 nan 8.190 nan 0.000 0.430 204 L N 4.898 126.131 121.223 0.017 0.000 2.331 204 L HA 0.738 5.112 4.340 0.056 0.000 0.275 204 L C 0.029 176.970 176.870 0.119 0.000 1.022 204 L CA -0.560 54.309 54.840 0.047 0.000 0.812 204 L CB 1.925 43.982 42.059 -0.003 0.000 1.257 204 L HN 0.796 nan 8.230 nan 0.000 0.435 205 E N 1.893 122.206 120.200 0.188 0.000 2.312 205 E HA 0.412 4.796 4.350 0.056 0.000 0.267 205 E C -0.831 175.896 176.600 0.212 0.000 0.894 205 E CA -1.114 55.406 56.400 0.200 0.000 0.773 205 E CB 2.151 31.908 29.700 0.095 0.000 1.241 205 E HN 0.449 nan 8.360 nan 0.000 0.432 206 R N 1.779 122.342 120.500 0.105 0.000 2.583 206 R HA -0.079 4.295 4.340 0.056 0.000 0.274 206 R C -0.687 175.523 176.300 -0.150 0.000 0.998 206 R CA 0.122 56.095 56.100 -0.211 0.000 1.081 206 R CB 0.251 30.472 30.300 -0.132 0.000 0.940 206 R HN 0.612 nan 8.270 nan 0.000 0.413 207 N N 5.789 124.346 118.700 -0.238 0.000 2.485 207 N HA 0.192 4.966 4.740 0.056 0.000 0.243 207 N C -1.985 173.502 175.510 -0.040 0.000 0.987 207 N CA -2.372 50.622 53.050 -0.093 0.000 0.940 207 N CB 1.517 39.944 38.487 -0.099 0.000 1.122 207 N HN 0.380 nan 8.380 nan 0.000 0.509 208 P HA -0.080 nan 4.420 nan 0.000 0.226 208 P C 0.431 177.754 177.300 0.039 0.000 1.153 208 P CA 0.944 64.050 63.100 0.010 0.000 0.777 208 P CB 0.522 32.231 31.700 0.014 0.000 0.794 209 Q N -1.536 118.306 119.800 0.069 0.000 2.424 209 Q HA -0.018 4.356 4.340 0.056 0.000 0.204 209 Q C 0.523 176.598 176.000 0.125 0.000 0.933 209 Q CA -0.116 55.745 55.803 0.096 0.000 0.929 209 Q CB -0.703 28.109 28.738 0.123 0.000 1.037 209 Q HN 0.335 nan 8.270 nan 0.000 0.511 210 Y N 2.502 122.776 120.300 -0.043 0.000 2.717 210 Y HA -0.175 4.406 4.550 0.051 0.000 0.330 210 Y C 1.358 177.216 175.900 -0.071 0.000 1.217 210 Y CA -0.595 57.451 58.100 -0.090 0.000 1.506 210 Y CB 0.296 38.623 38.460 -0.222 0.000 1.268 210 Y HN 0.234 nan 8.280 nan 0.000 0.561 211 W N 4.085 125.065 121.300 -0.534 0.000 2.325 211 W HA -0.224 4.467 4.660 0.052 0.000 0.299 211 W C 0.303 176.502 176.519 -0.534 0.000 1.215 211 W CA 1.462 58.530 57.345 -0.461 0.000 1.244 211 W CB -0.468 28.774 29.460 -0.363 0.000 1.140 211 W HN 0.527 nan 8.180 nan 0.000 0.523 212 D N 0.776 120.059 120.400 -1.862 0.000 2.460 212 D HA -0.018 4.655 4.640 0.056 0.000 0.229 212 D C 1.430 177.398 176.300 -0.554 0.000 1.170 212 D CA 0.053 53.300 54.000 -1.254 0.000 0.827 212 D CB -0.714 38.986 40.800 -1.833 0.000 0.973 212 D HN 0.044 nan 8.370 nan 0.000 0.496 213 N N 0.295 118.798 118.700 -0.328 0.000 2.192 213 N HA -0.196 4.577 4.740 0.056 0.000 0.188 213 N C 1.648 177.112 175.510 -0.077 0.000 1.013 213 N CA 1.509 54.511 53.050 -0.081 0.000 0.863 213 N CB 0.018 38.481 38.487 -0.039 0.000 0.990 213 N HN 0.165 nan 8.380 nan 0.000 0.430 214 A N 0.187 122.953 122.820 -0.090 0.000 2.019 214 A HA -0.112 4.242 4.320 0.056 0.000 0.219 214 A C 1.896 179.452 177.584 -0.047 0.000 1.164 214 A CA 1.271 53.276 52.037 -0.054 0.000 0.644 214 A CB -0.245 18.730 19.000 -0.042 0.000 0.805 214 A HN 0.391 nan 8.150 nan 0.000 0.449 215 K N -0.453 119.907 120.400 -0.065 0.000 2.393 215 K HA 0.062 4.415 4.320 0.056 0.000 0.193 215 K C -0.160 176.435 176.600 -0.007 0.000 1.026 215 K CA 0.188 56.452 56.287 -0.038 0.000 1.064 215 K CB 0.114 32.584 32.500 -0.050 0.000 0.833 215 K HN 0.304 nan 8.250 nan 0.000 0.521 216 T N 1.211 115.757 114.554 -0.013 0.000 2.901 216 T HA 0.067 4.450 4.350 0.056 0.000 0.301 216 T C 1.323 176.047 174.700 0.039 0.000 1.012 216 T CA -0.170 61.938 62.100 0.013 0.000 1.135 216 T CB 1.719 70.547 68.868 -0.067 0.000 0.936 216 T HN -0.186 nan 8.240 nan 0.000 0.539 217 V N 2.703 122.676 119.914 0.099 0.000 2.854 217 V HA 0.165 4.319 4.120 0.056 0.000 0.236 217 V C 1.013 177.187 176.094 0.134 0.000 1.157 217 V CA 0.138 62.504 62.300 0.110 0.000 1.187 217 V CB 0.098 32.011 31.823 0.150 0.000 0.949 217 V HN 0.720 nan 8.190 nan 0.000 0.488 218 I N 2.811 123.493 120.570 0.186 0.000 2.598 218 I HA 0.062 4.265 4.170 0.056 0.000 0.284 218 I C 0.998 177.254 176.117 0.232 0.000 1.140 218 I CA 0.585 61.996 61.300 0.185 0.000 1.420 218 I CB 0.389 38.492 38.000 0.172 0.000 1.387 218 I HN 0.336 nan 8.210 nan 0.000 0.553 219 N N 4.332 123.127 118.700 0.159 0.000 2.395 219 N HA -0.021 4.752 4.740 0.056 0.000 0.175 219 N C 0.466 176.086 175.510 0.185 0.000 1.029 219 N CA 0.505 53.642 53.050 0.146 0.000 0.897 219 N CB 0.609 39.142 38.487 0.077 0.000 0.991 219 N HN 0.653 nan 8.380 nan 0.000 0.441 220 Q N 0.561 120.440 119.800 0.131 0.000 2.309 220 Q HA 0.435 4.808 4.340 0.056 0.000 0.273 220 Q C -2.079 173.900 176.000 -0.035 0.000 1.040 220 Q CA -0.459 55.387 55.803 0.072 0.000 0.834 220 Q CB 2.543 31.304 28.738 0.037 0.000 1.345 220 Q HN -0.110 nan 8.270 nan 0.000 0.414 221 V N 2.854 122.687 119.914 -0.135 0.000 2.709 221 V HA 0.700 4.854 4.120 0.056 0.000 0.308 221 V C -1.306 174.650 176.094 -0.229 0.000 1.062 221 V CA -0.032 62.110 62.300 -0.264 0.000 0.901 221 V CB 2.360 33.903 31.823 -0.466 0.000 1.003 221 V HN 0.899 nan 8.190 nan 0.000 0.425 222 T N 6.613 121.018 114.554 -0.250 0.000 2.823 222 T HA 0.608 4.991 4.350 0.056 0.000 0.279 222 T C -1.388 173.144 174.700 -0.280 0.000 0.998 222 T CA 0.047 62.052 62.100 -0.158 0.000 0.994 222 T CB 0.998 69.813 68.868 -0.088 0.000 0.960 222 T HN 0.568 nan 8.240 nan 0.000 0.448 223 Y N 2.546 122.783 120.300 -0.104 0.000 2.335 223 Y HA 0.552 5.134 4.550 0.053 0.000 0.338 223 Y C 0.125 175.974 175.900 -0.086 0.000 0.977 223 Y CA -0.916 57.118 58.100 -0.111 0.000 1.114 223 Y CB 0.919 39.288 38.460 -0.152 0.000 1.182 223 Y HN 0.385 nan 8.280 nan 0.000 0.463 224 L N 5.931 127.181 121.223 0.046 0.000 2.352 224 L HA 0.525 4.899 4.340 0.056 0.000 0.269 224 L C -1.961 174.900 176.870 -0.015 0.000 1.034 224 L CA -1.951 52.898 54.840 0.015 0.000 0.806 224 L CB 1.915 43.970 42.059 -0.006 0.000 1.244 224 L HN 0.420 nan 8.230 nan 0.000 0.447 225 P HA 0.255 nan 4.420 nan 0.000 0.263 225 P C -0.311 176.942 177.300 -0.078 0.000 1.821 225 P CA -0.063 63.001 63.100 -0.060 0.000 1.186 225 P CB 0.046 31.745 31.700 -0.002 0.000 1.623 226 I N 1.247 121.769 120.570 -0.081 0.000 2.379 226 I HA 0.028 4.232 4.170 0.056 0.000 0.290 226 I C 1.638 177.695 176.117 -0.101 0.000 1.063 226 I CA 0.105 61.367 61.300 -0.064 0.000 1.351 226 I CB 0.870 38.850 38.000 -0.034 0.000 1.410 226 I HN 0.013 nan 8.210 nan 0.000 0.505 227 S N 2.243 117.894 115.700 -0.081 0.000 2.524 227 S HA -0.004 4.500 4.470 0.056 0.000 0.216 227 S C 0.947 175.518 174.600 -0.047 0.000 0.987 227 S CA -0.376 57.770 58.200 -0.090 0.000 0.909 227 S CB 0.118 63.282 63.200 -0.059 0.000 0.781 227 S HN 0.595 nan 8.310 nan 0.000 0.521 228 S N 1.323 117.007 115.700 -0.027 0.000 2.448 228 S HA 0.255 4.759 4.470 0.056 0.000 0.279 228 S C 0.642 175.232 174.600 -0.017 0.000 1.195 228 S CA -0.545 57.646 58.200 -0.015 0.000 1.051 228 S CB 0.715 63.913 63.200 -0.003 0.000 0.948 228 S HN 0.349 nan 8.310 nan 0.000 0.493 229 E N 3.548 123.734 120.200 -0.023 0.000 2.204 229 E HA -0.072 4.311 4.350 0.056 0.000 0.194 229 E C 1.866 178.457 176.600 -0.014 0.000 0.989 229 E CA 0.922 57.311 56.400 -0.018 0.000 0.824 229 E CB -0.147 29.530 29.700 -0.038 0.000 0.756 229 E HN 0.570 nan 8.360 nan 0.000 0.477 230 V N 0.700 120.607 119.914 -0.012 0.000 2.343 230 V HA -0.269 3.885 4.120 0.056 0.000 0.247 230 V C 2.112 178.210 176.094 0.006 0.000 1.051 230 V CA 2.190 64.489 62.300 -0.002 0.000 1.036 230 V CB -0.762 31.060 31.823 -0.002 0.000 0.654 230 V HN 0.342 nan 8.190 nan 0.000 0.451 231 T N -0.516 114.041 114.554 0.006 0.000 2.746 231 T HA -0.219 4.165 4.350 0.056 0.000 0.267 231 T C 1.792 176.504 174.700 0.019 0.000 1.039 231 T CA 1.734 63.841 62.100 0.011 0.000 1.142 231 T CB -0.403 68.469 68.868 0.006 0.000 0.866 231 T HN 0.523 nan 8.240 nan 0.000 0.444 232 D N 1.006 121.414 120.400 0.013 0.000 2.092 232 D HA -0.104 4.569 4.640 0.056 0.000 0.193 232 D C 2.181 178.506 176.300 0.043 0.000 0.994 232 D CA 0.935 54.949 54.000 0.023 0.000 0.828 232 D CB -0.537 40.272 40.800 0.014 0.000 0.963 232 D HN 0.177 nan 8.370 nan 0.000 0.450 233 V N 1.175 121.098 119.914 0.016 0.000 2.332 233 V HA -0.267 3.887 4.120 0.056 0.000 0.248 233 V C 2.270 178.418 176.094 0.090 0.000 1.055 233 V CA 1.870 64.183 62.300 0.023 0.000 1.038 233 V CB -0.649 31.169 31.823 -0.009 0.000 0.651 233 V HN 0.246 nan 8.190 nan 0.000 0.450 234 N N 0.328 119.063 118.700 0.059 0.000 2.104 234 N HA -0.157 4.616 4.740 0.056 0.000 0.190 234 N C 1.959 177.511 175.510 0.069 0.000 1.024 234 N CA 1.469 54.553 53.050 0.057 0.000 0.853 234 N CB -0.374 38.133 38.487 0.034 0.000 1.008 234 N HN 0.486 nan 8.380 nan 0.000 0.424 235 R N -0.707 119.834 120.500 0.069 0.000 2.189 235 R HA -0.055 4.319 4.340 0.056 0.000 0.218 235 R C 1.896 178.246 176.300 0.084 0.000 1.074 235 R CA 0.462 56.597 56.100 0.059 0.000 0.991 235 R CB -0.248 30.077 30.300 0.041 0.000 0.883 235 R HN 0.344 nan 8.270 nan 0.000 0.457 236 Y N 1.469 121.757 120.300 -0.019 0.000 2.163 236 Y HA -0.134 4.449 4.550 0.053 0.000 0.288 236 Y C 1.979 177.869 175.900 -0.017 0.000 1.136 236 Y CA 1.427 59.508 58.100 -0.031 0.000 1.147 236 Y CB 0.079 38.503 38.460 -0.059 0.000 0.987 236 Y HN -0.196 nan 8.280 nan 0.000 0.509 237 R N -0.069 120.536 120.500 0.174 0.000 2.235 237 R HA -0.082 4.291 4.340 0.056 0.000 0.213 237 R C 2.404 178.705 176.300 0.003 0.000 1.059 237 R CA 1.104 57.245 56.100 0.069 0.000 0.997 237 R CB -0.369 30.005 30.300 0.123 0.000 0.884 237 R HN 0.489 nan 8.270 nan 0.000 0.462 238 S N -1.030 114.676 115.700 0.010 0.000 2.489 238 S HA 0.051 4.555 4.470 0.056 0.000 0.228 238 S C 1.505 176.101 174.600 -0.007 0.000 0.995 238 S CA 0.802 59.005 58.200 0.005 0.000 0.934 238 S CB 0.525 63.733 63.200 0.013 0.000 0.771 238 S HN 0.477 nan 8.310 nan 0.000 0.522 239 G N 0.942 109.720 108.800 -0.036 0.000 2.238 239 G HA2 -0.274 3.720 3.960 0.056 0.000 0.217 239 G HA3 -0.274 3.720 3.960 0.056 0.000 0.217 239 G C 0.667 175.565 174.900 -0.004 0.000 0.996 239 G CA 0.441 45.534 45.100 -0.012 0.000 0.632 239 G HN 0.515 nan 8.290 nan 0.000 0.503 240 E N -0.022 120.173 120.200 -0.008 0.000 2.072 240 E HA 0.095 4.478 4.350 0.056 0.000 0.191 240 E C 0.865 177.465 176.600 -0.000 0.000 0.985 240 E CA 0.558 56.959 56.400 0.001 0.000 0.801 240 E CB -0.025 29.678 29.700 0.005 0.000 0.750 240 E HN 0.607 nan 8.360 nan 0.000 0.452 241 I N 1.457 122.025 120.570 -0.004 0.000 2.412 241 I HA 0.058 4.262 4.170 0.056 0.000 0.296 241 I C 0.387 176.495 176.117 -0.016 0.000 0.987 241 I CA -0.591 60.719 61.300 0.017 0.000 1.180 241 I CB 1.638 39.687 38.000 0.082 0.000 1.340 241 I HN -0.017 nan 8.210 nan 0.000 0.455 242 D N 5.276 125.672 120.400 -0.007 0.000 2.277 242 D HA 0.144 4.817 4.640 0.056 0.000 0.209 242 D C 0.212 176.519 176.300 0.012 0.000 0.970 242 D CA 1.323 55.293 54.000 -0.050 0.000 0.874 242 D CB 0.518 41.308 40.800 -0.015 0.000 0.982 242 D HN 0.398 nan 8.370 nan 0.000 0.504 243 M N 0.827 120.431 119.600 0.007 0.000 2.213 243 M HA 0.176 4.689 4.480 0.056 0.000 0.286 243 M C -0.168 176.096 176.300 -0.060 0.000 1.008 243 M CA -0.504 54.752 55.300 -0.074 0.000 0.937 243 M CB 2.627 35.096 32.600 -0.219 0.000 1.600 243 M HN -0.218 nan 8.290 nan 0.000 0.450 244 T N -0.724 113.750 114.554 -0.134 0.000 2.726 244 T HA 0.286 4.670 4.350 0.056 0.000 0.294 244 T C -0.237 174.419 174.700 -0.073 0.000 1.013 244 T CA -0.313 61.726 62.100 -0.101 0.000 0.996 244 T CB 0.883 69.630 68.868 -0.202 0.000 1.016 244 T HN 0.481 nan 8.240 nan 0.000 0.529 245 Y N 1.978 122.200 120.300 -0.130 0.000 2.357 245 Y HA 0.251 4.836 4.550 0.058 0.000 0.340 245 Y C 0.822 176.651 175.900 -0.120 0.000 1.260 245 Y CA -0.969 57.061 58.100 -0.118 0.000 1.425 245 Y CB 0.463 38.860 38.460 -0.104 0.000 1.326 245 Y HN 0.812 nan 8.280 nan 0.000 0.580 246 N N 3.026 121.177 118.700 -0.914 0.000 3.301 246 N HA 0.189 4.962 4.740 0.056 0.000 0.289 246 N C -1.817 173.440 175.510 -0.422 0.000 1.343 246 N CA -0.360 52.363 53.050 -0.546 0.000 1.136 246 N CB -0.365 37.840 38.487 -0.471 0.000 1.402 246 N HN 0.421 nan 8.380 nan 0.000 0.516 247 N N 0.828 119.392 118.700 -0.227 0.000 2.478 247 N HA 0.343 5.117 4.740 0.056 0.000 0.291 247 N C -1.262 174.205 175.510 -0.073 0.000 1.090 247 N CA -0.283 52.750 53.050 -0.028 0.000 0.911 247 N CB 1.390 39.953 38.487 0.127 0.000 1.546 247 N HN 0.223 nan 8.380 nan 0.000 0.500 248 M N 2.840 122.356 119.600 -0.141 0.000 2.436 248 M HA 0.508 5.021 4.480 0.056 0.000 0.331 248 M C -2.331 173.873 176.300 -0.159 0.000 1.135 248 M CA -2.142 53.055 55.300 -0.172 0.000 0.987 248 M CB 1.801 34.200 32.600 -0.336 0.000 1.687 248 M HN 0.260 nan 8.290 nan 0.000 0.445 249 P HA 0.225 nan 4.420 nan 0.000 0.275 249 P C 0.529 177.810 177.300 -0.031 0.000 1.227 249 P CA -0.137 62.930 63.100 -0.055 0.000 0.781 249 P CB 1.055 32.744 31.700 -0.019 0.000 0.906 250 I N 1.431 121.971 120.570 -0.050 0.000 2.353 250 I HA -0.211 3.992 4.170 0.056 0.000 0.248 250 I C 1.944 178.065 176.117 0.005 0.000 1.119 250 I CA 1.401 62.683 61.300 -0.031 0.000 1.417 250 I CB -0.561 37.405 38.000 -0.057 0.000 1.078 250 I HN 0.307 nan 8.210 nan 0.000 0.421 251 E N 1.130 121.328 120.200 -0.002 0.000 2.118 251 E HA -0.160 4.224 4.350 0.056 0.000 0.195 251 E C 1.962 178.571 176.600 0.014 0.000 0.992 251 E CA 1.329 57.731 56.400 0.002 0.000 0.804 251 E CB -0.040 29.658 29.700 -0.003 0.000 0.741 251 E HN 0.481 nan 8.360 nan 0.000 0.458 252 L N -1.705 119.538 121.223 0.033 0.000 2.717 252 L HA 0.186 4.560 4.340 0.056 0.000 0.239 252 L C 1.581 178.487 176.870 0.059 0.000 1.086 252 L CA -0.297 54.562 54.840 0.032 0.000 0.897 252 L CB -0.012 42.061 42.059 0.023 0.000 1.214 252 L HN 0.045 nan 8.230 nan 0.000 0.508 253 F N 2.072 121.982 119.950 -0.067 0.000 2.043 253 F HA -0.327 4.231 4.527 0.053 0.000 0.297 253 F C 2.644 178.404 175.800 -0.066 0.000 1.118 253 F CA 1.948 59.903 58.000 -0.075 0.000 1.202 253 F CB -0.160 38.789 39.000 -0.084 0.000 0.965 253 F HN 0.067 nan 8.300 nan 0.000 0.482 254 Q N 0.930 120.677 119.800 -0.087 0.000 2.029 254 Q HA -0.246 4.128 4.340 0.056 0.000 0.209 254 Q C 2.203 178.069 176.000 -0.222 0.000 0.999 254 Q CA 1.948 57.630 55.803 -0.202 0.000 0.857 254 Q CB -0.985 27.712 28.738 -0.067 0.000 0.926 254 Q HN 0.403 nan 8.270 nan 0.000 0.415 255 K N 0.661 120.986 120.400 -0.126 0.000 2.049 255 K HA -0.186 4.168 4.320 0.056 0.000 0.219 255 K C 2.381 178.897 176.600 -0.140 0.000 1.056 255 K CA 1.433 57.658 56.287 -0.104 0.000 0.946 255 K CB -0.978 31.488 32.500 -0.057 0.000 0.723 255 K HN 0.272 nan 8.250 nan 0.000 0.453 256 L N 0.862 121.985 121.223 -0.167 0.000 2.043 256 L HA -0.248 4.126 4.340 0.056 0.000 0.212 256 L C 2.651 179.389 176.870 -0.221 0.000 1.075 256 L CA 1.575 56.311 54.840 -0.174 0.000 0.752 256 L CB -0.594 41.368 42.059 -0.162 0.000 0.891 256 L HN 0.178 nan 8.230 nan 0.000 0.432 257 K N 0.375 120.563 120.400 -0.353 0.000 2.063 257 K HA -0.175 4.178 4.320 0.056 0.000 0.208 257 K C 2.081 178.571 176.600 -0.183 0.000 1.048 257 K CA 1.413 57.517 56.287 -0.306 0.000 0.928 257 K CB 0.063 32.320 32.500 -0.404 0.000 0.713 257 K HN 0.048 nan 8.250 nan 0.000 0.442 258 K N 0.647 120.949 120.400 -0.163 0.000 2.116 258 K HA -0.024 4.329 4.320 0.056 0.000 0.203 258 K C 2.030 178.581 176.600 -0.082 0.000 1.052 258 K CA 1.479 57.702 56.287 -0.106 0.000 0.952 258 K CB -0.109 32.334 32.500 -0.093 0.000 0.729 258 K HN 0.406 nan 8.250 nan 0.000 0.446 259 E N 0.719 120.869 120.200 -0.083 0.000 2.076 259 E HA -0.005 4.379 4.350 0.056 0.000 0.190 259 E C 0.881 177.453 176.600 -0.046 0.000 0.979 259 E CA 0.786 57.154 56.400 -0.054 0.000 0.807 259 E CB 0.087 29.761 29.700 -0.044 0.000 0.761 259 E HN 0.346 nan 8.360 nan 0.000 0.454 260 I N -2.340 118.195 120.570 -0.059 0.000 2.925 260 I HA 0.273 4.477 4.170 0.056 0.000 0.296 260 I C -2.351 173.728 176.117 -0.063 0.000 1.413 260 I CA -1.928 59.346 61.300 -0.043 0.000 0.932 260 I CB 1.273 39.265 38.000 -0.012 0.000 1.873 260 I HN -0.215 nan 8.210 nan 0.000 0.619 261 P HA -0.163 nan 4.420 nan 0.000 0.215 261 P C 0.861 178.126 177.300 -0.059 0.000 1.153 261 P CA 1.619 64.675 63.100 -0.073 0.000 0.853 261 P CB 0.061 31.723 31.700 -0.063 0.000 0.788 262 N N -0.267 118.405 118.700 -0.047 0.000 2.453 262 N HA -0.094 4.680 4.740 0.056 0.000 0.183 262 N C 1.523 177.001 175.510 -0.053 0.000 1.041 262 N CA 0.459 53.483 53.050 -0.042 0.000 0.900 262 N CB -0.146 38.321 38.487 -0.035 0.000 0.961 262 N HN 0.365 nan 8.380 nan 0.000 0.443 263 E N 0.300 120.464 120.200 -0.060 0.000 2.447 263 E HA 0.052 4.435 4.350 0.056 0.000 0.195 263 E C -0.338 176.203 176.600 -0.097 0.000 1.028 263 E CA 0.051 56.409 56.400 -0.069 0.000 0.876 263 E CB 0.685 30.376 29.700 -0.015 0.000 0.885 263 E HN 0.030 nan 8.360 nan 0.000 0.500 264 V N 3.561 123.424 119.914 -0.084 0.000 2.353 264 V HA 0.147 4.301 4.120 0.056 0.000 0.264 264 V C 0.061 176.136 176.094 -0.032 0.000 1.049 264 V CA -0.409 61.847 62.300 -0.074 0.000 0.896 264 V CB 0.397 32.169 31.823 -0.085 0.000 1.025 264 V HN 0.106 nan 8.190 nan 0.000 0.475 265 R N 3.914 124.401 120.500 -0.022 0.000 2.297 265 R HA 0.627 5.000 4.340 0.056 0.000 0.308 265 R C -0.854 175.466 176.300 0.033 0.000 1.029 265 R CA -0.549 55.566 56.100 0.025 0.000 0.929 265 R CB 1.665 32.028 30.300 0.104 0.000 1.046 265 R HN 0.424 nan 8.270 nan 0.000 0.461 266 V N 4.146 124.078 119.914 0.030 0.000 2.488 266 V HA 0.319 4.473 4.120 0.056 0.000 0.293 266 V C -0.487 175.612 176.094 0.009 0.000 1.027 266 V CA -0.703 61.618 62.300 0.034 0.000 0.862 266 V CB 1.915 33.781 31.823 0.071 0.000 1.008 266 V HN 0.667 nan 8.190 nan 0.000 0.428 267 D N 4.554 124.950 120.400 -0.008 0.000 2.531 267 D HA 0.507 5.180 4.640 0.056 0.000 0.244 267 D C -2.823 173.480 176.300 0.005 0.000 1.090 267 D CA -1.488 52.497 54.000 -0.026 0.000 0.989 267 D CB 2.833 43.589 40.800 -0.074 0.000 1.433 267 D HN 0.197 nan 8.370 nan 0.000 0.492 268 P HA 0.100 nan 4.420 nan 0.000 0.269 268 P C -0.982 176.445 177.300 0.212 0.000 1.209 268 P CA 0.175 63.307 63.100 0.053 0.000 0.776 268 P CB 0.288 31.983 31.700 -0.009 0.000 0.876 269 Y N 2.011 122.414 120.300 0.172 0.000 2.401 269 Y HA 0.309 4.895 4.550 0.060 0.000 0.330 269 Y C -0.969 175.102 175.900 0.286 0.000 1.071 269 Y CA -1.175 57.032 58.100 0.179 0.000 1.049 269 Y CB 1.229 39.773 38.460 0.140 0.000 1.239 269 Y HN 0.164 nan 8.280 nan 0.000 0.437 270 L N 6.253 127.624 121.223 0.247 0.000 2.423 270 L HA 0.328 4.701 4.340 0.056 0.000 0.249 270 L C -0.835 176.000 176.870 -0.057 0.000 1.276 270 L CA 0.192 55.045 54.840 0.021 0.000 1.199 270 L CB -0.626 41.435 42.059 0.002 0.000 1.407 270 L HN 0.561 nan 8.230 nan 0.000 0.410 271 c N -0.361 118.184 118.600 -0.092 0.000 2.898 271 c HA 0.690 5.293 4.570 0.056 0.000 0.304 271 c C 0.257 174.545 174.090 0.330 0.000 1.237 271 c CA -0.670 55.609 56.329 -0.084 0.000 1.529 271 c CB 2.266 44.237 42.510 -0.899 0.000 2.021 271 c HN 0.468 nan 8.230 nan 0.000 0.474 272 T N 1.110 115.955 114.554 0.485 0.000 2.848 272 T HA 0.426 4.809 4.350 0.056 0.000 0.285 272 T C -1.374 173.683 174.700 0.596 0.000 0.995 272 T CA -0.204 62.210 62.100 0.523 0.000 0.970 272 T CB 0.893 70.005 68.868 0.407 0.000 0.976 272 T HN 0.543 nan 8.240 nan 0.000 0.441 273 Y N 4.671 125.008 120.300 0.062 0.000 2.326 273 Y HA 0.559 5.141 4.550 0.054 0.000 0.337 273 Y C -0.769 175.039 175.900 -0.154 0.000 1.023 273 Y CA -0.583 57.334 58.100 -0.304 0.000 1.143 273 Y CB 0.429 38.043 38.460 -1.410 0.000 1.183 273 Y HN 0.706 nan 8.280 nan 0.000 0.485 274 Y N 2.286 122.428 120.300 -0.263 0.000 2.670 274 Y HA 0.568 5.151 4.550 0.055 0.000 0.334 274 Y C -2.338 173.333 175.900 -0.383 0.000 1.185 274 Y CA -2.386 55.614 58.100 -0.166 0.000 1.053 274 Y CB 0.596 39.036 38.460 -0.033 0.000 1.298 274 Y HN 0.395 nan 8.280 nan 0.000 0.459 275 Y N 1.238 121.654 120.300 0.193 0.000 2.353 275 Y HA 0.310 4.894 4.550 0.057 0.000 0.340 275 Y C 0.296 176.285 175.900 0.149 0.000 0.972 275 Y CA -0.711 57.457 58.100 0.114 0.000 1.157 275 Y CB 1.357 39.978 38.460 0.268 0.000 1.157 275 Y HN 0.673 nan 8.280 nan 0.000 0.495 276 E N 4.648 124.911 120.200 0.104 0.000 2.257 276 E HA 0.268 4.652 4.350 0.056 0.000 0.278 276 E C -0.908 175.811 176.600 0.198 0.000 1.049 276 E CA -0.207 56.295 56.400 0.171 0.000 0.876 276 E CB 0.472 30.197 29.700 0.040 0.000 1.035 276 E HN 0.603 nan 8.360 nan 0.000 0.419 277 I N 4.222 124.844 120.570 0.085 0.000 2.385 277 I HA 0.083 4.287 4.170 0.056 0.000 0.294 277 I C 0.419 176.464 176.117 -0.120 0.000 0.988 277 I CA -0.744 60.495 61.300 -0.101 0.000 1.265 277 I CB 1.110 39.026 38.000 -0.139 0.000 1.388 277 I HN 0.486 nan 8.210 nan 0.000 0.480 278 N N 4.941 123.389 118.700 -0.419 0.000 2.448 278 N HA 0.052 4.825 4.740 0.056 0.000 0.250 278 N C 0.436 175.827 175.510 -0.199 0.000 1.136 278 N CA 0.207 52.964 53.050 -0.489 0.000 0.953 278 N CB 0.146 37.981 38.487 -1.086 0.000 1.251 278 N HN 0.445 nan 8.380 nan 0.000 0.502 279 N N 1.972 120.645 118.700 -0.045 0.000 2.453 279 N HA -0.084 4.690 4.740 0.056 0.000 0.183 279 N C 0.736 176.244 175.510 -0.002 0.000 1.041 279 N CA 0.980 54.040 53.050 0.016 0.000 0.900 279 N CB 0.186 38.727 38.487 0.091 0.000 0.961 279 N HN 0.649 nan 8.380 nan 0.000 0.443 280 Q N -0.495 119.279 119.800 -0.044 0.000 2.360 280 Q HA 0.068 4.442 4.340 0.056 0.000 0.202 280 Q C -0.011 175.939 176.000 -0.085 0.000 0.915 280 Q CA 0.246 56.010 55.803 -0.065 0.000 0.943 280 Q CB 0.367 29.049 28.738 -0.093 0.000 1.064 280 Q HN 0.066 nan 8.270 nan 0.000 0.511 281 K N 1.254 121.605 120.400 -0.082 0.000 2.281 281 K HA 0.398 4.751 4.320 0.056 0.000 0.272 281 K C -0.834 175.776 176.600 0.017 0.000 1.048 281 K CA -0.268 55.991 56.287 -0.046 0.000 0.898 281 K CB 0.909 33.357 32.500 -0.087 0.000 1.128 281 K HN 0.025 nan 8.250 nan 0.000 0.460 282 A N 5.276 128.071 122.820 -0.042 0.000 2.483 282 A HA 0.245 4.598 4.320 0.056 0.000 0.238 282 A C -1.632 175.847 177.584 -0.175 0.000 1.070 282 A CA -0.863 51.113 52.037 -0.102 0.000 0.770 282 A CB -0.157 18.795 19.000 -0.081 0.000 1.008 282 A HN 0.822 nan 8.150 nan 0.000 0.497 283 P HA 0.142 nan 4.420 nan 0.000 0.258 283 P C 0.109 177.093 177.300 -0.528 0.000 1.416 283 P CA 0.244 63.108 63.100 -0.394 0.000 0.927 283 P CB -0.055 31.470 31.700 -0.292 0.000 1.444 284 F N 1.570 121.429 119.950 -0.152 0.000 2.802 284 F HA -0.005 4.556 4.527 0.057 0.000 0.300 284 F C 1.808 177.530 175.800 -0.131 0.000 1.168 284 F CA 0.433 58.318 58.000 -0.193 0.000 1.433 284 F CB -0.998 37.840 39.000 -0.270 0.000 1.115 284 F HN 0.056 nan 8.300 nan 0.000 0.582 285 N N -0.788 117.905 118.700 -0.013 0.000 2.461 285 N HA -0.090 4.684 4.740 0.056 0.000 0.188 285 N C -0.232 175.263 175.510 -0.025 0.000 1.134 285 N CA 0.306 53.349 53.050 -0.013 0.000 0.878 285 N CB -0.425 38.045 38.487 -0.028 0.000 0.972 285 N HN 0.107 nan 8.380 nan 0.000 0.456 286 D N 0.509 120.883 120.400 -0.044 0.000 2.317 286 D HA 0.053 4.727 4.640 0.056 0.000 0.234 286 D C 0.888 177.174 176.300 -0.024 0.000 1.112 286 D CA -0.507 53.471 54.000 -0.035 0.000 0.840 286 D CB 2.120 42.895 40.800 -0.042 0.000 1.078 286 D HN -0.169 nan 8.370 nan 0.000 0.486 287 V N 5.764 125.673 119.914 -0.009 0.000 2.469 287 V HA -0.235 3.918 4.120 0.056 0.000 0.251 287 V C 2.170 178.253 176.094 -0.018 0.000 1.064 287 V CA 1.823 64.119 62.300 -0.006 0.000 1.066 287 V CB -0.194 31.634 31.823 0.009 0.000 0.667 287 V HN 0.536 nan 8.190 nan 0.000 0.461 288 R N -0.818 119.675 120.500 -0.013 0.000 2.096 288 R HA -0.110 4.263 4.340 0.056 0.000 0.235 288 R C 2.135 178.414 176.300 -0.035 0.000 1.127 288 R CA 1.635 57.728 56.100 -0.011 0.000 0.968 288 R CB -0.531 29.774 30.300 0.009 0.000 0.861 288 R HN 0.494 nan 8.270 nan 0.000 0.440 289 V N 1.026 120.908 119.914 -0.053 0.000 2.358 289 V HA -0.207 3.947 4.120 0.056 0.000 0.246 289 V C 2.299 178.322 176.094 -0.119 0.000 1.047 289 V CA 1.640 63.870 62.300 -0.117 0.000 1.035 289 V CB -0.482 31.228 31.823 -0.187 0.000 0.658 289 V HN 0.290 nan 8.190 nan 0.000 0.452 290 R N -0.011 120.446 120.500 -0.071 0.000 2.073 290 R HA -0.141 4.233 4.340 0.056 0.000 0.234 290 R C 2.407 178.649 176.300 -0.096 0.000 1.134 290 R CA 1.975 58.035 56.100 -0.066 0.000 0.952 290 R CB -0.915 29.362 30.300 -0.039 0.000 0.850 290 R HN 0.485 nan 8.270 nan 0.000 0.433 291 T N 1.157 115.655 114.554 -0.093 0.000 2.746 291 T HA -0.143 4.241 4.350 0.056 0.000 0.267 291 T C 1.993 176.623 174.700 -0.117 0.000 1.039 291 T CA 1.429 63.454 62.100 -0.125 0.000 1.142 291 T CB -0.264 68.551 68.868 -0.087 0.000 0.866 291 T HN 0.393 nan 8.240 nan 0.000 0.444 292 A N 1.263 124.031 122.820 -0.088 0.000 1.908 292 A HA -0.015 4.339 4.320 0.056 0.000 0.218 292 A C 2.310 179.838 177.584 -0.094 0.000 1.181 292 A CA 1.263 53.255 52.037 -0.074 0.000 0.627 292 A CB -0.869 18.078 19.000 -0.088 0.000 0.818 292 A HN 0.481 nan 8.150 nan 0.000 0.445 293 L N -0.793 120.325 121.223 -0.174 0.000 2.093 293 L HA -0.185 4.189 4.340 0.056 0.000 0.208 293 L C 2.634 179.590 176.870 0.142 0.000 1.085 293 L CA 1.837 56.538 54.840 -0.231 0.000 0.755 293 L CB -0.395 41.408 42.059 -0.426 0.000 0.904 293 L HN 0.492 nan 8.230 nan 0.000 0.435 294 K N 0.742 121.153 120.400 0.017 0.000 2.002 294 K HA -0.176 4.177 4.320 0.056 0.000 0.209 294 K C 2.119 178.682 176.600 -0.061 0.000 1.048 294 K CA 1.388 57.657 56.287 -0.030 0.000 0.930 294 K CB -0.063 32.284 32.500 -0.255 0.000 0.714 294 K HN 0.226 nan 8.250 nan 0.000 0.438 295 L N 0.219 121.371 121.223 -0.117 0.000 2.109 295 L HA -0.056 4.318 4.340 0.056 0.000 0.207 295 L C 2.486 179.456 176.870 0.168 0.000 1.086 295 L CA 0.963 55.798 54.840 -0.009 0.000 0.760 295 L CB -0.378 41.691 42.059 0.018 0.000 0.910 295 L HN 0.261 nan 8.230 nan 0.000 0.437 296 A N -0.227 122.722 122.820 0.215 0.000 2.167 296 A HA 0.015 4.369 4.320 0.056 0.000 0.214 296 A C 1.147 178.941 177.584 0.350 0.000 1.151 296 A CA 0.054 52.262 52.037 0.284 0.000 0.735 296 A CB -0.360 18.814 19.000 0.291 0.000 0.802 296 A HN 0.286 nan 8.150 nan 0.000 0.467 297 L N 0.763 122.223 121.223 0.395 0.000 2.410 297 L HA 0.150 4.524 4.340 0.056 0.000 0.273 297 L C -0.520 176.436 176.870 0.143 0.000 1.144 297 L CA -0.331 54.611 54.840 0.170 0.000 0.863 297 L CB 0.552 42.722 42.059 0.185 0.000 1.140 297 L HN 0.108 nan 8.230 nan 0.000 0.463 298 D N 4.579 125.018 120.400 0.065 0.000 2.441 298 D HA 0.140 4.814 4.640 0.056 0.000 0.221 298 D C 1.053 177.393 176.300 0.067 0.000 1.156 298 D CA -0.130 53.916 54.000 0.077 0.000 0.896 298 D CB 0.831 41.657 40.800 0.044 0.000 1.028 298 D HN 0.537 nan 8.370 nan 0.000 0.509 299 R N 1.985 122.557 120.500 0.120 0.000 2.096 299 R HA -0.098 4.276 4.340 0.056 0.000 0.235 299 R C 1.127 177.466 176.300 0.065 0.000 1.127 299 R CA 0.964 57.139 56.100 0.126 0.000 0.968 299 R CB 0.213 30.650 30.300 0.229 0.000 0.861 299 R HN 0.374 nan 8.270 nan 0.000 0.440 300 D N 0.601 121.024 120.400 0.039 0.000 2.117 300 D HA -0.129 4.544 4.640 0.056 0.000 0.197 300 D C 1.833 178.131 176.300 -0.004 0.000 0.987 300 D CA 1.119 55.125 54.000 0.010 0.000 0.829 300 D CB -0.070 40.729 40.800 -0.003 0.000 0.961 300 D HN 0.190 nan 8.370 nan 0.000 0.460 301 I N 0.360 120.928 120.570 -0.003 0.000 2.113 301 I HA -0.236 3.968 4.170 0.056 0.000 0.238 301 I C 2.416 178.510 176.117 -0.039 0.000 1.070 301 I CA 0.719 62.007 61.300 -0.021 0.000 1.332 301 I CB -0.192 37.795 38.000 -0.021 0.000 1.044 301 I HN -0.043 nan 8.210 nan 0.000 0.402 302 I N 0.155 120.703 120.570 -0.037 0.000 2.076 302 I HA -0.301 3.902 4.170 0.056 0.000 0.237 302 I C 2.511 178.569 176.117 -0.098 0.000 1.059 302 I CA 1.581 62.846 61.300 -0.059 0.000 1.317 302 I CB -0.327 37.658 38.000 -0.025 0.000 1.037 302 I HN 0.007 nan 8.210 nan 0.000 0.398 303 V N 1.004 120.873 119.914 -0.076 0.000 2.307 303 V HA -0.235 3.919 4.120 0.056 0.000 0.245 303 V C 1.879 177.894 176.094 -0.131 0.000 1.045 303 V CA 1.977 64.189 62.300 -0.147 0.000 1.024 303 V CB -0.705 31.082 31.823 -0.060 0.000 0.651 303 V HN 0.462 nan 8.190 nan 0.000 0.449 304 N N -0.725 117.933 118.700 -0.070 0.000 2.415 304 N HA 0.024 4.798 4.740 0.056 0.000 0.174 304 N C 1.691 177.171 175.510 -0.049 0.000 1.048 304 N CA 0.550 53.568 53.050 -0.053 0.000 0.895 304 N CB 0.113 38.585 38.487 -0.026 0.000 1.036 304 N HN 0.449 nan 8.380 nan 0.000 0.449 305 K N 0.765 121.135 120.400 -0.049 0.000 2.161 305 K HA 0.101 4.455 4.320 0.056 0.000 0.205 305 K C 2.123 178.692 176.600 -0.052 0.000 1.035 305 K CA 0.758 57.020 56.287 -0.042 0.000 0.970 305 K CB -0.738 31.742 32.500 -0.033 0.000 0.866 305 K HN 0.086 nan 8.250 nan 0.000 0.461 306 V N 0.269 120.143 119.914 -0.067 0.000 2.379 306 V HA -0.059 4.094 4.120 0.056 0.000 0.245 306 V C 2.252 178.287 176.094 -0.099 0.000 1.044 306 V CA 1.595 63.850 62.300 -0.075 0.000 1.036 306 V CB -0.254 31.522 31.823 -0.078 0.000 0.664 306 V HN 0.195 nan 8.190 nan 0.000 0.453 307 K N 0.215 120.529 120.400 -0.144 0.000 2.161 307 K HA 0.054 4.407 4.320 0.056 0.000 0.205 307 K C 0.972 177.475 176.600 -0.162 0.000 1.035 307 K CA 0.621 56.788 56.287 -0.200 0.000 0.970 307 K CB -0.094 32.200 32.500 -0.344 0.000 0.866 307 K HN 0.599 nan 8.250 nan 0.000 0.461 308 N N 1.570 120.177 118.700 -0.156 0.000 2.669 308 N HA -0.208 4.566 4.740 0.056 0.000 0.266 308 N C -0.564 174.929 175.510 -0.028 0.000 1.024 308 N CA 0.356 53.357 53.050 -0.082 0.000 0.766 308 N CB -0.360 38.110 38.487 -0.027 0.000 0.898 308 N HN 0.451 nan 8.380 nan 0.000 0.548 309 Q N -0.390 119.318 119.800 -0.152 0.000 2.149 309 Q HA 0.215 4.589 4.340 0.056 0.000 0.221 309 Q C 1.249 177.200 176.000 -0.083 0.000 0.807 309 Q CA 0.463 56.157 55.803 -0.181 0.000 1.000 309 Q CB 0.927 29.247 28.738 -0.696 0.000 1.157 309 Q HN 0.658 nan 8.270 nan 0.000 0.487 310 G N 1.107 109.870 108.800 -0.061 0.000 2.184 310 G HA2 -0.155 3.838 3.960 0.056 0.000 0.206 310 G HA3 -0.155 3.838 3.960 0.056 0.000 0.206 310 G C -0.340 174.535 174.900 -0.042 0.000 0.995 310 G CA -0.391 44.697 45.100 -0.021 0.000 0.651 310 G HN 0.277 nan 8.290 nan 0.000 0.511 311 D N 0.476 120.792 120.400 -0.141 0.000 2.341 311 D HA 0.489 5.163 4.640 0.056 0.000 0.245 311 D C 0.227 176.515 176.300 -0.019 0.000 1.106 311 D CA 0.106 54.032 54.000 -0.123 0.000 0.905 311 D CB 1.766 42.231 40.800 -0.557 0.000 1.202 311 D HN 0.091 nan 8.370 nan 0.000 0.426 312 L N 2.672 123.980 121.223 0.142 0.000 2.322 312 L HA 0.317 4.691 4.340 0.056 0.000 0.279 312 L C -2.263 174.724 176.870 0.194 0.000 1.036 312 L CA -1.833 53.130 54.840 0.205 0.000 0.807 312 L CB 1.095 43.355 42.059 0.334 0.000 1.226 312 L HN 0.101 nan 8.230 nan 0.000 0.433 313 P HA 0.176 nan 4.420 nan 0.000 0.268 313 P C -1.081 176.299 177.300 0.133 0.000 1.204 313 P CA -0.229 63.029 63.100 0.263 0.000 0.768 313 P CB 0.674 32.615 31.700 0.403 0.000 0.842 314 A N 3.307 126.021 122.820 -0.176 0.000 2.324 314 A HA 0.564 4.918 4.320 0.056 0.000 0.330 314 A C -0.345 177.034 177.584 -0.341 0.000 1.165 314 A CA -0.451 51.160 52.037 -0.710 0.000 0.813 314 A CB 0.328 18.689 19.000 -1.065 0.000 1.197 314 A HN 0.683 nan 8.150 nan 0.000 0.484 315 Y N 0.236 120.304 120.300 -0.387 0.000 2.563 315 Y HA 0.461 5.045 4.550 0.056 0.000 0.250 315 Y C 0.342 176.227 175.900 -0.026 0.000 1.126 315 Y CA -0.129 57.764 58.100 -0.344 0.000 1.231 315 Y CB -0.451 37.333 38.460 -1.126 0.000 1.288 315 Y HN 0.605 nan 8.280 nan 0.000 0.537 316 S N -1.699 113.835 115.700 -0.277 0.000 2.732 316 S HA 0.360 4.863 4.470 0.056 0.000 0.293 316 S C -0.293 174.304 174.600 -0.005 0.000 1.159 316 S CA -0.527 57.617 58.200 -0.093 0.000 0.847 316 S CB 1.504 64.573 63.200 -0.218 0.000 1.169 316 S HN 0.119 nan 8.310 nan 0.000 0.501 317 Y N 1.793 121.986 120.300 -0.179 0.000 2.239 317 Y HA 0.309 4.894 4.550 0.058 0.000 0.293 317 Y C 1.088 176.791 175.900 -0.329 0.000 1.126 317 Y CA 0.947 58.917 58.100 -0.217 0.000 1.128 317 Y CB -0.869 37.449 38.460 -0.237 0.000 1.066 317 Y HN 0.698 nan 8.280 nan 0.000 0.516 318 T N 5.333 119.586 114.554 -0.501 0.000 2.867 318 T HA 0.140 4.524 4.350 0.056 0.000 0.297 318 T C -2.577 171.579 174.700 -0.907 0.000 0.989 318 T CA -0.824 60.651 62.100 -1.042 0.000 1.159 318 T CB 0.731 69.226 68.868 -0.621 0.000 0.928 318 T HN 0.087 nan 8.240 nan 0.000 0.538 319 P HA 0.115 nan 4.420 nan 0.000 0.268 319 P C -1.684 174.986 177.300 -1.050 0.000 1.205 319 P CA -1.443 60.928 63.100 -1.215 0.000 0.771 319 P CB 0.262 31.140 31.700 -1.370 0.000 0.858 320 P HA -0.135 nan 4.420 nan 0.000 0.226 320 P C 0.550 177.686 177.300 -0.273 0.000 1.153 320 P CA 1.460 64.294 63.100 -0.442 0.000 0.777 320 P CB -0.350 31.202 31.700 -0.246 0.000 0.794 321 Y N -2.026 118.087 120.300 -0.311 0.000 2.461 321 Y HA 0.363 4.945 4.550 0.053 0.000 0.277 321 Y C 0.576 176.381 175.900 -0.158 0.000 1.182 321 Y CA -0.984 57.006 58.100 -0.182 0.000 1.276 321 Y CB -1.805 36.572 38.460 -0.138 0.000 1.087 321 Y HN -0.324 nan 8.280 nan 0.000 0.519 322 T N 2.353 116.636 114.554 -0.451 0.000 2.937 322 T HA -0.118 4.265 4.350 0.056 0.000 0.316 322 T C -0.093 174.515 174.700 -0.154 0.000 1.079 322 T CA 0.047 61.956 62.100 -0.318 0.000 1.131 322 T CB 0.252 68.858 68.868 -0.437 0.000 1.000 322 T HN 0.311 nan 8.240 nan 0.000 0.549 323 D N 1.051 121.399 120.400 -0.087 0.000 2.412 323 D HA 0.234 4.908 4.640 0.056 0.000 0.257 323 D C 1.254 177.529 176.300 -0.042 0.000 1.217 323 D CA 1.231 55.214 54.000 -0.028 0.000 0.897 323 D CB -0.223 40.585 40.800 0.013 0.000 1.132 323 D HN 0.844 nan 8.370 nan 0.000 0.493 324 G N 2.536 111.333 108.800 -0.006 0.000 2.179 324 G HA2 -0.101 3.892 3.960 0.056 0.000 0.220 324 G HA3 -0.101 3.892 3.960 0.056 0.000 0.220 324 G C 0.303 175.231 174.900 0.046 0.000 0.990 324 G CA 0.136 45.260 45.100 0.041 0.000 0.646 324 G HN 0.905 nan 8.290 nan 0.000 0.517 325 A N 0.448 123.242 122.820 -0.043 0.000 2.320 325 A HA 0.725 5.079 4.320 0.056 0.000 0.287 325 A C 0.422 177.991 177.584 -0.024 0.000 1.181 325 A CA 0.021 52.019 52.037 -0.064 0.000 0.831 325 A CB 0.495 19.378 19.000 -0.196 0.000 1.102 325 A HN 0.260 nan 8.150 nan 0.000 0.513 326 K N 3.800 124.205 120.400 0.008 0.000 2.920 326 K HA 0.320 4.674 4.320 0.056 0.000 0.175 326 K C -1.092 175.520 176.600 0.019 0.000 1.099 326 K CA -0.054 56.240 56.287 0.013 0.000 0.939 326 K CB 0.675 33.187 32.500 0.019 0.000 1.148 326 K HN 0.705 nan 8.250 nan 0.000 0.613 327 L N 1.030 122.265 121.223 0.020 0.000 2.421 327 L HA 0.412 4.786 4.340 0.056 0.000 0.263 327 L C 0.322 177.215 176.870 0.038 0.000 1.122 327 L CA -1.144 53.724 54.840 0.048 0.000 0.804 327 L CB 1.262 43.373 42.059 0.086 0.000 1.150 327 L HN -0.042 nan 8.230 nan 0.000 0.457 328 V N 1.285 121.213 119.914 0.024 0.000 2.383 328 V HA 0.105 4.258 4.120 0.056 0.000 0.275 328 V C 0.330 176.340 176.094 -0.141 0.000 1.036 328 V CA -0.516 61.758 62.300 -0.044 0.000 0.889 328 V CB 1.144 32.951 31.823 -0.027 0.000 0.985 328 V HN 0.715 nan 8.190 nan 0.000 0.459 329 E N 7.993 127.993 120.200 -0.333 0.000 2.299 329 E HA 0.197 4.581 4.350 0.056 0.000 0.272 329 E C -2.196 174.111 176.600 -0.489 0.000 1.043 329 E CA -1.451 54.501 56.400 -0.747 0.000 0.895 329 E CB 1.015 30.241 29.700 -0.790 0.000 1.011 329 E HN 0.463 nan 8.360 nan 0.000 0.432 330 P HA 0.051 nan 4.420 nan 0.000 0.274 330 P C 0.140 177.107 177.300 -0.555 0.000 1.231 330 P CA -0.227 62.608 63.100 -0.442 0.000 0.790 330 P CB 0.961 32.411 31.700 -0.417 0.000 0.951 331 E N 1.376 121.346 120.200 -0.383 0.000 2.110 331 E HA -0.139 4.244 4.350 0.056 0.000 0.193 331 E C 1.860 177.884 176.600 -0.959 0.000 0.988 331 E CA 1.328 57.474 56.400 -0.423 0.000 0.804 331 E CB -0.565 29.058 29.700 -0.128 0.000 0.745 331 E HN 0.690 nan 8.360 nan 0.000 0.458 332 W N -0.244 120.421 121.300 -1.058 0.000 2.350 332 W HA -0.170 4.524 4.660 0.056 0.000 0.289 332 W C 1.753 177.934 176.519 -0.563 0.000 1.215 332 W CA 0.383 56.875 57.345 -1.421 0.000 1.236 332 W CB -1.275 27.695 29.460 -0.818 0.000 1.130 332 W HN -0.027 nan 8.180 nan 0.000 0.541 333 F N 2.992 122.247 119.950 -1.159 0.000 2.325 333 F HA -0.036 4.525 4.527 0.056 0.000 0.299 333 F C 2.220 177.819 175.800 -0.335 0.000 1.090 333 F CA 1.806 59.319 58.000 -0.811 0.000 1.392 333 F CB -0.183 38.173 39.000 -1.073 0.000 1.053 333 F HN -0.219 nan 8.300 nan 0.000 0.521 334 K N -0.987 119.237 120.400 -0.293 0.000 2.361 334 K HA -0.062 4.291 4.320 0.056 0.000 0.196 334 K C 0.315 176.945 176.600 0.050 0.000 1.039 334 K CA -0.019 56.180 56.287 -0.146 0.000 1.001 334 K CB -0.228 32.230 32.500 -0.070 0.000 0.795 334 K HN 0.060 nan 8.250 nan 0.000 0.495 335 W N 2.765 124.050 121.300 -0.024 0.000 1.979 335 W HA 0.011 4.706 4.660 0.057 0.000 0.359 335 W C 1.264 177.780 176.519 -0.005 0.000 1.354 335 W CA -1.163 56.193 57.345 0.018 0.000 1.359 335 W CB -0.334 29.180 29.460 0.089 0.000 1.248 335 W HN -0.036 nan 8.180 nan 0.000 0.641 336 S N 0.235 116.089 115.700 0.257 0.000 2.617 336 S HA 0.059 4.563 4.470 0.056 0.000 0.269 336 S C 0.795 175.499 174.600 0.174 0.000 1.292 336 S CA -0.360 57.922 58.200 0.137 0.000 1.010 336 S CB 1.537 64.780 63.200 0.072 0.000 0.944 336 S HN 0.397 nan 8.310 nan 0.000 0.536 337 Q N 1.005 120.878 119.800 0.121 0.000 2.084 337 Q HA -0.178 4.195 4.340 0.056 0.000 0.202 337 Q C 2.338 178.415 176.000 0.129 0.000 0.978 337 Q CA 2.356 58.241 55.803 0.137 0.000 0.844 337 Q CB -0.760 28.035 28.738 0.094 0.000 0.898 337 Q HN 0.981 nan 8.270 nan 0.000 0.426 338 Q N 0.128 119.979 119.800 0.085 0.000 2.112 338 Q HA -0.260 4.114 4.340 0.056 0.000 0.206 338 Q C 1.967 177.999 176.000 0.053 0.000 0.987 338 Q CA 2.342 58.180 55.803 0.058 0.000 0.858 338 Q CB -0.295 28.461 28.738 0.031 0.000 0.905 338 Q HN 0.350 nan 8.270 nan 0.000 0.420 339 K N -0.251 120.177 120.400 0.047 0.000 2.103 339 K HA -0.104 4.250 4.320 0.056 0.000 0.204 339 K C 2.229 178.889 176.600 0.101 0.000 1.052 339 K CA 0.917 57.187 56.287 -0.029 0.000 0.945 339 K CB 0.020 32.408 32.500 -0.186 0.000 0.722 339 K HN 0.197 nan 8.250 nan 0.000 0.443 340 R N 0.487 121.169 120.500 0.303 0.000 2.083 340 R HA -0.096 4.278 4.340 0.056 0.000 0.237 340 R C 2.056 178.493 176.300 0.228 0.000 1.137 340 R CA 1.678 58.018 56.100 0.399 0.000 0.951 340 R CB -0.379 30.163 30.300 0.402 0.000 0.851 340 R HN 0.286 nan 8.270 nan 0.000 0.434 341 N N 0.789 119.587 118.700 0.163 0.000 2.084 341 N HA -0.170 4.603 4.740 0.056 0.000 0.190 341 N C 1.595 177.157 175.510 0.088 0.000 1.030 341 N CA 1.214 54.336 53.050 0.120 0.000 0.849 341 N CB -0.261 38.285 38.487 0.098 0.000 1.012 341 N HN 0.325 nan 8.380 nan 0.000 0.423 342 E N 0.422 120.659 120.200 0.062 0.000 2.110 342 E HA -0.189 4.195 4.350 0.056 0.000 0.193 342 E C 1.607 178.232 176.600 0.042 0.000 0.988 342 E CA 0.776 57.196 56.400 0.034 0.000 0.804 342 E CB 0.036 29.736 29.700 -0.000 0.000 0.745 342 E HN 0.309 nan 8.360 nan 0.000 0.458 343 E N 0.872 121.112 120.200 0.067 0.000 2.110 343 E HA -0.140 4.244 4.350 0.056 0.000 0.193 343 E C 1.772 178.427 176.600 0.091 0.000 0.988 343 E CA 1.312 57.769 56.400 0.095 0.000 0.804 343 E CB -0.166 29.655 29.700 0.202 0.000 0.745 343 E HN 0.222 nan 8.360 nan 0.000 0.458 344 A N 0.885 123.761 122.820 0.093 0.000 1.877 344 A HA -0.204 4.150 4.320 0.056 0.000 0.216 344 A C 2.093 179.700 177.584 0.038 0.000 1.186 344 A CA 1.804 53.876 52.037 0.058 0.000 0.620 344 A CB -0.462 18.579 19.000 0.068 0.000 0.822 344 A HN 0.192 nan 8.150 nan 0.000 0.443 345 K N -0.348 120.080 120.400 0.046 0.000 2.063 345 K HA -0.205 4.148 4.320 0.056 0.000 0.208 345 K C 2.246 178.869 176.600 0.038 0.000 1.048 345 K CA 1.768 58.077 56.287 0.038 0.000 0.928 345 K CB -0.187 32.337 32.500 0.039 0.000 0.713 345 K HN 0.564 nan 8.250 nan 0.000 0.442 346 K N 1.352 121.774 120.400 0.037 0.000 2.057 346 K HA -0.138 4.216 4.320 0.056 0.000 0.207 346 K C 2.057 178.680 176.600 0.037 0.000 1.049 346 K CA 1.098 57.405 56.287 0.034 0.000 0.931 346 K CB -0.048 32.470 32.500 0.030 0.000 0.714 346 K HN 0.046 nan 8.250 nan 0.000 0.440 347 L N 0.856 122.102 121.223 0.039 0.000 2.056 347 L HA -0.144 4.230 4.340 0.056 0.000 0.207 347 L C 2.505 179.402 176.870 0.045 0.000 1.078 347 L CA 0.762 55.623 54.840 0.035 0.000 0.749 347 L CB -0.317 41.757 42.059 0.026 0.000 0.901 347 L HN 0.260 nan 8.230 nan 0.000 0.433 348 L N -0.386 120.864 121.223 0.045 0.000 2.017 348 L HA -0.215 4.158 4.340 0.056 0.000 0.208 348 L C 2.836 179.796 176.870 0.151 0.000 1.073 348 L CA 1.420 56.312 54.840 0.087 0.000 0.745 348 L CB -0.583 41.493 42.059 0.029 0.000 0.894 348 L HN 0.278 nan 8.230 nan 0.000 0.432 349 A N -0.268 122.606 122.820 0.090 0.000 1.933 349 A HA -0.233 4.120 4.320 0.056 0.000 0.218 349 A C 2.028 179.638 177.584 0.044 0.000 1.175 349 A CA 1.630 53.710 52.037 0.071 0.000 0.628 349 A CB -0.415 18.612 19.000 0.045 0.000 0.814 349 A HN 0.487 nan 8.150 nan 0.000 0.444 350 E N -0.326 119.897 120.200 0.038 0.000 2.204 350 E HA -0.044 4.340 4.350 0.056 0.000 0.194 350 E C 2.023 178.627 176.600 0.007 0.000 0.989 350 E CA 0.749 57.159 56.400 0.017 0.000 0.824 350 E CB -0.226 29.485 29.700 0.019 0.000 0.756 350 E HN 0.628 nan 8.360 nan 0.000 0.477 351 A N 0.217 123.066 122.820 0.048 0.000 2.209 351 A HA 0.150 4.504 4.320 0.056 0.000 0.212 351 A C 1.743 179.249 177.584 -0.131 0.000 1.158 351 A CA 1.013 53.075 52.037 0.042 0.000 0.742 351 A CB -0.251 18.879 19.000 0.216 0.000 0.790 351 A HN 0.353 nan 8.150 nan 0.000 0.472 352 G N -2.635 106.072 108.800 -0.156 0.000 2.148 352 G HA2 -0.175 3.819 3.960 0.056 0.000 0.203 352 G HA3 -0.175 3.819 3.960 0.056 0.000 0.203 352 G C -0.143 174.478 174.900 -0.464 0.000 0.993 352 G CA -0.152 44.756 45.100 -0.319 0.000 0.661 352 G HN 0.273 nan 8.290 nan 0.000 0.518 353 F N 1.949 121.874 119.950 -0.042 0.000 2.394 353 F HA 0.681 5.242 4.527 0.056 0.000 0.340 353 F C 1.095 176.882 175.800 -0.023 0.000 1.105 353 F CA 0.443 58.422 58.000 -0.035 0.000 1.124 353 F CB 1.846 40.822 39.000 -0.041 0.000 1.145 353 F HN 0.249 nan 8.300 nan 0.000 0.505 354 T N -1.071 113.572 114.554 0.147 0.000 2.742 354 T HA 0.687 5.070 4.350 0.056 0.000 0.282 354 T C 0.673 175.423 174.700 0.082 0.000 1.025 354 T CA -0.272 61.875 62.100 0.079 0.000 1.020 354 T CB 1.385 70.271 68.868 0.029 0.000 1.317 354 T HN 0.499 nan 8.240 nan 0.000 0.538 355 A N -0.206 122.644 122.820 0.050 0.000 2.016 355 A HA 0.109 4.463 4.320 0.056 0.000 0.217 355 A C 1.852 179.459 177.584 0.038 0.000 1.162 355 A CA 1.746 53.809 52.037 0.042 0.000 0.662 355 A CB -1.118 17.899 19.000 0.030 0.000 0.812 355 A HN 0.928 nan 8.150 nan 0.000 0.450 356 D N -0.753 119.666 120.400 0.032 0.000 2.194 356 D HA -0.018 4.655 4.640 0.056 0.000 0.204 356 D C 0.632 176.952 176.300 0.034 0.000 0.964 356 D CA 0.979 54.994 54.000 0.025 0.000 0.846 356 D CB 0.016 40.823 40.800 0.012 0.000 0.962 356 D HN 0.278 nan 8.370 nan 0.000 0.490 357 K N 0.872 121.302 120.400 0.050 0.000 2.679 357 K HA 0.296 4.649 4.320 0.056 0.000 0.188 357 K C -2.546 174.162 176.600 0.179 0.000 1.055 357 K CA -1.604 54.728 56.287 0.075 0.000 1.006 357 K CB 2.240 34.752 32.500 0.019 0.000 1.317 357 K HN 0.168 nan 8.250 nan 0.000 0.584 358 P HA 0.055 nan 4.420 nan 0.000 0.276 358 P C -0.694 176.702 177.300 0.160 0.000 1.261 358 P CA -0.804 62.393 63.100 0.161 0.000 0.800 358 P CB 0.832 32.569 31.700 0.061 0.000 1.066 359 L N 1.120 122.287 121.223 -0.094 0.000 2.313 359 L HA 0.365 4.738 4.340 0.056 0.000 0.282 359 L C -0.451 176.365 176.870 -0.090 0.000 1.092 359 L CA 0.940 55.571 54.840 -0.349 0.000 0.831 359 L CB -0.202 41.354 42.059 -0.838 0.000 1.159 359 L HN 0.295 nan 8.230 nan 0.000 0.442 360 T N 6.905 121.472 114.554 0.022 0.000 2.879 360 T HA 0.730 5.114 4.350 0.056 0.000 0.290 360 T C -0.967 173.830 174.700 0.162 0.000 0.993 360 T CA -0.129 61.973 62.100 0.004 0.000 0.975 360 T CB 0.753 69.635 68.868 0.024 0.000 0.981 360 T HN 0.500 nan 8.240 nan 0.000 0.439 361 F N -0.288 119.706 119.950 0.075 0.000 2.817 361 F HA 0.668 5.228 4.527 0.055 0.000 0.317 361 F C -1.506 174.363 175.800 0.115 0.000 1.168 361 F CA -1.360 56.725 58.000 0.141 0.000 0.911 361 F CB 0.744 39.944 39.000 0.334 0.000 1.337 361 F HN 0.214 nan 8.300 nan 0.000 0.464 362 D N 1.900 122.532 120.400 0.386 0.000 2.264 362 D HA 0.413 5.087 4.640 0.056 0.000 0.249 362 D C -0.998 175.514 176.300 0.353 0.000 1.070 362 D CA 0.004 54.159 54.000 0.258 0.000 0.912 362 D CB 2.408 43.341 40.800 0.221 0.000 1.193 362 D HN 0.727 nan 8.370 nan 0.000 0.427 363 L N 2.955 124.339 121.223 0.268 0.000 2.345 363 L HA 0.307 4.681 4.340 0.056 0.000 0.274 363 L C -1.385 175.689 176.870 0.339 0.000 0.999 363 L CA -0.901 54.141 54.840 0.336 0.000 0.849 363 L CB 1.124 43.355 42.059 0.287 0.000 1.220 363 L HN 0.165 nan 8.230 nan 0.000 0.422 364 L N 6.207 127.629 121.223 0.332 0.000 2.312 364 L HA 0.568 4.941 4.340 0.056 0.000 0.281 364 L C -1.052 176.047 176.870 0.381 0.000 1.070 364 L CA 0.059 55.065 54.840 0.276 0.000 0.805 364 L CB 1.131 43.318 42.059 0.214 0.000 1.174 364 L HN 0.531 nan 8.230 nan 0.000 0.434 365 Y N 2.577 122.962 120.300 0.142 0.000 2.571 365 Y HA 0.558 5.142 4.550 0.055 0.000 0.341 365 Y C -0.871 174.835 175.900 -0.324 0.000 1.076 365 Y CA -1.523 56.544 58.100 -0.055 0.000 1.029 365 Y CB 0.743 39.227 38.460 0.040 0.000 1.308 365 Y HN 0.730 nan 8.280 nan 0.000 0.461 366 N N 0.884 119.118 118.700 -0.776 0.000 2.514 366 N HA 0.096 4.869 4.740 0.056 0.000 0.277 366 N C -0.601 174.897 175.510 -0.021 0.000 1.126 366 N CA -0.270 52.437 53.050 -0.571 0.000 0.978 366 N CB 1.186 39.218 38.487 -0.759 0.000 1.106 366 N HN 0.805 nan 8.380 nan 0.000 0.461 367 T N 1.183 115.717 114.554 -0.034 0.000 2.718 367 T HA 0.077 4.461 4.350 0.056 0.000 0.265 367 T C 0.359 175.147 174.700 0.148 0.000 1.014 367 T CA 0.535 62.690 62.100 0.093 0.000 1.172 367 T CB -0.435 68.450 68.868 0.027 0.000 1.007 367 T HN 0.737 nan 8.240 nan 0.000 0.500 368 S N 1.919 117.736 115.700 0.196 0.000 2.606 368 S HA 0.172 4.676 4.470 0.056 0.000 0.290 368 S C 0.164 174.773 174.600 0.014 0.000 1.103 368 S CA -0.859 57.374 58.200 0.055 0.000 0.870 368 S CB 1.149 64.323 63.200 -0.045 0.000 1.077 368 S HN 0.524 nan 8.310 nan 0.000 0.448 369 D N 2.194 122.569 120.400 -0.040 0.000 2.117 369 D HA -0.071 4.603 4.640 0.056 0.000 0.198 369 D C 1.937 178.177 176.300 -0.099 0.000 0.982 369 D CA 1.339 55.310 54.000 -0.048 0.000 0.828 369 D CB -0.152 40.622 40.800 -0.044 0.000 0.967 369 D HN 0.428 nan 8.370 nan 0.000 0.464 370 L N 1.328 122.451 121.223 -0.166 0.000 1.989 370 L HA -0.196 4.177 4.340 0.056 0.000 0.211 370 L C 2.212 178.993 176.870 -0.148 0.000 1.071 370 L CA 1.900 56.620 54.840 -0.200 0.000 0.749 370 L CB -0.747 41.142 42.059 -0.283 0.000 0.890 370 L HN 0.069 nan 8.230 nan 0.000 0.431 371 H N -0.265 118.806 119.070 0.002 0.000 2.389 371 H HA -0.134 4.455 4.556 0.055 0.000 0.299 371 H C 2.193 177.301 175.328 -0.367 0.000 1.081 371 H CA 1.586 57.611 56.048 -0.038 0.000 1.345 371 H CB -0.261 29.543 29.762 0.069 0.000 1.393 371 H HN 0.448 nan 8.280 nan 0.000 0.520 372 K N 1.524 121.702 120.400 -0.369 0.000 2.026 372 K HA -0.123 4.231 4.320 0.056 0.000 0.208 372 K C 2.006 178.437 176.600 -0.281 0.000 1.048 372 K CA 1.203 57.137 56.287 -0.588 0.000 0.929 372 K CB 0.165 32.540 32.500 -0.208 0.000 0.713 372 K HN 0.114 nan 8.250 nan 0.000 0.439 373 K N 0.612 120.919 120.400 -0.154 0.000 2.063 373 K HA -0.133 4.220 4.320 0.056 0.000 0.208 373 K C 2.192 178.733 176.600 -0.097 0.000 1.048 373 K CA 1.515 57.740 56.287 -0.104 0.000 0.928 373 K CB -0.204 32.246 32.500 -0.083 0.000 0.713 373 K HN 0.231 nan 8.250 nan 0.000 0.442 374 L N 0.385 121.562 121.223 -0.077 0.000 2.141 374 L HA -0.121 4.253 4.340 0.056 0.000 0.209 374 L C 2.589 179.446 176.870 -0.022 0.000 1.094 374 L CA 0.908 55.727 54.840 -0.034 0.000 0.763 374 L CB -0.578 41.496 42.059 0.024 0.000 0.908 374 L HN 0.168 nan 8.230 nan 0.000 0.437 375 A N 0.229 123.012 122.820 -0.063 0.000 1.968 375 A HA -0.088 4.265 4.320 0.056 0.000 0.217 375 A C 2.211 179.725 177.584 -0.117 0.000 1.169 375 A CA 1.070 53.059 52.037 -0.081 0.000 0.638 375 A CB -0.471 18.452 19.000 -0.128 0.000 0.812 375 A HN 0.326 nan 8.150 nan 0.000 0.446 376 I N -0.297 120.203 120.570 -0.115 0.000 2.252 376 I HA -0.246 3.958 4.170 0.056 0.000 0.245 376 I C 2.933 178.995 176.117 -0.092 0.000 1.102 376 I CA 0.971 62.222 61.300 -0.082 0.000 1.385 376 I CB -0.260 37.701 38.000 -0.065 0.000 1.064 376 I HN 0.352 nan 8.210 nan 0.000 0.414 377 A N 0.342 123.101 122.820 -0.103 0.000 1.898 377 A HA -0.132 4.222 4.320 0.056 0.000 0.216 377 A C 2.427 179.908 177.584 -0.172 0.000 1.181 377 A CA 1.543 53.514 52.037 -0.111 0.000 0.620 377 A CB -0.872 18.069 19.000 -0.098 0.000 0.819 377 A HN 0.224 nan 8.150 nan 0.000 0.442 378 V N -0.118 119.642 119.914 -0.257 0.000 2.307 378 V HA -0.235 3.918 4.120 0.056 0.000 0.245 378 V C 3.077 178.887 176.094 -0.473 0.000 1.045 378 V CA 1.877 63.865 62.300 -0.520 0.000 1.024 378 V CB -1.241 30.130 31.823 -0.754 0.000 0.651 378 V HN 0.617 nan 8.190 nan 0.000 0.449 379 A N -0.628 122.045 122.820 -0.244 0.000 1.892 379 A HA -0.290 4.064 4.320 0.056 0.000 0.218 379 A C 2.569 180.139 177.584 -0.024 0.000 1.188 379 A CA 2.535 54.536 52.037 -0.061 0.000 0.631 379 A CB -0.952 18.023 19.000 -0.041 0.000 0.822 379 A HN 0.488 nan 8.150 nan 0.000 0.447 380 S N -0.496 115.169 115.700 -0.059 0.000 2.353 380 S HA -0.147 4.356 4.470 0.056 0.000 0.222 380 S C 1.917 176.507 174.600 -0.016 0.000 1.035 380 S CA 1.540 59.722 58.200 -0.030 0.000 1.025 380 S CB -0.541 62.634 63.200 -0.041 0.000 0.902 380 S HN 0.474 nan 8.310 nan 0.000 0.440 381 I N 0.081 120.607 120.570 -0.074 0.000 2.208 381 I HA -0.204 3.999 4.170 0.056 0.000 0.245 381 I C 2.137 178.295 176.117 0.067 0.000 1.097 381 I CA 1.197 62.464 61.300 -0.055 0.000 1.363 381 I CB -0.342 37.560 38.000 -0.164 0.000 1.051 381 I HN 0.450 nan 8.210 nan 0.000 0.413 382 W N 1.209 122.496 121.300 -0.022 0.000 2.436 382 W HA -0.121 4.573 4.660 0.056 0.000 0.284 382 W C 2.622 179.127 176.519 -0.025 0.000 1.225 382 W CA 0.795 58.130 57.345 -0.017 0.000 1.271 382 W CB -0.674 28.771 29.460 -0.024 0.000 1.114 382 W HN 0.090 nan 8.180 nan 0.000 0.559 383 K N 1.170 121.679 120.400 0.181 0.000 2.001 383 K HA -0.146 4.208 4.320 0.056 0.000 0.208 383 K C 1.891 178.536 176.600 0.075 0.000 1.048 383 K CA 1.827 58.168 56.287 0.089 0.000 0.932 383 K CB -0.495 32.033 32.500 0.046 0.000 0.715 383 K HN -0.083 nan 8.250 nan 0.000 0.437 384 K N 0.056 120.497 120.400 0.068 0.000 2.002 384 K HA -0.078 4.275 4.320 0.056 0.000 0.209 384 K C 1.846 178.487 176.600 0.069 0.000 1.048 384 K CA 1.682 58.001 56.287 0.054 0.000 0.930 384 K CB -0.261 32.262 32.500 0.038 0.000 0.714 384 K HN 0.150 nan 8.250 nan 0.000 0.438 385 N N 0.265 119.024 118.700 0.099 0.000 2.354 385 N HA -0.063 4.711 4.740 0.056 0.000 0.179 385 N C 1.205 176.780 175.510 0.108 0.000 1.021 385 N CA 0.771 53.886 53.050 0.108 0.000 0.887 385 N CB 0.221 38.793 38.487 0.142 0.000 0.974 385 N HN 0.044 nan 8.380 nan 0.000 0.437 386 L N -1.422 119.870 121.223 0.116 0.000 3.217 386 L HA 0.411 4.784 4.340 0.056 0.000 0.288 386 L C 0.700 177.592 176.870 0.036 0.000 1.202 386 L CA 0.382 55.264 54.840 0.070 0.000 1.027 386 L CB 0.104 42.198 42.059 0.059 0.000 1.427 386 L HN 0.179 nan 8.230 nan 0.000 0.600 387 G N 0.758 109.585 108.800 0.046 0.000 2.198 387 G HA2 -0.214 3.779 3.960 0.056 0.000 0.260 387 G HA3 -0.214 3.779 3.960 0.056 0.000 0.260 387 G C 0.198 175.097 174.900 -0.002 0.000 1.025 387 G CA 0.551 45.666 45.100 0.025 0.000 0.769 387 G HN 0.852 nan 8.290 nan 0.000 0.507 388 V N -2.691 117.218 119.914 -0.008 0.000 2.713 388 V HA 0.820 4.974 4.120 0.056 0.000 0.307 388 V C -0.053 175.995 176.094 -0.077 0.000 1.052 388 V CA -1.603 60.655 62.300 -0.071 0.000 0.967 388 V CB 1.896 33.649 31.823 -0.117 0.000 1.019 388 V HN 0.206 nan 8.190 nan 0.000 0.459 389 N N 2.485 121.101 118.700 -0.141 0.000 2.399 389 N HA 0.664 5.438 4.740 0.056 0.000 0.295 389 N C -1.169 174.158 175.510 -0.306 0.000 1.048 389 N CA -0.295 52.671 53.050 -0.140 0.000 0.886 389 N CB 2.181 40.619 38.487 -0.081 0.000 1.185 389 N HN 0.631 nan 8.380 nan 0.000 0.487 390 V N 2.137 121.904 119.914 -0.244 0.000 2.735 390 V HA 0.354 4.508 4.120 0.056 0.000 0.310 390 V C -0.591 175.427 176.094 -0.125 0.000 1.061 390 V CA -0.852 61.249 62.300 -0.331 0.000 0.913 390 V CB 2.036 33.697 31.823 -0.270 0.000 1.005 390 V HN 0.622 nan 8.190 nan 0.000 0.428 391 N N 3.916 122.572 118.700 -0.074 0.000 2.476 391 N HA 0.538 5.312 4.740 0.056 0.000 0.257 391 N C -1.067 174.489 175.510 0.076 0.000 0.970 391 N CA -0.645 52.413 53.050 0.013 0.000 0.938 391 N CB 1.419 39.924 38.487 0.030 0.000 1.144 391 N HN 0.385 nan 8.380 nan 0.000 0.500 392 L N 2.044 123.332 121.223 0.108 0.000 2.426 392 L HA 0.199 4.572 4.340 0.056 0.000 0.271 392 L C 0.314 177.291 176.870 0.179 0.000 1.169 392 L CA 0.697 55.662 54.840 0.209 0.000 0.836 392 L CB 0.272 42.487 42.059 0.261 0.000 1.112 392 L HN 0.528 nan 8.230 nan 0.000 0.465 393 E N 2.523 122.820 120.200 0.162 0.000 2.263 393 E HA 0.310 4.694 4.350 0.056 0.000 0.268 393 E C -1.144 175.286 176.600 -0.284 0.000 0.884 393 E CA -0.792 55.611 56.400 0.006 0.000 0.766 393 E CB 1.650 31.376 29.700 0.044 0.000 1.196 393 E HN 0.594 nan 8.360 nan 0.000 0.416 394 N N 2.745 121.192 118.700 -0.420 0.000 2.405 394 N HA 0.305 5.078 4.740 0.056 0.000 0.299 394 N C -0.685 174.639 175.510 -0.310 0.000 1.075 394 N CA -0.589 52.011 53.050 -0.750 0.000 0.884 394 N CB 2.093 40.179 38.487 -0.668 0.000 1.194 394 N HN 0.422 nan 8.380 nan 0.000 0.491 395 Q N 0.113 119.766 119.800 -0.244 0.000 2.421 395 Q HA 0.277 4.650 4.340 0.056 0.000 0.280 395 Q C -0.955 175.027 176.000 -0.030 0.000 1.085 395 Q CA -0.881 54.883 55.803 -0.065 0.000 0.807 395 Q CB 2.198 30.963 28.738 0.045 0.000 1.405 395 Q HN 0.531 nan 8.270 nan 0.000 0.419 396 E N 0.808 121.027 120.200 0.032 0.000 2.408 396 E HA -0.090 4.294 4.350 0.056 0.000 0.259 396 E C 0.394 177.107 176.600 0.187 0.000 1.110 396 E CA 0.070 56.523 56.400 0.087 0.000 0.929 396 E CB 0.445 30.194 29.700 0.082 0.000 0.971 396 E HN 0.717 nan 8.360 nan 0.000 0.438 397 W N 2.961 124.263 121.300 0.003 0.000 2.302 397 W HA -0.334 4.360 4.660 0.057 0.000 0.320 397 W C 1.838 178.447 176.519 0.149 0.000 1.241 397 W CA 2.069 59.457 57.345 0.071 0.000 1.264 397 W CB -0.001 29.471 29.460 0.021 0.000 1.154 397 W HN 0.573 nan 8.180 nan 0.000 0.483 398 K N -0.380 120.101 120.400 0.134 0.000 2.063 398 K HA -0.183 4.170 4.320 0.056 0.000 0.208 398 K C 1.967 178.547 176.600 -0.033 0.000 1.048 398 K CA 2.372 58.647 56.287 -0.020 0.000 0.928 398 K CB -0.457 32.083 32.500 0.066 0.000 0.713 398 K HN 0.003 nan 8.250 nan 0.000 0.442 399 T N 0.896 115.471 114.554 0.035 0.000 2.708 399 T HA -0.154 4.230 4.350 0.056 0.000 0.266 399 T C 1.385 176.093 174.700 0.013 0.000 1.037 399 T CA 1.392 63.507 62.100 0.025 0.000 1.146 399 T CB -0.443 68.454 68.868 0.047 0.000 0.865 399 T HN 0.334 nan 8.240 nan 0.000 0.435 400 F N 2.062 121.930 119.950 -0.137 0.000 2.091 400 F HA -0.130 4.430 4.527 0.055 0.000 0.299 400 F C 1.885 177.507 175.800 -0.296 0.000 1.103 400 F CA 1.277 59.157 58.000 -0.200 0.000 1.228 400 F CB -0.619 38.284 39.000 -0.163 0.000 0.984 400 F HN 0.058 nan 8.300 nan 0.000 0.477 401 L N 0.013 120.988 121.223 -0.414 0.000 2.083 401 L HA -0.201 4.173 4.340 0.056 0.000 0.209 401 L C 2.220 178.947 176.870 -0.239 0.000 1.083 401 L CA 1.824 56.356 54.840 -0.513 0.000 0.752 401 L CB -0.924 40.849 42.059 -0.476 0.000 0.899 401 L HN 0.219 nan 8.230 nan 0.000 0.433 402 D N -0.508 119.814 120.400 -0.130 0.000 2.097 402 D HA -0.184 4.490 4.640 0.056 0.000 0.195 402 D C 1.992 178.264 176.300 -0.048 0.000 0.989 402 D CA 1.676 55.658 54.000 -0.031 0.000 0.827 402 D CB 0.165 40.950 40.800 -0.026 0.000 0.966 402 D HN 0.080 nan 8.370 nan 0.000 0.456 403 T N -0.212 114.273 114.554 -0.115 0.000 2.665 403 T HA -0.177 4.207 4.350 0.056 0.000 0.268 403 T C 2.004 176.621 174.700 -0.138 0.000 1.035 403 T CA 1.449 63.490 62.100 -0.098 0.000 1.151 403 T CB -0.227 68.570 68.868 -0.118 0.000 0.862 403 T HN 0.198 nan 8.240 nan 0.000 0.438 404 R N -0.072 120.169 120.500 -0.433 0.000 2.075 404 R HA -0.045 4.329 4.340 0.056 0.000 0.232 404 R C 2.488 178.704 176.300 -0.140 0.000 1.126 404 R CA 1.164 56.927 56.100 -0.562 0.000 0.963 404 R CB -0.344 29.364 30.300 -0.986 0.000 0.858 404 R HN 0.506 nan 8.270 nan 0.000 0.435 405 H N 0.683 119.704 119.070 -0.081 0.000 2.423 405 H HA -0.061 4.529 4.556 0.055 0.000 0.297 405 H C 1.818 177.225 175.328 0.132 0.000 1.075 405 H CA 1.237 57.293 56.048 0.014 0.000 1.342 405 H CB 0.234 29.963 29.762 -0.055 0.000 1.395 405 H HN 0.372 nan 8.280 nan 0.000 0.530 406 Q N -0.538 119.374 119.800 0.186 0.000 2.389 406 Q HA 0.055 4.429 4.340 0.056 0.000 0.204 406 Q C 1.143 177.187 176.000 0.073 0.000 0.944 406 Q CA 0.531 56.408 55.803 0.124 0.000 0.908 406 Q CB 0.645 29.425 28.738 0.070 0.000 1.002 406 Q HN 0.590 nan 8.270 nan 0.000 0.493 407 G N 1.739 110.624 108.800 0.141 0.000 2.147 407 G HA2 -0.262 3.732 3.960 0.056 0.000 0.244 407 G HA3 -0.262 3.732 3.960 0.056 0.000 0.244 407 G C 0.420 175.312 174.900 -0.014 0.000 1.005 407 G CA 0.570 45.620 45.100 -0.084 0.000 0.713 407 G HN 0.391 nan 8.290 nan 0.000 0.515 408 T N -0.933 113.714 114.554 0.154 0.000 3.419 408 T HA 0.595 4.979 4.350 0.056 0.000 0.228 408 T C 0.096 174.922 174.700 0.210 0.000 0.939 408 T CA 0.152 62.314 62.100 0.104 0.000 0.992 408 T CB -0.739 68.171 68.868 0.070 0.000 1.186 408 T HN 1.499 nan 8.240 nan 0.000 0.612 409 F N -2.002 117.911 119.950 -0.060 0.000 2.745 409 F HA 0.759 5.320 4.527 0.056 0.000 0.316 409 F C -0.616 175.143 175.800 -0.069 0.000 1.155 409 F CA -1.526 56.448 58.000 -0.043 0.000 0.937 409 F CB 0.673 39.637 39.000 -0.061 0.000 1.361 409 F HN -0.170 nan 8.300 nan 0.000 0.472 410 D N 0.406 120.759 120.400 -0.079 0.000 2.845 410 D HA 0.281 4.955 4.640 0.056 0.000 0.272 410 D C -0.356 175.609 176.300 -0.559 0.000 1.275 410 D CA 1.159 54.926 54.000 -0.388 0.000 1.029 410 D CB 0.603 41.376 40.800 -0.044 0.000 1.131 410 D HN 0.241 nan 8.370 nan 0.000 0.423 411 V N 0.536 120.399 119.914 -0.085 0.000 2.656 411 V HA 0.759 4.913 4.120 0.056 0.000 0.307 411 V C -0.718 175.603 176.094 0.378 0.000 1.051 411 V CA -0.926 61.422 62.300 0.081 0.000 0.893 411 V CB 1.808 33.645 31.823 0.023 0.000 0.999 411 V HN 0.302 nan 8.190 nan 0.000 0.426 412 A N 3.966 126.986 122.820 0.334 0.000 2.414 412 A HA 0.790 5.144 4.320 0.056 0.000 0.306 412 A C -0.261 177.428 177.584 0.175 0.000 1.054 412 A CA -0.781 51.366 52.037 0.184 0.000 0.724 412 A CB 1.604 20.419 19.000 -0.307 0.000 1.267 412 A HN 0.755 nan 8.150 nan 0.000 0.418 413 R N 1.301 121.940 120.500 0.233 0.000 2.640 413 R HA 0.465 4.838 4.340 0.056 0.000 0.270 413 R C -0.365 175.724 176.300 -0.353 0.000 1.024 413 R CA 1.164 57.171 56.100 -0.155 0.000 1.085 413 R CB 0.319 30.607 30.300 -0.020 0.000 0.963 413 R HN 1.345 nan 8.270 nan 0.000 0.426 414 A N 1.804 124.122 122.820 -0.836 0.000 2.610 414 A HA 0.695 5.049 4.320 0.056 0.000 0.291 414 A C -1.064 175.952 177.584 -0.946 0.000 1.086 414 A CA -0.155 51.381 52.037 -0.834 0.000 0.677 414 A CB 1.892 20.153 19.000 -1.231 0.000 1.278 414 A HN 0.825 nan 8.150 nan 0.000 0.414 415 G N -0.356 108.220 108.800 -0.374 0.000 2.753 415 G HA2 0.547 4.540 3.960 0.056 0.000 0.297 415 G HA3 0.547 4.540 3.960 0.056 0.000 0.297 415 G C -1.529 173.556 174.900 0.309 0.000 1.430 415 G CA -0.210 44.928 45.100 0.063 0.000 1.040 415 G HN 0.974 nan 8.290 nan 0.000 0.530 416 W N 2.748 124.186 121.300 0.230 0.000 2.683 416 W HA 0.546 5.241 4.660 0.059 0.000 0.329 416 W C -1.243 175.121 176.519 -0.259 0.000 1.037 416 W CA -0.879 56.440 57.345 -0.044 0.000 1.232 416 W CB 1.971 31.349 29.460 -0.137 0.000 1.390 416 W HN 0.536 nan 8.180 nan 0.000 0.465 417 c N 4.210 122.308 118.600 -0.837 0.000 2.376 417 c HA 0.676 5.280 4.570 0.056 0.000 0.335 417 c C 0.909 174.496 174.090 -0.839 0.000 1.229 417 c CA -0.439 55.487 56.329 -0.673 0.000 1.867 417 c CB 0.618 42.788 42.510 -0.566 0.000 2.319 417 c HN 0.687 nan 8.230 nan 0.000 0.515 418 A N 2.286 124.875 122.820 -0.384 0.000 2.531 418 A HA 0.191 4.544 4.320 0.056 0.000 0.236 418 A C 0.839 178.295 177.584 -0.213 0.000 1.062 418 A CA 0.342 52.225 52.037 -0.256 0.000 0.760 418 A CB 0.204 19.206 19.000 0.004 0.000 0.995 418 A HN 0.932 nan 8.150 nan 0.000 0.501 419 D N -0.739 119.579 120.400 -0.136 0.000 2.338 419 D HA 0.151 4.825 4.640 0.056 0.000 0.208 419 D C -0.314 176.129 176.300 0.238 0.000 0.997 419 D CA 1.395 55.439 54.000 0.074 0.000 0.880 419 D CB 0.184 41.068 40.800 0.141 0.000 0.980 419 D HN 0.682 nan 8.370 nan 0.000 0.509 420 Y N -1.303 119.036 120.300 0.065 0.000 2.534 420 Y HA 0.484 5.066 4.550 0.053 0.000 0.345 420 Y C -0.639 175.259 175.900 -0.005 0.000 1.031 420 Y CA -1.585 56.532 58.100 0.028 0.000 1.022 420 Y CB 0.498 38.964 38.460 0.010 0.000 1.292 420 Y HN -0.401 nan 8.280 nan 0.000 0.459 421 N N 3.195 121.942 118.700 0.078 0.000 2.605 421 N HA 0.205 4.979 4.740 0.056 0.000 0.258 421 N C -1.123 174.350 175.510 -0.061 0.000 1.156 421 N CA 0.452 53.491 53.050 -0.018 0.000 1.008 421 N CB -0.167 38.340 38.487 0.033 0.000 1.354 421 N HN 0.789 nan 8.380 nan 0.000 0.509 422 E N 2.819 122.893 120.200 -0.210 0.000 2.400 422 E HA 0.199 4.582 4.350 0.056 0.000 0.285 422 E C -2.452 173.879 176.600 -0.449 0.000 1.005 422 E CA -1.304 54.922 56.400 -0.291 0.000 0.816 422 E CB 1.675 31.210 29.700 -0.276 0.000 1.220 422 E HN 0.100 nan 8.360 nan 0.000 0.426 423 P HA -0.116 nan 4.420 nan 0.000 0.219 423 P C 1.187 178.113 177.300 -0.623 0.000 1.146 423 P CA 1.984 64.689 63.100 -0.658 0.000 0.808 423 P CB 0.146 31.274 31.700 -0.954 0.000 0.779 424 T N -4.412 109.749 114.554 -0.654 0.000 2.962 424 T HA -0.108 4.275 4.350 0.056 0.000 0.270 424 T C 1.980 176.466 174.700 -0.357 0.000 1.088 424 T CA 1.283 63.166 62.100 -0.363 0.000 1.127 424 T CB -1.189 67.632 68.868 -0.078 0.000 0.883 424 T HN -0.015 nan 8.240 nan 0.000 0.493 425 S N -0.214 115.115 115.700 -0.618 0.000 2.419 425 S HA -0.007 4.496 4.470 0.056 0.000 0.235 425 S C 1.291 175.722 174.600 -0.282 0.000 1.019 425 S CA 0.752 58.528 58.200 -0.707 0.000 0.982 425 S CB -0.564 61.946 63.200 -1.151 0.000 0.789 425 S HN 0.576 nan 8.310 nan 0.000 0.490 426 F N 0.769 120.471 119.950 -0.414 0.000 2.222 426 F HA 0.337 4.896 4.527 0.053 0.000 0.285 426 F C 1.926 177.479 175.800 -0.412 0.000 1.068 426 F CA 0.484 58.150 58.000 -0.557 0.000 1.265 426 F CB -0.483 38.082 39.000 -0.724 0.000 1.087 426 F HN 0.087 nan 8.300 nan 0.000 0.511 427 L N 0.162 121.345 121.223 -0.066 0.000 2.127 427 L HA -0.250 4.123 4.340 0.056 0.000 0.211 427 L C 1.817 178.742 176.870 0.091 0.000 1.089 427 L CA 0.980 55.892 54.840 0.120 0.000 0.757 427 L CB -0.685 41.410 42.059 0.061 0.000 0.899 427 L HN 0.157 nan 8.230 nan 0.000 0.434 428 N N -0.558 118.026 118.700 -0.193 0.000 2.453 428 N HA -0.128 4.645 4.740 0.056 0.000 0.183 428 N C 1.886 177.232 175.510 -0.273 0.000 1.041 428 N CA 1.639 54.490 53.050 -0.330 0.000 0.900 428 N CB -0.348 37.545 38.487 -0.991 0.000 0.961 428 N HN 0.465 nan 8.380 nan 0.000 0.443 429 T N -2.441 111.924 114.554 -0.316 0.000 3.072 429 T HA 0.058 4.441 4.350 0.056 0.000 0.266 429 T C 1.402 175.979 174.700 -0.205 0.000 1.127 429 T CA 0.561 62.477 62.100 -0.307 0.000 1.107 429 T CB 0.018 68.433 68.868 -0.755 0.000 0.910 429 T HN -0.028 nan 8.240 nan 0.000 0.513 430 M N 0.726 120.259 119.600 -0.112 0.000 2.371 430 M HA 0.422 4.936 4.480 0.056 0.000 0.246 430 M C 0.252 176.575 176.300 0.038 0.000 1.103 430 M CA -0.155 55.036 55.300 -0.182 0.000 1.010 430 M CB -0.444 31.811 32.600 -0.575 0.000 1.457 430 M HN 0.288 nan 8.290 nan 0.000 0.486 431 L N 0.251 121.593 121.223 0.197 0.000 2.485 431 L HA 0.032 4.406 4.340 0.056 0.000 0.275 431 L C 1.742 178.675 176.870 0.106 0.000 1.207 431 L CA -0.284 54.702 54.840 0.245 0.000 0.855 431 L CB 0.445 42.634 42.059 0.216 0.000 1.114 431 L HN 0.197 nan 8.230 nan 0.000 0.485 432 S N 1.057 116.800 115.700 0.072 0.000 2.380 432 S HA -0.199 4.305 4.470 0.056 0.000 0.229 432 S C 1.141 175.748 174.600 0.010 0.000 1.043 432 S CA 1.902 60.100 58.200 -0.002 0.000 1.038 432 S CB -0.270 62.924 63.200 -0.009 0.000 0.872 432 S HN 0.911 nan 8.310 nan 0.000 0.456 433 D N 0.490 120.913 120.400 0.038 0.000 2.342 433 D HA 0.150 4.823 4.640 0.056 0.000 0.221 433 D C 0.265 176.590 176.300 0.042 0.000 1.101 433 D CA -0.052 53.968 54.000 0.034 0.000 0.837 433 D CB -0.310 40.514 40.800 0.039 0.000 0.938 433 D HN 0.142 nan 8.370 nan 0.000 0.508 434 S N 0.316 116.049 115.700 0.056 0.000 2.533 434 S HA 0.112 4.615 4.470 0.056 0.000 0.282 434 S C 1.563 176.170 174.600 0.012 0.000 1.304 434 S CA 0.063 58.310 58.200 0.077 0.000 1.063 434 S CB 0.756 64.019 63.200 0.105 0.000 0.881 434 S HN 0.302 nan 8.310 nan 0.000 0.493 435 S N 3.905 119.600 115.700 -0.008 0.000 2.469 435 S HA -0.093 4.410 4.470 0.056 0.000 0.238 435 S C 0.896 175.499 174.600 0.004 0.000 0.998 435 S CA 1.164 59.349 58.200 -0.026 0.000 0.957 435 S CB -0.600 62.558 63.200 -0.071 0.000 0.764 435 S HN 0.851 nan 8.310 nan 0.000 0.514 436 N N 1.606 120.286 118.700 -0.034 0.000 2.270 436 N HA 0.156 4.930 4.740 0.056 0.000 0.198 436 N C -0.077 175.316 175.510 -0.196 0.000 1.117 436 N CA -0.095 52.903 53.050 -0.086 0.000 0.845 436 N CB 0.006 38.389 38.487 -0.173 0.000 0.980 436 N HN 0.232 nan 8.380 nan 0.000 0.486 437 N N 1.160 119.755 118.700 -0.175 0.000 2.663 437 N HA 0.019 4.792 4.740 0.056 0.000 0.250 437 N C 0.463 175.713 175.510 -0.433 0.000 1.129 437 N CA 0.122 53.017 53.050 -0.259 0.000 0.995 437 N CB 0.296 38.678 38.487 -0.176 0.000 1.324 437 N HN 0.188 nan 8.380 nan 0.000 0.512 438 T N -1.269 113.031 114.554 -0.425 0.000 3.100 438 T HA 0.118 4.502 4.350 0.056 0.000 0.253 438 T C 1.588 176.179 174.700 -0.182 0.000 1.118 438 T CA 0.392 62.213 62.100 -0.464 0.000 1.058 438 T CB 0.173 68.754 68.868 -0.478 0.000 0.953 438 T HN 0.284 nan 8.240 nan 0.000 0.515 439 A N 1.041 123.764 122.820 -0.161 0.000 2.119 439 A HA 0.118 4.472 4.320 0.056 0.000 0.216 439 A C 0.850 178.482 177.584 0.079 0.000 1.152 439 A CA 0.670 52.707 52.037 -0.001 0.000 0.708 439 A CB -0.897 18.032 19.000 -0.119 0.000 0.805 439 A HN 0.712 nan 8.150 nan 0.000 0.460 440 H N -3.704 115.361 119.070 -0.007 0.000 2.770 440 H HA -0.228 4.362 4.556 0.056 0.000 0.309 440 H C -0.344 174.985 175.328 0.001 0.000 1.206 440 H CA 1.000 57.038 56.048 -0.016 0.000 1.147 440 H CB -2.260 27.476 29.762 -0.043 0.000 1.422 440 H HN 0.686 nan 8.280 nan 0.000 0.420 441 Y N 1.375 121.613 120.300 -0.104 0.000 2.320 441 Y HA 0.436 5.020 4.550 0.056 0.000 0.334 441 Y C -0.289 175.540 175.900 -0.117 0.000 1.055 441 Y CA -0.867 57.152 58.100 -0.134 0.000 1.143 441 Y CB 0.852 39.167 38.460 -0.241 0.000 1.193 441 Y HN 0.089 nan 8.280 nan 0.000 0.477 442 K N 5.123 125.174 120.400 -0.582 0.000 2.656 442 K HA 0.295 4.648 4.320 0.056 0.000 0.241 442 K C -1.289 174.974 176.600 -0.562 0.000 0.967 442 K CA -0.546 55.475 56.287 -0.444 0.000 0.946 442 K CB 1.506 33.891 32.500 -0.193 0.000 1.164 442 K HN 0.543 nan 8.250 nan 0.000 0.459 443 S N 3.303 118.643 115.700 -0.601 0.000 2.640 443 S HA 0.360 4.864 4.470 0.056 0.000 0.320 443 S C -2.086 172.483 174.600 -0.051 0.000 1.097 443 S CA -1.807 56.193 58.200 -0.333 0.000 1.092 443 S CB 1.042 64.039 63.200 -0.338 0.000 0.988 443 S HN 0.205 nan 8.310 nan 0.000 0.470 444 P HA -0.070 nan 4.420 nan 0.000 0.216 444 P C 1.407 178.737 177.300 0.051 0.000 1.150 444 P CA 1.488 64.596 63.100 0.014 0.000 0.843 444 P CB 0.110 31.809 31.700 -0.001 0.000 0.787 445 A N -1.228 121.631 122.820 0.066 0.000 1.873 445 A HA -0.186 4.167 4.320 0.056 0.000 0.215 445 A C 2.132 179.789 177.584 0.121 0.000 1.186 445 A CA 1.319 53.405 52.037 0.082 0.000 0.616 445 A CB -1.787 17.266 19.000 0.089 0.000 0.823 445 A HN 0.158 nan 8.150 nan 0.000 0.442 446 F N 1.331 121.312 119.950 0.053 0.000 2.075 446 F HA -0.211 4.349 4.527 0.055 0.000 0.297 446 F C 1.841 177.686 175.800 0.075 0.000 1.113 446 F CA 2.210 60.269 58.000 0.098 0.000 1.218 446 F CB -0.214 38.906 39.000 0.200 0.000 0.984 446 F HN 0.237 nan 8.300 nan 0.000 0.472 447 D N 0.444 120.971 120.400 0.212 0.000 2.133 447 D HA -0.230 4.443 4.640 0.056 0.000 0.195 447 D C 2.109 178.405 176.300 -0.007 0.000 0.997 447 D CA 1.597 55.658 54.000 0.101 0.000 0.840 447 D CB -0.437 40.431 40.800 0.113 0.000 0.947 447 D HN 0.191 nan 8.370 nan 0.000 0.452 448 K N 0.871 121.270 120.400 -0.001 0.000 2.057 448 K HA -0.039 4.315 4.320 0.056 0.000 0.207 448 K C 2.159 178.729 176.600 -0.051 0.000 1.049 448 K CA 0.755 57.034 56.287 -0.013 0.000 0.931 448 K CB -0.594 31.907 32.500 0.001 0.000 0.714 448 K HN 0.134 nan 8.250 nan 0.000 0.440 449 L N 0.345 121.510 121.223 -0.096 0.000 2.042 449 L HA -0.195 4.178 4.340 0.056 0.000 0.210 449 L C 2.173 178.958 176.870 -0.142 0.000 1.076 449 L CA 0.904 55.668 54.840 -0.127 0.000 0.749 449 L CB -0.488 41.473 42.059 -0.164 0.000 0.893 449 L HN 0.194 nan 8.230 nan 0.000 0.432 450 I N -0.083 120.361 120.570 -0.210 0.000 2.353 450 I HA -0.165 4.038 4.170 0.056 0.000 0.248 450 I C 2.845 178.967 176.117 0.008 0.000 1.119 450 I CA 1.336 62.575 61.300 -0.101 0.000 1.417 450 I CB -1.588 36.317 38.000 -0.159 0.000 1.078 450 I HN 0.151 nan 8.210 nan 0.000 0.421 451 A N 0.836 123.659 122.820 0.005 0.000 1.940 451 A HA -0.228 4.125 4.320 0.056 0.000 0.219 451 A C 1.908 179.492 177.584 -0.001 0.000 1.176 451 A CA 2.027 54.082 52.037 0.029 0.000 0.631 451 A CB -0.613 18.403 19.000 0.026 0.000 0.814 451 A HN 0.354 nan 8.150 nan 0.000 0.446 452 D N -0.585 119.803 120.400 -0.021 0.000 2.312 452 D HA -0.082 4.591 4.640 0.056 0.000 0.211 452 D C 2.193 178.467 176.300 -0.045 0.000 0.964 452 D CA 1.626 55.605 54.000 -0.034 0.000 0.877 452 D CB -0.495 40.279 40.800 -0.043 0.000 0.924 452 D HN 0.666 nan 8.370 nan 0.000 0.515 453 T N -1.410 113.121 114.554 -0.038 0.000 2.881 453 T HA -0.080 4.304 4.350 0.056 0.000 0.270 453 T C 1.778 176.473 174.700 -0.007 0.000 1.068 453 T CA 0.621 62.683 62.100 -0.063 0.000 1.131 453 T CB -0.225 68.629 68.868 -0.023 0.000 0.871 453 T HN 0.156 nan 8.240 nan 0.000 0.479 454 L N -0.473 120.753 121.223 0.005 0.000 2.700 454 L HA 0.387 4.761 4.340 0.056 0.000 0.234 454 L C 1.989 178.840 176.870 -0.032 0.000 1.156 454 L CA 0.063 54.895 54.840 -0.013 0.000 0.946 454 L CB 0.064 42.075 42.059 -0.079 0.000 1.216 454 L HN 0.164 nan 8.230 nan 0.000 0.493 455 K N 0.008 120.391 120.400 -0.029 0.000 2.358 455 K HA 0.135 4.489 4.320 0.056 0.000 0.197 455 K C 0.313 176.903 176.600 -0.017 0.000 1.025 455 K CA 0.036 56.309 56.287 -0.023 0.000 1.104 455 K CB 0.975 33.461 32.500 -0.024 0.000 0.855 455 K HN 0.165 nan 8.250 nan 0.000 0.531 456 V N -3.091 116.811 119.914 -0.020 0.000 2.994 456 V HA 0.748 4.901 4.120 0.056 0.000 0.318 456 V C -0.065 176.028 176.094 -0.002 0.000 1.085 456 V CA -0.881 61.409 62.300 -0.017 0.000 0.998 456 V CB 1.679 33.480 31.823 -0.038 0.000 1.063 456 V HN -0.082 nan 8.190 nan 0.000 0.447 457 A N 1.448 124.274 122.820 0.009 0.000 2.643 457 A HA 0.600 4.954 4.320 0.056 0.000 0.295 457 A C -0.138 177.462 177.584 0.027 0.000 1.065 457 A CA 0.244 52.299 52.037 0.030 0.000 0.986 457 A CB -0.766 18.265 19.000 0.053 0.000 1.212 457 A HN 1.078 nan 8.150 nan 0.000 0.516 458 D N -1.289 119.115 120.400 0.007 0.000 2.780 458 D HA 0.368 5.041 4.640 0.056 0.000 0.242 458 D C -0.167 176.126 176.300 -0.011 0.000 1.135 458 D CA -0.344 53.659 54.000 0.005 0.000 0.859 458 D CB 1.519 42.319 40.800 -0.000 0.000 1.530 458 D HN -0.099 nan 8.370 nan 0.000 0.493 459 D N 1.522 121.924 120.400 0.005 0.000 2.224 459 D HA -0.058 4.616 4.640 0.056 0.000 0.205 459 D C 1.364 177.648 176.300 -0.026 0.000 0.965 459 D CA 0.980 54.980 54.000 0.001 0.000 0.852 459 D CB 0.292 41.114 40.800 0.036 0.000 0.947 459 D HN 0.480 nan 8.370 nan 0.000 0.494 460 T N 0.526 115.068 114.554 -0.020 0.000 2.812 460 T HA -0.104 4.279 4.350 0.056 0.000 0.264 460 T C 1.956 176.621 174.700 -0.058 0.000 1.042 460 T CA 0.893 62.977 62.100 -0.027 0.000 1.140 460 T CB -0.032 68.829 68.868 -0.012 0.000 0.870 460 T HN 0.212 nan 8.240 nan 0.000 0.445 461 Q N 0.417 120.179 119.800 -0.063 0.000 2.079 461 Q HA -0.015 4.359 4.340 0.056 0.000 0.200 461 Q C 2.538 178.441 176.000 -0.162 0.000 0.974 461 Q CA 0.982 56.733 55.803 -0.085 0.000 0.840 461 Q CB -0.118 28.581 28.738 -0.064 0.000 0.898 461 Q HN 0.357 nan 8.270 nan 0.000 0.430 462 R N 0.202 120.583 120.500 -0.200 0.000 2.083 462 R HA -0.133 4.240 4.340 0.056 0.000 0.237 462 R C 2.327 178.239 176.300 -0.647 0.000 1.137 462 R CA 1.683 57.532 56.100 -0.419 0.000 0.951 462 R CB -0.115 30.005 30.300 -0.300 0.000 0.851 462 R HN 0.080 nan 8.270 nan 0.000 0.434 463 S N 0.483 115.990 115.700 -0.322 0.000 2.382 463 S HA -0.139 4.365 4.470 0.056 0.000 0.228 463 S C 1.558 176.096 174.600 -0.103 0.000 1.027 463 S CA 1.416 59.531 58.200 -0.142 0.000 0.991 463 S CB -0.110 63.083 63.200 -0.011 0.000 0.823 463 S HN 0.439 nan 8.310 nan 0.000 0.469 464 E N 0.646 120.779 120.200 -0.113 0.000 2.106 464 E HA -0.058 4.326 4.350 0.056 0.000 0.192 464 E C 2.000 178.556 176.600 -0.074 0.000 0.984 464 E CA 0.742 57.103 56.400 -0.065 0.000 0.806 464 E CB -0.205 29.462 29.700 -0.055 0.000 0.750 464 E HN 0.424 nan 8.360 nan 0.000 0.458 465 L N 0.125 121.256 121.223 -0.152 0.000 2.056 465 L HA -0.189 4.185 4.340 0.056 0.000 0.207 465 L C 2.314 179.147 176.870 -0.062 0.000 1.078 465 L CA 0.908 55.664 54.840 -0.140 0.000 0.749 465 L CB -0.399 41.533 42.059 -0.211 0.000 0.901 465 L HN 0.156 nan 8.230 nan 0.000 0.433 466 Y N -0.029 120.240 120.300 -0.052 0.000 2.165 466 Y HA -0.229 4.354 4.550 0.056 0.000 0.286 466 Y C 2.651 178.530 175.900 -0.036 0.000 1.155 466 Y CA 0.656 58.720 58.100 -0.060 0.000 1.164 466 Y CB -1.306 37.113 38.460 -0.068 0.000 0.978 466 Y HN 0.132 nan 8.280 nan 0.000 0.513 467 A N 0.296 123.189 122.820 0.122 0.000 1.902 467 A HA -0.173 4.181 4.320 0.056 0.000 0.217 467 A C 2.290 179.916 177.584 0.070 0.000 1.181 467 A CA 1.636 53.719 52.037 0.077 0.000 0.623 467 A CB -0.387 18.639 19.000 0.044 0.000 0.818 467 A HN 0.174 nan 8.150 nan 0.000 0.443 468 K N 0.018 120.447 120.400 0.048 0.000 2.097 468 K HA -0.005 4.348 4.320 0.056 0.000 0.206 468 K C 2.199 178.843 176.600 0.074 0.000 1.049 468 K CA 1.318 57.633 56.287 0.047 0.000 0.933 468 K CB -0.897 31.613 32.500 0.016 0.000 0.717 468 K HN 0.462 nan 8.250 nan 0.000 0.442 469 A N 1.741 124.597 122.820 0.059 0.000 1.930 469 A HA -0.151 4.202 4.320 0.056 0.000 0.217 469 A C 2.068 179.820 177.584 0.280 0.000 1.175 469 A CA 1.292 53.371 52.037 0.069 0.000 0.627 469 A CB -0.202 18.699 19.000 -0.166 0.000 0.815 469 A HN 0.212 nan 8.150 nan 0.000 0.443 470 E N -0.012 120.306 120.200 0.197 0.000 2.072 470 E HA -0.198 4.186 4.350 0.056 0.000 0.191 470 E C 2.194 178.887 176.600 0.155 0.000 0.985 470 E CA 1.279 57.785 56.400 0.175 0.000 0.801 470 E CB -0.352 29.415 29.700 0.110 0.000 0.750 470 E HN 0.769 nan 8.360 nan 0.000 0.452 471 Q N 0.334 120.214 119.800 0.135 0.000 2.124 471 Q HA -0.222 4.152 4.340 0.056 0.000 0.202 471 Q C 2.203 178.288 176.000 0.142 0.000 0.977 471 Q CA 1.442 57.320 55.803 0.125 0.000 0.850 471 Q CB -0.124 28.671 28.738 0.095 0.000 0.901 471 Q HN 0.115 nan 8.270 nan 0.000 0.429 472 Q N 0.833 120.740 119.800 0.178 0.000 2.084 472 Q HA -0.176 4.197 4.340 0.056 0.000 0.202 472 Q C 1.809 177.925 176.000 0.193 0.000 0.978 472 Q CA 1.160 57.093 55.803 0.217 0.000 0.844 472 Q CB -0.234 28.691 28.738 0.312 0.000 0.898 472 Q HN 0.305 nan 8.270 nan 0.000 0.426 473 L N 0.486 121.800 121.223 0.151 0.000 2.056 473 L HA -0.112 4.261 4.340 0.056 0.000 0.207 473 L C 1.761 178.573 176.870 -0.097 0.000 1.078 473 L CA 2.315 57.080 54.840 -0.126 0.000 0.749 473 L CB -0.763 41.189 42.059 -0.177 0.000 0.901 473 L HN 0.367 nan 8.230 nan 0.000 0.433 474 D N -0.524 119.896 120.400 0.034 0.000 2.117 474 D HA -0.249 4.425 4.640 0.056 0.000 0.198 474 D C 2.209 178.555 176.300 0.075 0.000 0.982 474 D CA 1.644 55.701 54.000 0.095 0.000 0.828 474 D CB -0.056 40.880 40.800 0.226 0.000 0.967 474 D HN 0.481 nan 8.370 nan 0.000 0.464 475 K N -0.222 120.233 120.400 0.092 0.000 2.148 475 K HA -0.116 4.238 4.320 0.056 0.000 0.204 475 K C 1.014 177.646 176.600 0.055 0.000 1.050 475 K CA 1.491 57.828 56.287 0.082 0.000 0.942 475 K CB -0.036 32.522 32.500 0.097 0.000 0.724 475 K HN -0.002 nan 8.250 nan 0.000 0.446 476 D N 0.886 121.320 120.400 0.058 0.000 2.355 476 D HA 0.016 4.689 4.640 0.056 0.000 0.218 476 D C -0.253 176.043 176.300 -0.007 0.000 1.004 476 D CA 0.449 54.488 54.000 0.065 0.000 0.880 476 D CB 0.210 41.127 40.800 0.194 0.000 0.911 476 D HN 0.154 nan 8.370 nan 0.000 0.528 477 S N -0.067 115.595 115.700 -0.063 0.000 3.550 477 S HA -0.254 4.249 4.470 0.056 0.000 0.372 477 S C 1.415 175.930 174.600 -0.141 0.000 0.966 477 S CA 0.285 58.421 58.200 -0.107 0.000 1.229 477 S CB -1.157 61.981 63.200 -0.103 0.000 0.917 477 S HN 0.510 nan 8.310 nan 0.000 0.496 478 A N 0.315 122.968 122.820 -0.278 0.000 1.933 478 A HA 0.233 4.587 4.320 0.056 0.000 0.218 478 A C 0.978 178.401 177.584 -0.269 0.000 1.175 478 A CA 1.538 53.338 52.037 -0.395 0.000 0.628 478 A CB -0.423 17.978 19.000 -0.998 0.000 0.814 478 A HN 1.047 nan 8.150 nan 0.000 0.444 479 I N -5.587 114.839 120.570 -0.241 0.000 3.239 479 I HA 0.654 4.858 4.170 0.056 0.000 0.314 479 I C -1.066 175.056 176.117 0.009 0.000 1.126 479 I CA -1.344 59.897 61.300 -0.098 0.000 0.973 479 I CB 2.279 40.150 38.000 -0.215 0.000 1.252 479 I HN -0.251 nan 8.210 nan 0.000 0.463 480 V N 2.432 122.447 119.914 0.167 0.000 2.293 480 V HA 0.401 4.554 4.120 0.056 0.000 0.275 480 V C -2.369 173.887 176.094 0.270 0.000 1.021 480 V CA -1.563 60.874 62.300 0.230 0.000 0.815 480 V CB 0.603 32.661 31.823 0.391 0.000 1.025 480 V HN 0.595 nan 8.190 nan 0.000 0.448 481 P HA 0.183 nan 4.420 nan 0.000 0.268 481 P C 0.445 177.858 177.300 0.188 0.000 1.205 481 P CA 0.290 63.490 63.100 0.167 0.000 0.771 481 P CB 1.455 33.213 31.700 0.097 0.000 0.858 482 V N 1.995 121.969 119.914 0.100 0.000 2.950 482 V HA 0.208 4.361 4.120 0.056 0.000 0.231 482 V C -0.123 176.004 176.094 0.055 0.000 1.205 482 V CA 1.023 63.389 62.300 0.110 0.000 1.239 482 V CB -0.500 31.382 31.823 0.097 0.000 1.050 482 V HN 0.590 nan 8.190 nan 0.000 0.498 483 Y N -2.240 117.976 120.300 -0.139 0.000 2.624 483 Y HA 0.736 5.318 4.550 0.054 0.000 0.334 483 Y C -1.651 174.072 175.900 -0.296 0.000 1.155 483 Y CA -2.474 55.463 58.100 -0.271 0.000 1.046 483 Y CB 0.530 38.873 38.460 -0.196 0.000 1.316 483 Y HN 0.081 nan 8.280 nan 0.000 0.457 484 Y N 1.591 122.100 120.300 0.349 0.000 2.327 484 Y HA 0.422 5.006 4.550 0.056 0.000 0.336 484 Y C -0.355 175.852 175.900 0.512 0.000 1.035 484 Y CA -0.916 57.397 58.100 0.354 0.000 1.165 484 Y CB 0.213 38.876 38.460 0.338 0.000 1.181 484 Y HN 0.553 nan 8.280 nan 0.000 0.494 485 Y N 1.678 122.270 120.300 0.486 0.000 2.357 485 Y HA 0.351 4.935 4.550 0.056 0.000 0.340 485 Y C 0.556 176.682 175.900 0.377 0.000 1.260 485 Y CA -0.712 57.663 58.100 0.458 0.000 1.425 485 Y CB 0.485 39.135 38.460 0.318 0.000 1.326 485 Y HN 0.410 nan 8.280 nan 0.000 0.580 486 V N -0.169 120.028 119.914 0.471 0.000 2.815 486 V HA 0.511 4.664 4.120 0.056 0.000 0.314 486 V C -0.504 175.804 176.094 0.357 0.000 1.064 486 V CA -1.291 61.206 62.300 0.328 0.000 0.952 486 V CB 1.938 33.841 31.823 0.134 0.000 1.020 486 V HN 0.747 nan 8.190 nan 0.000 0.439 487 N N 2.513 121.305 118.700 0.153 0.000 2.602 487 N HA 0.546 5.319 4.740 0.056 0.000 0.238 487 N C -0.373 175.081 175.510 -0.094 0.000 1.084 487 N CA 0.168 53.116 53.050 -0.171 0.000 0.952 487 N CB 0.662 38.795 38.487 -0.590 0.000 1.244 487 N HN 1.180 nan 8.380 nan 0.000 0.512 488 A N 4.086 126.865 122.820 -0.068 0.000 2.287 488 A HA 0.785 5.139 4.320 0.056 0.000 0.317 488 A C -0.151 177.361 177.584 -0.119 0.000 1.220 488 A CA -0.699 51.300 52.037 -0.064 0.000 0.835 488 A CB 0.580 19.514 19.000 -0.111 0.000 1.180 488 A HN 0.818 nan 8.150 nan 0.000 0.500 489 R N 1.548 121.976 120.500 -0.120 0.000 2.716 489 R HA 0.728 5.101 4.340 0.056 0.000 0.271 489 R C -1.847 174.307 176.300 -0.243 0.000 1.028 489 R CA -0.955 55.021 56.100 -0.207 0.000 0.883 489 R CB 0.924 31.055 30.300 -0.282 0.000 1.250 489 R HN 0.411 nan 8.270 nan 0.000 0.465 490 L N 1.418 122.404 121.223 -0.395 0.000 2.307 490 L HA 0.680 5.053 4.340 0.056 0.000 0.282 490 L C -0.707 175.890 176.870 -0.454 0.000 1.051 490 L CA -1.308 53.191 54.840 -0.568 0.000 0.804 490 L CB 1.894 43.194 42.059 -1.266 0.000 1.197 490 L HN 0.347 nan 8.230 nan 0.000 0.431 491 V N 3.034 122.805 119.914 -0.237 0.000 2.525 491 V HA 0.305 4.458 4.120 0.056 0.000 0.299 491 V C -0.037 175.971 176.094 -0.144 0.000 1.034 491 V CA -1.131 61.070 62.300 -0.165 0.000 0.863 491 V CB 1.815 33.481 31.823 -0.261 0.000 0.999 491 V HN 0.606 nan 8.190 nan 0.000 0.423 492 K N 4.919 125.139 120.400 -0.300 0.000 2.414 492 K HA 0.161 4.514 4.320 0.056 0.000 0.272 492 K C -1.614 174.515 176.600 -0.784 0.000 0.993 492 K CA -1.471 54.305 56.287 -0.852 0.000 0.964 492 K CB 0.895 32.311 32.500 -1.808 0.000 0.925 492 K HN 0.286 nan 8.250 nan 0.000 0.487 493 P HA -0.135 nan 4.420 nan 0.000 0.219 493 P C 0.735 177.907 177.300 -0.213 0.000 1.146 493 P CA 1.279 64.180 63.100 -0.333 0.000 0.808 493 P CB -0.071 31.527 31.700 -0.170 0.000 0.779 494 W N -1.778 119.406 121.300 -0.194 0.000 3.256 494 W HA 0.291 4.985 4.660 0.056 0.000 0.269 494 W C -0.413 175.999 176.519 -0.178 0.000 1.310 494 W CA -0.184 57.039 57.345 -0.203 0.000 1.673 494 W CB -1.281 27.901 29.460 -0.463 0.000 1.115 494 W HN -0.383 nan 8.180 nan 0.000 0.686 495 V N 3.102 122.888 119.914 -0.212 0.000 2.389 495 V HA 0.593 4.747 4.120 0.056 0.000 0.264 495 V C 0.900 176.830 176.094 -0.272 0.000 1.049 495 V CA -0.270 61.916 62.300 -0.190 0.000 0.932 495 V CB 0.042 31.727 31.823 -0.229 0.000 1.011 495 V HN 0.199 nan 8.190 nan 0.000 0.475 496 G N 2.626 111.095 108.800 -0.552 0.000 2.437 496 G HA2 0.567 4.561 3.960 0.056 0.000 0.319 496 G HA3 0.567 4.561 3.960 0.056 0.000 0.319 496 G C 0.815 175.220 174.900 -0.826 0.000 1.158 496 G CA 0.130 44.673 45.100 -0.928 0.000 0.899 496 G HN 1.421 nan 8.290 nan 0.000 0.502 497 G N -1.030 107.572 108.800 -0.330 0.000 2.213 497 G HA2 -0.260 3.734 3.960 0.056 0.000 0.226 497 G HA3 -0.260 3.734 3.960 0.056 0.000 0.226 497 G C 0.217 175.148 174.900 0.052 0.000 0.992 497 G CA 0.549 45.642 45.100 -0.010 0.000 0.632 497 G HN 1.193 nan 8.290 nan 0.000 0.511 498 Y N 3.289 123.529 120.300 -0.099 0.000 2.595 498 Y HA 0.468 5.071 4.550 0.088 0.000 0.347 498 Y C 1.831 177.697 175.900 -0.057 0.000 1.025 498 Y CA 0.587 58.642 58.100 -0.073 0.000 1.295 498 Y CB 0.775 39.171 38.460 -0.106 0.000 1.147 498 Y HN 0.260 nan 8.280 nan 0.000 0.515 499 T N 0.565 114.896 114.554 -0.372 0.000 2.896 499 T HA 0.106 4.490 4.350 0.056 0.000 0.263 499 T C 1.709 176.150 174.700 -0.432 0.000 1.050 499 T CA 0.852 62.780 62.100 -0.286 0.000 1.140 499 T CB -0.524 68.245 68.868 -0.165 0.000 0.877 499 T HN 1.223 nan 8.240 nan 0.000 0.457 500 G N 1.321 109.654 108.800 -0.778 0.000 2.162 500 G HA2 -0.262 3.731 3.960 0.056 0.000 0.260 500 G HA3 -0.262 3.731 3.960 0.056 0.000 0.260 500 G C 0.955 175.675 174.900 -0.300 0.000 0.976 500 G CA 0.474 45.206 45.100 -0.614 0.000 0.655 500 G HN 0.492 nan 8.290 nan 0.000 0.533 501 K N 0.255 120.511 120.400 -0.239 0.000 2.365 501 K HA 0.030 4.384 4.320 0.056 0.000 0.197 501 K C 0.655 177.187 176.600 -0.113 0.000 1.042 501 K CA 0.467 56.672 56.287 -0.137 0.000 0.987 501 K CB 0.068 32.504 32.500 -0.105 0.000 0.779 501 K HN 0.490 nan 8.250 nan 0.000 0.484 502 D N 1.922 122.243 120.400 -0.130 0.000 2.336 502 D HA 0.039 4.713 4.640 0.056 0.000 0.249 502 D C -1.647 174.640 176.300 -0.021 0.000 1.213 502 D CA -2.200 51.757 54.000 -0.071 0.000 0.870 502 D CB 1.408 42.178 40.800 -0.050 0.000 1.076 502 D HN -0.064 nan 8.370 nan 0.000 0.483 503 P HA -0.030 nan 4.420 nan 0.000 0.233 503 P C 1.174 178.599 177.300 0.208 0.000 1.167 503 P CA 0.418 63.596 63.100 0.132 0.000 0.770 503 P CB 0.428 32.217 31.700 0.148 0.000 0.837 504 L N -0.893 120.412 121.223 0.137 0.000 2.567 504 L HA 0.120 4.494 4.340 0.056 0.000 0.225 504 L C 0.537 177.497 176.870 0.149 0.000 1.119 504 L CA 0.304 55.232 54.840 0.148 0.000 0.871 504 L CB -1.057 41.053 42.059 0.086 0.000 1.036 504 L HN 0.020 nan 8.230 nan 0.000 0.459 505 D N 1.291 121.729 120.400 0.064 0.000 2.723 505 D HA -0.204 4.470 4.640 0.056 0.000 0.236 505 D C 0.074 176.378 176.300 0.006 0.000 1.138 505 D CA 0.310 54.301 54.000 -0.015 0.000 0.676 505 D CB -0.836 39.880 40.800 -0.140 0.000 1.069 505 D HN 0.137 nan 8.370 nan 0.000 0.430 506 N N 1.229 119.941 118.700 0.020 0.000 3.124 506 N HA 0.100 4.873 4.740 0.056 0.000 0.284 506 N C 0.077 175.560 175.510 -0.046 0.000 1.209 506 N CA -0.168 52.863 53.050 -0.032 0.000 1.149 506 N CB 0.110 38.627 38.487 0.050 0.000 1.434 506 N HN 0.333 nan 8.380 nan 0.000 0.529 507 I N 1.648 122.180 120.570 -0.063 0.000 2.575 507 I HA 0.088 4.291 4.170 0.056 0.000 0.285 507 I C 0.158 176.191 176.117 -0.140 0.000 1.085 507 I CA -0.334 60.980 61.300 0.025 0.000 1.403 507 I CB -0.230 37.819 38.000 0.082 0.000 1.409 507 I HN 0.191 nan 8.210 nan 0.000 0.557 508 Y N 3.781 124.126 120.300 0.074 0.000 2.331 508 Y HA 0.282 4.862 4.550 0.050 0.000 0.334 508 Y C 1.022 176.971 175.900 0.082 0.000 0.960 508 Y CA -0.641 57.502 58.100 0.073 0.000 1.130 508 Y CB 1.694 40.202 38.460 0.080 0.000 1.164 508 Y HN 0.250 nan 8.280 nan 0.000 0.458 509 V N 3.158 123.168 119.914 0.160 0.000 2.720 509 V HA -0.281 3.872 4.120 0.056 0.000 0.256 509 V C 2.102 178.347 176.094 0.252 0.000 1.082 509 V CA 2.092 64.441 62.300 0.081 0.000 1.101 509 V CB -0.493 31.207 31.823 -0.205 0.000 0.693 509 V HN 0.800 nan 8.190 nan 0.000 0.479 510 K N 0.367 121.002 120.400 0.392 0.000 2.360 510 K HA -0.175 4.178 4.320 0.056 0.000 0.201 510 K C 1.304 178.026 176.600 0.204 0.000 1.046 510 K CA 1.722 58.181 56.287 0.287 0.000 0.945 510 K CB -0.303 32.286 32.500 0.149 0.000 0.750 510 K HN 0.405 nan 8.250 nan 0.000 0.464 511 N N 0.585 119.413 118.700 0.213 0.000 2.353 511 N HA 0.146 4.920 4.740 0.056 0.000 0.185 511 N C 0.224 175.870 175.510 0.225 0.000 1.098 511 N CA 0.286 53.454 53.050 0.196 0.000 0.872 511 N CB 0.197 38.797 38.487 0.188 0.000 0.970 511 N HN 0.190 nan 8.380 nan 0.000 0.467 512 L N 0.178 121.517 121.223 0.194 0.000 2.365 512 L HA 0.467 4.841 4.340 0.056 0.000 0.267 512 L C -0.694 176.306 176.870 0.217 0.000 1.033 512 L CA -1.168 53.739 54.840 0.111 0.000 0.802 512 L CB 0.944 43.019 42.059 0.027 0.000 1.267 512 L HN 0.088 nan 8.230 nan 0.000 0.457 513 Y N -1.329 119.023 120.300 0.086 0.000 2.592 513 Y HA 0.594 5.166 4.550 0.035 0.000 0.334 513 Y C -1.282 174.681 175.900 0.105 0.000 1.136 513 Y CA -1.424 56.729 58.100 0.087 0.000 1.042 513 Y CB 0.833 39.339 38.460 0.077 0.000 1.325 513 Y HN 0.106 nan 8.280 nan 0.000 0.457 514 I N 4.237 124.956 120.570 0.249 0.000 2.321 514 I HA 0.364 4.568 4.170 0.056 0.000 0.291 514 I C 0.014 176.302 176.117 0.285 0.000 0.998 514 I CA -1.083 60.353 61.300 0.227 0.000 1.227 514 I CB 0.980 39.096 38.000 0.195 0.000 1.368 514 I HN 0.650 nan 8.210 nan 0.000 0.466 515 I N 5.145 125.896 120.570 0.301 0.000 2.472 515 I HA 0.165 4.368 4.170 0.056 0.000 0.290 515 I C 0.907 177.195 176.117 0.285 0.000 1.016 515 I CA -0.691 60.785 61.300 0.293 0.000 1.348 515 I CB 0.693 38.859 38.000 0.277 0.000 1.417 515 I HN 0.483 nan 8.210 nan 0.000 0.521 516 K N 5.982 126.493 120.400 0.185 0.000 2.511 516 K HA 0.011 4.365 4.320 0.056 0.000 0.280 516 K C -0.405 176.284 176.600 0.148 0.000 1.008 516 K CA 0.478 56.826 56.287 0.102 0.000 1.050 516 K CB 0.249 32.772 32.500 0.039 0.000 0.889 516 K HN 0.694 nan 8.250 nan 0.000 0.484 517 H N 0.000 119.007 119.070 -0.105 0.000 2.539 517 H HA 0.000 4.590 4.556 0.057 0.000 0.296 517 H CA 0.000 55.972 56.048 -0.127 0.000 1.023 517 H CB 0.000 29.662 29.762 -0.167 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496