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 2oas_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAIVCQSALE AVSLIRSGET LWTHSXGATP KVLLDALAKH ALTLDNITLL DATA SEQUENCE QLHTEGAESL SHPSLLGHLR HRCFFGGVPT RPLLQSGDAD YVPIFLSEVP DATA SEQUENCE KLFRSGEQKI DTAIIQVSPP DKHGXCSLGI SVEATLAACQ VAGKIIAHIN DATA SEQUENCE PQXPRTHGDG FIHIDRFAAV YEQSASLPIH SFATGDAVSL AIGQHVAELV DATA SEQUENCE RDGDCLQXGI GAIPDAVLSC LTGHKDLGVH TELFSDGILQ LVEKGVINNT DATA SEQUENCE KKRFYPGKLV TGFALGSQKL YDYVDDNPAV IFXDIEQVND TSIIRKNPNV DATA SEQUENCE XAINSALQVD LTGQVCADSI GTKIYSGVGG QXDFIRGAGL SEGGRSVIAL DATA SEQUENCE PSTAAGGRIS RIASVLSPGA GVVTTRAHVH YIVTEYGAAN LKGRSLRERA DATA SEQUENCE QALINIAHPD FREQLSRDAF EVWGLNL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.330 177.300 0.051 0.000 1.155 2 P CA 0.000 63.122 63.100 0.037 0.000 0.800 2 P CB 0.000 31.718 31.700 0.031 0.000 0.726 3 A N 0.926 123.783 122.820 0.062 0.000 2.322 3 A HA 0.649 4.969 4.320 -0.000 0.000 0.269 3 A C 0.291 177.920 177.584 0.076 0.000 1.094 3 A CA -0.453 51.639 52.037 0.092 0.000 0.807 3 A CB 0.409 19.490 19.000 0.136 0.000 1.047 3 A HN 0.261 nan 8.150 nan 0.000 0.487 4 I N 2.046 122.663 120.570 0.077 0.000 2.325 4 I HA 0.148 4.318 4.170 -0.000 0.000 0.291 4 I C -0.389 175.771 176.117 0.073 0.000 1.019 4 I CA -0.453 60.883 61.300 0.061 0.000 1.302 4 I CB 1.387 39.415 38.000 0.047 0.000 1.401 4 I HN 0.254 nan 8.210 nan 0.000 0.485 5 V N 6.444 126.397 119.914 0.065 0.000 2.326 5 V HA 0.038 4.158 4.120 -0.000 0.000 0.249 5 V C 0.449 176.594 176.094 0.085 0.000 1.114 5 V CA -0.390 61.955 62.300 0.075 0.000 1.028 5 V CB -0.480 31.377 31.823 0.056 0.000 1.170 5 V HN 0.830 nan 8.190 nan 0.000 0.494 6 C N 3.693 123.060 119.300 0.112 0.000 2.689 6 C HA 0.112 4.571 4.460 -0.000 0.000 0.409 6 C C 1.774 176.874 174.990 0.184 0.000 1.293 6 C CA -0.183 58.902 59.018 0.112 0.000 2.136 6 C CB 0.539 28.332 27.740 0.089 0.000 2.719 6 C HN 0.836 nan 8.230 nan 0.000 0.644 7 Q N 0.653 120.525 119.800 0.119 0.000 2.356 7 Q HA 0.139 4.479 4.340 -0.000 0.000 0.205 7 Q C 0.558 176.644 176.000 0.144 0.000 0.901 7 Q CA 0.327 56.220 55.803 0.151 0.000 0.938 7 Q CB 0.271 29.053 28.738 0.073 0.000 1.081 7 Q HN 0.952 nan 8.270 nan 0.000 0.517 8 S N -3.023 112.626 115.700 -0.086 0.000 2.570 8 S HA 0.716 5.185 4.470 -0.000 0.000 0.270 8 S C 0.447 174.522 174.600 -0.876 0.000 1.149 8 S CA -0.422 57.481 58.200 -0.495 0.000 0.837 8 S CB 1.093 64.139 63.200 -0.257 0.000 1.124 8 S HN -0.015 nan 8.310 nan 0.000 0.465 9 A N 1.236 123.312 122.820 -1.240 0.000 1.933 9 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 9 A C 1.903 179.250 177.584 -0.395 0.000 1.175 9 A CA 1.433 52.988 52.037 -0.803 0.000 0.628 9 A CB -0.933 17.728 19.000 -0.565 0.000 0.814 9 A HN 0.937 nan 8.150 nan 0.000 0.444 10 L N -0.753 120.274 121.223 -0.327 0.000 2.093 10 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 10 L C 2.539 179.266 176.870 -0.239 0.000 1.085 10 L CA 1.993 56.694 54.840 -0.231 0.000 0.755 10 L CB -0.249 41.710 42.059 -0.166 0.000 0.904 10 L HN 0.642 nan 8.230 nan 0.000 0.435 11 E N -0.328 119.744 120.200 -0.214 0.000 2.106 11 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 11 E C 2.052 178.563 176.600 -0.148 0.000 0.984 11 E CA 1.067 57.373 56.400 -0.156 0.000 0.806 11 E CB 0.009 29.646 29.700 -0.104 0.000 0.750 11 E HN 0.597 nan 8.360 nan 0.000 0.458 12 A N 0.375 123.107 122.820 -0.147 0.000 1.873 12 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 12 A C 2.339 179.842 177.584 -0.135 0.000 1.186 12 A CA 1.232 53.214 52.037 -0.091 0.000 0.616 12 A CB -0.519 18.461 19.000 -0.034 0.000 0.823 12 A HN 0.213 nan 8.150 nan 0.000 0.442 13 V N 0.177 119.973 119.914 -0.197 0.000 2.759 13 V HA -0.181 3.938 4.120 -0.000 0.000 0.256 13 V C 2.618 178.446 176.094 -0.442 0.000 1.080 13 V CA 1.913 64.075 62.300 -0.230 0.000 1.101 13 V CB -0.748 30.956 31.823 -0.198 0.000 0.698 13 V HN 0.535 nan 8.190 nan 0.000 0.477 14 S N 0.523 115.886 115.700 -0.561 0.000 2.387 14 S HA -0.213 4.256 4.470 -0.000 0.000 0.230 14 S C 1.846 176.300 174.600 -0.244 0.000 1.035 14 S CA 1.507 59.305 58.200 -0.671 0.000 1.014 14 S CB -0.386 62.621 63.200 -0.322 0.000 0.836 14 S HN 0.422 nan 8.310 nan 0.000 0.466 15 L N 1.211 122.356 121.223 -0.130 0.000 2.187 15 L HA 0.011 4.351 4.340 -0.000 0.000 0.213 15 L C 0.831 177.715 176.870 0.023 0.000 1.100 15 L CA 0.976 55.798 54.840 -0.029 0.000 0.765 15 L CB -0.975 41.072 42.059 -0.020 0.000 0.904 15 L HN 0.302 nan 8.230 nan 0.000 0.437 16 I N 0.736 121.327 120.570 0.035 0.000 2.683 16 I HA -0.059 4.111 4.170 -0.000 0.000 0.286 16 I C 0.683 176.898 176.117 0.165 0.000 1.175 16 I CA 0.279 61.638 61.300 0.097 0.000 1.429 16 I CB 0.053 38.123 38.000 0.116 0.000 1.371 16 I HN 0.148 nan 8.210 nan 0.000 0.569 17 R N 3.928 124.479 120.500 0.085 0.000 2.856 17 R HA 0.489 4.829 4.340 -0.000 0.000 0.258 17 R C -0.379 175.936 176.300 0.024 0.000 1.066 17 R CA -0.863 55.273 56.100 0.059 0.000 1.045 17 R CB 1.642 31.965 30.300 0.039 0.000 1.178 17 R HN 0.510 nan 8.270 nan 0.000 0.499 18 S N -0.171 115.530 115.700 0.002 0.000 2.573 18 S HA 0.259 4.729 4.470 -0.000 0.000 0.277 18 S C 1.106 175.701 174.600 -0.009 0.000 1.346 18 S CA 0.898 59.090 58.200 -0.013 0.000 1.034 18 S CB 0.576 63.763 63.200 -0.022 0.000 0.879 18 S HN 0.829 nan 8.310 nan 0.000 0.528 19 G N 1.299 110.090 108.800 -0.015 0.000 2.184 19 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.264 19 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.264 19 G C -0.124 174.772 174.900 -0.006 0.000 0.975 19 G CA 0.327 45.419 45.100 -0.013 0.000 0.642 19 G HN 0.693 nan 8.290 nan 0.000 0.536 20 E N 0.591 120.790 120.200 -0.002 0.000 2.390 20 E HA 0.426 4.776 4.350 -0.000 0.000 0.261 20 E C -0.117 176.484 176.600 0.002 0.000 1.076 20 E CA 0.307 56.710 56.400 0.004 0.000 0.905 20 E CB 0.551 30.258 29.700 0.011 0.000 0.984 20 E HN 0.137 nan 8.360 nan 0.000 0.427 21 T N 3.065 117.625 114.554 0.009 0.000 2.749 21 T HA 0.383 4.732 4.350 -0.000 0.000 0.287 21 T C -0.136 174.580 174.700 0.026 0.000 0.970 21 T CA -0.499 61.611 62.100 0.017 0.000 0.980 21 T CB 0.221 69.106 68.868 0.029 0.000 0.924 21 T HN 0.194 nan 8.240 nan 0.000 0.456 22 L N 2.662 123.904 121.223 0.031 0.000 2.334 22 L HA 0.673 5.013 4.340 -0.000 0.000 0.272 22 L C -0.473 176.468 176.870 0.118 0.000 1.020 22 L CA -1.069 53.800 54.840 0.047 0.000 0.812 22 L CB 1.856 43.916 42.059 0.003 0.000 1.264 22 L HN 0.599 nan 8.230 nan 0.000 0.439 23 W N 1.636 122.901 121.300 -0.059 0.000 2.819 23 W HA 0.530 5.190 4.660 -0.000 0.000 0.337 23 W C -1.397 175.117 176.519 -0.009 0.000 1.077 23 W CA -0.488 56.838 57.345 -0.032 0.000 1.226 23 W CB 2.172 31.566 29.460 -0.110 0.000 1.419 23 W HN 0.450 nan 8.180 nan 0.000 0.502 24 T N 3.284 117.180 114.554 -1.096 0.000 2.876 24 T HA 0.271 4.621 4.350 -0.000 0.000 0.289 24 T C -0.783 173.452 174.700 -0.775 0.000 1.014 24 T CA -0.343 61.342 62.100 -0.692 0.000 0.986 24 T CB 0.809 69.440 68.868 -0.394 0.000 1.021 24 T HN 0.540 nan 8.240 nan 0.000 0.458 25 H N 2.479 121.365 119.070 -0.308 0.000 3.001 25 H HA 0.284 4.840 4.556 -0.000 0.000 0.334 25 H C 0.337 175.551 175.328 -0.190 0.000 1.034 25 H CA 0.167 56.162 56.048 -0.089 0.000 1.420 25 H CB 0.545 30.289 29.762 -0.030 0.000 1.405 25 H HN 0.517 nan 8.280 nan 0.000 0.593 29 A N 0.662 123.304 122.820 -0.296 0.000 2.308 29 A HA 0.472 4.792 4.320 -0.000 0.000 0.217 29 A C 1.189 178.609 177.584 -0.274 0.000 1.216 29 A CA 0.877 52.648 52.037 -0.444 0.000 0.864 29 A CB -0.307 18.056 19.000 -1.062 0.000 0.902 29 A HN 0.253 nan 8.150 nan 0.000 0.499 30 T N 3.457 117.916 114.554 -0.159 0.000 2.709 30 T HA 0.128 4.478 4.350 -0.000 0.000 0.269 30 T C -2.436 172.245 174.700 -0.033 0.000 1.008 30 T CA 0.205 62.257 62.100 -0.080 0.000 1.194 30 T CB 0.179 69.004 68.868 -0.072 0.000 0.986 30 T HN 0.142 nan 8.240 nan 0.000 0.508 31 P HA 0.160 nan 4.420 nan 0.000 0.235 31 P C 0.831 178.120 177.300 -0.019 0.000 1.765 31 P CA -0.221 62.905 63.100 0.043 0.000 1.034 31 P CB 0.134 31.872 31.700 0.063 0.000 1.984 32 K N 0.938 121.323 120.400 -0.024 0.000 2.044 32 K HA -0.166 4.153 4.320 -0.000 0.000 0.210 32 K C 1.480 178.033 176.600 -0.078 0.000 1.049 32 K CA 1.654 57.917 56.287 -0.041 0.000 0.927 32 K CB -0.393 32.095 32.500 -0.020 0.000 0.713 32 K HN 0.023 nan 8.250 nan 0.000 0.443 33 V N 1.176 121.006 119.914 -0.140 0.000 2.332 33 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 33 V C 2.275 178.264 176.094 -0.175 0.000 1.055 33 V CA 1.447 63.626 62.300 -0.202 0.000 1.038 33 V CB -0.390 31.158 31.823 -0.458 0.000 0.651 33 V HN 0.286 nan 8.190 nan 0.000 0.450 34 L N -1.142 119.987 121.223 -0.158 0.000 2.162 34 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 34 L C 2.116 178.938 176.870 -0.080 0.000 1.086 34 L CA 1.488 56.265 54.840 -0.105 0.000 0.778 34 L CB -0.647 41.381 42.059 -0.051 0.000 0.928 34 L HN 0.205 nan 8.230 nan 0.000 0.446 35 L N -0.797 120.387 121.223 -0.064 0.000 2.201 35 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 35 L C 1.904 178.746 176.870 -0.047 0.000 1.105 35 L CA 0.808 55.620 54.840 -0.048 0.000 0.775 35 L CB -0.500 41.535 42.059 -0.039 0.000 0.913 35 L HN 0.253 nan 8.230 nan 0.000 0.440 36 D N 0.151 120.515 120.400 -0.059 0.000 2.183 36 D HA -0.092 4.548 4.640 -0.000 0.000 0.203 36 D C 2.217 178.476 176.300 -0.068 0.000 0.969 36 D CA 1.283 55.248 54.000 -0.059 0.000 0.842 36 D CB 0.104 40.868 40.800 -0.061 0.000 0.957 36 D HN 0.268 nan 8.370 nan 0.000 0.484 37 A N 0.437 123.205 122.820 -0.086 0.000 1.968 37 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 37 A C 2.030 179.588 177.584 -0.043 0.000 1.169 37 A CA 0.622 52.604 52.037 -0.092 0.000 0.638 37 A CB -0.432 18.480 19.000 -0.147 0.000 0.812 37 A HN 0.238 nan 8.150 nan 0.000 0.446 38 L N -0.574 120.631 121.223 -0.031 0.000 2.291 38 L HA 0.149 4.488 4.340 -0.000 0.000 0.214 38 L C 2.420 179.286 176.870 -0.006 0.000 1.120 38 L CA 1.524 56.372 54.840 0.014 0.000 0.799 38 L CB -0.543 41.516 42.059 -0.001 0.000 0.925 38 L HN 0.300 nan 8.230 nan 0.000 0.446 39 A N -0.900 121.902 122.820 -0.031 0.000 2.070 39 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 39 A C 2.213 179.753 177.584 -0.074 0.000 1.159 39 A CA 1.822 53.831 52.037 -0.048 0.000 0.656 39 A CB -0.263 18.705 19.000 -0.053 0.000 0.800 39 A HN 0.469 nan 8.150 nan 0.000 0.453 40 K N -2.252 118.114 120.400 -0.056 0.000 2.225 40 K HA 0.113 4.433 4.320 -0.000 0.000 0.204 40 K C 1.941 178.516 176.600 -0.042 0.000 1.047 40 K CA 0.825 57.073 56.287 -0.065 0.000 0.970 40 K CB -0.328 32.139 32.500 -0.055 0.000 0.939 40 K HN 0.512 nan 8.250 nan 0.000 0.472 41 H N 0.890 119.908 119.070 -0.087 0.000 2.390 41 H HA -0.071 4.485 4.556 -0.000 0.000 0.298 41 H C 1.507 176.798 175.328 -0.062 0.000 1.106 41 H CA 1.979 57.985 56.048 -0.070 0.000 1.297 41 H CB -0.166 29.558 29.762 -0.064 0.000 1.375 41 H HN 0.237 nan 8.280 nan 0.000 0.509 42 A N 0.505 123.242 122.820 -0.138 0.000 2.070 42 A HA -0.080 4.239 4.320 -0.000 0.000 0.220 42 A C 2.442 179.911 177.584 -0.192 0.000 1.159 42 A CA 1.232 53.170 52.037 -0.166 0.000 0.656 42 A CB -0.810 18.145 19.000 -0.074 0.000 0.800 42 A HN 0.524 nan 8.150 nan 0.000 0.453 43 L N -0.159 120.906 121.223 -0.264 0.000 2.265 43 L HA -0.133 4.207 4.340 -0.000 0.000 0.215 43 L C 2.614 179.373 176.870 -0.184 0.000 1.117 43 L CA 1.662 56.249 54.840 -0.422 0.000 0.782 43 L CB -0.613 41.258 42.059 -0.313 0.000 0.914 43 L HN 0.667 nan 8.230 nan 0.000 0.441 44 T N -3.464 111.002 114.554 -0.146 0.000 3.086 44 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 44 T C 0.678 175.337 174.700 -0.068 0.000 1.074 44 T CA -0.167 61.879 62.100 -0.090 0.000 0.988 44 T CB 0.065 68.848 68.868 -0.142 0.000 0.988 44 T HN 0.060 nan 8.240 nan 0.000 0.530 45 L N 1.273 122.463 121.223 -0.056 0.000 2.391 45 L HA 0.765 5.105 4.340 -0.000 0.000 0.266 45 L C -0.626 176.265 176.870 0.036 0.000 1.035 45 L CA -1.326 53.488 54.840 -0.044 0.000 0.877 45 L CB 1.100 43.094 42.059 -0.109 0.000 1.504 45 L HN 0.285 nan 8.230 nan 0.000 0.503 46 D N -2.378 118.010 120.400 -0.020 0.000 2.710 46 D HA 0.134 4.773 4.640 -0.000 0.000 0.276 46 D C -0.900 175.370 176.300 -0.050 0.000 1.267 46 D CA -0.660 53.303 54.000 -0.060 0.000 0.772 46 D CB 0.734 41.462 40.800 -0.120 0.000 1.299 46 D HN 0.526 nan 8.370 nan 0.000 0.421 47 N N -0.563 118.101 118.700 -0.060 0.000 2.735 47 N HA -0.128 4.612 4.740 -0.000 0.000 0.248 47 N C -0.564 174.924 175.510 -0.036 0.000 1.083 47 N CA 0.493 53.515 53.050 -0.046 0.000 0.703 47 N CB -1.075 37.389 38.487 -0.039 0.000 1.005 47 N HN 0.490 nan 8.380 nan 0.000 0.550 48 I N 1.250 121.796 120.570 -0.039 0.000 2.325 48 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 48 I C 0.832 176.910 176.117 -0.064 0.000 1.019 48 I CA 0.140 61.415 61.300 -0.041 0.000 1.302 48 I CB 1.033 39.010 38.000 -0.039 0.000 1.401 48 I HN -0.109 nan 8.210 nan 0.000 0.485 49 T N 7.814 122.337 114.554 -0.051 0.000 2.794 49 T HA 0.506 4.856 4.350 -0.000 0.000 0.280 49 T C -0.147 174.517 174.700 -0.061 0.000 0.987 49 T CA -0.446 61.617 62.100 -0.061 0.000 0.993 49 T CB 1.708 70.559 68.868 -0.028 0.000 0.939 49 T HN 0.400 nan 8.240 nan 0.000 0.449 50 L N 4.823 125.986 121.223 -0.100 0.000 2.345 50 L HA 0.546 4.886 4.340 -0.000 0.000 0.274 50 L C -0.977 175.859 176.870 -0.058 0.000 0.999 50 L CA -0.795 53.993 54.840 -0.085 0.000 0.849 50 L CB 0.455 42.424 42.059 -0.150 0.000 1.220 50 L HN 0.559 nan 8.230 nan 0.000 0.422 51 L N 5.445 126.678 121.223 0.017 0.000 2.397 51 L HA 0.428 4.768 4.340 -0.000 0.000 0.271 51 L C 0.028 176.868 176.870 -0.050 0.000 1.148 51 L CA 0.161 55.041 54.840 0.067 0.000 0.825 51 L CB 1.213 43.534 42.059 0.437 0.000 1.117 51 L HN 0.701 nan 8.230 nan 0.000 0.456 52 Q N 1.802 121.552 119.800 -0.083 0.000 2.841 52 Q HA 0.482 4.822 4.340 -0.000 0.000 0.309 52 Q C -1.927 174.136 176.000 0.105 0.000 0.868 52 Q CA -0.894 54.751 55.803 -0.264 0.000 0.760 52 Q CB 1.575 30.169 28.738 -0.241 0.000 1.454 52 Q HN 0.299 nan 8.270 nan 0.000 0.449 53 L N -0.139 121.116 121.223 0.053 0.000 2.606 53 L HA 0.450 4.790 4.340 -0.000 0.000 0.255 53 L C -0.079 176.857 176.870 0.110 0.000 1.501 53 L CA -0.684 54.289 54.840 0.222 0.000 1.593 53 L CB 0.150 42.322 42.059 0.187 0.000 2.049 53 L HN 0.806 nan 8.230 nan 0.000 0.576 54 H N 0.271 119.319 119.070 -0.036 0.000 2.929 54 H HA 0.138 4.694 4.556 -0.000 0.000 0.317 54 H C -0.910 174.344 175.328 -0.124 0.000 1.031 54 H CA 0.604 56.627 56.048 -0.042 0.000 1.466 54 H CB 0.788 30.431 29.762 -0.198 0.000 1.482 54 H HN 0.447 nan 8.280 nan 0.000 0.561 55 T N 4.415 118.826 114.554 -0.239 0.000 2.940 55 T HA 0.338 4.688 4.350 -0.000 0.000 0.288 55 T C -0.867 173.773 174.700 -0.100 0.000 1.033 55 T CA -0.790 61.229 62.100 -0.135 0.000 1.033 55 T CB 1.026 69.799 68.868 -0.159 0.000 1.079 55 T HN 0.673 nan 8.240 nan 0.000 0.496 56 E N 1.120 121.301 120.200 -0.032 0.000 2.256 56 E HA 0.452 4.802 4.350 -0.000 0.000 0.268 56 E C 0.485 177.091 176.600 0.009 0.000 0.877 56 E CA -0.500 55.911 56.400 0.018 0.000 0.757 56 E CB 1.565 31.309 29.700 0.073 0.000 1.183 56 E HN 1.095 nan 8.360 nan 0.000 0.418 57 G N 2.340 111.154 108.800 0.024 0.000 2.198 57 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.260 57 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.260 57 G C 0.538 175.434 174.900 -0.007 0.000 1.025 57 G CA 0.465 45.579 45.100 0.024 0.000 0.769 57 G HN 0.577 nan 8.290 nan 0.000 0.507 58 A N 0.018 122.819 122.820 -0.033 0.000 2.630 58 A HA 0.544 4.864 4.320 -0.000 0.000 0.290 58 A C 1.696 179.258 177.584 -0.038 0.000 1.267 58 A CA 0.934 52.950 52.037 -0.036 0.000 0.950 58 A CB 0.032 19.002 19.000 -0.051 0.000 1.144 58 A HN 0.574 nan 8.150 nan 0.000 0.527 59 E N 0.637 120.818 120.200 -0.032 0.000 2.472 59 E HA -0.152 4.198 4.350 -0.000 0.000 0.200 59 E C 1.441 178.048 176.600 0.012 0.000 1.046 59 E CA 1.274 57.657 56.400 -0.028 0.000 0.871 59 E CB -0.761 28.928 29.700 -0.018 0.000 0.806 59 E HN 0.622 nan 8.360 nan 0.000 0.533 60 S N 0.951 116.660 115.700 0.015 0.000 2.428 60 S HA -0.011 4.459 4.470 -0.000 0.000 0.230 60 S C 2.016 176.649 174.600 0.054 0.000 1.014 60 S CA 0.248 58.463 58.200 0.025 0.000 0.957 60 S CB -0.527 62.667 63.200 -0.011 0.000 0.784 60 S HN 0.254 nan 8.310 nan 0.000 0.499 61 L N 2.246 123.508 121.223 0.066 0.000 2.599 61 L HA 0.170 4.509 4.340 -0.000 0.000 0.230 61 L C 1.871 178.877 176.870 0.226 0.000 1.141 61 L CA 0.703 55.623 54.840 0.133 0.000 0.877 61 L CB -0.257 41.915 42.059 0.189 0.000 1.009 61 L HN 0.543 nan 8.230 nan 0.000 0.447 62 S N -3.213 112.558 115.700 0.117 0.000 2.568 62 S HA 0.039 4.509 4.470 -0.000 0.000 0.232 62 S C 0.652 175.296 174.600 0.074 0.000 0.975 62 S CA -0.528 57.715 58.200 0.072 0.000 0.949 62 S CB -0.302 62.845 63.200 -0.089 0.000 0.829 62 S HN 0.311 nan 8.310 nan 0.000 0.479 63 H N 2.819 121.900 119.070 0.018 0.000 2.764 63 H HA 0.208 4.764 4.556 -0.000 0.000 0.341 63 H C -1.960 173.375 175.328 0.012 0.000 1.072 63 H CA -1.060 54.989 56.048 0.003 0.000 1.444 63 H CB 1.379 31.136 29.762 -0.009 0.000 1.458 63 H HN 0.019 nan 8.280 nan 0.000 0.572 64 P HA -0.202 nan 4.420 nan 0.000 0.218 64 P C 1.494 178.821 177.300 0.044 0.000 1.146 64 P CA 1.997 65.026 63.100 -0.119 0.000 0.820 64 P CB 0.119 31.688 31.700 -0.218 0.000 0.778 65 S N -1.418 114.415 115.700 0.222 0.000 2.442 65 S HA -0.091 4.379 4.470 -0.000 0.000 0.236 65 S C 1.670 176.321 174.600 0.083 0.000 1.007 65 S CA 0.880 59.193 58.200 0.188 0.000 0.965 65 S CB -1.063 62.268 63.200 0.218 0.000 0.773 65 S HN 0.016 nan 8.310 nan 0.000 0.504 66 L N 0.887 122.173 121.223 0.104 0.000 2.558 66 L HA 0.396 4.736 4.340 -0.000 0.000 0.225 66 L C 0.599 177.571 176.870 0.171 0.000 1.128 66 L CA 0.355 55.243 54.840 0.080 0.000 0.868 66 L CB -1.208 40.884 42.059 0.055 0.000 1.006 66 L HN 0.387 nan 8.230 nan 0.000 0.454 67 L N 0.148 121.457 121.223 0.143 0.000 2.534 67 L HA 0.237 4.577 4.340 -0.000 0.000 0.271 67 L C 1.396 178.328 176.870 0.104 0.000 1.178 67 L CA 0.728 55.625 54.840 0.096 0.000 0.907 67 L CB 0.157 42.248 42.059 0.053 0.000 1.164 67 L HN 0.431 nan 8.230 nan 0.000 0.482 68 G N 1.885 110.692 108.800 0.012 0.000 2.254 68 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.225 68 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.225 68 G C 0.636 175.381 174.900 -0.257 0.000 1.003 68 G CA 0.331 45.354 45.100 -0.128 0.000 0.622 68 G HN 0.751 nan 8.290 nan 0.000 0.507 69 H N -0.989 118.055 119.070 -0.044 0.000 2.460 69 H HA 0.635 5.190 4.556 -0.000 0.000 0.297 69 H C 0.627 175.910 175.328 -0.076 0.000 1.023 69 H CA 0.983 56.996 56.048 -0.059 0.000 1.321 69 H CB 0.515 30.240 29.762 -0.061 0.000 1.455 69 H HN 0.530 nan 8.280 nan 0.000 0.539 70 L N 0.271 121.521 121.223 0.046 0.000 2.388 70 L HA 0.523 4.863 4.340 -0.000 0.000 0.264 70 L C -1.047 175.745 176.870 -0.130 0.000 0.998 70 L CA -1.011 53.786 54.840 -0.072 0.000 0.817 70 L CB 2.027 44.016 42.059 -0.116 0.000 1.338 70 L HN 0.122 nan 8.230 nan 0.000 0.414 71 R N 1.791 122.180 120.500 -0.185 0.000 2.621 71 R HA 0.537 4.877 4.340 -0.000 0.000 0.284 71 R C -1.407 174.742 176.300 -0.253 0.000 0.998 71 R CA -0.646 55.357 56.100 -0.162 0.000 0.895 71 R CB 1.167 31.428 30.300 -0.065 0.000 1.195 71 R HN 0.848 nan 8.270 nan 0.000 0.450 72 H N 2.034 121.079 119.070 -0.041 0.000 2.548 72 H HA 0.287 4.843 4.556 -0.000 0.000 0.331 72 H C -0.341 174.944 175.328 -0.072 0.000 1.093 72 H CA -0.297 55.713 56.048 -0.062 0.000 1.367 72 H CB 1.131 30.853 29.762 -0.067 0.000 1.455 72 H HN 0.230 nan 8.280 nan 0.000 0.519 73 R N 3.307 123.798 120.500 -0.014 0.000 2.312 73 R HA 0.378 4.718 4.340 -0.000 0.000 0.310 73 R C -1.434 174.735 176.300 -0.218 0.000 1.064 73 R CA -0.462 55.571 56.100 -0.111 0.000 0.983 73 R CB 0.135 30.346 30.300 -0.148 0.000 1.139 73 R HN 0.661 nan 8.270 nan 0.000 0.536 74 C N 4.526 123.755 119.300 -0.119 0.000 2.307 74 C HA 0.341 4.801 4.460 -0.000 0.000 0.340 74 C C 1.177 176.161 174.990 -0.010 0.000 1.275 74 C CA -0.597 58.387 59.018 -0.056 0.000 1.811 74 C CB -0.094 27.697 27.740 0.085 0.000 2.372 74 C HN 0.871 nan 8.230 nan 0.000 0.531 75 F N 0.503 120.596 119.950 0.239 0.000 2.754 75 F HA 0.275 4.801 4.527 -0.000 0.000 0.297 75 F C 0.535 176.569 175.800 0.390 0.000 1.122 75 F CA 0.119 58.247 58.000 0.213 0.000 1.400 75 F CB 0.296 39.438 39.000 0.236 0.000 1.117 75 F HN 0.525 nan 8.300 nan 0.000 0.587 76 F N -0.130 120.033 119.950 0.355 0.000 2.639 76 F HA 0.504 5.031 4.527 -0.000 0.000 0.326 76 F C 0.070 175.940 175.800 0.118 0.000 1.150 76 F CA -1.204 56.966 58.000 0.284 0.000 1.057 76 F CB 0.673 39.825 39.000 0.253 0.000 1.300 76 F HN -0.158 nan 8.300 nan 0.000 0.486 77 G N 1.973 110.729 108.800 -0.073 0.000 2.572 77 G HA2 0.557 4.517 3.960 -0.000 0.000 0.261 77 G HA3 0.557 4.517 3.960 -0.000 0.000 0.261 77 G C -0.276 174.542 174.900 -0.137 0.000 1.197 77 G CA 0.050 45.063 45.100 -0.145 0.000 0.870 77 G HN 1.035 nan 8.290 nan 0.000 0.548 78 G N -1.760 106.865 108.800 -0.291 0.000 2.866 78 G HA2 0.434 4.394 3.960 -0.000 0.000 0.289 78 G HA3 0.434 4.394 3.960 -0.000 0.000 0.289 78 G C 0.760 175.433 174.900 -0.379 0.000 1.396 78 G CA 0.141 44.969 45.100 -0.453 0.000 0.848 78 G HN 0.613 nan 8.290 nan 0.000 0.515 79 V N 1.446 121.157 119.914 -0.338 0.000 2.282 79 V HA -0.079 4.040 4.120 -0.000 0.000 0.249 79 V C 0.196 176.164 176.094 -0.210 0.000 1.057 79 V CA 2.535 64.690 62.300 -0.241 0.000 1.032 79 V CB -1.038 30.677 31.823 -0.180 0.000 0.645 79 V HN 0.685 nan 8.190 nan 0.000 0.447 80 P HA -0.037 nan 4.420 nan 0.000 0.241 80 P C 1.229 178.374 177.300 -0.257 0.000 1.191 80 P CA 1.605 64.582 63.100 -0.204 0.000 0.771 80 P CB -0.012 31.571 31.700 -0.195 0.000 0.929 81 T N -4.092 110.294 114.554 -0.281 0.000 3.000 81 T HA 0.203 4.553 4.350 -0.000 0.000 0.248 81 T C 1.953 176.526 174.700 -0.211 0.000 1.034 81 T CA -0.151 61.782 62.100 -0.279 0.000 1.060 81 T CB -0.275 68.424 68.868 -0.282 0.000 0.983 81 T HN -0.050 nan 8.240 nan 0.000 0.482 82 R N 2.132 122.495 120.500 -0.228 0.000 2.112 82 R HA -0.044 4.296 4.340 -0.000 0.000 0.242 82 R C -0.323 175.895 176.300 -0.137 0.000 1.137 82 R CA 2.265 58.240 56.100 -0.209 0.000 0.944 82 R CB -1.493 28.656 30.300 -0.251 0.000 0.857 82 R HN 0.427 nan 8.270 nan 0.000 0.435 83 P HA -0.148 nan 4.420 nan 0.000 0.218 83 P C 1.062 178.319 177.300 -0.072 0.000 1.149 83 P CA 1.246 64.297 63.100 -0.082 0.000 0.817 83 P CB 0.082 31.736 31.700 -0.076 0.000 0.785 84 L N -1.029 120.143 121.223 -0.086 0.000 2.131 84 L HA -0.023 4.316 4.340 -0.000 0.000 0.206 84 L C 2.836 179.680 176.870 -0.044 0.000 1.087 84 L CA 1.377 56.182 54.840 -0.057 0.000 0.767 84 L CB -1.489 40.536 42.059 -0.057 0.000 0.917 84 L HN -0.140 nan 8.230 nan 0.000 0.441 85 L N -1.315 119.868 121.223 -0.066 0.000 2.027 85 L HA -0.231 4.108 4.340 -0.000 0.000 0.206 85 L C 2.544 179.388 176.870 -0.044 0.000 1.074 85 L CA 1.216 56.025 54.840 -0.051 0.000 0.745 85 L CB -0.520 41.483 42.059 -0.092 0.000 0.898 85 L HN 0.322 nan 8.230 nan 0.000 0.433 86 Q N -0.390 119.376 119.800 -0.057 0.000 2.226 86 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 86 Q C 2.079 178.062 176.000 -0.028 0.000 0.975 86 Q CA 1.705 57.483 55.803 -0.042 0.000 0.866 86 Q CB -0.120 28.593 28.738 -0.042 0.000 0.915 86 Q HN 0.577 nan 8.270 nan 0.000 0.440 87 S N -1.136 114.546 115.700 -0.029 0.000 2.605 87 S HA 0.240 4.710 4.470 -0.000 0.000 0.217 87 S C 1.305 175.897 174.600 -0.013 0.000 0.958 87 S CA 0.162 58.349 58.200 -0.021 0.000 0.919 87 S CB 0.462 63.647 63.200 -0.025 0.000 0.780 87 S HN 0.480 nan 8.310 nan 0.000 0.507 88 G N 1.670 110.464 108.800 -0.010 0.000 2.179 88 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 88 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 88 G C 0.292 175.193 174.900 0.003 0.000 1.010 88 G CA 0.478 45.578 45.100 -0.000 0.000 0.736 88 G HN 0.575 nan 8.290 nan 0.000 0.513 89 D N -0.230 120.172 120.400 0.004 0.000 2.367 89 D HA 0.403 5.043 4.640 -0.000 0.000 0.207 89 D C 1.437 177.757 176.300 0.032 0.000 1.034 89 D CA 1.127 55.135 54.000 0.014 0.000 0.861 89 D CB 0.559 41.368 40.800 0.014 0.000 0.943 89 D HN 0.790 nan 8.370 nan 0.000 0.515 90 A N 0.335 123.174 122.820 0.031 0.000 2.435 90 A HA 0.529 4.849 4.320 -0.000 0.000 0.296 90 A C -1.129 176.480 177.584 0.041 0.000 1.147 90 A CA -0.694 51.374 52.037 0.052 0.000 0.775 90 A CB 1.839 20.874 19.000 0.058 0.000 1.340 90 A HN -0.226 nan 8.150 nan 0.000 0.427 91 D N 0.132 120.558 120.400 0.044 0.000 2.256 91 D HA 0.401 5.041 4.640 -0.000 0.000 0.246 91 D C -1.582 174.769 176.300 0.086 0.000 1.042 91 D CA 0.351 54.380 54.000 0.047 0.000 0.841 91 D CB 1.768 42.574 40.800 0.010 0.000 1.223 91 D HN 0.500 nan 8.370 nan 0.000 0.470 92 Y N 1.379 121.659 120.300 -0.032 0.000 2.328 92 Y HA 0.423 4.973 4.550 -0.000 0.000 0.337 92 Y C -1.168 174.734 175.900 0.004 0.000 0.966 92 Y CA -0.694 57.389 58.100 -0.027 0.000 1.136 92 Y CB 1.085 39.527 38.460 -0.030 0.000 1.170 92 Y HN 0.064 nan 8.280 nan 0.000 0.470 93 V N 9.313 128.959 119.914 -0.446 0.000 2.293 93 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 93 V C -2.179 173.595 176.094 -0.533 0.000 1.021 93 V CA -1.946 60.143 62.300 -0.352 0.000 0.815 93 V CB 0.866 32.697 31.823 0.013 0.000 1.025 93 V HN 0.687 nan 8.190 nan 0.000 0.448 94 P HA 0.381 nan 4.420 nan 0.000 0.271 94 P C -0.595 176.537 177.300 -0.279 0.000 1.226 94 P CA 0.191 62.987 63.100 -0.507 0.000 0.765 94 P CB 1.697 33.199 31.700 -0.329 0.000 0.835 95 I N 2.984 123.413 120.570 -0.234 0.000 2.752 95 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 95 I C -1.022 174.934 176.117 -0.268 0.000 1.507 95 I CA -1.139 59.966 61.300 -0.325 0.000 1.038 95 I CB 1.198 39.038 38.000 -0.267 0.000 1.390 95 I HN -0.036 nan 8.210 nan 0.000 0.435 96 F N 6.089 126.023 119.950 -0.027 0.000 2.563 96 F HA 0.110 4.636 4.527 -0.000 0.000 0.363 96 F C 1.166 176.944 175.800 -0.037 0.000 1.123 96 F CA 0.091 58.088 58.000 -0.005 0.000 1.307 96 F CB 0.259 39.241 39.000 -0.030 0.000 1.115 96 F HN 0.455 nan 8.300 nan 0.000 0.592 97 L N 1.848 123.199 121.223 0.213 0.000 2.042 97 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 97 L C 2.453 179.345 176.870 0.036 0.000 1.076 97 L CA 1.872 56.782 54.840 0.117 0.000 0.749 97 L CB -0.424 41.747 42.059 0.187 0.000 0.893 97 L HN 0.820 nan 8.230 nan 0.000 0.432 98 S N -1.567 114.168 115.700 0.057 0.000 2.469 98 S HA -0.129 4.341 4.470 -0.000 0.000 0.238 98 S C 1.603 176.176 174.600 -0.044 0.000 0.998 98 S CA 0.879 59.074 58.200 -0.008 0.000 0.957 98 S CB -0.345 62.828 63.200 -0.044 0.000 0.764 98 S HN 0.449 nan 8.310 nan 0.000 0.514 99 E N 1.050 121.234 120.200 -0.026 0.000 2.442 99 E HA 0.121 4.471 4.350 -0.000 0.000 0.195 99 E C 2.067 178.503 176.600 -0.274 0.000 1.030 99 E CA 0.321 56.669 56.400 -0.088 0.000 0.869 99 E CB -0.236 29.461 29.700 -0.005 0.000 0.857 99 E HN 0.484 nan 8.360 nan 0.000 0.505 100 V N 1.727 121.409 119.914 -0.385 0.000 2.295 100 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 100 V C -0.682 174.904 176.094 -0.847 0.000 1.049 100 V CA 1.833 63.685 62.300 -0.747 0.000 1.024 100 V CB -1.616 29.770 31.823 -0.730 0.000 0.648 100 V HN 0.160 nan 8.190 nan 0.000 0.447 101 P HA -0.183 nan 4.420 nan 0.000 0.216 101 P C 1.738 178.904 177.300 -0.223 0.000 1.150 101 P CA 1.434 64.351 63.100 -0.304 0.000 0.837 101 P CB -0.062 31.558 31.700 -0.133 0.000 0.786 102 K N -0.149 120.127 120.400 -0.206 0.000 2.097 102 K HA -0.132 4.187 4.320 -0.000 0.000 0.205 102 K C 1.929 178.453 176.600 -0.127 0.000 1.050 102 K CA 1.062 57.276 56.287 -0.123 0.000 0.938 102 K CB -0.744 31.700 32.500 -0.094 0.000 0.718 102 K HN 0.025 nan 8.250 nan 0.000 0.442 103 L N 0.947 122.021 121.223 -0.248 0.000 2.083 103 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 103 L C 1.917 178.790 176.870 0.006 0.000 1.083 103 L CA 1.512 56.243 54.840 -0.182 0.000 0.752 103 L CB -0.364 41.490 42.059 -0.341 0.000 0.899 103 L HN 0.088 nan 8.230 nan 0.000 0.433 104 F N -0.304 119.582 119.950 -0.106 0.000 2.118 104 F HA 0.001 4.528 4.527 -0.000 0.000 0.293 104 F C 2.648 178.408 175.800 -0.067 0.000 1.102 104 F CA 1.007 58.949 58.000 -0.097 0.000 1.247 104 F CB -1.158 37.741 39.000 -0.170 0.000 1.017 104 F HN -0.044 nan 8.300 nan 0.000 0.475 105 R N 0.472 121.052 120.500 0.134 0.000 2.105 105 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 105 R C 2.275 178.602 176.300 0.044 0.000 1.135 105 R CA 1.681 57.821 56.100 0.065 0.000 0.967 105 R CB -0.647 29.673 30.300 0.033 0.000 0.861 105 R HN 0.347 nan 8.270 nan 0.000 0.442 106 S N -0.710 115.009 115.700 0.033 0.000 2.547 106 S HA 0.021 4.491 4.470 -0.000 0.000 0.235 106 S C 1.521 176.143 174.600 0.036 0.000 0.980 106 S CA 0.616 58.831 58.200 0.024 0.000 0.941 106 S CB 0.122 63.327 63.200 0.009 0.000 0.763 106 S HN 0.551 nan 8.310 nan 0.000 0.532 107 G N 1.061 109.895 108.800 0.057 0.000 2.168 107 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.263 107 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.263 107 G C 0.549 175.488 174.900 0.064 0.000 0.977 107 G CA 0.537 45.672 45.100 0.058 0.000 0.659 107 G HN 0.593 nan 8.290 nan 0.000 0.533 108 E N -0.682 119.558 120.200 0.067 0.000 2.110 108 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 108 E C 1.333 177.991 176.600 0.097 0.000 0.988 108 E CA 1.327 57.766 56.400 0.064 0.000 0.804 108 E CB 0.068 29.794 29.700 0.043 0.000 0.745 108 E HN 0.533 nan 8.360 nan 0.000 0.458 109 Q N 1.235 121.130 119.800 0.157 0.000 2.339 109 Q HA 0.200 4.540 4.340 -0.000 0.000 0.268 109 Q C -1.440 174.660 176.000 0.167 0.000 1.027 109 Q CA -0.646 55.284 55.803 0.212 0.000 0.759 109 Q CB 1.214 30.174 28.738 0.370 0.000 1.244 109 Q HN -0.267 nan 8.270 nan 0.000 0.464 110 K N 3.075 123.528 120.400 0.089 0.000 2.237 110 K HA 0.493 4.813 4.320 -0.000 0.000 0.270 110 K C -0.756 175.833 176.600 -0.019 0.000 1.015 110 K CA 0.012 56.315 56.287 0.027 0.000 0.949 110 K CB 0.660 33.175 32.500 0.025 0.000 0.976 110 K HN 0.732 nan 8.250 nan 0.000 0.472 111 I N 3.006 123.529 120.570 -0.078 0.000 2.500 111 I HA 0.134 4.304 4.170 -0.000 0.000 0.286 111 I C 0.001 176.086 176.117 -0.053 0.000 1.063 111 I CA -0.504 60.734 61.300 -0.103 0.000 1.062 111 I CB 2.024 39.862 38.000 -0.269 0.000 1.223 111 I HN 0.629 nan 8.210 nan 0.000 0.435 112 D N 2.750 123.139 120.400 -0.017 0.000 2.162 112 D HA -0.017 4.623 4.640 -0.000 0.000 0.203 112 D C 0.948 177.248 176.300 0.001 0.000 0.967 112 D CA 1.405 55.403 54.000 -0.004 0.000 0.840 112 D CB 0.557 41.360 40.800 0.006 0.000 0.972 112 D HN 0.586 nan 8.370 nan 0.000 0.482 113 T N -1.604 112.954 114.554 0.008 0.000 2.982 113 T HA 0.616 4.966 4.350 -0.000 0.000 0.321 113 T C -1.832 172.892 174.700 0.040 0.000 1.229 113 T CA -0.870 61.240 62.100 0.015 0.000 1.044 113 T CB 2.051 70.927 68.868 0.014 0.000 1.184 113 T HN -0.036 nan 8.240 nan 0.000 0.477 114 A N 4.666 127.512 122.820 0.043 0.000 2.303 114 A HA 0.730 5.050 4.320 -0.000 0.000 0.320 114 A C -0.170 177.431 177.584 0.029 0.000 1.192 114 A CA -0.884 51.218 52.037 0.108 0.000 0.821 114 A CB 0.412 19.491 19.000 0.132 0.000 1.188 114 A HN 0.800 nan 8.150 nan 0.000 0.492 115 I N 4.375 124.953 120.570 0.013 0.000 2.325 115 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 115 I C 0.194 176.293 176.117 -0.031 0.000 1.019 115 I CA -0.070 61.210 61.300 -0.033 0.000 1.302 115 I CB 0.101 38.075 38.000 -0.043 0.000 1.401 115 I HN 0.683 nan 8.210 nan 0.000 0.485 116 I N 2.843 123.377 120.570 -0.060 0.000 3.074 116 I HA 0.590 4.759 4.170 -0.000 0.000 0.310 116 I C -0.958 175.208 176.117 0.080 0.000 1.153 116 I CA -0.986 60.295 61.300 -0.031 0.000 0.993 116 I CB 2.599 40.443 38.000 -0.261 0.000 1.237 116 I HN 0.522 nan 8.210 nan 0.000 0.443 117 Q N 3.280 123.269 119.800 0.316 0.000 2.325 117 Q HA 0.681 5.021 4.340 -0.000 0.000 0.270 117 Q C -1.428 174.610 176.000 0.064 0.000 1.020 117 Q CA -0.705 55.173 55.803 0.125 0.000 0.785 117 Q CB 2.305 31.104 28.738 0.102 0.000 1.259 117 Q HN 0.742 nan 8.270 nan 0.000 0.452 118 V N 0.443 120.316 119.914 -0.069 0.000 3.126 118 V HA 0.773 4.893 4.120 -0.000 0.000 0.314 118 V C -0.190 175.848 176.094 -0.093 0.000 1.138 118 V CA -0.806 61.474 62.300 -0.034 0.000 1.034 118 V CB 1.655 33.514 31.823 0.061 0.000 1.075 118 V HN 0.827 nan 8.190 nan 0.000 0.442 119 S N 1.425 117.088 115.700 -0.061 0.000 2.603 119 S HA 0.553 5.023 4.470 -0.000 0.000 0.268 119 S C -2.348 172.234 174.600 -0.029 0.000 1.317 119 S CA -1.051 57.111 58.200 -0.064 0.000 1.012 119 S CB 0.581 63.754 63.200 -0.046 0.000 0.926 119 S HN 0.969 nan 8.310 nan 0.000 0.539 120 P HA 0.174 nan 4.420 nan 0.000 0.267 120 P C -2.449 174.847 177.300 -0.006 0.000 1.200 120 P CA -1.052 62.032 63.100 -0.027 0.000 0.772 120 P CB -0.799 30.878 31.700 -0.038 0.000 0.855 121 P HA 0.040 nan 4.420 nan 0.000 0.269 121 P C -0.397 176.877 177.300 -0.042 0.000 1.209 121 P CA 0.268 63.342 63.100 -0.044 0.000 0.776 121 P CB 0.477 32.120 31.700 -0.096 0.000 0.876 122 D N 1.217 121.594 120.400 -0.039 0.000 2.529 122 D HA 0.108 4.748 4.640 -0.000 0.000 0.273 122 D C 1.354 177.579 176.300 -0.125 0.000 1.197 122 D CA -0.755 53.209 54.000 -0.059 0.000 1.070 122 D CB 0.353 41.137 40.800 -0.028 0.000 1.134 122 D HN 0.329 nan 8.370 nan 0.000 0.590 123 K N -1.065 119.203 120.400 -0.221 0.000 2.228 123 K HA -0.234 4.085 4.320 -0.000 0.000 0.205 123 K C 0.885 177.287 176.600 -0.331 0.000 1.045 123 K CA 1.302 57.406 56.287 -0.307 0.000 0.931 123 K CB -0.546 31.706 32.500 -0.414 0.000 0.727 123 K HN 0.425 nan 8.250 nan 0.000 0.458 124 H N 0.708 119.763 119.070 -0.024 0.000 2.551 124 H HA 0.227 4.783 4.556 -0.001 0.000 0.271 124 H C 1.159 176.490 175.328 0.006 0.000 0.984 124 H CA 0.577 56.627 56.048 0.003 0.000 1.164 124 H CB 0.186 29.942 29.762 -0.011 0.000 1.437 124 H HN 0.489 nan 8.280 nan 0.000 0.550 128 S N -0.307 115.401 115.700 0.013 0.000 2.526 128 S HA 0.655 5.125 4.470 -0.000 0.000 0.293 128 S C 0.197 174.738 174.600 -0.098 0.000 1.092 128 S CA -0.623 57.461 58.200 -0.195 0.000 0.980 128 S CB 0.899 63.880 63.200 -0.365 0.000 1.048 128 S HN 0.659 nan 8.310 nan 0.000 0.483 129 L N 3.934 125.103 121.223 -0.089 0.000 2.622 129 L HA 0.196 4.536 4.340 -0.000 0.000 0.233 129 L C 1.844 178.711 176.870 -0.004 0.000 1.156 129 L CA 0.625 55.522 54.840 0.094 0.000 0.866 129 L CB -1.458 40.680 42.059 0.132 0.000 0.980 129 L HN 1.092 nan 8.230 nan 0.000 0.448 130 G N 2.123 110.795 108.800 -0.213 0.000 2.583 130 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.292 130 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.292 130 G C 0.768 175.342 174.900 -0.543 0.000 1.203 130 G CA 0.456 45.344 45.100 -0.354 0.000 0.987 130 G HN 0.448 nan 8.290 nan 0.000 0.554 131 I N -1.495 118.795 120.570 -0.466 0.000 3.334 131 I HA 0.424 4.594 4.170 -0.000 0.000 0.282 131 I C 0.659 176.757 176.117 -0.032 0.000 1.313 131 I CA 1.445 62.523 61.300 -0.369 0.000 1.396 131 I CB -0.157 37.700 38.000 -0.238 0.000 1.054 131 I HN 0.189 nan 8.210 nan 0.000 0.495 132 S N 0.329 115.986 115.700 -0.072 0.000 2.746 132 S HA 0.409 4.879 4.470 -0.000 0.000 0.273 132 S C 0.506 175.281 174.600 0.292 0.000 1.172 132 S CA -0.655 57.620 58.200 0.125 0.000 1.116 132 S CB 2.168 65.299 63.200 -0.114 0.000 1.057 132 S HN 0.084 nan 8.310 nan 0.000 0.483 133 V N 2.741 122.870 119.914 0.358 0.000 2.521 133 V HA -0.025 4.095 4.120 -0.000 0.000 0.239 133 V C 1.342 177.621 176.094 0.309 0.000 1.053 133 V CA 1.190 63.672 62.300 0.304 0.000 1.073 133 V CB -0.754 31.235 31.823 0.276 0.000 0.746 133 V HN 0.961 nan 8.190 nan 0.000 0.476 134 E N 2.140 122.561 120.200 0.369 0.000 3.538 134 E HA -0.404 3.946 4.350 -0.000 0.000 0.425 134 E C 1.244 177.975 176.600 0.218 0.000 1.612 134 E CA 1.757 58.355 56.400 0.331 0.000 1.581 134 E CB -1.619 28.246 29.700 0.276 0.000 1.518 134 E HN 0.526 nan 8.360 nan 0.000 0.424 135 A N -0.345 122.601 122.820 0.210 0.000 2.390 135 A HA 0.236 4.555 4.320 -0.000 0.000 0.232 135 A C 1.843 179.434 177.584 0.012 0.000 1.233 135 A CA 0.924 52.997 52.037 0.060 0.000 0.907 135 A CB -0.016 18.932 19.000 -0.086 0.000 0.967 135 A HN 0.514 nan 8.150 nan 0.000 0.512 136 T N -0.379 114.295 114.554 0.200 0.000 2.821 136 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 136 T C 1.819 176.522 174.700 0.005 0.000 1.046 136 T CA 1.509 63.716 62.100 0.179 0.000 1.139 136 T CB -0.414 68.644 68.868 0.316 0.000 0.871 136 T HN 0.306 nan 8.240 nan 0.000 0.454 137 L N 1.006 122.259 121.223 0.050 0.000 2.042 137 L HA 0.006 4.345 4.340 -0.000 0.000 0.210 137 L C 2.698 179.580 176.870 0.020 0.000 1.076 137 L CA 2.456 57.323 54.840 0.044 0.000 0.749 137 L CB -1.669 40.436 42.059 0.077 0.000 0.893 137 L HN 0.424 nan 8.230 nan 0.000 0.432 138 A N -0.463 122.368 122.820 0.018 0.000 1.930 138 A HA -0.043 4.276 4.320 -0.000 0.000 0.217 138 A C 2.451 180.034 177.584 -0.002 0.000 1.175 138 A CA 1.500 53.561 52.037 0.039 0.000 0.627 138 A CB -0.645 18.395 19.000 0.066 0.000 0.815 138 A HN 0.554 nan 8.150 nan 0.000 0.443 139 A N -0.998 121.726 122.820 -0.159 0.000 1.898 139 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 139 A C 2.205 179.638 177.584 -0.252 0.000 1.181 139 A CA 1.594 53.323 52.037 -0.513 0.000 0.620 139 A CB -1.216 17.131 19.000 -1.088 0.000 0.819 139 A HN 0.580 nan 8.150 nan 0.000 0.442 140 C N -1.199 118.032 119.300 -0.116 0.000 2.432 140 C HA -0.038 4.422 4.460 -0.000 0.000 0.282 140 C C 2.796 177.785 174.990 -0.002 0.000 1.388 140 C CA 1.191 60.195 59.018 -0.023 0.000 1.777 140 C CB -1.221 26.539 27.740 0.033 0.000 1.882 140 C HN 0.694 nan 8.230 nan 0.000 0.520 141 Q N 0.556 120.348 119.800 -0.014 0.000 2.049 141 Q HA -0.092 4.248 4.340 -0.000 0.000 0.198 141 Q C 2.276 178.271 176.000 -0.008 0.000 0.971 141 Q CA 1.887 57.694 55.803 0.007 0.000 0.833 141 Q CB -0.012 28.737 28.738 0.018 0.000 0.896 141 Q HN 0.662 nan 8.270 nan 0.000 0.434 142 V N -2.906 116.982 119.914 -0.043 0.000 3.590 142 V HA 0.454 4.574 4.120 -0.000 0.000 0.265 142 V C 0.745 176.798 176.094 -0.067 0.000 1.239 142 V CA 0.099 62.372 62.300 -0.046 0.000 1.117 142 V CB -0.722 31.074 31.823 -0.045 0.000 0.818 142 V HN 0.167 nan 8.190 nan 0.000 0.451 143 A N 1.438 124.207 122.820 -0.086 0.000 2.540 143 A HA 0.500 4.820 4.320 -0.000 0.000 0.239 143 A C 1.733 179.305 177.584 -0.019 0.000 1.061 143 A CA 0.613 52.610 52.037 -0.066 0.000 0.758 143 A CB 0.185 19.155 19.000 -0.051 0.000 0.991 143 A HN 0.670 nan 8.150 nan 0.000 0.502 144 G N 1.878 110.670 108.800 -0.014 0.000 2.440 144 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.218 144 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.218 144 G C 0.642 175.553 174.900 0.018 0.000 1.154 144 G CA 1.282 46.385 45.100 0.004 0.000 0.767 144 G HN 1.027 nan 8.290 nan 0.000 0.552 145 K N -1.328 119.084 120.400 0.021 0.000 2.536 145 K HA 0.700 5.019 4.320 -0.000 0.000 0.269 145 K C -1.704 174.917 176.600 0.035 0.000 0.965 145 K CA -1.007 55.302 56.287 0.038 0.000 0.860 145 K CB 1.872 34.392 32.500 0.033 0.000 1.423 145 K HN 0.008 nan 8.250 nan 0.000 0.438 146 I N 2.186 122.789 120.570 0.055 0.000 2.465 146 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 146 I C -0.748 175.336 176.117 -0.055 0.000 1.014 146 I CA -1.051 60.252 61.300 0.005 0.000 1.093 146 I CB 1.909 39.935 38.000 0.043 0.000 1.267 146 I HN 0.495 nan 8.210 nan 0.000 0.431 147 I N 5.605 126.110 120.570 -0.109 0.000 2.390 147 I HA 0.515 4.685 4.170 -0.000 0.000 0.283 147 I C 0.033 176.030 176.117 -0.200 0.000 1.016 147 I CA -0.306 60.928 61.300 -0.110 0.000 1.151 147 I CB 1.518 39.487 38.000 -0.052 0.000 1.293 147 I HN 0.597 nan 8.210 nan 0.000 0.458 148 A N 4.866 127.495 122.820 -0.319 0.000 2.325 148 A HA 0.612 4.931 4.320 -0.000 0.000 0.333 148 A C -1.005 176.539 177.584 -0.066 0.000 1.155 148 A CA -0.403 51.408 52.037 -0.376 0.000 0.814 148 A CB 0.736 19.129 19.000 -1.011 0.000 1.206 148 A HN 0.748 nan 8.150 nan 0.000 0.482 149 H N 2.110 121.121 119.070 -0.098 0.000 2.595 149 H HA 0.553 5.108 4.556 -0.000 0.000 0.313 149 H C -1.060 174.243 175.328 -0.043 0.000 1.023 149 H CA -0.932 55.105 56.048 -0.019 0.000 1.218 149 H CB 0.239 30.016 29.762 0.025 0.000 1.403 149 H HN 0.463 nan 8.280 nan 0.000 0.477 150 I N 5.169 125.573 120.570 -0.276 0.000 2.379 150 I HA 0.094 4.263 4.170 -0.000 0.000 0.290 150 I C 0.119 175.938 176.117 -0.497 0.000 1.063 150 I CA -0.164 60.948 61.300 -0.313 0.000 1.351 150 I CB 0.194 38.118 38.000 -0.126 0.000 1.410 150 I HN 0.575 nan 8.210 nan 0.000 0.505 151 N N 9.078 127.484 118.700 -0.489 0.000 2.483 151 N HA 0.355 5.095 4.740 -0.000 0.000 0.267 151 N C -2.119 173.285 175.510 -0.177 0.000 0.998 151 N CA -2.327 50.513 53.050 -0.350 0.000 0.918 151 N CB 2.093 40.351 38.487 -0.381 0.000 1.215 151 N HN 0.107 nan 8.380 nan 0.000 0.500 152 P HA -0.095 nan 4.420 nan 0.000 0.226 152 P C -0.032 177.236 177.300 -0.053 0.000 1.146 152 P CA 1.137 64.196 63.100 -0.068 0.000 0.773 152 P CB 0.281 31.952 31.700 -0.048 0.000 0.772 156 R N 1.805 122.281 120.500 -0.040 0.000 3.266 156 R HA 0.367 4.707 4.340 -0.000 0.000 0.224 156 R C 0.345 176.644 176.300 -0.001 0.000 1.525 156 R CA 0.015 56.104 56.100 -0.018 0.000 1.364 156 R CB -0.431 29.933 30.300 0.107 0.000 1.276 156 R HN 0.604 nan 8.270 nan 0.000 0.660 157 T N -0.357 114.082 114.554 -0.192 0.000 2.926 157 T HA 0.053 4.403 4.350 -0.000 0.000 0.307 157 T C 0.266 174.972 174.700 0.010 0.000 1.059 157 T CA -0.241 61.765 62.100 -0.156 0.000 1.122 157 T CB 0.872 69.329 68.868 -0.684 0.000 0.972 157 T HN 0.474 nan 8.240 nan 0.000 0.545 158 H N 0.692 119.833 119.070 0.118 0.000 2.482 158 H HA 0.575 5.131 4.556 -0.000 0.000 0.344 158 H C 1.087 176.564 175.328 0.249 0.000 1.151 158 H CA 0.000 56.200 56.048 0.253 0.000 1.300 158 H CB 1.274 31.188 29.762 0.254 0.000 1.494 158 H HN 1.146 nan 8.280 nan 0.000 0.542 159 G N 1.691 110.707 108.800 0.360 0.000 2.317 159 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.196 159 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.196 159 G C -0.429 174.614 174.900 0.240 0.000 1.255 159 G CA -0.183 45.082 45.100 0.274 0.000 1.243 159 G HN 0.573 nan 8.290 nan 0.000 0.535 160 D N 1.376 121.881 120.400 0.175 0.000 2.325 160 D HA 0.238 4.878 4.640 -0.000 0.000 0.225 160 D C 1.924 178.277 176.300 0.089 0.000 1.096 160 D CA 0.861 54.956 54.000 0.158 0.000 0.844 160 D CB 0.030 40.914 40.800 0.140 0.000 0.925 160 D HN 0.684 nan 8.370 nan 0.000 0.513 161 G N 0.145 108.915 108.800 -0.049 0.000 2.848 161 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.208 161 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.208 161 G C 0.259 175.009 174.900 -0.250 0.000 1.152 161 G CA -0.265 44.743 45.100 -0.153 0.000 0.789 161 G HN 0.042 nan 8.290 nan 0.000 0.531 162 F N 0.052 120.035 119.950 0.056 0.000 2.412 162 F HA 0.599 5.126 4.527 0.000 0.000 0.348 162 F C 0.226 176.062 175.800 0.060 0.000 1.102 162 F CA -1.099 56.926 58.000 0.042 0.000 1.196 162 F CB 1.378 40.386 39.000 0.014 0.000 1.144 162 F HN -0.081 nan 8.300 nan 0.000 0.541 163 I N 2.340 123.060 120.570 0.250 0.000 2.775 163 I HA 0.258 4.428 4.170 -0.000 0.000 0.295 163 I C -1.296 174.857 176.117 0.060 0.000 1.287 163 I CA -0.524 60.878 61.300 0.170 0.000 1.029 163 I CB 1.535 39.662 38.000 0.211 0.000 1.282 163 I HN 0.540 nan 8.210 nan 0.000 0.426 164 H N 6.492 125.503 119.070 -0.098 0.000 2.610 164 H HA 0.326 4.882 4.556 -0.000 0.000 0.336 164 H C 0.988 175.970 175.328 -0.577 0.000 1.087 164 H CA 0.338 56.257 56.048 -0.216 0.000 1.405 164 H CB 1.704 31.385 29.762 -0.135 0.000 1.460 164 H HN 0.845 nan 8.280 nan 0.000 0.538 165 I N 3.176 123.201 120.570 -0.907 0.000 2.700 165 I HA -0.216 3.953 4.170 -0.000 0.000 0.261 165 I C 0.685 176.450 176.117 -0.587 0.000 1.219 165 I CA 1.007 61.690 61.300 -1.029 0.000 1.463 165 I CB 0.065 37.755 38.000 -0.517 0.000 1.092 165 I HN 0.543 nan 8.210 nan 0.000 0.452 166 D N 0.810 121.155 120.400 -0.092 0.000 2.363 166 D HA -0.035 4.604 4.640 -0.000 0.000 0.226 166 D C 1.660 177.949 176.300 -0.018 0.000 1.020 166 D CA 0.420 54.433 54.000 0.022 0.000 0.892 166 D CB -0.018 40.852 40.800 0.118 0.000 0.900 166 D HN 0.340 nan 8.370 nan 0.000 0.531 167 R N -0.163 120.265 120.500 -0.121 0.000 2.310 167 R HA 0.137 4.477 4.340 -0.000 0.000 0.202 167 R C 0.247 176.726 176.300 0.299 0.000 0.933 167 R CA 0.004 56.131 56.100 0.044 0.000 1.054 167 R CB 0.161 30.496 30.300 0.058 0.000 0.985 167 R HN 0.214 nan 8.270 nan 0.000 0.489 168 F N -0.812 119.168 119.950 0.050 0.000 2.421 168 F HA 0.312 4.839 4.527 0.000 0.000 0.337 168 F C 1.307 177.127 175.800 0.033 0.000 1.105 168 F CA -1.010 57.012 58.000 0.036 0.000 1.049 168 F CB 1.573 40.591 39.000 0.031 0.000 1.139 168 F HN -0.095 nan 8.300 nan 0.000 0.479 169 A N 2.808 125.753 122.820 0.208 0.000 1.984 169 A HA 0.537 4.857 4.320 -0.000 0.000 0.214 169 A C 0.712 178.359 177.584 0.104 0.000 1.173 169 A CA 0.852 52.961 52.037 0.120 0.000 0.673 169 A CB 0.002 19.046 19.000 0.075 0.000 0.830 169 A HN 0.727 nan 8.150 nan 0.000 0.453 170 A N -1.637 121.247 122.820 0.107 0.000 2.587 170 A HA 0.659 4.978 4.320 -0.000 0.000 0.293 170 A C -1.412 176.233 177.584 0.102 0.000 1.087 170 A CA -0.408 51.680 52.037 0.085 0.000 0.692 170 A CB 1.467 20.490 19.000 0.039 0.000 1.291 170 A HN 0.570 nan 8.150 nan 0.000 0.407 171 V N 1.270 121.255 119.914 0.119 0.000 2.777 171 V HA 0.495 4.615 4.120 -0.000 0.000 0.306 171 V C -1.864 174.338 176.094 0.179 0.000 1.112 171 V CA -0.359 62.023 62.300 0.137 0.000 0.917 171 V CB 1.921 33.847 31.823 0.173 0.000 1.018 171 V HN 0.981 nan 8.190 nan 0.000 0.426 172 Y N 3.865 124.200 120.300 0.059 0.000 2.361 172 Y HA 0.669 5.219 4.550 -0.000 0.000 0.337 172 Y C -0.403 175.577 175.900 0.133 0.000 0.965 172 Y CA -0.782 57.360 58.100 0.070 0.000 1.091 172 Y CB 1.842 40.327 38.460 0.041 0.000 1.182 172 Y HN 0.728 nan 8.280 nan 0.000 0.450 173 E N 5.877 125.706 120.200 -0.617 0.000 2.158 173 E HA 0.478 4.828 4.350 -0.000 0.000 0.271 173 E C -1.657 174.568 176.600 -0.625 0.000 0.911 173 E CA -0.612 55.500 56.400 -0.481 0.000 0.767 173 E CB 1.223 30.789 29.700 -0.224 0.000 1.120 173 E HN 0.786 nan 8.360 nan 0.000 0.405 174 Q N 1.912 121.520 119.800 -0.319 0.000 2.503 174 Q HA 0.315 4.655 4.340 -0.000 0.000 0.268 174 Q C -1.659 174.356 176.000 0.026 0.000 0.982 174 Q CA -0.822 54.891 55.803 -0.150 0.000 0.907 174 Q CB 1.339 29.986 28.738 -0.151 0.000 1.467 174 Q HN 0.313 nan 8.270 nan 0.000 0.394 175 S N 1.239 116.941 115.700 0.004 0.000 2.505 175 S HA 0.753 5.223 4.470 -0.000 0.000 0.276 175 S C -0.654 173.980 174.600 0.058 0.000 1.274 175 S CA 0.264 58.476 58.200 0.019 0.000 1.053 175 S CB 0.828 64.030 63.200 0.002 0.000 0.919 175 S HN 0.691 nan 8.310 nan 0.000 0.490 176 A N 2.678 125.546 122.820 0.080 0.000 2.527 176 A HA 0.808 5.128 4.320 -0.000 0.000 0.293 176 A C -0.090 177.527 177.584 0.055 0.000 1.117 176 A CA -0.884 51.201 52.037 0.081 0.000 0.723 176 A CB 1.096 20.173 19.000 0.127 0.000 1.313 176 A HN 0.798 nan 8.150 nan 0.000 0.411 177 S N 0.226 115.955 115.700 0.049 0.000 2.565 177 S HA 0.643 5.113 4.470 -0.000 0.000 0.274 177 S C -0.320 174.305 174.600 0.042 0.000 1.309 177 S CA -0.430 57.799 58.200 0.048 0.000 1.043 177 S CB 0.260 63.491 63.200 0.052 0.000 0.939 177 S HN 0.583 nan 8.310 nan 0.000 0.504 178 L N 3.180 124.428 121.223 0.041 0.000 2.307 178 L HA 0.448 4.788 4.340 -0.000 0.000 0.282 178 L C -1.918 175.024 176.870 0.120 0.000 1.051 178 L CA -2.408 52.434 54.840 0.003 0.000 0.804 178 L CB 1.164 43.113 42.059 -0.184 0.000 1.197 178 L HN 0.560 nan 8.230 nan 0.000 0.431 179 P HA -0.008 nan 4.420 nan 0.000 0.260 179 P C 0.848 178.330 177.300 0.302 0.000 1.207 179 P CA 0.092 63.309 63.100 0.195 0.000 0.780 179 P CB 0.371 32.181 31.700 0.184 0.000 0.789 180 I N 0.266 120.985 120.570 0.249 0.000 2.546 180 I HA -0.078 4.092 4.170 -0.000 0.000 0.255 180 I C 0.686 176.944 176.117 0.235 0.000 1.163 180 I CA 0.248 61.669 61.300 0.203 0.000 1.457 180 I CB -1.211 36.830 38.000 0.067 0.000 1.092 180 I HN 0.351 nan 8.210 nan 0.000 0.434 181 H N 1.667 120.837 119.070 0.166 0.000 2.939 181 H HA -0.219 4.337 4.556 -0.000 0.000 0.292 181 H C 0.108 175.520 175.328 0.139 0.000 0.839 181 H CA 0.503 56.727 56.048 0.293 0.000 0.924 181 H CB -0.813 29.138 29.762 0.315 0.000 1.553 181 H HN 0.423 nan 8.280 nan 0.000 0.312 182 S N 4.243 119.745 115.700 -0.331 0.000 2.902 182 S HA 0.191 4.661 4.470 -0.000 0.000 0.250 182 S C 0.900 175.294 174.600 -0.343 0.000 1.046 182 S CA -0.242 57.792 58.200 -0.277 0.000 1.069 182 S CB -0.217 62.860 63.200 -0.205 0.000 0.967 182 S HN 0.469 nan 8.310 nan 0.000 0.530 183 F N 1.953 121.655 119.950 -0.413 0.000 2.408 183 F HA 0.242 4.769 4.527 -0.000 0.000 0.300 183 F C 1.763 177.481 175.800 -0.137 0.000 1.090 183 F CA 0.524 58.382 58.000 -0.238 0.000 1.427 183 F CB -0.595 38.269 39.000 -0.226 0.000 1.070 183 F HN 0.365 nan 8.300 nan 0.000 0.549 184 A N -0.210 122.622 122.820 0.020 0.000 2.409 184 A HA 0.416 4.736 4.320 -0.000 0.000 0.246 184 A C 0.555 178.147 177.584 0.014 0.000 1.099 184 A CA 0.794 52.856 52.037 0.041 0.000 0.789 184 A CB 0.020 19.045 19.000 0.042 0.000 1.053 184 A HN 0.189 nan 8.150 nan 0.000 0.503 185 T N -0.941 113.625 114.554 0.020 0.000 3.709 185 T HA 0.489 4.839 4.350 -0.000 0.000 0.378 185 T C 0.025 174.730 174.700 0.008 0.000 1.352 185 T CA 0.126 62.230 62.100 0.007 0.000 1.144 185 T CB -0.021 68.853 68.868 0.009 0.000 1.289 185 T HN 1.884 nan 8.240 nan 0.000 0.476 186 G N 2.636 111.436 108.800 -0.001 0.000 2.562 186 G HA2 0.458 4.418 3.960 -0.000 0.000 0.233 186 G HA3 0.458 4.418 3.960 -0.000 0.000 0.233 186 G C -0.478 174.422 174.900 -0.000 0.000 1.266 186 G CA 0.382 45.480 45.100 -0.003 0.000 0.852 186 G HN 0.912 nan 8.290 nan 0.000 0.581 187 D N -1.194 119.204 120.400 -0.003 0.000 2.622 187 D HA 0.511 5.151 4.640 -0.000 0.000 0.255 187 D C 0.875 177.169 176.300 -0.011 0.000 1.246 187 D CA 0.154 54.154 54.000 -0.002 0.000 0.795 187 D CB 0.991 41.795 40.800 0.006 0.000 1.369 187 D HN 0.435 nan 8.370 nan 0.000 0.425 188 A N 0.458 123.272 122.820 -0.010 0.000 1.898 188 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 188 A C 1.953 179.515 177.584 -0.037 0.000 1.181 188 A CA 1.791 53.816 52.037 -0.021 0.000 0.620 188 A CB -0.629 18.363 19.000 -0.012 0.000 0.819 188 A HN 0.378 nan 8.150 nan 0.000 0.442 189 V N -0.103 119.795 119.914 -0.028 0.000 2.307 189 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 189 V C 2.761 178.834 176.094 -0.036 0.000 1.045 189 V CA 2.201 64.476 62.300 -0.042 0.000 1.024 189 V CB -0.916 30.898 31.823 -0.014 0.000 0.651 189 V HN 0.546 nan 8.190 nan 0.000 0.449 190 S N 0.268 115.956 115.700 -0.019 0.000 2.365 190 S HA -0.175 4.294 4.470 -0.000 0.000 0.225 190 S C 1.979 176.560 174.600 -0.032 0.000 1.039 190 S CA 1.375 59.566 58.200 -0.015 0.000 1.033 190 S CB -0.428 62.769 63.200 -0.005 0.000 0.887 190 S HN 0.319 nan 8.310 nan 0.000 0.447 191 L N 1.438 122.636 121.223 -0.042 0.000 2.012 191 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 191 L C 2.727 179.540 176.870 -0.095 0.000 1.073 191 L CA 2.091 56.895 54.840 -0.059 0.000 0.748 191 L CB -1.797 40.228 42.059 -0.056 0.000 0.891 191 L HN 0.343 nan 8.230 nan 0.000 0.431 192 A N 0.082 122.840 122.820 -0.105 0.000 1.865 192 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 192 A C 2.236 179.732 177.584 -0.147 0.000 1.191 192 A CA 1.948 53.886 52.037 -0.165 0.000 0.623 192 A CB -0.694 18.228 19.000 -0.131 0.000 0.826 192 A HN 0.423 nan 8.150 nan 0.000 0.444 193 I N -0.240 120.317 120.570 -0.020 0.000 2.286 193 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 193 I C 2.675 178.792 176.117 0.001 0.000 1.115 193 I CA 1.056 62.389 61.300 0.055 0.000 1.392 193 I CB -0.682 37.338 38.000 0.033 0.000 1.065 193 I HN 0.406 nan 8.210 nan 0.000 0.418 194 G N 0.275 109.049 108.800 -0.043 0.000 2.440 194 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 194 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 194 G C 1.569 176.424 174.900 -0.075 0.000 1.154 194 G CA 0.509 45.578 45.100 -0.052 0.000 0.767 194 G HN 0.429 nan 8.290 nan 0.000 0.552 195 Q N -0.540 119.180 119.800 -0.134 0.000 2.050 195 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 195 Q C 2.415 178.326 176.000 -0.148 0.000 0.980 195 Q CA 1.205 56.905 55.803 -0.171 0.000 0.840 195 Q CB -0.275 28.303 28.738 -0.268 0.000 0.898 195 Q HN 0.526 nan 8.270 nan 0.000 0.424 196 H N -0.004 119.036 119.070 -0.051 0.000 2.321 196 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 196 H C 2.336 177.609 175.328 -0.091 0.000 1.087 196 H CA 1.521 57.533 56.048 -0.060 0.000 1.319 196 H CB -0.347 29.384 29.762 -0.053 0.000 1.379 196 H HN 0.079 nan 8.280 nan 0.000 0.501 197 V N 1.339 121.271 119.914 0.030 0.000 2.343 197 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 197 V C 2.875 178.921 176.094 -0.080 0.000 1.051 197 V CA 1.470 63.733 62.300 -0.061 0.000 1.036 197 V CB -1.189 30.599 31.823 -0.059 0.000 0.654 197 V HN 0.457 nan 8.190 nan 0.000 0.451 198 A N -0.334 122.451 122.820 -0.058 0.000 1.948 198 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 198 A C 2.173 179.760 177.584 0.006 0.000 1.177 198 A CA 2.110 54.118 52.037 -0.047 0.000 0.636 198 A CB -0.529 18.458 19.000 -0.021 0.000 0.815 198 A HN 0.643 nan 8.150 nan 0.000 0.449 199 E N -0.722 119.476 120.200 -0.003 0.000 2.338 199 E HA -0.066 4.284 4.350 -0.000 0.000 0.197 199 E C 1.296 177.883 176.600 -0.023 0.000 1.007 199 E CA 0.294 56.699 56.400 0.009 0.000 0.849 199 E CB -0.037 29.668 29.700 0.009 0.000 0.774 199 E HN 0.425 nan 8.360 nan 0.000 0.506 200 L N 0.447 121.612 121.223 -0.096 0.000 2.446 200 L HA 0.055 4.395 4.340 -0.000 0.000 0.219 200 L C 0.670 177.492 176.870 -0.079 0.000 1.116 200 L CA 0.572 55.314 54.840 -0.164 0.000 0.844 200 L CB -0.119 41.711 42.059 -0.381 0.000 0.970 200 L HN -0.101 nan 8.230 nan 0.000 0.457 201 V N 1.970 121.858 119.914 -0.044 0.000 2.470 201 V HA 0.145 4.265 4.120 -0.000 0.000 0.276 201 V C 0.797 176.969 176.094 0.131 0.000 1.040 201 V CA -0.333 61.947 62.300 -0.032 0.000 1.008 201 V CB 0.676 32.372 31.823 -0.212 0.000 0.990 201 V HN 0.267 nan 8.190 nan 0.000 0.477 202 R N 2.595 123.158 120.500 0.104 0.000 2.643 202 R HA 0.384 4.724 4.340 -0.000 0.000 0.272 202 R C -0.599 175.810 176.300 0.182 0.000 0.995 202 R CA -1.030 55.156 56.100 0.142 0.000 1.032 202 R CB 1.007 31.352 30.300 0.076 0.000 1.126 202 R HN 0.611 nan 8.270 nan 0.000 0.505 203 D N 0.113 120.607 120.400 0.156 0.000 2.400 203 D HA 0.062 4.702 4.640 -0.000 0.000 0.238 203 D C 1.233 177.579 176.300 0.077 0.000 1.157 203 D CA 1.405 55.480 54.000 0.126 0.000 0.889 203 D CB 0.806 41.638 40.800 0.053 0.000 1.199 203 D HN 0.789 nan 8.370 nan 0.000 0.436 204 G N 1.569 110.406 108.800 0.062 0.000 2.168 204 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 204 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 204 G C 0.074 174.997 174.900 0.038 0.000 0.977 204 G CA 0.177 45.303 45.100 0.043 0.000 0.659 204 G HN 0.512 nan 8.290 nan 0.000 0.533 205 D N -0.482 119.940 120.400 0.037 0.000 2.414 205 D HA 0.377 5.016 4.640 -0.000 0.000 0.242 205 D C 0.604 176.912 176.300 0.014 0.000 1.129 205 D CA -0.117 53.897 54.000 0.023 0.000 0.885 205 D CB 1.193 41.997 40.800 0.007 0.000 1.198 205 D HN 0.240 nan 8.370 nan 0.000 0.437 206 C N 5.105 124.420 119.300 0.025 0.000 2.135 206 C HA 0.357 4.817 4.460 -0.000 0.000 0.345 206 C C 0.124 175.127 174.990 0.021 0.000 1.067 206 C CA -0.790 58.248 59.018 0.034 0.000 1.517 206 C CB -2.012 25.763 27.740 0.059 0.000 1.923 206 C HN 0.406 nan 8.230 nan 0.000 0.466 207 L N 5.399 126.613 121.223 -0.016 0.000 2.467 207 L HA 0.355 4.695 4.340 -0.000 0.000 0.270 207 L C 0.464 177.287 176.870 -0.079 0.000 1.205 207 L CA 0.562 55.370 54.840 -0.054 0.000 0.828 207 L CB 0.260 42.269 42.059 -0.083 0.000 1.101 207 L HN 0.656 nan 8.230 nan 0.000 0.479 211 I N -1.270 119.323 120.570 0.038 0.000 2.577 211 I HA 0.915 5.085 4.170 -0.000 0.000 0.305 211 I C 0.612 176.792 176.117 0.106 0.000 0.986 211 I CA -0.376 60.972 61.300 0.081 0.000 1.189 211 I CB 1.508 39.576 38.000 0.115 0.000 1.355 211 I HN 1.655 nan 8.210 nan 0.000 0.476 212 G N 2.474 111.340 108.800 0.110 0.000 2.361 212 G HA2 0.280 4.240 3.960 -0.000 0.000 0.331 212 G HA3 0.280 4.240 3.960 -0.000 0.000 0.331 212 G C -0.013 174.924 174.900 0.060 0.000 1.324 212 G CA -0.223 44.936 45.100 0.098 0.000 0.984 212 G HN 0.968 nan 8.290 nan 0.000 0.586 213 A N -0.557 122.293 122.820 0.050 0.000 1.898 213 A HA 0.166 4.485 4.320 -0.000 0.000 0.216 213 A C 2.485 180.079 177.584 0.016 0.000 1.181 213 A CA 2.175 54.229 52.037 0.029 0.000 0.620 213 A CB -0.563 18.453 19.000 0.026 0.000 0.819 213 A HN 0.856 nan 8.150 nan 0.000 0.442 214 I N -0.033 120.549 120.570 0.020 0.000 2.099 214 I HA -0.193 3.976 4.170 -0.000 0.000 0.239 214 I C -0.471 175.645 176.117 -0.001 0.000 1.066 214 I CA 1.672 62.977 61.300 0.008 0.000 1.324 214 I CB -1.365 36.644 38.000 0.015 0.000 1.037 214 I HN 0.192 nan 8.210 nan 0.000 0.401 215 P HA -0.173 nan 4.420 nan 0.000 0.215 215 P C 1.032 178.326 177.300 -0.011 0.000 1.157 215 P CA 1.609 64.705 63.100 -0.006 0.000 0.874 215 P CB -0.070 31.634 31.700 0.006 0.000 0.790 216 D N -0.712 119.688 120.400 0.001 0.000 2.104 216 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 216 D C 2.013 178.302 176.300 -0.018 0.000 0.994 216 D CA 1.690 55.687 54.000 -0.005 0.000 0.830 216 D CB -0.774 40.028 40.800 0.003 0.000 0.959 216 D HN 0.061 nan 8.370 nan 0.000 0.452 217 A N 0.845 123.654 122.820 -0.018 0.000 1.940 217 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 217 A C 2.582 180.143 177.584 -0.038 0.000 1.176 217 A CA 1.314 53.334 52.037 -0.028 0.000 0.631 217 A CB -0.720 18.263 19.000 -0.028 0.000 0.814 217 A HN 0.155 nan 8.150 nan 0.000 0.446 218 V N -0.038 119.852 119.914 -0.040 0.000 2.307 218 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 218 V C 2.536 178.591 176.094 -0.066 0.000 1.045 218 V CA 1.913 64.179 62.300 -0.056 0.000 1.024 218 V CB -0.784 31.004 31.823 -0.059 0.000 0.651 218 V HN 0.573 nan 8.190 nan 0.000 0.449 219 L N 0.971 122.160 121.223 -0.056 0.000 2.083 219 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 219 L C 2.643 179.485 176.870 -0.047 0.000 1.083 219 L CA 1.773 56.577 54.840 -0.059 0.000 0.752 219 L CB -0.709 41.324 42.059 -0.043 0.000 0.899 219 L HN 0.544 nan 8.230 nan 0.000 0.433 220 S N -1.704 113.975 115.700 -0.036 0.000 2.474 220 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 220 S C 1.628 176.215 174.600 -0.022 0.000 0.997 220 S CA 0.775 58.958 58.200 -0.028 0.000 0.949 220 S CB -0.768 62.416 63.200 -0.026 0.000 0.766 220 S HN 0.463 nan 8.310 nan 0.000 0.517 221 C N 0.816 120.100 119.300 -0.027 0.000 2.754 221 C HA 0.487 4.947 4.460 -0.000 0.000 0.276 221 C C 1.300 176.308 174.990 0.030 0.000 1.264 221 C CA -0.384 58.630 59.018 -0.006 0.000 1.700 221 C CB -1.414 26.314 27.740 -0.021 0.000 1.885 221 C HN 0.432 nan 8.230 nan 0.000 0.607 222 L N 1.139 122.357 121.223 -0.009 0.000 2.693 222 L HA 0.084 4.424 4.340 -0.000 0.000 0.235 222 L C 2.451 179.383 176.870 0.103 0.000 1.127 222 L CA 1.033 55.869 54.840 -0.006 0.000 0.914 222 L CB -0.652 41.285 42.059 -0.204 0.000 1.193 222 L HN 0.394 nan 8.230 nan 0.000 0.502 223 T N -4.486 110.103 114.554 0.059 0.000 3.139 223 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 223 T C 1.614 176.347 174.700 0.055 0.000 1.164 223 T CA 1.018 63.141 62.100 0.038 0.000 1.075 223 T CB -0.271 68.603 68.868 0.010 0.000 0.904 223 T HN 0.325 nan 8.240 nan 0.000 0.540 224 G N -0.666 108.198 108.800 0.106 0.000 2.939 224 G HA2 0.257 4.217 3.960 -0.000 0.000 0.216 224 G HA3 0.257 4.217 3.960 -0.000 0.000 0.216 224 G C 0.206 175.105 174.900 -0.002 0.000 1.125 224 G CA -0.455 44.663 45.100 0.031 0.000 0.766 224 G HN 0.516 nan 8.290 nan 0.000 0.541 225 H N 0.565 119.622 119.070 -0.023 0.000 2.408 225 H HA 0.593 5.149 4.556 -0.000 0.000 0.352 225 H C 0.319 175.636 175.328 -0.018 0.000 1.607 225 H CA 0.128 56.164 56.048 -0.020 0.000 1.445 225 H CB 0.616 30.365 29.762 -0.022 0.000 1.664 225 H HN 0.274 nan 8.280 nan 0.000 0.605 226 K N -0.825 119.649 120.400 0.123 0.000 2.575 226 K HA 0.277 4.597 4.320 -0.000 0.000 0.279 226 K C -1.396 175.233 176.600 0.049 0.000 0.969 226 K CA -0.905 55.416 56.287 0.057 0.000 0.868 226 K CB 1.831 34.346 32.500 0.024 0.000 1.457 226 K HN 0.469 nan 8.250 nan 0.000 0.426 227 D N 0.128 120.546 120.400 0.030 0.000 2.870 227 D HA -0.151 4.489 4.640 -0.000 0.000 0.228 227 D C -0.551 175.764 176.300 0.025 0.000 1.147 227 D CA 0.762 54.777 54.000 0.024 0.000 0.757 227 D CB -0.930 39.885 40.800 0.025 0.000 1.091 227 D HN 0.296 nan 8.370 nan 0.000 0.429 228 L N 0.485 121.720 121.223 0.019 0.000 2.397 228 L HA 0.527 4.867 4.340 -0.000 0.000 0.271 228 L C 1.624 178.492 176.870 -0.004 0.000 1.148 228 L CA 0.506 55.349 54.840 0.004 0.000 0.825 228 L CB 1.071 43.118 42.059 -0.020 0.000 1.117 228 L HN 0.105 nan 8.230 nan 0.000 0.456 229 G N 1.849 110.650 108.800 0.002 0.000 2.597 229 G HA2 0.666 4.626 3.960 -0.000 0.000 0.317 229 G HA3 0.666 4.626 3.960 -0.000 0.000 0.317 229 G C -1.584 173.311 174.900 -0.009 0.000 1.230 229 G CA -0.446 44.660 45.100 0.011 0.000 0.996 229 G HN 0.382 nan 8.290 nan 0.000 0.490 230 V N 0.241 120.152 119.914 -0.003 0.000 2.612 230 V HA 0.434 4.553 4.120 -0.000 0.000 0.301 230 V C -1.323 174.784 176.094 0.022 0.000 1.059 230 V CA -0.611 61.662 62.300 -0.045 0.000 0.886 230 V CB 1.711 33.434 31.823 -0.167 0.000 1.007 230 V HN 0.971 nan 8.190 nan 0.000 0.426 231 H N 2.295 121.342 119.070 -0.038 0.000 2.852 231 H HA 0.614 5.169 4.556 -0.000 0.000 0.274 231 H C -0.581 174.744 175.328 -0.005 0.000 1.321 231 H CA 0.242 56.304 56.048 0.024 0.000 1.582 231 H CB 1.226 31.048 29.762 0.099 0.000 1.699 231 H HN 0.704 nan 8.280 nan 0.000 0.546 232 T N 1.211 115.641 114.554 -0.207 0.000 2.887 232 T HA 0.182 4.532 4.350 -0.000 0.000 0.292 232 T C 0.944 175.495 174.700 -0.249 0.000 1.087 232 T CA -0.555 61.364 62.100 -0.301 0.000 1.009 232 T CB 1.887 70.586 68.868 -0.282 0.000 1.203 232 T HN 0.696 nan 8.240 nan 0.000 0.518 233 E N -0.112 119.898 120.200 -0.318 0.000 2.150 233 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 233 E C 0.651 176.795 176.600 -0.761 0.000 0.985 233 E CA 0.844 57.072 56.400 -0.286 0.000 0.814 233 E CB 0.047 29.632 29.700 -0.193 0.000 0.752 233 E HN 0.524 nan 8.360 nan 0.000 0.466 234 L N -3.583 117.317 121.223 -0.540 0.000 2.940 234 L HA 0.505 4.845 4.340 -0.000 0.000 0.270 234 L C -1.457 175.342 176.870 -0.118 0.000 1.030 234 L CA -1.268 53.259 54.840 -0.521 0.000 0.928 234 L CB 1.300 42.971 42.059 -0.648 0.000 1.506 234 L HN -0.100 nan 8.230 nan 0.000 0.405 235 F N -0.922 118.917 119.950 -0.185 0.000 2.668 235 F HA 0.912 5.439 4.527 -0.000 0.000 0.309 235 F C -0.569 175.223 175.800 -0.013 0.000 1.117 235 F CA -0.330 57.608 58.000 -0.103 0.000 0.951 235 F CB 1.418 40.350 39.000 -0.113 0.000 1.323 235 F HN 0.794 nan 8.300 nan 0.000 0.451 236 S N 0.159 115.947 115.700 0.148 0.000 2.971 236 S HA 0.334 4.803 4.470 -0.000 0.000 0.320 236 S C 0.117 174.805 174.600 0.147 0.000 1.111 236 S CA -0.035 58.194 58.200 0.049 0.000 0.870 236 S CB 1.131 64.361 63.200 0.050 0.000 1.331 236 S HN 0.790 nan 8.310 nan 0.000 0.635 237 D N 0.759 121.192 120.400 0.055 0.000 2.190 237 D HA 0.006 4.646 4.640 -0.000 0.000 0.200 237 D C 1.810 178.130 176.300 0.033 0.000 0.992 237 D CA 1.496 55.516 54.000 0.033 0.000 0.854 237 D CB -0.448 40.344 40.800 -0.012 0.000 0.936 237 D HN 0.576 nan 8.370 nan 0.000 0.462 238 G N 0.925 109.750 108.800 0.041 0.000 2.476 238 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 238 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 238 G C 1.451 176.354 174.900 0.005 0.000 1.164 238 G CA 0.559 45.668 45.100 0.016 0.000 0.768 238 G HN 0.164 nan 8.290 nan 0.000 0.560 239 I N 0.551 121.148 120.570 0.044 0.000 2.202 239 I HA -0.049 4.121 4.170 -0.000 0.000 0.242 239 I C 2.647 178.721 176.117 -0.072 0.000 1.091 239 I CA 0.560 61.849 61.300 -0.018 0.000 1.368 239 I CB -1.348 36.634 38.000 -0.030 0.000 1.058 239 I HN 0.153 nan 8.210 nan 0.000 0.410 240 L N 1.273 122.476 121.223 -0.032 0.000 2.051 240 L HA -0.267 4.073 4.340 -0.000 0.000 0.214 240 L C 2.550 179.308 176.870 -0.187 0.000 1.076 240 L CA 1.949 56.683 54.840 -0.178 0.000 0.758 240 L CB -0.769 41.222 42.059 -0.112 0.000 0.890 240 L HN 0.300 nan 8.230 nan 0.000 0.433 241 Q N -1.375 118.362 119.800 -0.104 0.000 2.124 241 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 241 Q C 2.100 178.049 176.000 -0.084 0.000 0.977 241 Q CA 1.383 57.134 55.803 -0.087 0.000 0.850 241 Q CB -0.184 28.521 28.738 -0.056 0.000 0.901 241 Q HN 0.408 nan 8.270 nan 0.000 0.429 242 L N -0.485 120.689 121.223 -0.081 0.000 2.291 242 L HA -0.100 4.239 4.340 -0.000 0.000 0.214 242 L C 2.056 178.878 176.870 -0.079 0.000 1.120 242 L CA 0.981 55.780 54.840 -0.069 0.000 0.799 242 L CB -0.367 41.653 42.059 -0.066 0.000 0.925 242 L HN 0.029 nan 8.230 nan 0.000 0.446 243 V N 0.280 120.122 119.914 -0.119 0.000 2.323 243 V HA -0.230 3.890 4.120 -0.000 0.000 0.244 243 V C 2.338 178.370 176.094 -0.102 0.000 1.041 243 V CA 1.730 63.957 62.300 -0.122 0.000 1.025 243 V CB -0.672 31.029 31.823 -0.204 0.000 0.656 243 V HN 0.630 nan 8.190 nan 0.000 0.451 244 E N 0.114 120.237 120.200 -0.129 0.000 2.409 244 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 244 E C 1.650 178.218 176.600 -0.053 0.000 1.024 244 E CA 0.762 57.109 56.400 -0.089 0.000 0.861 244 E CB -0.147 29.493 29.700 -0.101 0.000 0.788 244 E HN 0.335 nan 8.360 nan 0.000 0.521 245 K N -0.069 120.301 120.400 -0.051 0.000 2.393 245 K HA 0.133 4.453 4.320 -0.000 0.000 0.193 245 K C 1.155 177.742 176.600 -0.021 0.000 1.026 245 K CA 0.722 56.990 56.287 -0.032 0.000 1.064 245 K CB 0.419 32.902 32.500 -0.029 0.000 0.833 245 K HN 0.331 nan 8.250 nan 0.000 0.521 246 G N -0.284 108.501 108.800 -0.024 0.000 2.205 246 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.261 246 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.261 246 G C 1.034 175.929 174.900 -0.008 0.000 0.980 246 G CA 0.559 45.651 45.100 -0.012 0.000 0.632 246 G HN 0.127 nan 8.290 nan 0.000 0.533 247 V N 0.386 120.294 119.914 -0.010 0.000 2.490 247 V HA 0.099 4.219 4.120 -0.000 0.000 0.250 247 V C 1.641 177.733 176.094 -0.004 0.000 1.061 247 V CA 1.822 64.124 62.300 0.003 0.000 1.064 247 V CB -0.211 31.614 31.823 0.004 0.000 0.670 247 V HN 0.513 nan 8.190 nan 0.000 0.461 248 I N 1.567 122.123 120.570 -0.023 0.000 2.354 248 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 248 I C 0.311 176.418 176.117 -0.017 0.000 0.989 248 I CA -0.142 61.141 61.300 -0.029 0.000 1.188 248 I CB 1.431 39.394 38.000 -0.062 0.000 1.342 248 I HN 0.365 nan 8.210 nan 0.000 0.457 249 N N 3.745 122.442 118.700 -0.005 0.000 1.986 249 N HA 0.007 4.747 4.740 -0.000 0.000 0.227 249 N C 0.011 175.529 175.510 0.013 0.000 1.387 249 N CA -0.425 52.629 53.050 0.006 0.000 0.810 249 N CB 0.092 38.584 38.487 0.009 0.000 1.140 249 N HN 0.427 nan 8.380 nan 0.000 0.504 250 N N -0.226 118.482 118.700 0.013 0.000 2.693 250 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 250 N C -0.066 175.466 175.510 0.036 0.000 1.119 250 N CA 1.450 54.519 53.050 0.030 0.000 0.717 250 N CB -1.600 36.909 38.487 0.037 0.000 1.071 250 N HN 0.468 nan 8.380 nan 0.000 0.555 251 T N -0.162 114.409 114.554 0.027 0.000 2.951 251 T HA -0.030 4.320 4.350 -0.000 0.000 0.268 251 T C 1.625 176.342 174.700 0.029 0.000 1.073 251 T CA 0.762 62.877 62.100 0.025 0.000 1.134 251 T CB 0.176 69.055 68.868 0.019 0.000 0.884 251 T HN 0.167 nan 8.240 nan 0.000 0.479 252 K N 1.279 121.699 120.400 0.034 0.000 2.387 252 K HA 0.240 4.560 4.320 -0.000 0.000 0.198 252 K C 0.479 177.108 176.600 0.048 0.000 1.022 252 K CA 0.085 56.394 56.287 0.036 0.000 1.128 252 K CB 0.306 32.827 32.500 0.034 0.000 0.853 252 K HN 0.359 nan 8.250 nan 0.000 0.523 253 K N 0.670 121.107 120.400 0.062 0.000 2.098 253 K HA 0.267 4.587 4.320 -0.000 0.000 0.257 253 K C 1.056 177.710 176.600 0.090 0.000 0.999 253 K CA -0.314 56.027 56.287 0.090 0.000 0.924 253 K CB 1.183 33.761 32.500 0.130 0.000 1.028 253 K HN -0.091 nan 8.250 nan 0.000 0.466 254 R N 0.445 121.015 120.500 0.117 0.000 2.316 254 R HA 0.095 4.435 4.340 -0.000 0.000 0.201 254 R C 0.015 176.417 176.300 0.170 0.000 0.888 254 R CA 0.020 56.185 56.100 0.109 0.000 1.041 254 R CB 0.353 30.707 30.300 0.091 0.000 1.115 254 R HN 0.424 nan 8.270 nan 0.000 0.559 255 F N 1.290 121.287 119.950 0.078 0.000 2.332 255 F HA 0.207 4.734 4.527 -0.000 0.000 0.368 255 F C -0.781 175.205 175.800 0.310 0.000 1.110 255 F CA -0.851 57.247 58.000 0.163 0.000 1.087 255 F CB 0.313 39.383 39.000 0.116 0.000 1.235 255 F HN 0.072 nan 8.300 nan 0.000 0.470 256 Y N 4.354 124.451 120.300 -0.338 0.000 3.038 256 Y HA -0.180 4.370 4.550 -0.000 0.000 0.176 256 Y C -2.163 173.713 175.900 -0.041 0.000 1.628 256 Y CA -0.252 57.711 58.100 -0.229 0.000 1.020 256 Y CB -1.839 36.473 38.460 -0.248 0.000 1.423 256 Y HN 0.423 nan 8.280 nan 0.000 0.418 257 P HA 0.303 nan 4.420 nan 0.000 0.272 257 P C 1.158 178.482 177.300 0.041 0.000 1.223 257 P CA 1.299 64.432 63.100 0.055 0.000 0.784 257 P CB 1.505 33.220 31.700 0.024 0.000 0.923 258 G N 1.338 110.164 108.800 0.043 0.000 2.234 258 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 258 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 258 G C 0.013 174.938 174.900 0.041 0.000 0.987 258 G CA 0.267 45.387 45.100 0.032 0.000 0.625 258 G HN 0.628 nan 8.290 nan 0.000 0.532 259 K N -0.144 120.296 120.400 0.066 0.000 2.328 259 K HA 0.714 5.034 4.320 -0.000 0.000 0.246 259 K C -0.058 176.564 176.600 0.037 0.000 0.955 259 K CA -0.991 55.334 56.287 0.065 0.000 0.817 259 K CB 2.116 34.691 32.500 0.125 0.000 1.208 259 K HN 0.118 nan 8.250 nan 0.000 0.432 260 L N 1.904 123.108 121.223 -0.032 0.000 2.350 260 L HA 0.417 4.756 4.340 -0.000 0.000 0.275 260 L C -0.373 176.413 176.870 -0.140 0.000 1.099 260 L CA -0.949 53.813 54.840 -0.129 0.000 0.808 260 L CB 1.099 42.992 42.059 -0.275 0.000 1.149 260 L HN 0.240 nan 8.230 nan 0.000 0.442 261 V N 1.454 121.261 119.914 -0.178 0.000 2.656 261 V HA 0.765 4.884 4.120 -0.000 0.000 0.307 261 V C -0.063 175.829 176.094 -0.337 0.000 1.051 261 V CA -0.369 61.783 62.300 -0.248 0.000 0.893 261 V CB 2.089 33.775 31.823 -0.227 0.000 0.999 261 V HN 1.003 nan 8.190 nan 0.000 0.426 262 T N 0.245 114.591 114.554 -0.348 0.000 2.718 262 T HA 0.532 4.882 4.350 -0.000 0.000 0.306 262 T C 0.597 175.132 174.700 -0.274 0.000 1.485 262 T CA 0.103 62.000 62.100 -0.339 0.000 0.997 262 T CB 1.539 70.222 68.868 -0.308 0.000 1.504 262 T HN 0.738 nan 8.240 nan 0.000 0.497 263 G N -0.395 108.242 108.800 -0.270 0.000 2.595 263 G HA2 0.510 4.470 3.960 -0.000 0.000 0.213 263 G HA3 0.510 4.470 3.960 -0.000 0.000 0.213 263 G C -0.028 175.052 174.900 0.299 0.000 1.141 263 G CA 0.072 45.180 45.100 0.013 0.000 0.806 263 G HN 0.923 nan 8.290 nan 0.000 0.530 264 F N -2.559 117.457 119.950 0.109 0.000 2.858 264 F HA 0.793 5.320 4.527 -0.000 0.000 0.319 264 F C -0.641 175.208 175.800 0.083 0.000 1.166 264 F CA -1.789 56.355 58.000 0.241 0.000 0.899 264 F CB 0.931 40.009 39.000 0.130 0.000 1.332 264 F HN 0.156 nan 8.300 nan 0.000 0.461 265 A N 0.963 124.014 122.820 0.384 0.000 2.515 265 A HA 0.934 5.254 4.320 -0.000 0.000 0.296 265 A C -2.306 175.368 177.584 0.150 0.000 1.094 265 A CA -0.920 51.114 52.037 -0.006 0.000 0.718 265 A CB 2.012 20.969 19.000 -0.071 0.000 1.307 265 A HN 1.304 nan 8.150 nan 0.000 0.408 266 L N 0.493 121.751 121.223 0.057 0.000 2.588 266 L HA 0.741 5.081 4.340 -0.000 0.000 0.263 266 L C 0.023 176.937 176.870 0.073 0.000 0.935 266 L CA 1.263 56.202 54.840 0.164 0.000 0.891 266 L CB 1.858 43.942 42.059 0.041 0.000 1.318 266 L HN 1.808 nan 8.230 nan 0.000 0.409 267 G N 1.390 110.200 108.800 0.018 0.000 2.360 267 G HA2 0.381 4.341 3.960 -0.000 0.000 0.276 267 G HA3 0.381 4.341 3.960 -0.000 0.000 0.276 267 G C -1.059 173.608 174.900 -0.388 0.000 1.256 267 G CA -0.018 45.002 45.100 -0.133 0.000 0.890 267 G HN 0.934 nan 8.290 nan 0.000 0.486 268 S N -0.707 114.795 115.700 -0.330 0.000 2.641 268 S HA 0.340 4.809 4.470 -0.000 0.000 0.261 268 S C 1.331 175.638 174.600 -0.488 0.000 1.257 268 S CA 0.905 58.925 58.200 -0.301 0.000 0.983 268 S CB 1.445 64.555 63.200 -0.150 0.000 0.990 268 S HN 0.873 nan 8.310 nan 0.000 0.572 269 Q N 0.488 120.168 119.800 -0.201 0.000 2.226 269 Q HA -0.009 4.331 4.340 -0.000 0.000 0.204 269 Q C 1.856 177.835 176.000 -0.035 0.000 0.975 269 Q CA 1.640 57.411 55.803 -0.053 0.000 0.866 269 Q CB -0.336 28.434 28.738 0.053 0.000 0.915 269 Q HN 0.723 nan 8.270 nan 0.000 0.440 270 K N -0.492 119.872 120.400 -0.060 0.000 2.097 270 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 270 K C 1.854 178.478 176.600 0.041 0.000 1.050 270 K CA 1.108 57.397 56.287 0.002 0.000 0.938 270 K CB -0.200 32.290 32.500 -0.017 0.000 0.718 270 K HN 0.266 nan 8.250 nan 0.000 0.442 271 L N 0.434 121.620 121.223 -0.061 0.000 2.027 271 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 271 L C 1.949 178.925 176.870 0.177 0.000 1.074 271 L CA 1.720 56.583 54.840 0.039 0.000 0.745 271 L CB -0.653 41.321 42.059 -0.141 0.000 0.898 271 L HN 0.128 nan 8.230 nan 0.000 0.433 272 Y N -0.662 119.708 120.300 0.117 0.000 2.403 272 Y HA -0.195 4.355 4.550 -0.000 0.000 0.291 272 Y C 2.530 178.485 175.900 0.091 0.000 1.143 272 Y CA 0.937 59.086 58.100 0.082 0.000 1.257 272 Y CB -1.010 37.471 38.460 0.035 0.000 0.984 272 Y HN 0.353 nan 8.280 nan 0.000 0.550 273 D N -1.434 119.112 120.400 0.243 0.000 2.194 273 D HA -0.173 4.467 4.640 -0.000 0.000 0.204 273 D C 1.896 178.320 176.300 0.206 0.000 0.964 273 D CA 0.639 54.750 54.000 0.185 0.000 0.846 273 D CB -0.046 40.841 40.800 0.145 0.000 0.962 273 D HN 0.378 nan 8.370 nan 0.000 0.490 274 Y N 1.365 121.741 120.300 0.128 0.000 2.243 274 Y HA -0.121 4.429 4.550 -0.000 0.000 0.293 274 Y C 2.074 178.080 175.900 0.176 0.000 1.124 274 Y CA 1.511 59.691 58.100 0.132 0.000 1.159 274 Y CB -0.461 38.081 38.460 0.138 0.000 1.008 274 Y HN -0.099 nan 8.280 nan 0.000 0.527 275 V N -1.186 118.799 119.914 0.117 0.000 2.871 275 V HA -0.040 4.080 4.120 -0.000 0.000 0.256 275 V C 0.596 176.726 176.094 0.059 0.000 1.082 275 V CA 1.143 63.504 62.300 0.102 0.000 1.105 275 V CB -0.926 31.159 31.823 0.437 0.000 0.713 275 V HN 0.283 nan 8.190 nan 0.000 0.473 276 D N 2.244 122.685 120.400 0.069 0.000 2.455 276 D HA 0.032 4.672 4.640 -0.000 0.000 0.265 276 D C 0.702 177.035 176.300 0.054 0.000 1.284 276 D CA 1.142 55.174 54.000 0.054 0.000 0.944 276 D CB -0.536 40.304 40.800 0.068 0.000 1.121 276 D HN 0.539 nan 8.370 nan 0.000 0.525 277 D N 2.582 123.053 120.400 0.119 0.000 2.751 277 D HA -0.258 4.382 4.640 -0.000 0.000 0.233 277 D C -0.918 175.364 176.300 -0.029 0.000 1.149 277 D CA 0.375 54.500 54.000 0.209 0.000 0.682 277 D CB -1.203 39.707 40.800 0.182 0.000 1.068 277 D HN 0.404 nan 8.370 nan 0.000 0.429 278 N N 0.137 118.734 118.700 -0.171 0.000 2.485 278 N HA 0.278 5.018 4.740 -0.000 0.000 0.243 278 N C -1.838 173.363 175.510 -0.514 0.000 0.987 278 N CA -1.970 50.893 53.050 -0.311 0.000 0.940 278 N CB 1.452 39.737 38.487 -0.337 0.000 1.122 278 N HN -0.038 nan 8.380 nan 0.000 0.509 279 P HA -0.102 nan 4.420 nan 0.000 0.218 279 P C 0.577 177.790 177.300 -0.146 0.000 1.146 279 P CA 1.046 63.893 63.100 -0.422 0.000 0.813 279 P CB 0.326 31.925 31.700 -0.168 0.000 0.778 280 A N -1.379 121.364 122.820 -0.130 0.000 2.169 280 A HA 0.077 4.397 4.320 -0.000 0.000 0.212 280 A C 0.836 178.396 177.584 -0.040 0.000 1.153 280 A CA 0.597 52.604 52.037 -0.051 0.000 0.756 280 A CB -0.395 18.588 19.000 -0.028 0.000 0.813 280 A HN 0.053 nan 8.150 nan 0.000 0.471 281 V N 2.229 122.105 119.914 -0.063 0.000 2.357 281 V HA 0.355 4.474 4.120 -0.000 0.000 0.284 281 V C -0.768 175.407 176.094 0.135 0.000 1.018 281 V CA -0.520 61.782 62.300 0.003 0.000 0.841 281 V CB 1.347 33.194 31.823 0.040 0.000 0.991 281 V HN 0.254 nan 8.190 nan 0.000 0.437 282 I N 5.475 126.086 120.570 0.068 0.000 2.355 282 I HA 0.473 4.643 4.170 -0.000 0.000 0.288 282 I C -0.191 175.936 176.117 0.016 0.000 0.999 282 I CA -0.329 61.049 61.300 0.130 0.000 1.163 282 I CB 1.154 39.195 38.000 0.068 0.000 1.316 282 I HN 0.378 nan 8.210 nan 0.000 0.454 286 I N 0.858 121.494 120.570 0.110 0.000 2.399 286 I HA -0.151 4.018 4.170 -0.000 0.000 0.254 286 I C 1.724 177.859 176.117 0.029 0.000 1.146 286 I CA 1.250 62.605 61.300 0.091 0.000 1.412 286 I CB -0.123 37.960 38.000 0.138 0.000 1.076 286 I HN 0.469 nan 8.210 nan 0.000 0.432 287 E N 0.637 120.847 120.200 0.016 0.000 2.265 287 E HA -0.251 4.098 4.350 -0.000 0.000 0.196 287 E C 1.990 178.578 176.600 -0.020 0.000 0.996 287 E CA 1.233 57.624 56.400 -0.015 0.000 0.832 287 E CB 0.165 29.857 29.700 -0.014 0.000 0.756 287 E HN 0.605 nan 8.360 nan 0.000 0.491 288 Q N -0.707 119.096 119.800 0.004 0.000 2.388 288 Q HA 0.051 4.391 4.340 -0.000 0.000 0.204 288 Q C 1.953 177.938 176.000 -0.025 0.000 0.946 288 Q CA 0.769 56.571 55.803 -0.001 0.000 0.880 288 Q CB -0.248 28.534 28.738 0.074 0.000 0.997 288 Q HN 0.173 nan 8.270 nan 0.000 0.552 289 V N 1.206 121.128 119.914 0.013 0.000 2.469 289 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 289 V C 0.289 176.383 176.094 -0.000 0.000 1.064 289 V CA 1.968 64.287 62.300 0.033 0.000 1.066 289 V CB -0.193 31.597 31.823 -0.054 0.000 0.667 289 V HN 0.387 nan 8.190 nan 0.000 0.461 290 N N 0.569 119.205 118.700 -0.107 0.000 2.279 290 N HA 0.147 4.887 4.740 -0.000 0.000 0.226 290 N C -0.361 174.955 175.510 -0.323 0.000 1.126 290 N CA 0.025 52.884 53.050 -0.318 0.000 0.846 290 N CB 0.005 38.410 38.487 -0.137 0.000 1.050 290 N HN 0.474 nan 8.380 nan 0.000 0.502 291 D N 0.117 120.366 120.400 -0.251 0.000 2.359 291 D HA 0.030 4.670 4.640 -0.000 0.000 0.230 291 D C 1.237 177.374 176.300 -0.271 0.000 1.118 291 D CA -0.025 53.840 54.000 -0.224 0.000 0.844 291 D CB 1.017 41.722 40.800 -0.159 0.000 1.059 291 D HN 0.267 nan 8.370 nan 0.000 0.493 292 T N 0.451 114.846 114.554 -0.265 0.000 2.778 292 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 292 T C 1.830 176.416 174.700 -0.191 0.000 1.050 292 T CA 1.682 63.641 62.100 -0.234 0.000 1.137 292 T CB -0.109 68.646 68.868 -0.188 0.000 0.860 292 T HN 0.250 nan 8.240 nan 0.000 0.468 293 S N 0.417 116.016 115.700 -0.168 0.000 2.419 293 S HA 0.040 4.510 4.470 -0.000 0.000 0.233 293 S C 1.905 176.396 174.600 -0.182 0.000 1.016 293 S CA 0.855 58.971 58.200 -0.139 0.000 0.974 293 S CB -0.563 62.575 63.200 -0.104 0.000 0.786 293 S HN 0.660 nan 8.310 nan 0.000 0.492 294 I N 0.523 120.933 120.570 -0.267 0.000 2.628 294 I HA 0.023 4.193 4.170 -0.000 0.000 0.255 294 I C 2.018 177.828 176.117 -0.511 0.000 1.119 294 I CA 0.564 61.597 61.300 -0.444 0.000 1.448 294 I CB -0.236 37.401 38.000 -0.605 0.000 1.133 294 I HN 0.264 nan 8.210 nan 0.000 0.438 295 I N 1.564 121.876 120.570 -0.431 0.000 2.194 295 I HA -0.324 3.846 4.170 -0.000 0.000 0.246 295 I C 2.684 178.657 176.117 -0.240 0.000 1.093 295 I CA 1.602 62.669 61.300 -0.389 0.000 1.355 295 I CB -0.613 37.238 38.000 -0.249 0.000 1.046 295 I HN 0.326 nan 8.210 nan 0.000 0.413 296 R N 1.884 122.280 120.500 -0.174 0.000 2.241 296 R HA -0.142 4.197 4.340 -0.000 0.000 0.224 296 R C 1.785 178.034 176.300 -0.085 0.000 1.101 296 R CA 1.115 57.156 56.100 -0.099 0.000 0.995 296 R CB -0.471 29.781 30.300 -0.081 0.000 0.870 296 R HN 0.342 nan 8.270 nan 0.000 0.463 297 K N 0.460 120.788 120.400 -0.121 0.000 2.283 297 K HA 0.008 4.328 4.320 -0.000 0.000 0.202 297 K C -0.011 176.582 176.600 -0.012 0.000 1.048 297 K CA 0.573 56.828 56.287 -0.053 0.000 0.948 297 K CB -0.032 32.447 32.500 -0.034 0.000 0.742 297 K HN 0.213 nan 8.250 nan 0.000 0.458 298 N N 1.893 120.567 118.700 -0.043 0.000 2.434 298 N HA 0.165 4.905 4.740 -0.000 0.000 0.272 298 N C -2.607 172.908 175.510 0.009 0.000 1.040 298 N CA -1.642 51.411 53.050 0.004 0.000 0.956 298 N CB 1.199 39.685 38.487 -0.001 0.000 1.108 298 N HN -0.005 nan 8.380 nan 0.000 0.481 299 P HA 0.117 nan 4.420 nan 0.000 0.274 299 P C -0.358 176.963 177.300 0.035 0.000 1.231 299 P CA -0.088 63.029 63.100 0.027 0.000 0.790 299 P CB 0.633 32.350 31.700 0.029 0.000 0.951 300 N N -1.525 117.199 118.700 0.040 0.000 2.735 300 N HA -0.111 4.629 4.740 -0.000 0.000 0.248 300 N C 0.243 175.782 175.510 0.049 0.000 1.083 300 N CA 0.412 53.491 53.050 0.048 0.000 0.703 300 N CB -1.995 36.518 38.487 0.044 0.000 1.005 300 N HN 0.196 nan 8.380 nan 0.000 0.550 304 I N 3.736 124.276 120.570 -0.050 0.000 2.382 304 I HA 0.382 4.551 4.170 -0.000 0.000 0.285 304 I C -0.270 175.830 176.117 -0.029 0.000 1.007 304 I CA -0.453 60.826 61.300 -0.035 0.000 1.142 304 I CB 1.545 39.513 38.000 -0.053 0.000 1.289 304 I HN 0.652 nan 8.210 nan 0.000 0.453 305 N N 3.256 121.962 118.700 0.009 0.000 2.701 305 N HA 0.515 5.255 4.740 -0.000 0.000 0.290 305 N C -0.992 174.543 175.510 0.043 0.000 1.338 305 N CA -0.571 52.496 53.050 0.029 0.000 0.799 305 N CB 2.270 40.792 38.487 0.059 0.000 1.491 305 N HN 0.433 nan 8.380 nan 0.000 0.540 306 S N -1.143 114.593 115.700 0.059 0.000 2.751 306 S HA 0.904 5.373 4.470 -0.000 0.000 0.310 306 S C -1.436 173.200 174.600 0.060 0.000 1.128 306 S CA -0.416 57.817 58.200 0.054 0.000 0.931 306 S CB 1.508 64.740 63.200 0.054 0.000 1.177 306 S HN 0.732 nan 8.310 nan 0.000 0.530 307 A N 0.432 123.276 122.820 0.041 0.000 2.609 307 A HA 0.673 4.993 4.320 -0.000 0.000 0.291 307 A C -0.303 177.277 177.584 -0.007 0.000 1.096 307 A CA -0.620 51.435 52.037 0.030 0.000 0.684 307 A CB 0.344 19.366 19.000 0.036 0.000 1.282 307 A HN 0.716 nan 8.150 nan 0.000 0.412 308 L N -0.660 120.546 121.223 -0.028 0.000 2.286 308 L HA 0.319 4.659 4.340 -0.000 0.000 0.203 308 L C 1.023 177.860 176.870 -0.056 0.000 1.068 308 L CA 0.840 55.635 54.840 -0.076 0.000 0.811 308 L CB 0.208 42.196 42.059 -0.118 0.000 0.989 308 L HN 0.784 nan 8.230 nan 0.000 0.467 309 Q N 0.321 120.104 119.800 -0.029 0.000 2.309 309 Q HA 0.527 4.867 4.340 -0.000 0.000 0.273 309 Q C -1.924 174.078 176.000 0.004 0.000 1.040 309 Q CA -0.383 55.407 55.803 -0.022 0.000 0.834 309 Q CB 3.027 31.749 28.738 -0.027 0.000 1.345 309 Q HN -0.111 nan 8.270 nan 0.000 0.414 310 V N 3.238 123.155 119.914 0.005 0.000 2.638 310 V HA 0.339 4.458 4.120 -0.000 0.000 0.306 310 V C -0.606 175.501 176.094 0.021 0.000 1.052 310 V CA -0.850 61.461 62.300 0.019 0.000 0.885 310 V CB 1.813 33.646 31.823 0.017 0.000 0.999 310 V HN 0.939 nan 8.190 nan 0.000 0.424 311 D N 3.429 123.851 120.400 0.037 0.000 2.387 311 D HA 0.269 4.908 4.640 -0.000 0.000 0.251 311 D C 0.952 177.231 176.300 -0.034 0.000 1.141 311 D CA -0.759 53.275 54.000 0.058 0.000 0.987 311 D CB 1.215 42.112 40.800 0.163 0.000 1.116 311 D HN 0.334 nan 8.370 nan 0.000 0.491 312 L N -0.476 120.704 121.223 -0.072 0.000 2.651 312 L HA -0.095 4.245 4.340 -0.000 0.000 0.236 312 L C 1.880 178.515 176.870 -0.392 0.000 1.173 312 L CA 0.898 55.610 54.840 -0.213 0.000 0.843 312 L CB -0.468 41.448 42.059 -0.238 0.000 0.964 312 L HN 0.556 nan 8.230 nan 0.000 0.454 313 T N -1.669 112.627 114.554 -0.430 0.000 2.990 313 T HA 0.228 4.578 4.350 -0.000 0.000 0.250 313 T C 1.250 175.831 174.700 -0.198 0.000 1.041 313 T CA 0.845 62.673 62.100 -0.453 0.000 1.010 313 T CB 0.361 68.817 68.868 -0.688 0.000 1.003 313 T HN 0.548 nan 8.240 nan 0.000 0.499 314 G N 1.236 109.969 108.800 -0.112 0.000 2.192 314 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.193 314 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.193 314 G C -0.136 174.770 174.900 0.011 0.000 0.999 314 G CA -0.443 44.634 45.100 -0.038 0.000 0.659 314 G HN 0.530 nan 8.290 nan 0.000 0.503 315 Q N 0.568 120.381 119.800 0.022 0.000 2.297 315 Q HA 0.466 4.806 4.340 -0.000 0.000 0.267 315 Q C -0.040 175.998 176.000 0.064 0.000 1.006 315 Q CA -0.024 55.818 55.803 0.065 0.000 0.896 315 Q CB 2.086 30.881 28.738 0.095 0.000 1.186 315 Q HN 0.191 nan 8.270 nan 0.000 0.392 316 V N 2.906 122.864 119.914 0.073 0.000 2.394 316 V HA 0.204 4.323 4.120 -0.000 0.000 0.282 316 V C -0.230 175.903 176.094 0.065 0.000 1.031 316 V CA -0.794 61.545 62.300 0.065 0.000 0.881 316 V CB 1.481 33.346 31.823 0.070 0.000 0.982 316 V HN 0.888 nan 8.190 nan 0.000 0.451 317 C N 4.954 124.283 119.300 0.049 0.000 2.298 317 C HA 0.839 5.299 4.460 -0.000 0.000 0.323 317 C C 0.860 175.869 174.990 0.030 0.000 1.284 317 C CA 0.313 59.356 59.018 0.041 0.000 1.577 317 C CB 0.323 28.079 27.740 0.026 0.000 2.249 317 C HN 1.053 nan 8.230 nan 0.000 0.497 318 A N 3.880 126.725 122.820 0.042 0.000 2.704 318 A HA 0.262 4.582 4.320 -0.000 0.000 0.260 318 A C 0.954 178.562 177.584 0.039 0.000 1.144 318 A CA 0.431 52.494 52.037 0.043 0.000 0.985 318 A CB 0.000 19.047 19.000 0.078 0.000 1.256 318 A HN 0.903 nan 8.150 nan 0.000 0.598 319 D N -0.130 120.279 120.400 0.015 0.000 2.433 319 D HA 0.158 4.797 4.640 -0.000 0.000 0.211 319 D C 0.384 176.634 176.300 -0.084 0.000 1.114 319 D CA 1.032 55.002 54.000 -0.050 0.000 0.837 319 D CB 0.138 40.925 40.800 -0.021 0.000 0.984 319 D HN 0.391 nan 8.370 nan 0.000 0.505 320 S N -0.798 114.880 115.700 -0.035 0.000 2.636 320 S HA 0.561 5.031 4.470 -0.000 0.000 0.266 320 S C -1.179 173.401 174.600 -0.034 0.000 1.147 320 S CA -1.018 57.161 58.200 -0.035 0.000 0.815 320 S CB 0.834 63.988 63.200 -0.077 0.000 1.119 320 S HN 0.064 nan 8.310 nan 0.000 0.470 321 I N 2.161 122.714 120.570 -0.028 0.000 2.502 321 I HA 0.590 4.760 4.170 -0.000 0.000 0.276 321 I C 0.989 177.092 176.117 -0.023 0.000 1.057 321 I CA 0.306 61.583 61.300 -0.039 0.000 1.163 321 I CB 0.348 38.318 38.000 -0.050 0.000 1.288 321 I HN 1.305 nan 8.210 nan 0.000 0.479 322 G N 4.591 113.381 108.800 -0.018 0.000 2.552 322 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.267 322 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.267 322 G C 0.755 175.651 174.900 -0.007 0.000 1.174 322 G CA 0.490 45.584 45.100 -0.010 0.000 0.955 322 G HN 0.559 nan 8.290 nan 0.000 0.546 323 T N -0.183 114.367 114.554 -0.008 0.000 3.040 323 T HA 0.362 4.712 4.350 -0.000 0.000 0.250 323 T C 0.713 175.402 174.700 -0.019 0.000 1.058 323 T CA 1.166 63.263 62.100 -0.005 0.000 0.988 323 T CB 0.064 68.932 68.868 0.000 0.000 0.993 323 T HN 0.778 nan 8.240 nan 0.000 0.519 324 K N 2.638 123.023 120.400 -0.026 0.000 2.262 324 K HA 0.340 4.660 4.320 -0.000 0.000 0.282 324 K C -0.366 176.190 176.600 -0.073 0.000 1.066 324 K CA -0.860 55.403 56.287 -0.040 0.000 0.901 324 K CB 1.009 33.497 32.500 -0.020 0.000 1.089 324 K HN 0.130 nan 8.250 nan 0.000 0.476 325 I N 3.833 124.313 120.570 -0.151 0.000 2.598 325 I HA -0.073 4.097 4.170 -0.000 0.000 0.284 325 I C 1.199 177.181 176.117 -0.224 0.000 1.140 325 I CA 0.052 61.169 61.300 -0.304 0.000 1.420 325 I CB -0.482 37.161 38.000 -0.595 0.000 1.387 325 I HN 0.685 nan 8.210 nan 0.000 0.553 326 Y N 5.903 126.022 120.300 -0.303 0.000 2.422 326 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 326 Y C 1.869 177.596 175.900 -0.288 0.000 1.144 326 Y CA 1.329 59.292 58.100 -0.227 0.000 1.208 326 Y CB 0.619 38.987 38.460 -0.152 0.000 1.195 326 Y HN 0.710 nan 8.280 nan 0.000 0.535 327 S N -1.436 114.066 115.700 -0.329 0.000 3.830 327 S HA 0.758 5.228 4.470 -0.000 0.000 0.172 327 S C 0.420 174.383 174.600 -1.061 0.000 0.966 327 S CA 0.025 57.807 58.200 -0.697 0.000 1.124 327 S CB 1.091 64.000 63.200 -0.485 0.000 1.697 327 S HN 0.519 nan 8.310 nan 0.000 0.872 328 G N -0.204 107.920 108.800 -1.128 0.000 2.451 328 G HA2 0.473 4.433 3.960 -0.000 0.000 0.292 328 G HA3 0.473 4.433 3.960 -0.000 0.000 0.292 328 G C 0.096 175.004 174.900 0.014 0.000 1.427 328 G CA -0.012 44.795 45.100 -0.488 0.000 0.792 328 G HN 0.605 nan 8.290 nan 0.000 0.498 329 V N 0.828 120.893 119.914 0.252 0.000 2.295 329 V HA 0.169 4.289 4.120 -0.000 0.000 0.246 329 V C 2.721 179.053 176.094 0.396 0.000 1.049 329 V CA 3.216 65.676 62.300 0.268 0.000 1.024 329 V CB -1.382 30.536 31.823 0.157 0.000 0.648 329 V HN 2.353 nan 8.190 nan 0.000 0.447 330 G N 0.174 109.290 108.800 0.527 0.000 2.596 330 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.304 330 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.304 330 G C 0.740 175.859 174.900 0.364 0.000 1.189 330 G CA 0.253 45.647 45.100 0.490 0.000 0.986 330 G HN 1.508 nan 8.290 nan 0.000 0.548 331 G N -0.172 108.831 108.800 0.338 0.000 5.129 331 G HA2 0.596 4.556 3.960 -0.000 0.000 0.253 331 G HA3 0.596 4.556 3.960 -0.000 0.000 0.253 331 G C 0.330 175.434 174.900 0.340 0.000 0.912 331 G CA 1.145 46.420 45.100 0.291 0.000 0.729 331 G HN 1.132 nan 8.290 nan 0.000 0.373 335 F N 1.596 121.524 119.950 -0.037 0.000 2.259 335 F HA 0.195 4.722 4.527 -0.000 0.000 0.298 335 F C 2.308 178.113 175.800 0.009 0.000 1.088 335 F CA 0.864 58.860 58.000 -0.006 0.000 1.358 335 F CB -0.147 38.861 39.000 0.014 0.000 1.040 335 F HN -0.007 nan 8.300 nan 0.000 0.505 336 I N -0.875 119.801 120.570 0.177 0.000 2.439 336 I HA -0.214 3.955 4.170 -0.000 0.000 0.251 336 I C 2.512 178.712 176.117 0.138 0.000 1.139 336 I CA 0.773 62.160 61.300 0.145 0.000 1.438 336 I CB -0.210 37.852 38.000 0.103 0.000 1.085 336 I HN -0.020 nan 8.210 nan 0.000 0.427 337 R N 1.477 122.036 120.500 0.099 0.000 2.062 337 R HA -0.026 4.313 4.340 -0.000 0.000 0.226 337 R C 2.220 178.544 176.300 0.041 0.000 1.125 337 R CA 1.712 57.881 56.100 0.115 0.000 0.966 337 R CB -1.207 29.156 30.300 0.106 0.000 0.861 337 R HN 0.269 nan 8.270 nan 0.000 0.433 338 G N -0.205 108.591 108.800 -0.006 0.000 2.442 338 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 338 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 338 G C 1.522 176.435 174.900 0.022 0.000 1.141 338 G CA 0.909 45.990 45.100 -0.032 0.000 0.763 338 G HN 0.490 nan 8.290 nan 0.000 0.554 339 A N 0.709 123.578 122.820 0.082 0.000 1.930 339 A HA 0.196 4.516 4.320 -0.000 0.000 0.217 339 A C 2.659 180.298 177.584 0.091 0.000 1.175 339 A CA 1.970 54.072 52.037 0.108 0.000 0.627 339 A CB -0.815 18.278 19.000 0.156 0.000 0.815 339 A HN 0.497 nan 8.150 nan 0.000 0.443 340 G N -0.481 108.364 108.800 0.075 0.000 2.421 340 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.217 340 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.217 340 G C 1.474 176.375 174.900 0.002 0.000 1.143 340 G CA 0.836 45.954 45.100 0.030 0.000 0.784 340 G HN 0.430 nan 8.290 nan 0.000 0.541 341 L N 0.795 122.018 121.223 0.001 0.000 2.240 341 L HA 0.116 4.455 4.340 -0.000 0.000 0.211 341 L C 1.905 178.769 176.870 -0.010 0.000 1.106 341 L CA 0.037 54.868 54.840 -0.015 0.000 0.793 341 L CB -0.237 41.805 42.059 -0.028 0.000 0.927 341 L HN 0.217 nan 8.230 nan 0.000 0.446 342 S N 0.623 116.325 115.700 0.002 0.000 2.572 342 S HA 0.003 4.473 4.470 -0.000 0.000 0.279 342 S C 0.247 174.857 174.600 0.017 0.000 1.341 342 S CA -0.545 57.659 58.200 0.007 0.000 1.043 342 S CB 0.327 63.538 63.200 0.018 0.000 0.887 342 S HN 0.204 nan 8.310 nan 0.000 0.516 343 E N 2.305 122.514 120.200 0.015 0.000 2.292 343 E HA 0.306 4.655 4.350 -0.000 0.000 0.265 343 E C 1.139 177.759 176.600 0.034 0.000 1.093 343 E CA 0.496 56.908 56.400 0.020 0.000 0.922 343 E CB -0.065 29.645 29.700 0.017 0.000 1.001 343 E HN 1.002 nan 8.360 nan 0.000 0.444 344 G N 3.188 112.013 108.800 0.041 0.000 2.153 344 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.252 344 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.252 344 G C 0.544 175.495 174.900 0.085 0.000 0.994 344 G CA -0.189 44.947 45.100 0.061 0.000 0.698 344 G HN 0.753 nan 8.290 nan 0.000 0.521 345 G N -0.802 108.048 108.800 0.083 0.000 2.503 345 G HA2 0.640 4.600 3.960 -0.000 0.000 0.257 345 G HA3 0.640 4.600 3.960 -0.000 0.000 0.257 345 G C 0.006 175.020 174.900 0.190 0.000 1.214 345 G CA -0.416 44.749 45.100 0.109 0.000 0.839 345 G HN 0.593 nan 8.290 nan 0.000 0.559 346 R N -0.452 120.172 120.500 0.207 0.000 2.698 346 R HA 0.602 4.942 4.340 -0.000 0.000 0.275 346 R C -0.454 175.977 176.300 0.218 0.000 1.001 346 R CA -0.659 55.630 56.100 0.315 0.000 0.896 346 R CB 2.360 32.781 30.300 0.203 0.000 1.218 346 R HN 0.759 nan 8.270 nan 0.000 0.462 347 S N 0.105 115.965 115.700 0.267 0.000 2.634 347 S HA 0.854 5.324 4.470 -0.000 0.000 0.296 347 S C -0.915 173.755 174.600 0.117 0.000 1.104 347 S CA -0.705 57.598 58.200 0.171 0.000 0.920 347 S CB 2.061 65.388 63.200 0.211 0.000 1.111 347 S HN 0.223 nan 8.310 nan 0.000 0.493 348 V N 1.951 121.913 119.914 0.080 0.000 2.817 348 V HA 0.411 4.531 4.120 -0.000 0.000 0.303 348 V C -1.330 174.800 176.094 0.060 0.000 1.151 348 V CA -0.681 61.658 62.300 0.065 0.000 0.929 348 V CB 1.972 33.777 31.823 -0.031 0.000 1.030 348 V HN 0.912 nan 8.190 nan 0.000 0.427 349 I N 3.973 124.588 120.570 0.076 0.000 2.330 349 I HA 0.616 4.786 4.170 -0.000 0.000 0.286 349 I C 0.484 176.630 176.117 0.049 0.000 1.025 349 I CA -0.109 61.229 61.300 0.063 0.000 1.197 349 I CB 1.398 39.441 38.000 0.071 0.000 1.358 349 I HN 0.754 nan 8.210 nan 0.000 0.467 350 A N 8.870 131.711 122.820 0.036 0.000 2.288 350 A HA 0.887 5.207 4.320 -0.000 0.000 0.320 350 A C -0.458 177.145 177.584 0.032 0.000 1.217 350 A CA -0.450 51.605 52.037 0.030 0.000 0.840 350 A CB 1.124 20.134 19.000 0.017 0.000 1.179 350 A HN 0.750 nan 8.150 nan 0.000 0.504 351 L N -0.078 121.166 121.223 0.034 0.000 2.622 351 L HA 0.742 5.082 4.340 -0.000 0.000 0.258 351 L C -3.246 173.648 176.870 0.038 0.000 0.996 351 L CA -2.439 52.419 54.840 0.031 0.000 0.858 351 L CB 1.897 43.971 42.059 0.025 0.000 1.449 351 L HN 0.271 nan 8.230 nan 0.000 0.411 352 P HA 0.130 nan 4.420 nan 0.000 0.271 352 P C 0.659 178.010 177.300 0.086 0.000 1.216 352 P CA -0.074 63.058 63.100 0.053 0.000 0.776 352 P CB 1.240 32.966 31.700 0.044 0.000 0.881 353 S N 1.003 116.796 115.700 0.155 0.000 2.419 353 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 353 S C 0.923 175.621 174.600 0.163 0.000 1.019 353 S CA 1.489 59.823 58.200 0.224 0.000 0.982 353 S CB -1.056 62.421 63.200 0.462 0.000 0.789 353 S HN 0.660 nan 8.310 nan 0.000 0.490 354 T N -2.115 112.527 114.554 0.148 0.000 2.742 354 T HA 0.887 5.237 4.350 -0.000 0.000 0.282 354 T C -0.534 174.182 174.700 0.027 0.000 1.025 354 T CA -0.394 61.749 62.100 0.071 0.000 1.020 354 T CB 1.499 70.443 68.868 0.127 0.000 1.317 354 T HN 0.887 nan 8.240 nan 0.000 0.538 355 A N -0.920 121.902 122.820 0.003 0.000 2.493 355 A HA 0.886 5.206 4.320 -0.000 0.000 0.300 355 A C 0.336 177.920 177.584 0.000 0.000 1.152 355 A CA -0.262 51.770 52.037 -0.008 0.000 0.643 355 A CB 0.133 19.107 19.000 -0.043 0.000 1.316 355 A HN 2.533 nan 8.150 nan 0.000 0.469 356 A N -1.551 121.266 122.820 -0.005 0.000 2.799 356 A HA 0.320 4.640 4.320 -0.000 0.000 0.287 356 A C 1.943 179.538 177.584 0.018 0.000 1.484 356 A CA 2.310 54.350 52.037 0.004 0.000 0.813 356 A CB -1.843 17.157 19.000 -0.000 0.000 1.009 356 A HN 3.119 nan 8.150 nan 0.000 0.545 357 G N -2.977 105.836 108.800 0.023 0.000 2.195 357 G HA2 0.324 4.283 3.960 -0.000 0.000 0.246 357 G HA3 0.324 4.283 3.960 -0.000 0.000 0.246 357 G C 1.025 175.943 174.900 0.031 0.000 0.984 357 G CA 0.909 46.026 45.100 0.027 0.000 0.633 357 G HN 2.889 nan 8.290 nan 0.000 0.525 358 G N -0.726 108.098 108.800 0.039 0.000 2.154 358 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.186 358 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.186 358 G C 0.973 175.930 174.900 0.095 0.000 1.000 358 G CA 0.778 45.903 45.100 0.041 0.000 0.664 358 G HN 1.241 nan 8.290 nan 0.000 0.513 359 R N -0.224 120.341 120.500 0.107 0.000 2.265 359 R HA 0.381 4.721 4.340 -0.000 0.000 0.194 359 R C 0.873 177.305 176.300 0.220 0.000 0.931 359 R CA 0.261 56.463 56.100 0.169 0.000 1.032 359 R CB 0.506 30.857 30.300 0.084 0.000 0.980 359 R HN 0.456 nan 8.270 nan 0.000 0.497 360 I N 1.426 122.037 120.570 0.069 0.000 2.378 360 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 360 I C -0.135 175.793 176.117 -0.315 0.000 0.992 360 I CA -0.821 60.413 61.300 -0.109 0.000 1.154 360 I CB 2.120 40.073 38.000 -0.078 0.000 1.315 360 I HN -0.093 nan 8.210 nan 0.000 0.448 361 S N 5.529 120.785 115.700 -0.739 0.000 2.465 361 S HA 0.281 4.751 4.470 -0.000 0.000 0.279 361 S C 1.216 175.617 174.600 -0.332 0.000 1.201 361 S CA -0.504 57.225 58.200 -0.785 0.000 1.053 361 S CB 0.609 63.012 63.200 -1.329 0.000 0.953 361 S HN 0.587 nan 8.310 nan 0.000 0.488 362 R N 3.447 123.843 120.500 -0.172 0.000 2.189 362 R HA 0.115 4.455 4.340 -0.000 0.000 0.223 362 R C 0.102 176.359 176.300 -0.071 0.000 1.092 362 R CA 0.864 56.909 56.100 -0.093 0.000 0.989 362 R CB -0.159 30.118 30.300 -0.039 0.000 0.876 362 R HN 0.630 nan 8.270 nan 0.000 0.457 363 I N 1.782 122.306 120.570 -0.077 0.000 2.282 363 I HA 0.189 4.359 4.170 -0.000 0.000 0.290 363 I C 0.019 176.097 176.117 -0.065 0.000 1.090 363 I CA -0.505 60.771 61.300 -0.040 0.000 1.231 363 I CB 1.183 39.181 38.000 -0.002 0.000 1.434 363 I HN -0.016 nan 8.210 nan 0.000 0.487 364 A N 3.850 126.648 122.820 -0.038 0.000 2.294 364 A HA 0.485 4.805 4.320 -0.000 0.000 0.330 364 A C 1.205 178.829 177.584 0.067 0.000 1.133 364 A CA -0.291 51.736 52.037 -0.017 0.000 0.836 364 A CB 0.985 19.974 19.000 -0.018 0.000 1.190 364 A HN 0.727 nan 8.150 nan 0.000 0.492 365 S N 0.194 115.960 115.700 0.110 0.000 2.399 365 S HA 0.022 4.492 4.470 -0.000 0.000 0.231 365 S C 0.660 175.486 174.600 0.377 0.000 1.022 365 S CA 1.384 59.726 58.200 0.237 0.000 0.983 365 S CB -0.442 62.891 63.200 0.222 0.000 0.803 365 S HN 1.540 nan 8.310 nan 0.000 0.480 366 V N 0.559 120.605 119.914 0.221 0.000 3.087 366 V HA 0.520 4.639 4.120 -0.000 0.000 0.306 366 V C -1.338 174.824 176.094 0.114 0.000 1.187 366 V CA -1.287 61.145 62.300 0.219 0.000 0.999 366 V CB 1.939 33.809 31.823 0.078 0.000 1.049 366 V HN 0.331 nan 8.190 nan 0.000 0.431 367 L N 3.566 124.857 121.223 0.114 0.000 2.456 367 L HA 0.354 4.694 4.340 -0.000 0.000 0.272 367 L C 0.863 177.752 176.870 0.033 0.000 1.189 367 L CA 0.931 55.810 54.840 0.065 0.000 0.846 367 L CB 1.126 43.228 42.059 0.072 0.000 1.111 367 L HN 0.826 nan 8.230 nan 0.000 0.475 368 S N 4.316 120.025 115.700 0.015 0.000 2.558 368 S HA 0.099 4.568 4.470 -0.000 0.000 0.288 368 S C -2.214 172.388 174.600 0.004 0.000 1.318 368 S CA -0.712 57.489 58.200 0.003 0.000 1.056 368 S CB -0.066 63.130 63.200 -0.007 0.000 0.853 368 S HN 0.452 nan 8.310 nan 0.000 0.505 369 P HA 0.106 nan 4.420 nan 0.000 0.256 369 P C 0.897 178.199 177.300 0.004 0.000 1.173 369 P CA 1.209 64.308 63.100 -0.002 0.000 0.768 369 P CB -0.193 31.502 31.700 -0.007 0.000 0.758 370 G N 2.561 111.367 108.800 0.010 0.000 2.157 370 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 370 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 370 G C 0.458 175.371 174.900 0.021 0.000 0.979 370 G CA -0.126 44.984 45.100 0.016 0.000 0.650 370 G HN 0.843 nan 8.290 nan 0.000 0.529 371 A N 0.456 123.288 122.820 0.020 0.000 2.546 371 A HA 0.550 4.869 4.320 -0.000 0.000 0.243 371 A C 1.228 178.834 177.584 0.037 0.000 1.063 371 A CA 1.059 53.109 52.037 0.022 0.000 0.757 371 A CB 0.326 19.339 19.000 0.023 0.000 0.991 371 A HN 1.863 nan 8.150 nan 0.000 0.503 372 G N 1.649 110.471 108.800 0.037 0.000 2.372 372 G HA2 0.450 4.410 3.960 -0.000 0.000 0.286 372 G HA3 0.450 4.410 3.960 -0.000 0.000 0.286 372 G C -0.181 174.758 174.900 0.065 0.000 1.153 372 G CA -0.303 44.832 45.100 0.059 0.000 0.985 372 G HN 0.733 nan 8.290 nan 0.000 0.429 373 V N 3.902 123.861 119.914 0.076 0.000 2.455 373 V HA 0.025 4.145 4.120 -0.000 0.000 0.273 373 V C 1.152 177.308 176.094 0.103 0.000 1.045 373 V CA -0.189 62.163 62.300 0.087 0.000 0.976 373 V CB 1.241 33.120 31.823 0.095 0.000 0.993 373 V HN 0.572 nan 8.190 nan 0.000 0.475 374 V N 3.765 123.741 119.914 0.104 0.000 2.672 374 V HA 0.080 4.199 4.120 -0.000 0.000 0.242 374 V C 0.941 177.103 176.094 0.114 0.000 1.059 374 V CA 1.069 63.444 62.300 0.126 0.000 1.081 374 V CB 0.393 32.291 31.823 0.126 0.000 0.752 374 V HN 0.856 nan 8.190 nan 0.000 0.472 375 T N 1.432 116.039 114.554 0.088 0.000 2.812 375 T HA 0.493 4.843 4.350 -0.000 0.000 0.282 375 T C 0.048 174.837 174.700 0.149 0.000 0.990 375 T CA -0.253 61.882 62.100 0.058 0.000 0.960 375 T CB 1.646 70.535 68.868 0.034 0.000 0.948 375 T HN 0.531 nan 8.240 nan 0.000 0.438 376 T N 0.931 115.653 114.554 0.279 0.000 2.847 376 T HA 0.394 4.743 4.350 -0.000 0.000 0.279 376 T C 1.521 176.321 174.700 0.167 0.000 0.984 376 T CA -0.854 61.382 62.100 0.226 0.000 0.988 376 T CB 1.048 70.056 68.868 0.234 0.000 1.040 376 T HN 0.519 nan 8.240 nan 0.000 0.528 377 R N 0.629 121.184 120.500 0.091 0.000 2.115 377 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 377 R C 2.808 179.121 176.300 0.022 0.000 1.133 377 R CA 1.742 57.867 56.100 0.041 0.000 0.935 377 R CB -1.231 29.076 30.300 0.013 0.000 0.853 377 R HN 0.837 nan 8.270 nan 0.000 0.433 378 A N 0.307 123.116 122.820 -0.018 0.000 2.032 378 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 378 A C 1.696 179.214 177.584 -0.110 0.000 1.165 378 A CA 1.720 53.703 52.037 -0.090 0.000 0.645 378 A CB -0.657 18.253 19.000 -0.150 0.000 0.807 378 A HN 0.441 nan 8.150 nan 0.000 0.453 379 H N -1.100 117.977 119.070 0.012 0.000 2.343 379 H HA 0.104 4.659 4.556 -0.000 0.000 0.303 379 H C 0.654 176.004 175.328 0.037 0.000 1.068 379 H CA 0.730 56.791 56.048 0.022 0.000 1.359 379 H CB -0.068 29.718 29.762 0.040 0.000 1.402 379 H HN 0.236 nan 8.280 nan 0.000 0.515 380 V N 1.510 121.530 119.914 0.178 0.000 2.752 380 V HA -0.170 3.950 4.120 -0.000 0.000 0.306 380 V C 1.130 177.303 176.094 0.131 0.000 1.099 380 V CA 1.172 63.555 62.300 0.138 0.000 1.240 380 V CB 0.686 32.564 31.823 0.091 0.000 0.887 380 V HN 0.578 nan 8.190 nan 0.000 0.499 381 H N 2.958 122.041 119.070 0.022 0.000 2.269 381 H HA 0.324 4.880 4.556 -0.000 0.000 0.216 381 H C -0.283 174.960 175.328 -0.143 0.000 0.985 381 H CA -0.398 55.612 56.048 -0.062 0.000 1.274 381 H CB 0.626 30.399 29.762 0.018 0.000 1.283 381 H HN 0.532 nan 8.280 nan 0.000 0.491 382 Y N 0.572 120.874 120.300 0.005 0.000 2.487 382 Y HA 0.498 5.048 4.550 -0.000 0.000 0.337 382 Y C -0.601 175.285 175.900 -0.023 0.000 1.076 382 Y CA -0.777 57.274 58.100 -0.082 0.000 1.115 382 Y CB 2.108 40.438 38.460 -0.217 0.000 1.235 382 Y HN 0.146 nan 8.280 nan 0.000 0.468 383 I N 3.718 124.402 120.570 0.189 0.000 2.512 383 I HA 0.399 4.569 4.170 -0.000 0.000 0.287 383 I C -1.286 174.881 176.117 0.083 0.000 1.069 383 I CA -0.977 60.386 61.300 0.105 0.000 1.056 383 I CB 1.688 39.730 38.000 0.069 0.000 1.229 383 I HN 0.328 nan 8.210 nan 0.000 0.429 384 V N 1.946 121.890 119.914 0.050 0.000 2.715 384 V HA 0.827 4.947 4.120 -0.000 0.000 0.310 384 V C -0.362 175.748 176.094 0.027 0.000 1.054 384 V CA -0.088 62.221 62.300 0.015 0.000 0.928 384 V CB 1.890 33.714 31.823 0.002 0.000 1.007 384 V HN 0.711 nan 8.190 nan 0.000 0.437 385 T N 1.623 116.184 114.554 0.012 0.000 2.812 385 T HA 0.364 4.714 4.350 -0.000 0.000 0.294 385 T C 0.790 175.507 174.700 0.028 0.000 1.159 385 T CA 0.154 62.281 62.100 0.046 0.000 1.008 385 T CB 1.850 70.784 68.868 0.110 0.000 1.289 385 T HN 0.967 nan 8.240 nan 0.000 0.514 386 E N 0.321 120.492 120.200 -0.047 0.000 2.401 386 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 386 E C 0.132 176.580 176.600 -0.253 0.000 1.023 386 E CA 1.639 57.944 56.400 -0.157 0.000 0.859 386 E CB -0.204 29.277 29.700 -0.364 0.000 0.780 386 E HN 0.730 nan 8.360 nan 0.000 0.523 387 Y N 0.561 120.888 120.300 0.046 0.000 2.555 387 Y HA 0.422 4.972 4.550 -0.000 0.000 0.259 387 Y C 1.242 177.022 175.900 -0.200 0.000 1.179 387 Y CA 0.282 58.373 58.100 -0.015 0.000 1.230 387 Y CB 1.164 39.612 38.460 -0.021 0.000 1.146 387 Y HN 0.251 nan 8.280 nan 0.000 0.526 388 G N -0.010 108.495 108.800 -0.492 0.000 2.331 388 G HA2 0.373 4.333 3.960 -0.000 0.000 0.402 388 G HA3 0.373 4.333 3.960 -0.000 0.000 0.402 388 G C -1.552 173.128 174.900 -0.366 0.000 1.275 388 G CA -0.620 44.064 45.100 -0.693 0.000 1.003 388 G HN 0.382 nan 8.290 nan 0.000 0.500 389 A N -0.994 121.709 122.820 -0.196 0.000 2.380 389 A HA 1.094 5.414 4.320 -0.000 0.000 0.315 389 A C 0.141 177.763 177.584 0.062 0.000 1.101 389 A CA 0.497 52.518 52.037 -0.027 0.000 0.771 389 A CB 1.630 20.628 19.000 -0.004 0.000 1.287 389 A HN 2.554 nan 8.150 nan 0.000 0.436 390 A N 1.718 124.607 122.820 0.115 0.000 2.353 390 A HA 0.637 4.956 4.320 -0.000 0.000 0.299 390 A C -0.788 176.831 177.584 0.058 0.000 1.089 390 A CA -0.642 51.440 52.037 0.075 0.000 0.736 390 A CB 0.796 19.815 19.000 0.032 0.000 1.195 390 A HN 0.708 nan 8.150 nan 0.000 0.447 391 N N 2.784 121.463 118.700 -0.035 0.000 2.439 391 N HA 0.378 5.118 4.740 -0.000 0.000 0.249 391 N C 0.281 175.716 175.510 -0.126 0.000 1.003 391 N CA -0.358 52.544 53.050 -0.245 0.000 0.942 391 N CB 0.896 39.200 38.487 -0.305 0.000 1.115 391 N HN 0.627 nan 8.380 nan 0.000 0.505 392 L N 1.590 122.755 121.223 -0.098 0.000 2.590 392 L HA 0.227 4.567 4.340 -0.000 0.000 0.227 392 L C 0.982 177.810 176.870 -0.070 0.000 1.099 392 L CA -0.104 54.698 54.840 -0.064 0.000 0.872 392 L CB -0.053 41.982 42.059 -0.040 0.000 1.088 392 L HN 0.238 nan 8.230 nan 0.000 0.479 393 K N 1.952 122.302 120.400 -0.085 0.000 2.405 393 K HA 0.014 4.334 4.320 -0.000 0.000 0.276 393 K C 1.158 177.694 176.600 -0.106 0.000 1.099 393 K CA 1.058 57.270 56.287 -0.126 0.000 1.120 393 K CB 0.170 32.521 32.500 -0.248 0.000 0.877 393 K HN 0.365 nan 8.250 nan 0.000 0.472 394 G N 3.629 112.375 108.800 -0.090 0.000 2.189 394 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 394 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 394 G C 0.109 174.975 174.900 -0.057 0.000 0.975 394 G CA 0.140 45.197 45.100 -0.071 0.000 0.644 394 G HN 0.517 nan 8.290 nan 0.000 0.537 395 R N 1.113 121.577 120.500 -0.059 0.000 2.410 395 R HA 0.547 4.887 4.340 -0.000 0.000 0.288 395 R C 1.086 177.355 176.300 -0.051 0.000 1.051 395 R CA 0.298 56.367 56.100 -0.051 0.000 1.021 395 R CB 0.882 31.149 30.300 -0.054 0.000 1.032 395 R HN 0.588 nan 8.270 nan 0.000 0.481 396 S N 1.508 117.182 115.700 -0.043 0.000 2.626 396 S HA 0.140 4.609 4.470 -0.000 0.000 0.257 396 S C 1.748 176.311 174.600 -0.062 0.000 1.288 396 S CA -0.708 57.468 58.200 -0.041 0.000 0.980 396 S CB 0.438 63.623 63.200 -0.025 0.000 0.975 396 S HN 0.554 nan 8.310 nan 0.000 0.577 397 L N 0.711 121.894 121.223 -0.066 0.000 2.046 397 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 397 L C 2.993 179.791 176.870 -0.119 0.000 1.077 397 L CA 1.893 56.660 54.840 -0.122 0.000 0.747 397 L CB -0.744 41.250 42.059 -0.109 0.000 0.896 397 L HN 0.811 nan 8.230 nan 0.000 0.432 398 R N 0.411 120.878 120.500 -0.056 0.000 2.115 398 R HA -0.131 4.209 4.340 -0.000 0.000 0.226 398 R C 1.747 178.021 176.300 -0.043 0.000 1.100 398 R CA 1.215 57.294 56.100 -0.036 0.000 0.980 398 R CB -0.432 29.871 30.300 0.006 0.000 0.875 398 R HN 0.383 nan 8.270 nan 0.000 0.445 399 E N 0.880 121.054 120.200 -0.043 0.000 2.072 399 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 399 E C 2.185 178.753 176.600 -0.053 0.000 0.985 399 E CA 1.102 57.478 56.400 -0.039 0.000 0.801 399 E CB 0.017 29.696 29.700 -0.035 0.000 0.750 399 E HN 0.390 nan 8.360 nan 0.000 0.452 400 R N 0.711 121.165 120.500 -0.077 0.000 2.070 400 R HA -0.083 4.257 4.340 -0.000 0.000 0.233 400 R C 2.427 178.666 176.300 -0.101 0.000 1.137 400 R CA 1.273 57.319 56.100 -0.091 0.000 0.945 400 R CB -0.387 29.839 30.300 -0.123 0.000 0.845 400 R HN 0.095 nan 8.270 nan 0.000 0.430 401 A N 0.928 123.666 122.820 -0.136 0.000 1.908 401 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 401 A C 2.158 179.706 177.584 -0.061 0.000 1.181 401 A CA 1.666 53.625 52.037 -0.131 0.000 0.627 401 A CB -0.519 18.382 19.000 -0.165 0.000 0.818 401 A HN 0.260 nan 8.150 nan 0.000 0.445 402 Q N 0.013 119.787 119.800 -0.043 0.000 2.030 402 Q HA -0.082 4.258 4.340 -0.000 0.000 0.204 402 Q C 2.083 178.073 176.000 -0.017 0.000 0.986 402 Q CA 2.563 58.354 55.803 -0.020 0.000 0.843 402 Q CB -0.732 27.997 28.738 -0.015 0.000 0.904 402 Q HN 0.542 nan 8.270 nan 0.000 0.420 403 A N 0.122 122.929 122.820 -0.022 0.000 1.933 403 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 403 A C 2.197 179.777 177.584 -0.007 0.000 1.175 403 A CA 1.471 53.501 52.037 -0.012 0.000 0.628 403 A CB -0.783 18.208 19.000 -0.014 0.000 0.814 403 A HN 0.467 nan 8.150 nan 0.000 0.444 404 L N -0.064 121.149 121.223 -0.017 0.000 2.027 404 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 404 L C 2.579 179.454 176.870 0.008 0.000 1.074 404 L CA 1.685 56.521 54.840 -0.006 0.000 0.745 404 L CB -0.614 41.428 42.059 -0.027 0.000 0.898 404 L HN 0.677 nan 8.230 nan 0.000 0.433 405 I N -2.878 117.694 120.570 0.004 0.000 2.700 405 I HA -0.181 3.989 4.170 -0.000 0.000 0.261 405 I C 1.704 177.824 176.117 0.005 0.000 1.219 405 I CA 1.220 62.531 61.300 0.017 0.000 1.463 405 I CB -0.487 37.526 38.000 0.021 0.000 1.092 405 I HN 0.256 nan 8.210 nan 0.000 0.452 406 N N 2.043 120.743 118.700 0.000 0.000 2.457 406 N HA 0.037 4.777 4.740 -0.000 0.000 0.180 406 N C 1.743 177.254 175.510 0.001 0.000 1.050 406 N CA 1.475 54.521 53.050 -0.008 0.000 0.906 406 N CB 0.156 38.641 38.487 -0.003 0.000 0.968 406 N HN 0.727 nan 8.380 nan 0.000 0.445 407 I N -3.247 117.341 120.570 0.030 0.000 4.082 407 I HA 0.435 4.605 4.170 -0.000 0.000 0.337 407 I C 0.475 176.680 176.117 0.147 0.000 1.352 407 I CA -0.476 60.880 61.300 0.094 0.000 1.097 407 I CB 0.243 38.283 38.000 0.067 0.000 1.048 407 I HN -0.244 nan 8.210 nan 0.000 0.393 408 A N 1.510 124.372 122.820 0.071 0.000 2.351 408 A HA 0.217 4.537 4.320 -0.000 0.000 0.257 408 A C -0.019 177.590 177.584 0.041 0.000 1.087 408 A CA -0.267 51.839 52.037 0.115 0.000 0.798 408 A CB -0.044 19.016 19.000 0.100 0.000 1.033 408 A HN 0.482 nan 8.150 nan 0.000 0.488 409 H N 3.110 122.247 119.070 0.111 0.000 3.034 409 H HA 0.030 4.586 4.556 -0.000 0.000 0.324 409 H C -1.374 173.896 175.328 -0.098 0.000 1.015 409 H CA -0.807 55.230 56.048 -0.018 0.000 1.429 409 H CB 1.069 31.032 29.762 0.335 0.000 1.429 409 H HN 0.374 nan 8.280 nan 0.000 0.585 410 P HA -0.172 nan 4.420 nan 0.000 0.220 410 P C 0.616 177.900 177.300 -0.026 0.000 1.144 410 P CA 1.057 64.032 63.100 -0.208 0.000 0.800 410 P CB 0.406 31.905 31.700 -0.334 0.000 0.772 411 D N -1.323 119.160 120.400 0.139 0.000 2.371 411 D HA -0.030 4.610 4.640 -0.000 0.000 0.221 411 D C 1.038 177.036 176.300 -0.503 0.000 0.986 411 D CA 0.817 54.665 54.000 -0.252 0.000 0.899 411 D CB -0.427 40.056 40.800 -0.529 0.000 0.902 411 D HN 0.343 nan 8.370 nan 0.000 0.530 412 F N -0.984 119.013 119.950 0.078 0.000 2.746 412 F HA 0.267 4.794 4.527 -0.000 0.000 0.320 412 F C 1.929 177.746 175.800 0.029 0.000 1.097 412 F CA -0.596 57.430 58.000 0.043 0.000 1.195 412 F CB 0.358 39.384 39.000 0.043 0.000 1.056 412 F HN -0.313 nan 8.300 nan 0.000 0.562 413 R N 1.427 122.014 120.500 0.144 0.000 2.094 413 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 413 R C 2.326 178.670 176.300 0.074 0.000 1.137 413 R CA 2.040 58.188 56.100 0.079 0.000 0.943 413 R CB -0.692 29.615 30.300 0.012 0.000 0.850 413 R HN 0.437 nan 8.270 nan 0.000 0.433 414 E N 0.022 120.254 120.200 0.054 0.000 2.049 414 E HA -0.293 4.057 4.350 -0.000 0.000 0.198 414 E C 1.714 178.361 176.600 0.077 0.000 1.007 414 E CA 1.382 57.811 56.400 0.049 0.000 0.809 414 E CB -0.034 29.681 29.700 0.027 0.000 0.749 414 E HN 0.268 nan 8.360 nan 0.000 0.450 415 Q N 0.551 120.413 119.800 0.104 0.000 2.030 415 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 415 Q C 2.609 178.685 176.000 0.126 0.000 0.986 415 Q CA 1.345 57.221 55.803 0.122 0.000 0.843 415 Q CB -0.485 28.351 28.738 0.165 0.000 0.904 415 Q HN 0.431 nan 8.270 nan 0.000 0.420 416 L N 0.065 121.370 121.223 0.137 0.000 2.013 416 L HA -0.230 4.109 4.340 -0.000 0.000 0.212 416 L C 2.662 179.602 176.870 0.116 0.000 1.073 416 L CA 1.529 56.442 54.840 0.122 0.000 0.753 416 L CB -0.714 41.410 42.059 0.107 0.000 0.890 416 L HN 0.210 nan 8.230 nan 0.000 0.432 417 S N -0.416 115.342 115.700 0.097 0.000 2.370 417 S HA -0.218 4.252 4.470 -0.000 0.000 0.226 417 S C 2.114 176.789 174.600 0.124 0.000 1.033 417 S CA 1.361 59.616 58.200 0.091 0.000 1.011 417 S CB -0.089 63.148 63.200 0.062 0.000 0.852 417 S HN 0.289 nan 8.310 nan 0.000 0.457 418 R N 0.686 121.259 120.500 0.122 0.000 2.082 418 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 418 R C 1.881 178.291 176.300 0.183 0.000 1.136 418 R CA 1.876 58.063 56.100 0.145 0.000 0.935 418 R CB -0.423 29.946 30.300 0.114 0.000 0.842 418 R HN 0.440 nan 8.270 nan 0.000 0.430 419 D N 0.228 120.724 120.400 0.159 0.000 2.351 419 D HA -0.107 4.533 4.640 -0.000 0.000 0.216 419 D C 1.484 177.939 176.300 0.259 0.000 0.968 419 D CA 0.982 55.081 54.000 0.165 0.000 0.899 419 D CB -0.044 40.846 40.800 0.150 0.000 0.907 419 D HN 0.313 nan 8.370 nan 0.000 0.514 420 A N -0.014 122.962 122.820 0.261 0.000 1.969 420 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 420 A C 1.863 179.639 177.584 0.320 0.000 1.169 420 A CA 0.803 53.010 52.037 0.283 0.000 0.635 420 A CB -0.452 18.652 19.000 0.173 0.000 0.810 420 A HN 0.292 nan 8.150 nan 0.000 0.445 421 F N -0.259 119.771 119.950 0.133 0.000 2.500 421 F HA 0.242 4.769 4.527 -0.000 0.000 0.285 421 F C 1.878 177.727 175.800 0.083 0.000 1.088 421 F CA 0.916 58.977 58.000 0.101 0.000 1.432 421 F CB 0.100 39.139 39.000 0.065 0.000 1.131 421 F HN 0.224 nan 8.300 nan 0.000 0.582 422 E N -0.215 119.961 120.200 -0.040 0.000 2.208 422 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 422 E C 1.977 178.471 176.600 -0.176 0.000 0.988 422 E CA 1.222 57.523 56.400 -0.165 0.000 0.828 422 E CB 0.194 29.906 29.700 0.019 0.000 0.763 422 E HN 0.313 nan 8.360 nan 0.000 0.478 423 V N -1.241 118.610 119.914 -0.105 0.000 2.788 423 V HA -0.036 4.084 4.120 -0.000 0.000 0.241 423 V C 1.100 176.987 176.094 -0.345 0.000 1.083 423 V CA 0.737 62.898 62.300 -0.232 0.000 1.103 423 V CB -0.150 31.525 31.823 -0.247 0.000 0.800 423 V HN 0.326 nan 8.190 nan 0.000 0.476 424 W N 0.333 121.592 121.300 -0.068 0.000 3.114 424 W HA 0.500 5.160 4.660 -0.000 0.000 0.279 424 W C 1.769 178.242 176.519 -0.078 0.000 1.277 424 W CA 0.619 57.933 57.345 -0.051 0.000 1.630 424 W CB -0.066 29.387 29.460 -0.011 0.000 1.087 424 W HN 0.336 nan 8.180 nan 0.000 0.637 425 G N 1.409 110.212 108.800 0.005 0.000 2.221 425 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.265 425 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.265 425 G C -0.276 174.688 174.900 0.106 0.000 1.041 425 G CA -0.122 44.908 45.100 -0.117 0.000 0.807 425 G HN 0.180 nan 8.290 nan 0.000 0.502 426 L N 0.038 121.393 121.223 0.221 0.000 2.325 426 L HA 0.573 4.913 4.340 -0.000 0.000 0.278 426 L C 0.098 177.158 176.870 0.316 0.000 1.023 426 L CA -1.149 53.828 54.840 0.229 0.000 0.811 426 L CB 1.727 43.882 42.059 0.160 0.000 1.249 426 L HN 0.387 nan 8.230 nan 0.000 0.431 427 N N 2.868 121.700 118.700 0.220 0.000 2.479 427 N HA 0.540 5.280 4.740 -0.000 0.000 0.261 427 N C -0.853 174.697 175.510 0.067 0.000 0.979 427 N CA -0.699 52.437 53.050 0.144 0.000 0.930 427 N CB 1.060 39.602 38.487 0.093 0.000 1.172 427 N HN 0.428 nan 8.380 nan 0.000 0.499 428 L N 0.000 121.252 121.223 0.048 0.000 2.949 428 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 428 L CA 0.000 54.854 54.840 0.023 0.000 0.813 428 L CB 0.000 42.073 42.059 0.023 0.000 0.961 428 L HN 0.000 nan 8.230 nan 0.000 0.502