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 1ea9_1_C DATA FIRST_RESID 1 DATA SEQUENCE MFLEAVYHRP RKNFSYAYNG TTVHLRIRTK KDDMTAVYAL AGDKYMWDHT DATA SEQUENCE MEYVPMTKLA TDELFDYWEC EVTPPYRRVK YGFLLQQGHE KRWMTEYDFL DATA SEQUENCE TEPPANPDRL FEYPFINPVD VFQPPAWVKD AIFYQIFPER FANGDTRNDP DATA SEQUENCE EGTLPWGSAD PTPSCFFGGD LQGVIDHLDH LSKLGVNAVY FTPLFKATTN DATA SEQUENCE HKYDTEDYFQ IDPQFGDKDT LKKLVDLCHE RGIRVLLDAV FNHSGRTFPP DATA SEQUENCE FVDVLKNGEK SKYKDWFHIR SLPLEVVDGI PTYDTFAFEP LMPKLNTEHP DATA SEQUENCE DVKEYLLKAA EYWIRETGID GWRLDVANEV SHQFWREFRR VVKQANPDAY DATA SEQUENCE ILGEVWHESS IWLEGDQFDA VMNYPFTNAV LDFFIHQIAD AEKFSFMLGK DATA SEQUENCE QLAGYPRQAS EVMFNLLDSH DTARLLTQAD GDKRKMKLAV LFQFTYFGTP DATA SEQUENCE CIYYGDEVGL DGGHDPGCRK CMEWDETKHD KDLFAFYQTV IRLRQAHAAL DATA SEQUENCE RTGTFKFLTA EKNSRQIAYL REDDQDTILV VMNNDKAGHT LTLPVRHAQW DATA SEQUENCE THLWQDDVLT AAHGQLTVKL PAYGFAVLKA SSD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.371 176.300 0.119 0.000 1.140 1 M CA 0.000 55.339 55.300 0.065 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 2 F N 0.976 120.872 119.950 -0.089 0.000 2.387 2 F HA -0.296 4.231 4.527 -0.000 0.000 0.152 2 F C 0.787 176.525 175.800 -0.103 0.000 1.088 2 F CA 0.812 58.762 58.000 -0.084 0.000 0.774 2 F CB -1.245 37.709 39.000 -0.077 0.000 0.605 2 F HN 0.475 nan 8.300 nan 0.000 0.814 3 L N -0.268 120.917 121.223 -0.063 0.000 2.042 3 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 3 L C 1.848 178.676 176.870 -0.071 0.000 1.076 3 L CA 1.668 56.385 54.840 -0.205 0.000 0.749 3 L CB -0.914 40.974 42.059 -0.286 0.000 0.893 3 L HN 0.158 nan 8.230 nan 0.000 0.432 4 E N 0.237 120.454 120.200 0.028 0.000 2.461 4 E HA 0.097 4.447 4.350 -0.000 0.000 0.196 4 E C 1.712 178.416 176.600 0.173 0.000 1.129 4 E CA 0.698 57.166 56.400 0.114 0.000 0.902 4 E CB -0.388 29.363 29.700 0.084 0.000 0.963 4 E HN 0.514 nan 8.360 nan 0.000 0.503 5 A N -0.298 122.635 122.820 0.187 0.000 2.013 5 A HA 0.146 4.466 4.320 -0.000 0.000 0.204 5 A C 1.025 178.868 177.584 0.431 0.000 1.262 5 A CA -0.215 51.987 52.037 0.275 0.000 0.800 5 A CB 0.274 19.355 19.000 0.136 0.000 0.909 5 A HN 0.117 nan 8.150 nan 0.000 0.472 6 V N -0.175 119.930 119.914 0.319 0.000 3.032 6 V HA 0.163 4.283 4.120 -0.000 0.000 0.307 6 V C -0.105 176.178 176.094 0.315 0.000 1.097 6 V CA 0.901 63.389 62.300 0.314 0.000 1.191 6 V CB 0.087 32.069 31.823 0.265 0.000 0.964 6 V HN 0.462 nan 8.190 nan 0.000 0.494 7 Y N 2.464 122.786 120.300 0.037 0.000 2.558 7 Y HA 0.615 5.165 4.550 -0.000 0.000 0.333 7 Y C -0.828 174.879 175.900 -0.321 0.000 1.125 7 Y CA -0.957 57.063 58.100 -0.132 0.000 1.039 7 Y CB 1.999 40.294 38.460 -0.274 0.000 1.331 7 Y HN 0.810 nan 8.280 nan 0.000 0.456 8 H N 3.646 122.102 119.070 -1.023 0.000 3.235 8 H HA 0.498 5.054 4.556 -0.000 0.000 0.324 8 H C -1.877 173.056 175.328 -0.659 0.000 1.059 8 H CA -0.640 54.954 56.048 -0.757 0.000 1.497 8 H CB 0.919 30.396 29.762 -0.475 0.000 1.986 8 H HN 0.740 nan 8.280 nan 0.000 0.444 9 R N 5.240 125.293 120.500 -0.746 0.000 2.534 9 R HA 0.518 4.858 4.340 -0.000 0.000 0.301 9 R C -2.925 173.258 176.300 -0.194 0.000 0.961 9 R CA -2.164 53.761 56.100 -0.290 0.000 0.871 9 R CB 1.431 31.809 30.300 0.130 0.000 1.170 9 R HN 0.392 nan 8.270 nan 0.000 0.446 10 P HA 0.092 nan 4.420 nan 0.000 0.265 10 P C -0.761 176.542 177.300 0.005 0.000 1.193 10 P CA 0.183 63.260 63.100 -0.038 0.000 0.765 10 P CB 0.640 32.357 31.700 0.029 0.000 0.823 11 R N 1.334 121.832 120.500 -0.004 0.000 4.144 11 R HA -0.162 4.178 4.340 -0.000 0.000 0.299 11 R C 1.012 177.380 176.300 0.113 0.000 0.241 11 R CA 0.636 56.757 56.100 0.034 0.000 1.010 11 R CB -1.785 28.521 30.300 0.010 0.000 1.134 11 R HN 0.661 nan 8.270 nan 0.000 0.493 12 K N -0.632 119.812 120.400 0.074 0.000 1.692 12 K HA -0.310 4.010 4.320 -0.000 0.000 0.132 12 K C 1.049 177.639 176.600 -0.016 0.000 1.028 12 K CA 2.142 58.451 56.287 0.037 0.000 0.304 12 K CB -1.352 31.196 32.500 0.081 0.000 0.686 12 K HN 0.899 nan 8.250 nan 0.000 0.815 13 N N 0.782 119.446 118.700 -0.061 0.000 2.250 13 N HA 0.018 4.758 4.740 -0.000 0.000 0.190 13 N C 1.079 176.578 175.510 -0.017 0.000 1.116 13 N CA 0.635 53.571 53.050 -0.190 0.000 0.881 13 N CB 0.196 38.484 38.487 -0.332 0.000 1.006 13 N HN 0.252 nan 8.380 nan 0.000 0.491 14 F N 1.260 121.327 119.950 0.195 0.000 2.731 14 F HA 0.357 4.884 4.527 -0.000 0.000 0.304 14 F C 0.512 176.406 175.800 0.156 0.000 1.133 14 F CA -0.198 57.898 58.000 0.160 0.000 1.380 14 F CB 0.046 39.038 39.000 -0.014 0.000 1.079 14 F HN -0.058 nan 8.300 nan 0.000 0.550 15 S N 0.213 116.161 115.700 0.413 0.000 2.400 15 S HA 0.368 4.838 4.470 -0.000 0.000 0.329 15 S C -1.483 173.246 174.600 0.214 0.000 0.795 15 S CA -0.645 57.703 58.200 0.246 0.000 0.823 15 S CB -0.796 62.489 63.200 0.141 0.000 1.155 15 S HN 0.292 nan 8.310 nan 0.000 0.473 16 Y N 1.070 121.447 120.300 0.129 0.000 2.641 16 Y HA 0.828 5.378 4.550 -0.000 0.000 0.333 16 Y C -0.676 175.437 175.900 0.355 0.000 1.174 16 Y CA -0.885 57.337 58.100 0.203 0.000 1.057 16 Y CB 0.642 39.206 38.460 0.173 0.000 1.322 16 Y HN 0.732 nan 8.280 nan 0.000 0.457 17 A N 1.560 124.661 122.820 0.469 0.000 2.289 17 A HA 0.428 4.748 4.320 -0.000 0.000 0.298 17 A C -0.651 177.078 177.584 0.243 0.000 1.208 17 A CA -0.472 51.679 52.037 0.190 0.000 0.845 17 A CB 0.116 19.193 19.000 0.129 0.000 1.125 17 A HN 0.936 nan 8.150 nan 0.000 0.517 18 Y N 2.967 123.194 120.300 -0.123 0.000 2.314 18 Y HA 0.017 4.567 4.550 -0.000 0.000 0.294 18 Y C 1.021 176.949 175.900 0.045 0.000 1.119 18 Y CA 1.577 59.694 58.100 0.028 0.000 1.179 18 Y CB 0.128 38.550 38.460 -0.063 0.000 1.025 18 Y HN 0.897 nan 8.280 nan 0.000 0.541 19 N N -2.475 116.256 118.700 0.051 0.000 3.343 19 N HA 0.350 5.090 4.740 -0.000 0.000 0.330 19 N C 0.061 175.570 175.510 -0.002 0.000 1.560 19 N CA -0.538 52.513 53.050 0.000 0.000 0.752 19 N CB 0.787 39.287 38.487 0.022 0.000 1.863 19 N HN -0.093 nan 8.380 nan 0.000 0.636 20 G N -1.294 107.505 108.800 -0.002 0.000 3.943 20 G HA2 0.360 4.320 3.960 -0.000 0.000 0.275 20 G HA3 0.360 4.320 3.960 -0.000 0.000 0.275 20 G C 0.143 175.021 174.900 -0.037 0.000 1.234 20 G CA 0.222 45.319 45.100 -0.006 0.000 1.522 20 G HN 0.667 nan 8.290 nan 0.000 0.636 21 T N -1.447 113.060 114.554 -0.078 0.000 3.470 21 T HA 0.027 4.377 4.350 -0.000 0.000 0.279 21 T C 0.553 175.176 174.700 -0.129 0.000 0.871 21 T CA 0.591 62.628 62.100 -0.105 0.000 0.841 21 T CB -0.228 68.606 68.868 -0.058 0.000 1.175 21 T HN 0.209 nan 8.240 nan 0.000 0.765 22 T N 2.065 116.557 114.554 -0.105 0.000 2.902 22 T HA 0.777 5.127 4.350 -0.000 0.000 0.283 22 T C -0.783 173.779 174.700 -0.230 0.000 1.009 22 T CA -0.443 61.581 62.100 -0.127 0.000 1.051 22 T CB 1.963 70.799 68.868 -0.054 0.000 0.999 22 T HN 0.194 nan 8.240 nan 0.000 0.474 23 V N 2.295 122.035 119.914 -0.289 0.000 3.049 23 V HA 0.424 4.544 4.120 -0.000 0.000 0.309 23 V C -1.137 174.708 176.094 -0.414 0.000 1.148 23 V CA -1.083 60.990 62.300 -0.378 0.000 0.990 23 V CB 2.290 34.000 31.823 -0.189 0.000 1.039 23 V HN 0.860 nan 8.190 nan 0.000 0.430 24 H N 3.820 122.668 119.070 -0.370 0.000 2.492 24 H HA 0.673 5.229 4.556 -0.000 0.000 0.345 24 H C -1.192 173.989 175.328 -0.244 0.000 1.136 24 H CA -0.949 54.872 56.048 -0.379 0.000 1.202 24 H CB 2.007 31.418 29.762 -0.585 0.000 1.524 24 H HN 0.225 nan 8.280 nan 0.000 0.506 25 L N 3.364 124.657 121.223 0.117 0.000 2.376 25 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 25 L C 0.166 177.237 176.870 0.334 0.000 0.987 25 L CA -0.647 54.353 54.840 0.267 0.000 0.828 25 L CB 1.392 43.620 42.059 0.282 0.000 1.249 25 L HN 0.439 nan 8.230 nan 0.000 0.409 26 R N 3.875 124.644 120.500 0.448 0.000 2.668 26 R HA 0.734 5.074 4.340 -0.000 0.000 0.279 26 R C -0.812 175.817 176.300 0.548 0.000 0.976 26 R CA -0.843 55.529 56.100 0.454 0.000 0.978 26 R CB 2.809 33.316 30.300 0.344 0.000 1.133 26 R HN 0.366 nan 8.270 nan 0.000 0.484 27 I N 1.998 122.857 120.570 0.481 0.000 2.722 27 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 27 I C -0.345 176.080 176.117 0.513 0.000 1.267 27 I CA -0.670 60.805 61.300 0.292 0.000 1.036 27 I CB 2.426 40.263 38.000 -0.271 0.000 1.281 27 I HN 0.620 nan 8.210 nan 0.000 0.423 28 R N 3.735 124.447 120.500 0.353 0.000 2.664 28 R HA 0.937 5.277 4.340 -0.000 0.000 0.286 28 R C -0.790 175.734 176.300 0.373 0.000 0.967 28 R CA -0.355 55.845 56.100 0.166 0.000 0.933 28 R CB 2.332 32.487 30.300 -0.242 0.000 1.146 28 R HN 0.677 nan 8.270 nan 0.000 0.468 29 T N -1.630 113.223 114.554 0.498 0.000 2.711 29 T HA 0.270 4.620 4.350 -0.000 0.000 0.302 29 T C -0.983 173.790 174.700 0.122 0.000 1.373 29 T CA -1.199 61.161 62.100 0.433 0.000 1.000 29 T CB 1.042 70.171 68.868 0.435 0.000 1.483 29 T HN 0.667 nan 8.240 nan 0.000 0.499 30 K N 1.177 121.504 120.400 -0.121 0.000 2.448 30 K HA 0.120 4.440 4.320 -0.000 0.000 0.278 30 K C 1.217 177.661 176.600 -0.261 0.000 1.009 30 K CA -0.172 55.892 56.287 -0.373 0.000 0.995 30 K CB 0.402 32.648 32.500 -0.424 0.000 0.917 30 K HN 0.692 nan 8.250 nan 0.000 0.481 31 K N 2.007 122.217 120.400 -0.316 0.000 2.209 31 K HA -0.268 4.052 4.320 -0.000 0.000 0.220 31 K C 0.285 176.802 176.600 -0.137 0.000 1.002 31 K CA 2.432 58.588 56.287 -0.218 0.000 0.947 31 K CB -0.142 32.232 32.500 -0.211 0.000 0.891 31 K HN 0.691 nan 8.250 nan 0.000 0.476 32 D N -1.022 119.296 120.400 -0.137 0.000 2.651 32 D HA 0.017 4.657 4.640 -0.000 0.000 0.280 32 D C -0.813 175.449 176.300 -0.062 0.000 1.496 32 D CA 0.031 53.991 54.000 -0.066 0.000 0.792 32 D CB 0.447 41.211 40.800 -0.059 0.000 1.144 32 D HN 0.143 nan 8.370 nan 0.000 0.470 33 D N 0.991 121.324 120.400 -0.112 0.000 3.110 33 D HA 0.122 4.762 4.640 -0.000 0.000 0.254 33 D C -0.302 176.015 176.300 0.028 0.000 1.283 33 D CA 0.121 54.055 54.000 -0.109 0.000 0.944 33 D CB 0.054 40.652 40.800 -0.336 0.000 1.066 33 D HN -0.178 nan 8.370 nan 0.000 0.496 34 M N 0.954 120.610 119.600 0.092 0.000 2.488 34 M HA 0.046 4.526 4.480 -0.000 0.000 0.174 34 M C 0.802 177.188 176.300 0.144 0.000 0.963 34 M CA -0.282 55.099 55.300 0.135 0.000 0.900 34 M CB 0.770 33.556 32.600 0.310 0.000 2.927 34 M HN -0.081 nan 8.290 nan 0.000 0.394 35 T N 1.256 115.853 114.554 0.072 0.000 2.607 35 T HA 0.062 4.412 4.350 -0.000 0.000 0.267 35 T C 0.833 175.581 174.700 0.080 0.000 1.049 35 T CA 1.995 64.135 62.100 0.067 0.000 1.162 35 T CB 0.233 69.121 68.868 0.033 0.000 0.863 35 T HN 0.774 nan 8.240 nan 0.000 0.424 36 A N -0.336 122.497 122.820 0.021 0.000 2.581 36 A HA 0.680 5.000 4.320 -0.000 0.000 0.290 36 A C -1.734 175.718 177.584 -0.219 0.000 1.119 36 A CA -0.595 51.406 52.037 -0.060 0.000 0.670 36 A CB 1.479 20.462 19.000 -0.029 0.000 1.280 36 A HN 0.751 nan 8.150 nan 0.000 0.425 37 V N -2.319 117.355 119.914 -0.399 0.000 2.697 37 V HA 0.686 4.806 4.120 -0.000 0.000 0.296 37 V C -1.743 174.231 176.094 -0.199 0.000 1.140 37 V CA -0.772 61.319 62.300 -0.348 0.000 0.921 37 V CB 0.374 31.670 31.823 -0.878 0.000 1.036 37 V HN 0.872 nan 8.190 nan 0.000 0.438 38 Y N 2.753 123.114 120.300 0.103 0.000 2.419 38 Y HA 0.850 5.400 4.550 -0.000 0.000 0.328 38 Y C 0.785 176.840 175.900 0.258 0.000 1.162 38 Y CA -0.300 57.939 58.100 0.233 0.000 1.174 38 Y CB 2.093 40.828 38.460 0.458 0.000 1.228 38 Y HN 1.022 nan 8.280 nan 0.000 0.473 39 A N 3.826 126.857 122.820 0.351 0.000 2.252 39 A HA 0.466 4.786 4.320 -0.000 0.000 0.309 39 A C -1.015 176.572 177.584 0.006 0.000 1.285 39 A CA -0.608 51.576 52.037 0.245 0.000 0.900 39 A CB 0.102 19.236 19.000 0.224 0.000 1.157 39 A HN 0.714 nan 8.150 nan 0.000 0.536 40 L N 3.656 124.783 121.223 -0.160 0.000 2.272 40 L HA 0.679 5.019 4.340 -0.000 0.000 0.284 40 L C -0.013 176.837 176.870 -0.033 0.000 1.045 40 L CA 0.236 54.829 54.840 -0.412 0.000 0.842 40 L CB 0.357 42.025 42.059 -0.651 0.000 1.224 40 L HN 0.838 nan 8.230 nan 0.000 0.430 41 A N 3.455 126.293 122.820 0.030 0.000 2.486 41 A HA 1.028 5.348 4.320 -0.000 0.000 0.277 41 A C -0.070 177.688 177.584 0.290 0.000 1.282 41 A CA 0.070 52.256 52.037 0.248 0.000 0.784 41 A CB 1.695 20.737 19.000 0.070 0.000 1.350 41 A HN 0.943 nan 8.150 nan 0.000 0.454 42 G N -0.930 108.104 108.800 0.389 0.000 2.398 42 G HA2 0.405 4.365 3.960 -0.000 0.000 0.251 42 G HA3 0.405 4.365 3.960 -0.000 0.000 0.251 42 G C -2.000 173.117 174.900 0.361 0.000 1.277 42 G CA -0.187 45.141 45.100 0.379 0.000 0.927 42 G HN 0.782 nan 8.290 nan 0.000 0.477 43 D N 0.071 120.705 120.400 0.391 0.000 2.168 43 D HA 0.505 5.145 4.640 -0.000 0.000 0.246 43 D C 1.297 177.669 176.300 0.120 0.000 1.050 43 D CA -0.475 53.669 54.000 0.238 0.000 0.857 43 D CB 1.625 42.618 40.800 0.323 0.000 1.169 43 D HN 0.572 nan 8.370 nan 0.000 0.453 44 K N 1.353 121.630 120.400 -0.204 0.000 2.555 44 K HA -0.069 4.251 4.320 -0.000 0.000 0.193 44 K C 0.159 176.477 176.600 -0.470 0.000 1.032 44 K CA 1.187 57.197 56.287 -0.462 0.000 1.004 44 K CB 0.041 32.203 32.500 -0.564 0.000 0.804 44 K HN 0.362 nan 8.250 nan 0.000 0.496 45 Y N 1.382 121.726 120.300 0.073 0.000 2.435 45 Y HA 0.228 4.778 4.550 -0.000 0.000 0.251 45 Y C 1.370 177.352 175.900 0.136 0.000 1.077 45 Y CA -0.289 57.854 58.100 0.072 0.000 1.243 45 Y CB -0.261 38.230 38.460 0.051 0.000 1.107 45 Y HN 0.002 nan 8.280 nan 0.000 0.496 46 M N 0.314 120.122 119.600 0.347 0.000 3.237 46 M HA 0.083 4.563 4.480 -0.000 0.000 0.266 46 M C 0.612 177.130 176.300 0.363 0.000 1.456 46 M CA 0.092 55.565 55.300 0.289 0.000 1.593 46 M CB -0.191 32.532 32.600 0.205 0.000 1.129 46 M HN 0.601 nan 8.290 nan 0.000 0.547 47 W N 4.209 125.558 121.300 0.082 0.000 2.329 47 W HA -0.185 4.475 4.660 0.000 0.000 0.324 47 W C 0.465 177.014 176.519 0.050 0.000 1.222 47 W CA 1.080 58.447 57.345 0.036 0.000 1.270 47 W CB 0.005 29.459 29.460 -0.011 0.000 1.167 47 W HN 0.642 nan 8.180 nan 0.000 0.467 48 D N 0.001 120.463 120.400 0.104 0.000 2.736 48 D HA -0.082 4.558 4.640 -0.000 0.000 0.228 48 D C 0.361 176.657 176.300 -0.007 0.000 1.077 48 D CA 0.929 54.882 54.000 -0.078 0.000 1.096 48 D CB -0.653 40.139 40.800 -0.014 0.000 1.138 48 D HN 0.408 nan 8.370 nan 0.000 0.461 49 H N -0.810 118.207 119.070 -0.089 0.000 2.358 49 H HA -0.072 4.484 4.556 -0.000 0.000 0.165 49 H C 0.667 175.975 175.328 -0.033 0.000 1.039 49 H CA 0.817 56.845 56.048 -0.034 0.000 0.690 49 H CB 0.369 30.152 29.762 0.036 0.000 1.125 49 H HN 0.409 nan 8.280 nan 0.000 0.480 50 T N -1.906 112.670 114.554 0.038 0.000 3.130 50 T HA 0.337 4.687 4.350 -0.000 0.000 0.288 50 T C 0.580 175.204 174.700 -0.126 0.000 0.936 50 T CA -0.301 61.807 62.100 0.013 0.000 0.897 50 T CB 0.346 69.294 68.868 0.134 0.000 1.178 50 T HN -0.061 nan 8.240 nan 0.000 0.543 51 M N 3.054 122.443 119.600 -0.352 0.000 2.200 51 M HA 0.422 4.902 4.480 -0.000 0.000 0.355 51 M C -0.230 175.920 176.300 -0.249 0.000 1.283 51 M CA 0.081 55.072 55.300 -0.514 0.000 1.124 51 M CB 0.491 32.520 32.600 -0.952 0.000 1.625 51 M HN 0.401 nan 8.290 nan 0.000 0.463 52 E N 2.784 122.888 120.200 -0.160 0.000 2.317 52 E HA 0.277 4.627 4.350 -0.000 0.000 0.270 52 E C -1.754 174.862 176.600 0.026 0.000 0.899 52 E CA -0.809 55.573 56.400 -0.030 0.000 0.814 52 E CB 0.810 30.501 29.700 -0.015 0.000 1.296 52 E HN 0.475 nan 8.360 nan 0.000 0.404 53 Y N 2.091 122.387 120.300 -0.007 0.000 2.632 53 Y HA 0.114 4.664 4.550 0.000 0.000 0.329 53 Y C 0.160 176.156 175.900 0.160 0.000 1.174 53 Y CA 0.117 58.272 58.100 0.092 0.000 1.469 53 Y CB 0.895 39.394 38.460 0.064 0.000 1.242 53 Y HN 0.388 nan 8.280 nan 0.000 0.540 54 V N 7.405 127.478 119.914 0.264 0.000 2.328 54 V HA 0.236 4.356 4.120 -0.000 0.000 0.278 54 V C -2.236 173.986 176.094 0.214 0.000 1.021 54 V CA -2.484 59.936 62.300 0.201 0.000 0.838 54 V CB 1.262 33.151 31.823 0.111 0.000 0.999 54 V HN 0.582 nan 8.190 nan 0.000 0.447 55 P HA 0.080 nan 4.420 nan 0.000 0.257 55 P C 0.181 177.452 177.300 -0.049 0.000 1.227 55 P CA 0.438 63.472 63.100 -0.109 0.000 0.981 55 P CB 0.022 31.679 31.700 -0.072 0.000 1.044 56 M N 2.246 121.820 119.600 -0.045 0.000 2.239 56 M HA 0.106 4.586 4.480 -0.000 0.000 0.348 56 M C 0.559 176.995 176.300 0.226 0.000 1.239 56 M CA 1.049 56.411 55.300 0.105 0.000 1.114 56 M CB 0.253 32.900 32.600 0.078 0.000 1.641 56 M HN 0.210 nan 8.290 nan 0.000 0.453 57 T N 1.919 116.681 114.554 0.345 0.000 2.932 57 T HA 0.312 4.662 4.350 -0.000 0.000 0.289 57 T C -0.337 174.529 174.700 0.278 0.000 1.039 57 T CA -0.933 61.366 62.100 0.331 0.000 1.024 57 T CB 1.732 70.682 68.868 0.136 0.000 1.090 57 T HN 0.505 nan 8.240 nan 0.000 0.496 58 K N 2.012 122.437 120.400 0.042 0.000 2.378 58 K HA 0.172 4.492 4.320 -0.000 0.000 0.288 58 K C 0.749 177.275 176.600 -0.124 0.000 1.057 58 K CA -0.327 55.767 56.287 -0.322 0.000 0.971 58 K CB -0.003 32.344 32.500 -0.254 0.000 0.975 58 K HN 0.429 nan 8.250 nan 0.000 0.475 59 L N 2.427 123.583 121.223 -0.112 0.000 2.470 59 L HA 0.535 4.875 4.340 -0.000 0.000 0.219 59 L C 0.189 177.081 176.870 0.038 0.000 1.071 59 L CA 0.291 55.127 54.840 -0.008 0.000 0.850 59 L CB -0.179 41.880 42.059 0.001 0.000 1.040 59 L HN 0.468 nan 8.230 nan 0.000 0.475 60 A N -1.306 121.534 122.820 0.033 0.000 2.612 60 A HA 0.796 5.116 4.320 -0.000 0.000 0.293 60 A C -0.860 176.837 177.584 0.187 0.000 1.075 60 A CA -0.213 51.892 52.037 0.113 0.000 0.680 60 A CB 1.049 20.087 19.000 0.064 0.000 1.279 60 A HN -0.010 nan 8.150 nan 0.000 0.411 61 T N 2.317 116.983 114.554 0.187 0.000 3.187 61 T HA 0.436 4.786 4.350 -0.000 0.000 0.328 61 T C -0.593 174.193 174.700 0.143 0.000 0.951 61 T CA -0.408 61.779 62.100 0.145 0.000 1.049 61 T CB 0.669 69.569 68.868 0.053 0.000 1.015 61 T HN 0.897 nan 8.240 nan 0.000 0.461 62 D N 2.121 122.581 120.400 0.101 0.000 2.315 62 D HA 0.180 4.820 4.640 -0.000 0.000 0.275 62 D C 1.311 176.949 176.300 -1.104 0.000 1.218 62 D CA -0.212 53.665 54.000 -0.204 0.000 1.040 62 D CB 0.452 41.272 40.800 0.033 0.000 1.123 62 D HN 0.423 nan 8.370 nan 0.000 0.541 63 E N -1.289 118.194 120.200 -1.196 0.000 2.007 63 E HA -0.150 4.200 4.350 -0.000 0.000 0.203 63 E C 1.165 177.346 176.600 -0.697 0.000 1.020 63 E CA 1.485 57.126 56.400 -1.265 0.000 0.845 63 E CB -0.333 29.071 29.700 -0.493 0.000 0.779 63 E HN 0.427 nan 8.360 nan 0.000 0.466 64 L N -1.704 119.273 121.223 -0.409 0.000 3.108 64 L HA 0.482 4.822 4.340 -0.000 0.000 0.251 64 L C -0.763 175.723 176.870 -0.640 0.000 1.315 64 L CA -0.029 54.543 54.840 -0.446 0.000 1.048 64 L CB -0.130 41.673 42.059 -0.427 0.000 1.432 64 L HN -0.112 nan 8.230 nan 0.000 0.543 65 F N -1.149 118.624 119.950 -0.295 0.000 2.641 65 F HA 0.615 5.142 4.527 0.000 0.000 0.308 65 F C -0.521 174.981 175.800 -0.497 0.000 1.105 65 F CA -0.795 56.970 58.000 -0.391 0.000 0.964 65 F CB 2.027 40.728 39.000 -0.499 0.000 1.294 65 F HN -0.119 nan 8.300 nan 0.000 0.442 66 D N 1.556 121.770 120.400 -0.310 0.000 2.375 66 D HA 0.411 5.051 4.640 -0.000 0.000 0.247 66 D C -1.295 174.513 176.300 -0.821 0.000 1.061 66 D CA -0.066 53.584 54.000 -0.583 0.000 0.834 66 D CB 1.299 41.721 40.800 -0.630 0.000 1.247 66 D HN 0.225 nan 8.370 nan 0.000 0.489 67 Y N 0.531 120.517 120.300 -0.524 0.000 2.509 67 Y HA 0.549 5.099 4.550 -0.000 0.000 0.341 67 Y C -0.073 175.568 175.900 -0.432 0.000 1.038 67 Y CA -0.848 57.109 58.100 -0.238 0.000 1.089 67 Y CB 1.995 40.402 38.460 -0.088 0.000 1.241 67 Y HN 0.204 nan 8.280 nan 0.000 0.468 68 W N 2.175 123.600 121.300 0.209 0.000 2.839 68 W HA 0.319 4.979 4.660 -0.000 0.000 0.334 68 W C -0.121 176.457 176.519 0.099 0.000 1.064 68 W CA -0.877 56.537 57.345 0.114 0.000 1.236 68 W CB 2.204 31.695 29.460 0.053 0.000 1.405 68 W HN 0.637 nan 8.180 nan 0.000 0.478 69 E N 1.032 121.390 120.200 0.263 0.000 2.855 69 E HA 0.393 4.743 4.350 -0.000 0.000 0.259 69 E C -0.847 175.856 176.600 0.171 0.000 1.390 69 E CA 0.231 56.717 56.400 0.143 0.000 1.069 69 E CB 1.726 31.457 29.700 0.051 0.000 1.172 69 E HN 0.455 nan 8.360 nan 0.000 0.668 70 C N 1.701 121.065 119.300 0.105 0.000 3.161 70 C HA 0.062 4.522 4.460 -0.000 0.000 0.374 70 C C -1.319 173.731 174.990 0.101 0.000 1.030 70 C CA -0.467 58.618 59.018 0.112 0.000 1.375 70 C CB -0.504 27.330 27.740 0.156 0.000 1.737 70 C HN 0.877 nan 8.230 nan 0.000 0.474 71 E N 4.109 124.357 120.200 0.080 0.000 2.089 71 E HA 0.576 4.926 4.350 -0.000 0.000 0.284 71 E C -0.815 175.804 176.600 0.031 0.000 1.023 71 E CA -0.241 56.214 56.400 0.092 0.000 0.819 71 E CB 1.337 31.077 29.700 0.068 0.000 1.076 71 E HN 0.674 nan 8.360 nan 0.000 0.396 72 V N 4.497 124.402 119.914 -0.015 0.000 2.495 72 V HA 0.457 4.577 4.120 -0.000 0.000 0.298 72 V C -0.528 175.508 176.094 -0.096 0.000 1.031 72 V CA -0.266 61.998 62.300 -0.061 0.000 0.871 72 V CB 2.080 33.844 31.823 -0.098 0.000 0.988 72 V HN 0.807 nan 8.190 nan 0.000 0.432 73 T N 4.355 118.856 114.554 -0.088 0.000 3.250 73 T HA 0.507 4.857 4.350 -0.000 0.000 0.391 73 T C -2.687 171.934 174.700 -0.132 0.000 1.502 73 T CA -1.825 60.211 62.100 -0.107 0.000 1.320 73 T CB 0.695 69.518 68.868 -0.076 0.000 1.102 73 T HN 0.518 nan 8.240 nan 0.000 0.610 74 P HA 0.089 nan 4.420 nan 0.000 0.256 74 P C -1.713 175.461 177.300 -0.210 0.000 1.173 74 P CA -0.826 62.175 63.100 -0.166 0.000 0.768 74 P CB 0.275 31.860 31.700 -0.192 0.000 0.758 75 P HA -0.185 nan 4.420 nan 0.000 0.218 75 P C -0.169 176.743 177.300 -0.646 0.000 1.152 75 P CA 1.742 64.529 63.100 -0.522 0.000 0.857 75 P CB -0.131 31.157 31.700 -0.687 0.000 0.787 76 Y N -2.000 118.256 120.300 -0.072 0.000 2.480 76 Y HA 0.360 4.910 4.550 -0.000 0.000 0.356 76 Y C 0.303 176.027 175.900 -0.294 0.000 0.922 76 Y CA -1.192 56.850 58.100 -0.096 0.000 1.146 76 Y CB -0.538 37.920 38.460 -0.003 0.000 1.185 76 Y HN -0.233 nan 8.280 nan 0.000 0.624 77 R N 0.287 120.614 120.500 -0.288 0.000 3.424 77 R HA -0.263 4.077 4.340 -0.000 0.000 0.247 77 R C -0.544 175.216 176.300 -0.901 0.000 1.000 77 R CA 0.987 56.704 56.100 -0.637 0.000 0.672 77 R CB -1.849 27.938 30.300 -0.855 0.000 1.042 77 R HN 0.705 nan 8.270 nan 0.000 0.470 78 R N -2.645 117.591 120.500 -0.442 0.000 2.604 78 R HA 0.689 5.029 4.340 -0.000 0.000 0.261 78 R C -1.648 174.595 176.300 -0.096 0.000 1.080 78 R CA -1.024 54.915 56.100 -0.268 0.000 0.917 78 R CB 1.628 31.847 30.300 -0.134 0.000 1.252 78 R HN 0.035 nan 8.270 nan 0.000 0.456 79 V N 1.653 121.554 119.914 -0.021 0.000 2.777 79 V HA 0.605 4.725 4.120 -0.000 0.000 0.306 79 V C -1.527 174.674 176.094 0.178 0.000 1.112 79 V CA -0.643 61.688 62.300 0.053 0.000 0.917 79 V CB 2.284 34.093 31.823 -0.024 0.000 1.018 79 V HN 0.890 nan 8.190 nan 0.000 0.426 80 K N 5.461 125.944 120.400 0.138 0.000 2.270 80 K HA 0.813 5.133 4.320 -0.000 0.000 0.255 80 K C -1.553 175.155 176.600 0.180 0.000 0.936 80 K CA -0.475 55.850 56.287 0.064 0.000 0.809 80 K CB 1.751 34.068 32.500 -0.305 0.000 1.131 80 K HN 0.845 nan 8.250 nan 0.000 0.427 81 Y N -0.245 119.978 120.300 -0.129 0.000 2.764 81 Y HA 0.755 5.305 4.550 -0.000 0.000 0.331 81 Y C -0.386 175.421 175.900 -0.155 0.000 1.280 81 Y CA -1.000 57.030 58.100 -0.116 0.000 1.065 81 Y CB 0.626 38.997 38.460 -0.149 0.000 1.319 81 Y HN 0.584 nan 8.280 nan 0.000 0.453 82 G N -0.230 108.410 108.800 -0.268 0.000 3.107 82 G HA2 0.709 4.669 3.960 -0.000 0.000 0.233 82 G HA3 0.709 4.669 3.960 -0.000 0.000 0.233 82 G C -2.181 172.315 174.900 -0.673 0.000 1.168 82 G CA -0.918 43.985 45.100 -0.328 0.000 0.801 82 G HN 0.481 nan 8.290 nan 0.000 0.605 83 F N -1.692 118.380 119.950 0.202 0.000 2.662 83 F HA 0.534 5.061 4.527 -0.000 0.000 0.312 83 F C 0.657 176.631 175.800 0.290 0.000 1.113 83 F CA -0.740 57.363 58.000 0.172 0.000 0.951 83 F CB 2.012 41.060 39.000 0.080 0.000 1.344 83 F HN 0.386 nan 8.300 nan 0.000 0.462 84 L N 0.528 122.053 121.223 0.503 0.000 2.286 84 L HA 0.333 4.673 4.340 -0.000 0.000 0.203 84 L C -0.283 176.747 176.870 0.267 0.000 1.068 84 L CA 0.165 55.313 54.840 0.513 0.000 0.811 84 L CB 0.134 42.571 42.059 0.631 0.000 0.989 84 L HN 0.570 nan 8.230 nan 0.000 0.467 85 L N 1.490 122.783 121.223 0.116 0.000 3.592 85 L HA -0.257 4.083 4.340 -0.000 0.000 0.633 85 L C -0.036 176.811 176.870 -0.038 0.000 1.071 85 L CA 1.190 56.004 54.840 -0.042 0.000 1.090 85 L CB -1.422 40.638 42.059 0.002 0.000 1.328 85 L HN 0.474 nan 8.230 nan 0.000 0.786 86 Q N 2.342 122.125 119.800 -0.029 0.000 2.301 86 Q HA 0.719 5.059 4.340 -0.000 0.000 0.267 86 Q C -0.656 175.334 176.000 -0.015 0.000 1.035 86 Q CA -0.762 55.037 55.803 -0.007 0.000 0.856 86 Q CB 2.124 30.911 28.738 0.081 0.000 1.337 86 Q HN 0.562 nan 8.270 nan 0.000 0.450 87 Q N 1.686 121.478 119.800 -0.014 0.000 2.281 87 Q HA 0.425 4.765 4.340 -0.000 0.000 0.263 87 Q C -0.062 175.946 176.000 0.013 0.000 0.989 87 Q CA 0.338 56.145 55.803 0.007 0.000 0.852 87 Q CB 1.444 30.192 28.738 0.016 0.000 1.337 87 Q HN 0.948 nan 8.270 nan 0.000 0.418 88 G N 2.999 111.810 108.800 0.018 0.000 2.646 88 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.324 88 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.324 88 G C 0.115 174.974 174.900 -0.069 0.000 1.195 88 G CA 1.058 46.192 45.100 0.056 0.000 0.976 88 G HN 0.821 nan 8.290 nan 0.000 0.546 89 H N 1.255 120.323 119.070 -0.003 0.000 2.923 89 H HA 0.476 5.032 4.556 -0.000 0.000 0.268 89 H C 0.523 175.832 175.328 -0.033 0.000 1.148 89 H CA 0.388 56.429 56.048 -0.011 0.000 1.146 89 H CB 0.687 30.444 29.762 -0.008 0.000 1.607 89 H HN 0.582 nan 8.280 nan 0.000 0.566 90 E N 2.763 122.995 120.200 0.054 0.000 2.194 90 E HA 0.180 4.530 4.350 -0.000 0.000 0.284 90 E C -0.539 176.004 176.600 -0.094 0.000 1.035 90 E CA -0.709 55.678 56.400 -0.021 0.000 0.836 90 E CB 0.421 30.111 29.700 -0.016 0.000 1.070 90 E HN 0.332 nan 8.360 nan 0.000 0.401 91 K N 3.854 124.141 120.400 -0.188 0.000 2.378 91 K HA 0.594 4.914 4.320 -0.000 0.000 0.252 91 K C -0.773 175.459 176.600 -0.614 0.000 0.931 91 K CA -1.072 54.999 56.287 -0.360 0.000 0.794 91 K CB 2.299 34.558 32.500 -0.401 0.000 1.181 91 K HN 0.297 nan 8.250 nan 0.000 0.425 92 R N 2.846 122.983 120.500 -0.605 0.000 2.549 92 R HA 0.248 4.588 4.340 -0.000 0.000 0.291 92 R C -1.882 174.222 176.300 -0.327 0.000 1.164 92 R CA -0.613 55.120 56.100 -0.611 0.000 0.973 92 R CB 0.924 31.052 30.300 -0.285 0.000 1.210 92 R HN 0.764 nan 8.270 nan 0.000 0.422 93 W N 4.587 126.012 121.300 0.208 0.000 2.351 93 W HA 0.454 5.114 4.660 -0.000 0.000 0.311 93 W C -0.017 176.672 176.519 0.284 0.000 1.168 93 W CA -1.198 56.291 57.345 0.240 0.000 1.200 93 W CB 0.389 29.957 29.460 0.180 0.000 1.221 93 W HN 0.310 nan 8.180 nan 0.000 0.519 94 M N 4.872 124.800 119.600 0.547 0.000 2.180 94 M HA 0.369 4.849 4.480 -0.000 0.000 0.358 94 M C 0.299 176.725 176.300 0.210 0.000 1.233 94 M CA 0.134 55.672 55.300 0.396 0.000 1.114 94 M CB 0.901 33.846 32.600 0.575 0.000 1.594 94 M HN 0.725 nan 8.290 nan 0.000 0.467 95 T N 0.320 114.805 114.554 -0.115 0.000 2.938 95 T HA 0.365 4.715 4.350 -0.000 0.000 0.285 95 T C 0.802 174.923 174.700 -0.966 0.000 1.028 95 T CA -0.764 61.054 62.100 -0.469 0.000 1.005 95 T CB 1.249 69.882 68.868 -0.391 0.000 1.157 95 T HN 0.735 nan 8.240 nan 0.000 0.550 96 E N -0.007 119.373 120.200 -1.368 0.000 2.233 96 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 96 E C 0.821 177.188 176.600 -0.389 0.000 1.004 96 E CA 1.808 57.439 56.400 -1.281 0.000 0.819 96 E CB -0.104 28.980 29.700 -1.026 0.000 0.738 96 E HN 0.792 nan 8.360 nan 0.000 0.478 97 Y N -0.389 119.633 120.300 -0.465 0.000 2.893 97 Y HA 0.101 4.651 4.550 -0.000 0.000 0.195 97 Y C 1.325 177.030 175.900 -0.324 0.000 0.964 97 Y CA -1.032 56.883 58.100 -0.308 0.000 1.596 97 Y CB 0.158 38.486 38.460 -0.220 0.000 1.247 97 Y HN -0.150 nan 8.280 nan 0.000 0.464 98 D N 0.145 120.497 120.400 -0.078 0.000 2.539 98 D HA 0.210 4.850 4.640 -0.000 0.000 0.276 98 D C -1.452 174.683 176.300 -0.276 0.000 1.206 98 D CA -0.192 53.714 54.000 -0.157 0.000 1.081 98 D CB 0.781 41.591 40.800 0.016 0.000 1.142 98 D HN -0.050 nan 8.370 nan 0.000 0.595 99 F N 0.901 120.900 119.950 0.080 0.000 2.293 99 F HA 0.298 4.825 4.527 0.000 0.000 0.370 99 F C 0.708 176.559 175.800 0.086 0.000 1.090 99 F CA -0.597 57.455 58.000 0.086 0.000 1.133 99 F CB 0.470 39.501 39.000 0.051 0.000 1.360 99 F HN -0.037 nan 8.300 nan 0.000 0.489 100 L N 1.566 122.977 121.223 0.312 0.000 2.479 100 L HA 0.039 4.379 4.340 -0.000 0.000 0.270 100 L C 1.483 178.487 176.870 0.223 0.000 1.236 100 L CA 0.499 55.545 54.840 0.343 0.000 0.823 100 L CB 1.168 43.543 42.059 0.527 0.000 1.098 100 L HN 0.686 nan 8.230 nan 0.000 0.500 101 T N -0.181 114.531 114.554 0.263 0.000 2.955 101 T HA 0.117 4.467 4.350 -0.000 0.000 0.251 101 T C 0.188 175.123 174.700 0.392 0.000 1.002 101 T CA -0.099 62.066 62.100 0.108 0.000 0.970 101 T CB 0.171 69.085 68.868 0.076 0.000 1.091 101 T HN 0.621 nan 8.240 nan 0.000 0.495 102 E N 1.489 122.080 120.200 0.651 0.000 2.238 102 E HA 0.453 4.803 4.350 -0.000 0.000 0.267 102 E C -2.857 173.976 176.600 0.389 0.000 0.887 102 E CA -2.910 53.843 56.400 0.588 0.000 0.769 102 E CB 2.003 31.857 29.700 0.257 0.000 1.187 102 E HN 0.010 nan 8.360 nan 0.000 0.416 103 P HA -0.029 nan 4.420 nan 0.000 0.257 103 P C -2.474 174.603 177.300 -0.372 0.000 1.162 103 P CA -0.432 62.148 63.100 -0.868 0.000 0.762 103 P CB -0.154 31.187 31.700 -0.598 0.000 0.753 104 P HA -0.082 nan 4.420 nan 0.000 0.260 104 P C 0.565 177.844 177.300 -0.035 0.000 1.185 104 P CA 0.658 63.682 63.100 -0.126 0.000 0.763 104 P CB 0.420 32.047 31.700 -0.122 0.000 0.776 105 A N 4.862 127.672 122.820 -0.018 0.000 1.840 105 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 105 A C 0.816 178.434 177.584 0.056 0.000 1.198 105 A CA 1.124 53.175 52.037 0.024 0.000 0.608 105 A CB -0.884 18.120 19.000 0.007 0.000 0.839 105 A HN 0.737 nan 8.150 nan 0.000 0.443 106 N N -0.045 118.634 118.700 -0.035 0.000 2.419 106 N HA 0.354 5.094 4.740 -0.000 0.000 0.277 106 N C -2.347 172.985 175.510 -0.297 0.000 1.006 106 N CA -1.700 51.281 53.050 -0.116 0.000 0.923 106 N CB 1.735 40.156 38.487 -0.110 0.000 1.140 106 N HN 0.015 nan 8.380 nan 0.000 0.488 107 P HA -0.107 nan 4.420 nan 0.000 0.231 107 P C -0.124 176.813 177.300 -0.605 0.000 1.158 107 P CA 0.747 63.291 63.100 -0.928 0.000 0.763 107 P CB 0.269 30.983 31.700 -1.642 0.000 0.805 108 D N 0.833 120.980 120.400 -0.422 0.000 2.133 108 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 108 D C 1.649 177.710 176.300 -0.397 0.000 0.997 108 D CA 1.209 55.007 54.000 -0.337 0.000 0.840 108 D CB -0.339 40.326 40.800 -0.226 0.000 0.947 108 D HN 0.231 nan 8.370 nan 0.000 0.452 109 R N 0.260 120.487 120.500 -0.456 0.000 2.449 109 R HA 0.217 4.557 4.340 -0.000 0.000 0.262 109 R C -0.039 175.815 176.300 -0.744 0.000 1.006 109 R CA -0.013 55.681 56.100 -0.677 0.000 1.104 109 R CB 0.011 29.937 30.300 -0.623 0.000 1.206 109 R HN 0.260 nan 8.270 nan 0.000 0.538 110 L N 0.659 121.510 121.223 -0.619 0.000 2.360 110 L HA 0.397 4.737 4.340 -0.000 0.000 0.271 110 L C 0.374 176.864 176.870 -0.633 0.000 1.057 110 L CA -1.081 53.379 54.840 -0.633 0.000 0.803 110 L CB 0.404 42.151 42.059 -0.519 0.000 1.207 110 L HN -0.141 nan 8.230 nan 0.000 0.445 111 F N 1.015 120.581 119.950 -0.640 0.000 2.628 111 F HA 0.081 4.608 4.527 -0.000 0.000 0.346 111 F C 0.635 176.145 175.800 -0.482 0.000 1.188 111 F CA 0.420 58.017 58.000 -0.670 0.000 1.376 111 F CB 0.170 38.436 39.000 -1.224 0.000 1.104 111 F HN 0.497 nan 8.300 nan 0.000 0.616 112 E N 1.033 121.281 120.200 0.080 0.000 2.335 112 E HA 0.193 4.543 4.350 -0.000 0.000 0.280 112 E C -2.157 174.660 176.600 0.363 0.000 0.918 112 E CA -0.698 55.841 56.400 0.233 0.000 0.765 112 E CB 1.139 30.867 29.700 0.047 0.000 1.218 112 E HN 0.664 nan 8.360 nan 0.000 0.425 113 Y N 6.088 126.543 120.300 0.257 0.000 2.721 113 Y HA 0.270 4.820 4.550 -0.000 0.000 0.328 113 Y C -1.987 173.982 175.900 0.114 0.000 1.003 113 Y CA -2.441 55.763 58.100 0.173 0.000 1.275 113 Y CB 0.964 39.487 38.460 0.106 0.000 1.097 113 Y HN 0.605 nan 8.280 nan 0.000 0.514 114 P HA -0.324 nan 4.420 nan 0.000 0.233 114 P C -0.739 176.735 177.300 0.290 0.000 0.771 114 P CA 1.877 65.160 63.100 0.304 0.000 1.081 114 P CB 0.105 31.989 31.700 0.307 0.000 0.741 115 F N -2.848 117.161 119.950 0.098 0.000 2.628 115 F HA 0.399 4.926 4.527 0.000 0.000 0.309 115 F C -1.089 174.648 175.800 -0.103 0.000 1.108 115 F CA -1.166 56.830 58.000 -0.007 0.000 0.971 115 F CB 0.993 40.017 39.000 0.039 0.000 1.279 115 F HN -0.221 nan 8.300 nan 0.000 0.441 116 I N 5.796 126.254 120.570 -0.188 0.000 2.471 116 I HA 0.092 4.262 4.170 -0.000 0.000 0.294 116 I C -0.353 175.947 176.117 0.305 0.000 1.123 116 I CA 0.187 61.424 61.300 -0.104 0.000 1.336 116 I CB -0.290 37.538 38.000 -0.286 0.000 1.430 116 I HN 0.357 nan 8.210 nan 0.000 0.533 117 N N 9.494 128.340 118.700 0.243 0.000 2.527 117 N HA 0.181 4.921 4.740 -0.000 0.000 0.236 117 N C -1.639 173.944 175.510 0.121 0.000 0.999 117 N CA -1.328 51.836 53.050 0.190 0.000 0.935 117 N CB 1.301 39.870 38.487 0.136 0.000 1.132 117 N HN 0.387 nan 8.380 nan 0.000 0.511 118 P HA -0.149 nan 4.420 nan 0.000 0.229 118 P C 1.185 178.522 177.300 0.061 0.000 1.147 118 P CA 0.640 63.784 63.100 0.073 0.000 0.766 118 P CB 0.603 32.342 31.700 0.065 0.000 0.775 119 V N 0.540 120.490 119.914 0.060 0.000 2.403 119 V HA -0.100 4.020 4.120 -0.000 0.000 0.239 119 V C 1.533 177.654 176.094 0.045 0.000 1.041 119 V CA 1.761 64.087 62.300 0.042 0.000 1.051 119 V CB -0.849 30.992 31.823 0.031 0.000 0.704 119 V HN -0.085 nan 8.190 nan 0.000 0.472 120 D N 0.979 121.417 120.400 0.064 0.000 2.271 120 D HA -0.084 4.556 4.640 -0.000 0.000 0.207 120 D C 0.971 177.321 176.300 0.083 0.000 0.983 120 D CA 0.866 54.908 54.000 0.070 0.000 0.878 120 D CB -0.630 40.238 40.800 0.113 0.000 0.920 120 D HN 0.379 nan 8.370 nan 0.000 0.479 121 V N 1.180 121.157 119.914 0.105 0.000 2.843 121 V HA -0.193 3.927 4.120 -0.000 0.000 0.305 121 V C 0.331 176.509 176.094 0.140 0.000 1.120 121 V CA 0.112 62.496 62.300 0.139 0.000 1.254 121 V CB 0.005 31.891 31.823 0.106 0.000 0.901 121 V HN 0.036 nan 8.190 nan 0.000 0.503 122 F N 4.705 124.690 119.950 0.059 0.000 2.421 122 F HA 0.370 4.897 4.527 0.000 0.000 0.358 122 F C 0.666 176.459 175.800 -0.011 0.000 1.115 122 F CA -0.522 57.495 58.000 0.029 0.000 1.160 122 F CB 0.667 39.686 39.000 0.032 0.000 1.123 122 F HN 0.531 nan 8.300 nan 0.000 0.508 123 Q N 7.483 127.497 119.800 0.356 0.000 2.965 123 Q HA 0.258 4.598 4.340 -0.000 0.000 0.288 123 Q C -2.395 173.725 176.000 0.200 0.000 0.974 123 Q CA -1.858 54.061 55.803 0.195 0.000 0.849 123 Q CB 0.961 29.753 28.738 0.090 0.000 1.280 123 Q HN 0.401 nan 8.270 nan 0.000 0.441 124 P HA 0.147 nan 4.420 nan 0.000 0.271 124 P C -2.547 174.755 177.300 0.003 0.000 1.216 124 P CA -1.460 61.754 63.100 0.189 0.000 0.771 124 P CB 0.449 32.263 31.700 0.191 0.000 0.864 125 P HA -0.094 nan 4.420 nan 0.000 0.242 125 P C 0.984 178.028 177.300 -0.426 0.000 1.116 125 P CA 0.623 63.545 63.100 -0.297 0.000 0.954 125 P CB -0.442 30.904 31.700 -0.589 0.000 0.908 126 A N 4.794 127.511 122.820 -0.172 0.000 2.186 126 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 126 A C 1.676 179.225 177.584 -0.057 0.000 1.159 126 A CA 0.793 52.764 52.037 -0.110 0.000 0.680 126 A CB -1.178 17.807 19.000 -0.025 0.000 0.787 126 A HN 0.784 nan 8.150 nan 0.000 0.467 127 W N 0.460 121.756 121.300 -0.007 0.000 2.825 127 W HA 0.018 4.678 4.660 -0.000 0.000 0.243 127 W C 1.186 177.677 176.519 -0.047 0.000 1.293 127 W CA 1.038 58.372 57.345 -0.017 0.000 1.403 127 W CB -0.995 28.466 29.460 0.001 0.000 1.134 127 W HN 0.255 nan 8.180 nan 0.000 0.666 128 V N 0.786 120.491 119.914 -0.349 0.000 2.323 128 V HA -0.228 3.892 4.120 -0.000 0.000 0.244 128 V C 2.490 178.537 176.094 -0.078 0.000 1.041 128 V CA 1.682 63.774 62.300 -0.346 0.000 1.025 128 V CB -1.050 30.364 31.823 -0.680 0.000 0.656 128 V HN 0.025 nan 8.190 nan 0.000 0.451 129 K N 0.795 121.134 120.400 -0.102 0.000 1.988 129 K HA -0.245 4.075 4.320 -0.000 0.000 0.221 129 K C 2.073 178.666 176.600 -0.012 0.000 1.053 129 K CA 2.256 58.503 56.287 -0.067 0.000 0.959 129 K CB -0.838 31.627 32.500 -0.059 0.000 0.728 129 K HN 0.514 nan 8.250 nan 0.000 0.447 130 D N 1.012 121.435 120.400 0.039 0.000 2.158 130 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 130 D C 0.811 177.153 176.300 0.069 0.000 0.995 130 D CA 0.981 55.015 54.000 0.057 0.000 0.846 130 D CB -0.190 40.661 40.800 0.085 0.000 0.941 130 D HN 0.286 nan 8.370 nan 0.000 0.456 131 A N 0.345 123.241 122.820 0.127 0.000 2.386 131 A HA 0.388 4.708 4.320 -0.000 0.000 0.248 131 A C -0.183 177.448 177.584 0.077 0.000 1.082 131 A CA -0.040 52.083 52.037 0.143 0.000 0.789 131 A CB 0.510 19.716 19.000 0.343 0.000 1.025 131 A HN 0.033 nan 8.150 nan 0.000 0.490 132 I N 1.372 121.981 120.570 0.065 0.000 2.497 132 I HA 0.341 4.511 4.170 -0.000 0.000 0.284 132 I C -0.266 175.917 176.117 0.110 0.000 1.060 132 I CA -0.008 61.311 61.300 0.031 0.000 1.071 132 I CB 1.086 39.115 38.000 0.048 0.000 1.216 132 I HN 0.628 nan 8.210 nan 0.000 0.442 133 F N 5.067 124.996 119.950 -0.035 0.000 2.228 133 F HA 0.256 4.783 4.527 -0.000 0.000 0.280 133 F C -0.249 175.671 175.800 0.199 0.000 1.235 133 F CA 0.700 58.752 58.000 0.087 0.000 1.235 133 F CB 0.314 39.332 39.000 0.030 0.000 1.506 133 F HN 0.408 nan 8.300 nan 0.000 0.502 134 Y N 1.012 121.496 120.300 0.308 0.000 2.125 134 Y HA 0.115 4.665 4.550 -0.000 0.000 0.312 134 Y C -0.623 175.404 175.900 0.212 0.000 1.227 134 Y CA -0.977 57.233 58.100 0.184 0.000 1.527 134 Y CB -0.105 38.392 38.460 0.061 0.000 1.308 134 Y HN 0.557 nan 8.280 nan 0.000 0.375 135 Q N 6.019 125.985 119.800 0.278 0.000 2.354 135 Q HA 0.654 4.994 4.340 -0.000 0.000 0.244 135 Q C -1.243 174.804 176.000 0.080 0.000 0.969 135 Q CA -0.371 55.636 55.803 0.339 0.000 0.885 135 Q CB 1.326 30.357 28.738 0.488 0.000 1.241 135 Q HN 0.784 nan 8.270 nan 0.000 0.461 136 I N 3.684 124.181 120.570 -0.122 0.000 2.649 136 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 136 I C -1.879 174.152 176.117 -0.144 0.000 1.222 136 I CA -0.817 60.350 61.300 -0.222 0.000 1.046 136 I CB 1.442 38.917 38.000 -0.875 0.000 1.272 136 I HN 0.812 nan 8.210 nan 0.000 0.425 137 F N 9.416 129.392 119.950 0.043 0.000 2.375 137 F HA 0.420 4.947 4.527 -0.000 0.000 0.362 137 F C -1.744 174.018 175.800 -0.062 0.000 1.129 137 F CA -2.042 56.007 58.000 0.082 0.000 1.154 137 F CB 1.396 40.626 39.000 0.383 0.000 1.205 137 F HN 0.416 nan 8.300 nan 0.000 0.513 138 P HA -0.234 nan 4.420 nan 0.000 0.216 138 P C 1.484 178.616 177.300 -0.280 0.000 1.153 138 P CA 1.150 64.137 63.100 -0.188 0.000 0.858 138 P CB 0.134 31.602 31.700 -0.387 0.000 0.789 139 E N 0.258 120.160 120.200 -0.498 0.000 2.048 139 E HA -0.211 4.139 4.350 -0.000 0.000 0.202 139 E C 0.906 177.411 176.600 -0.158 0.000 1.021 139 E CA 1.311 57.516 56.400 -0.326 0.000 0.825 139 E CB -0.116 29.066 29.700 -0.863 0.000 0.756 139 E HN 0.256 nan 8.360 nan 0.000 0.454 140 R N -0.472 119.853 120.500 -0.292 0.000 2.983 140 R HA 0.175 4.515 4.340 -0.000 0.000 0.300 140 R C 0.618 176.803 176.300 -0.192 0.000 1.367 140 R CA -0.239 55.799 56.100 -0.105 0.000 1.564 140 R CB -0.358 29.922 30.300 -0.033 0.000 1.314 140 R HN 0.064 nan 8.270 nan 0.000 0.622 141 F N 0.909 120.647 119.950 -0.352 0.000 2.534 141 F HA 0.623 5.150 4.527 -0.000 0.000 0.274 141 F C -0.444 175.316 175.800 -0.065 0.000 0.917 141 F CA 0.230 57.946 58.000 -0.475 0.000 1.145 141 F CB 0.543 39.243 39.000 -0.500 0.000 1.145 141 F HN 0.276 nan 8.300 nan 0.000 0.746 142 A N 0.579 123.312 122.820 -0.145 0.000 2.549 142 A HA 0.496 4.816 4.320 -0.000 0.000 0.297 142 A C -1.387 176.224 177.584 0.045 0.000 1.061 142 A CA -0.568 51.451 52.037 -0.030 0.000 0.690 142 A CB 0.734 19.619 19.000 -0.192 0.000 1.287 142 A HN 0.417 nan 8.150 nan 0.000 0.402 143 N N 1.517 120.242 118.700 0.041 0.000 2.790 143 N HA 0.288 5.028 4.740 -0.000 0.000 0.256 143 N C 0.724 176.236 175.510 0.003 0.000 1.409 143 N CA 0.239 53.316 53.050 0.045 0.000 0.799 143 N CB 0.689 39.220 38.487 0.073 0.000 1.170 143 N HN 0.823 nan 8.380 nan 0.000 0.507 144 G N 0.487 109.273 108.800 -0.024 0.000 2.990 144 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.206 144 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.206 144 G C 0.076 174.958 174.900 -0.031 0.000 1.169 144 G CA 0.349 45.414 45.100 -0.059 0.000 0.819 144 G HN 0.478 nan 8.290 nan 0.000 0.517 145 D N -0.717 119.682 120.400 -0.001 0.000 2.575 145 D HA 0.197 4.837 4.640 -0.000 0.000 0.250 145 D C 0.975 177.285 176.300 0.017 0.000 1.279 145 D CA -0.321 53.684 54.000 0.007 0.000 0.925 145 D CB 1.447 42.260 40.800 0.021 0.000 1.261 145 D HN -0.089 nan 8.370 nan 0.000 0.567 146 T N 2.337 116.895 114.554 0.007 0.000 2.946 146 T HA -0.107 4.243 4.350 -0.000 0.000 0.271 146 T C 0.836 175.541 174.700 0.008 0.000 1.104 146 T CA 0.709 62.815 62.100 0.010 0.000 1.114 146 T CB 0.009 68.878 68.868 0.002 0.000 0.867 146 T HN 0.164 nan 8.240 nan 0.000 0.513 147 R N 2.191 122.696 120.500 0.007 0.000 2.235 147 R HA 0.406 4.746 4.340 -0.000 0.000 0.338 147 R C 0.629 176.930 176.300 0.001 0.000 1.087 147 R CA -0.179 55.921 56.100 -0.000 0.000 0.948 147 R CB 0.186 30.486 30.300 0.000 0.000 1.099 147 R HN 0.222 nan 8.270 nan 0.000 0.483 148 N N 0.328 119.016 118.700 -0.020 0.000 3.481 148 N HA 0.188 4.928 4.740 -0.000 0.000 0.239 148 N C -0.457 174.980 175.510 -0.123 0.000 1.127 148 N CA -0.059 52.967 53.050 -0.041 0.000 1.180 148 N CB 0.740 39.225 38.487 -0.004 0.000 1.225 148 N HN 0.327 nan 8.380 nan 0.000 0.857 149 D N -0.759 119.548 120.400 -0.155 0.000 2.825 149 D HA 0.367 5.007 4.640 -0.000 0.000 0.327 149 D C -1.865 174.335 176.300 -0.166 0.000 1.277 149 D CA -0.595 53.261 54.000 -0.240 0.000 0.950 149 D CB 1.783 42.268 40.800 -0.525 0.000 1.438 149 D HN -0.093 nan 8.370 nan 0.000 0.526 150 P HA 0.214 nan 4.420 nan 0.000 0.238 150 P C -0.205 177.047 177.300 -0.081 0.000 1.183 150 P CA 0.382 63.424 63.100 -0.098 0.000 0.813 150 P CB 0.941 32.594 31.700 -0.078 0.000 0.944 151 E N 0.297 120.426 120.200 -0.118 0.000 2.369 151 E HA 0.367 4.717 4.350 -0.000 0.000 0.255 151 E C 0.542 177.119 176.600 -0.038 0.000 1.172 151 E CA -0.556 55.805 56.400 -0.065 0.000 0.932 151 E CB -0.017 29.676 29.700 -0.011 0.000 1.040 151 E HN 0.026 nan 8.360 nan 0.000 0.454 152 G N 1.407 110.176 108.800 -0.051 0.000 2.940 152 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.275 152 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.275 152 G C 0.398 175.424 174.900 0.209 0.000 0.350 152 G CA 0.657 45.761 45.100 0.007 0.000 1.186 152 G HN 0.512 nan 8.290 nan 0.000 0.207 153 T N 0.985 115.698 114.554 0.265 0.000 2.833 153 T HA 0.577 4.927 4.350 -0.000 0.000 0.312 153 T C 1.471 176.420 174.700 0.416 0.000 1.085 153 T CA -0.712 61.555 62.100 0.277 0.000 0.955 153 T CB 0.526 69.502 68.868 0.181 0.000 1.353 153 T HN 0.502 nan 8.240 nan 0.000 0.544 154 L N 1.034 122.402 121.223 0.243 0.000 2.367 154 L HA 0.258 4.598 4.340 -0.000 0.000 0.215 154 L C -1.734 175.202 176.870 0.110 0.000 1.197 154 L CA -1.615 53.298 54.840 0.122 0.000 0.836 154 L CB -0.612 41.492 42.059 0.075 0.000 1.242 154 L HN 0.542 nan 8.230 nan 0.000 0.553 155 P HA -0.208 nan 4.420 nan 0.000 0.271 155 P C -0.405 176.980 177.300 0.142 0.000 1.179 155 P CA 1.005 64.050 63.100 -0.091 0.000 0.766 155 P CB 0.107 31.724 31.700 -0.139 0.000 0.789 156 W N -0.395 120.916 121.300 0.019 0.000 3.641 156 W HA 0.250 4.910 4.660 -0.000 0.000 0.167 156 W C 0.211 176.763 176.519 0.055 0.000 0.978 156 W CA 0.446 57.828 57.345 0.062 0.000 1.440 156 W CB -0.591 28.941 29.460 0.120 0.000 0.602 156 W HN 0.394 nan 8.180 nan 0.000 0.907 157 G N 2.091 110.331 108.800 -0.934 0.000 2.588 157 G HA2 0.369 4.329 3.960 -0.000 0.000 0.278 157 G HA3 0.369 4.329 3.960 -0.000 0.000 0.278 157 G C 0.664 175.359 174.900 -0.343 0.000 1.307 157 G CA 1.180 45.802 45.100 -0.797 0.000 1.016 157 G HN 0.263 nan 8.290 nan 0.000 0.503 158 S N -2.710 112.851 115.700 -0.231 0.000 3.916 158 S HA 0.371 4.840 4.470 -0.000 0.000 0.231 158 S C 1.707 176.250 174.600 -0.096 0.000 1.161 158 S CA 1.172 59.299 58.200 -0.122 0.000 0.938 158 S CB -0.000 63.170 63.200 -0.050 0.000 1.170 158 S HN 1.187 nan 8.310 nan 0.000 0.508 159 A N 1.042 123.824 122.820 -0.064 0.000 1.984 159 A HA 0.420 4.740 4.320 -0.000 0.000 0.203 159 A C 0.409 177.973 177.584 -0.034 0.000 1.292 159 A CA 0.508 52.523 52.037 -0.036 0.000 0.782 159 A CB 0.193 19.188 19.000 -0.008 0.000 0.924 159 A HN 0.430 nan 8.150 nan 0.000 0.475 160 D N 1.231 121.618 120.400 -0.023 0.000 2.683 160 D HA 0.359 4.999 4.640 -0.000 0.000 0.309 160 D C -2.727 173.550 176.300 -0.038 0.000 1.238 160 D CA -0.771 53.243 54.000 0.023 0.000 0.936 160 D CB 1.096 41.956 40.800 0.101 0.000 1.001 160 D HN 0.258 nan 8.370 nan 0.000 0.505 161 P HA 0.389 nan 4.420 nan 0.000 0.289 161 P C -0.877 176.322 177.300 -0.169 0.000 1.302 161 P CA -0.352 62.365 63.100 -0.639 0.000 0.923 161 P CB 1.111 32.380 31.700 -0.719 0.000 1.238 162 T N -0.671 113.874 114.554 -0.014 0.000 1.803 162 T HA -0.055 4.295 4.350 -0.000 0.000 0.613 162 T C -2.622 172.402 174.700 0.540 0.000 0.923 162 T CA -0.362 62.039 62.100 0.501 0.000 3.257 162 T CB -1.790 67.248 68.868 0.284 0.000 1.901 162 T HN 0.391 nan 8.240 nan 0.000 0.423 163 P HA 0.537 nan 4.420 nan 0.000 0.283 163 P C 0.188 177.629 177.300 0.234 0.000 1.271 163 P CA -0.709 62.593 63.100 0.337 0.000 0.841 163 P CB 0.961 32.805 31.700 0.239 0.000 1.122 164 S N -0.037 115.751 115.700 0.147 0.000 3.120 164 S HA 0.042 4.512 4.470 -0.000 0.000 0.259 164 S C 0.698 175.292 174.600 -0.009 0.000 1.191 164 S CA -0.056 58.197 58.200 0.088 0.000 1.257 164 S CB -1.616 61.625 63.200 0.068 0.000 0.964 164 S HN 0.347 nan 8.310 nan 0.000 0.473 165 C N 0.183 119.456 119.300 -0.045 0.000 4.225 165 C HA 0.664 5.124 4.460 -0.000 0.000 0.181 165 C C 0.003 174.821 174.990 -0.287 0.000 2.211 165 C CA -0.272 58.664 59.018 -0.137 0.000 1.241 165 C CB -0.298 27.383 27.740 -0.098 0.000 1.739 165 C HN 0.588 nan 8.230 nan 0.000 0.611 166 F N -1.318 118.425 119.950 -0.344 0.000 2.713 166 F HA 0.680 5.207 4.527 -0.000 0.000 0.311 166 F C -1.135 174.190 175.800 -0.791 0.000 1.141 166 F CA -1.186 56.605 58.000 -0.349 0.000 0.939 166 F CB 1.403 40.299 39.000 -0.174 0.000 1.325 166 F HN 0.184 nan 8.300 nan 0.000 0.453 167 F N -0.588 119.655 119.950 0.487 0.000 2.741 167 F HA 0.519 5.046 4.527 0.000 0.000 0.311 167 F C 0.367 176.286 175.800 0.198 0.000 1.149 167 F CA -1.328 56.827 58.000 0.259 0.000 0.930 167 F CB 1.726 40.854 39.000 0.214 0.000 1.312 167 F HN 0.452 nan 8.300 nan 0.000 0.450 168 G N 0.444 109.439 108.800 0.325 0.000 3.949 168 G HA2 0.454 4.414 3.960 -0.000 0.000 0.295 168 G HA3 0.454 4.414 3.960 -0.000 0.000 0.295 168 G C 0.250 175.270 174.900 0.200 0.000 1.286 168 G CA -0.137 45.080 45.100 0.195 0.000 1.171 168 G HN 0.924 nan 8.290 nan 0.000 0.586 169 G N 1.090 110.027 108.800 0.228 0.000 2.340 169 G HA2 0.413 4.373 3.960 -0.000 0.000 0.245 169 G HA3 0.413 4.373 3.960 -0.000 0.000 0.245 169 G C -0.211 174.821 174.900 0.220 0.000 1.294 169 G CA -0.073 45.126 45.100 0.165 0.000 0.896 169 G HN 0.441 nan 8.290 nan 0.000 0.522 170 D N 1.055 121.535 120.400 0.133 0.000 2.585 170 D HA 0.267 4.907 4.640 -0.000 0.000 0.254 170 D C 1.161 177.462 176.300 0.001 0.000 1.067 170 D CA -0.992 53.075 54.000 0.111 0.000 1.090 170 D CB 0.821 41.697 40.800 0.127 0.000 1.408 170 D HN 0.187 nan 8.370 nan 0.000 0.554 171 L N -0.675 120.520 121.223 -0.047 0.000 2.095 171 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 171 L C 2.430 179.303 176.870 0.004 0.000 1.080 171 L CA 0.650 55.452 54.840 -0.064 0.000 0.759 171 L CB -0.416 41.561 42.059 -0.137 0.000 0.914 171 L HN 0.447 nan 8.230 nan 0.000 0.439 172 Q N 0.623 120.425 119.800 0.004 0.000 2.133 172 Q HA -0.228 4.112 4.340 -0.000 0.000 0.208 172 Q C 2.068 178.065 176.000 -0.005 0.000 0.991 172 Q CA 2.220 58.020 55.803 -0.006 0.000 0.867 172 Q CB -0.590 28.143 28.738 -0.008 0.000 0.911 172 Q HN 0.540 nan 8.270 nan 0.000 0.417 173 G N 0.038 108.848 108.800 0.017 0.000 2.476 173 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 173 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 173 G C 1.605 176.546 174.900 0.069 0.000 1.164 173 G CA 1.520 46.622 45.100 0.003 0.000 0.768 173 G HN 0.344 nan 8.290 nan 0.000 0.560 174 V N 1.390 121.439 119.914 0.226 0.000 2.392 174 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 174 V C 2.771 178.966 176.094 0.168 0.000 1.059 174 V CA 1.637 64.159 62.300 0.370 0.000 1.051 174 V CB -0.434 31.615 31.823 0.377 0.000 0.658 174 V HN 0.437 nan 8.190 nan 0.000 0.455 175 I N 0.141 120.748 120.570 0.061 0.000 2.567 175 I HA -0.191 3.979 4.170 -0.000 0.000 0.257 175 I C 2.082 178.171 176.117 -0.046 0.000 1.184 175 I CA 1.176 62.476 61.300 0.001 0.000 1.451 175 I CB -0.458 37.526 38.000 -0.026 0.000 1.089 175 I HN 0.396 nan 8.210 nan 0.000 0.441 176 D N -0.006 120.336 120.400 -0.097 0.000 2.121 176 D HA -0.103 4.537 4.640 -0.000 0.000 0.209 176 D C 1.694 177.812 176.300 -0.303 0.000 0.981 176 D CA 1.201 55.052 54.000 -0.248 0.000 0.875 176 D CB -0.593 39.972 40.800 -0.391 0.000 1.016 176 D HN 0.351 nan 8.370 nan 0.000 0.452 177 H N 0.652 119.564 119.070 -0.263 0.000 2.611 177 H HA 0.028 4.584 4.556 -0.000 0.000 0.283 177 H C 1.649 176.992 175.328 0.026 0.000 1.075 177 H CA -0.112 55.768 56.048 -0.279 0.000 1.184 177 H CB 0.081 29.374 29.762 -0.782 0.000 1.294 177 H HN 0.027 nan 8.280 nan 0.000 0.619 178 L N 0.707 121.990 121.223 0.100 0.000 2.027 178 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 178 L C 1.926 178.867 176.870 0.119 0.000 1.074 178 L CA 1.716 56.629 54.840 0.121 0.000 0.745 178 L CB -0.366 41.724 42.059 0.052 0.000 0.898 178 L HN 0.130 nan 8.230 nan 0.000 0.433 179 D N -2.252 118.189 120.400 0.069 0.000 2.351 179 D HA -0.244 4.396 4.640 -0.000 0.000 0.216 179 D C 2.125 178.496 176.300 0.119 0.000 0.968 179 D CA 0.695 54.729 54.000 0.058 0.000 0.899 179 D CB 0.056 40.862 40.800 0.011 0.000 0.907 179 D HN 0.514 nan 8.370 nan 0.000 0.514 180 H N 0.470 119.588 119.070 0.081 0.000 2.343 180 H HA -0.034 4.522 4.556 -0.000 0.000 0.303 180 H C 1.989 177.430 175.328 0.189 0.000 1.068 180 H CA 1.047 57.190 56.048 0.158 0.000 1.359 180 H CB -0.451 29.459 29.762 0.248 0.000 1.402 180 H HN 0.202 nan 8.280 nan 0.000 0.515 181 L N 0.627 122.077 121.223 0.378 0.000 2.131 181 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 181 L C 2.778 179.658 176.870 0.017 0.000 1.092 181 L CA 1.158 56.072 54.840 0.124 0.000 0.759 181 L CB -0.542 41.528 42.059 0.018 0.000 0.903 181 L HN 0.195 nan 8.230 nan 0.000 0.435 182 S N -0.117 115.611 115.700 0.046 0.000 2.400 182 S HA -0.232 4.238 4.470 -0.000 0.000 0.232 182 S C 1.982 176.598 174.600 0.026 0.000 1.025 182 S CA 1.502 59.715 58.200 0.021 0.000 0.993 182 S CB -0.180 63.035 63.200 0.024 0.000 0.808 182 S HN 0.375 nan 8.310 nan 0.000 0.478 183 K N 0.978 121.401 120.400 0.038 0.000 2.062 183 K HA 0.058 4.378 4.320 -0.000 0.000 0.205 183 K C 2.168 178.852 176.600 0.140 0.000 1.051 183 K CA 0.634 56.964 56.287 0.071 0.000 0.941 183 K CB -0.254 32.273 32.500 0.046 0.000 0.719 183 K HN 0.231 nan 8.250 nan 0.000 0.440 184 L N 0.926 122.230 121.223 0.134 0.000 2.079 184 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 184 L C 0.549 177.377 176.870 -0.070 0.000 1.081 184 L CA 2.500 57.346 54.840 0.009 0.000 0.752 184 L CB -1.259 40.758 42.059 -0.069 0.000 0.896 184 L HN 0.614 nan 8.230 nan 0.000 0.433 185 G N 0.233 109.022 108.800 -0.017 0.000 2.742 185 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.257 185 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.257 185 G C -0.326 174.580 174.900 0.011 0.000 1.143 185 G CA 0.153 45.248 45.100 -0.008 0.000 1.064 185 G HN 0.267 nan 8.290 nan 0.000 0.529 186 V N 0.037 119.949 119.914 -0.002 0.000 3.109 186 V HA 0.583 4.703 4.120 -0.000 0.000 0.317 186 V C 1.089 177.175 176.094 -0.013 0.000 1.074 186 V CA -0.107 62.203 62.300 0.018 0.000 1.033 186 V CB 1.954 33.754 31.823 -0.037 0.000 1.111 186 V HN 0.421 nan 8.190 nan 0.000 0.458 187 N N 0.219 118.907 118.700 -0.019 0.000 2.445 187 N HA 0.494 5.234 4.740 -0.000 0.000 0.204 187 N C -0.098 175.316 175.510 -0.159 0.000 1.098 187 N CA 0.671 53.685 53.050 -0.060 0.000 0.859 187 N CB 0.717 39.202 38.487 -0.003 0.000 1.249 187 N HN 0.791 nan 8.380 nan 0.000 0.462 188 A N -0.397 122.282 122.820 -0.235 0.000 2.593 188 A HA 0.795 5.115 4.320 -0.000 0.000 0.290 188 A C -1.680 175.619 177.584 -0.474 0.000 1.126 188 A CA -0.497 51.251 52.037 -0.481 0.000 0.695 188 A CB 1.261 19.750 19.000 -0.851 0.000 1.290 188 A HN -0.150 nan 8.150 nan 0.000 0.414 189 V N 0.767 120.425 119.914 -0.427 0.000 2.733 189 V HA 0.415 4.535 4.120 -0.000 0.000 0.306 189 V C -1.611 174.616 176.094 0.221 0.000 1.084 189 V CA -0.412 61.848 62.300 -0.066 0.000 0.905 189 V CB 1.755 33.587 31.823 0.015 0.000 1.010 189 V HN 0.966 nan 8.190 nan 0.000 0.424 190 Y N 5.434 125.952 120.300 0.363 0.000 2.328 190 Y HA 0.738 5.288 4.550 -0.000 0.000 0.337 190 Y C -1.302 174.702 175.900 0.173 0.000 1.008 190 Y CA -1.540 56.844 58.100 0.473 0.000 1.129 190 Y CB 1.145 39.967 38.460 0.603 0.000 1.185 190 Y HN 0.482 nan 8.280 nan 0.000 0.476 191 F N 4.528 124.243 119.950 -0.392 0.000 2.436 191 F HA 0.355 4.882 4.527 -0.000 0.000 0.340 191 F C 0.890 176.276 175.800 -0.691 0.000 1.113 191 F CA -0.438 57.275 58.000 -0.479 0.000 1.022 191 F CB 1.509 40.366 39.000 -0.240 0.000 1.128 191 F HN 0.660 nan 8.300 nan 0.000 0.466 192 T N 1.803 116.114 114.554 -0.405 0.000 2.667 192 T HA 0.280 4.630 4.350 -0.000 0.000 0.305 192 T C -2.515 172.160 174.700 -0.041 0.000 1.022 192 T CA -1.594 60.388 62.100 -0.197 0.000 0.995 192 T CB 0.502 69.292 68.868 -0.130 0.000 1.026 192 T HN 0.326 nan 8.240 nan 0.000 0.527 193 P HA 0.117 nan 4.420 nan 0.000 0.264 193 P C -0.090 177.300 177.300 0.151 0.000 1.183 193 P CA 0.145 63.189 63.100 -0.094 0.000 0.763 193 P CB 0.083 31.532 31.700 -0.418 0.000 0.807 194 L N -0.033 121.392 121.223 0.335 0.000 2.685 194 L HA 0.509 4.849 4.340 -0.000 0.000 0.297 194 L C -1.341 175.742 176.870 0.354 0.000 1.367 194 L CA -0.647 54.450 54.840 0.428 0.000 0.703 194 L CB -0.153 41.955 42.059 0.082 0.000 1.039 194 L HN -0.053 nan 8.230 nan 0.000 0.529 195 F N 0.416 120.362 119.950 -0.007 0.000 2.520 195 F HA 0.425 4.952 4.527 -0.000 0.000 0.322 195 F C 0.834 176.639 175.800 0.007 0.000 1.103 195 F CA -1.333 56.642 58.000 -0.043 0.000 0.926 195 F CB 1.942 40.842 39.000 -0.166 0.000 1.154 195 F HN 0.137 nan 8.300 nan 0.000 0.453 196 K N 2.461 122.978 120.400 0.195 0.000 2.237 196 K HA 0.117 4.437 4.320 -0.000 0.000 0.249 196 K C -0.373 176.298 176.600 0.118 0.000 1.351 196 K CA 0.245 56.617 56.287 0.141 0.000 1.325 196 K CB -0.461 32.157 32.500 0.196 0.000 0.752 196 K HN 0.760 nan 8.250 nan 0.000 0.510 197 A N 2.584 125.429 122.820 0.042 0.000 2.468 197 A HA 0.524 4.844 4.320 -0.000 0.000 0.270 197 A C 0.355 177.954 177.584 0.025 0.000 1.217 197 A CA -0.154 51.896 52.037 0.022 0.000 0.908 197 A CB 1.272 20.242 19.000 -0.050 0.000 1.423 197 A HN 0.638 nan 8.150 nan 0.000 0.459 198 T N -2.460 112.116 114.554 0.036 0.000 3.339 198 T HA 0.489 4.839 4.350 -0.000 0.000 0.292 198 T C -0.074 174.680 174.700 0.091 0.000 1.012 198 T CA 0.545 62.694 62.100 0.082 0.000 0.937 198 T CB -0.951 67.978 68.868 0.103 0.000 1.164 198 T HN 1.416 nan 8.240 nan 0.000 0.509 199 T N -1.123 113.449 114.554 0.030 0.000 2.816 199 T HA 0.402 4.752 4.350 -0.000 0.000 0.299 199 T C 0.819 175.507 174.700 -0.018 0.000 1.230 199 T CA -0.360 61.734 62.100 -0.011 0.000 1.007 199 T CB 1.343 70.265 68.868 0.090 0.000 1.289 199 T HN 0.045 nan 8.240 nan 0.000 0.508 200 N N 0.385 119.028 118.700 -0.096 0.000 2.104 200 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 200 N C 0.762 176.501 175.510 0.383 0.000 1.024 200 N CA 1.587 54.678 53.050 0.068 0.000 0.853 200 N CB -0.939 37.563 38.487 0.025 0.000 1.008 200 N HN 0.950 nan 8.380 nan 0.000 0.424 201 H N -0.372 118.873 119.070 0.293 0.000 2.668 201 H HA 0.330 4.886 4.556 -0.000 0.000 0.303 201 H C -0.273 175.097 175.328 0.069 0.000 1.074 201 H CA -0.593 55.622 56.048 0.278 0.000 1.406 201 H CB 0.882 30.743 29.762 0.166 0.000 1.442 201 H HN -0.063 nan 8.280 nan 0.000 0.482 202 K N 4.131 124.415 120.400 -0.194 0.000 2.706 202 K HA -0.026 4.294 4.320 -0.000 0.000 0.217 202 K C -0.076 176.315 176.600 -0.348 0.000 1.019 202 K CA -0.043 56.104 56.287 -0.233 0.000 1.181 202 K CB -0.519 32.000 32.500 0.031 0.000 0.940 202 K HN 0.609 nan 8.250 nan 0.000 0.491 203 Y N 0.013 120.115 120.300 -0.330 0.000 2.529 203 Y HA -0.039 4.511 4.550 -0.000 0.000 0.290 203 Y C 0.935 176.722 175.900 -0.188 0.000 1.177 203 Y CA -0.186 57.798 58.100 -0.192 0.000 1.305 203 Y CB -0.024 38.464 38.460 0.046 0.000 1.047 203 Y HN 0.075 nan 8.280 nan 0.000 0.522 204 D N 0.028 120.331 120.400 -0.161 0.000 3.071 204 D HA 0.005 4.645 4.640 -0.000 0.000 0.259 204 D C 0.131 176.428 176.300 -0.006 0.000 1.331 204 D CA -0.035 53.946 54.000 -0.031 0.000 0.861 204 D CB -0.129 40.648 40.800 -0.038 0.000 1.059 204 D HN -0.061 nan 8.370 nan 0.000 0.486 205 T N -0.184 114.330 114.554 -0.067 0.000 2.750 205 T HA -0.128 4.222 4.350 -0.000 0.000 0.277 205 T C 1.031 175.816 174.700 0.142 0.000 0.996 205 T CA 0.518 62.563 62.100 -0.092 0.000 1.195 205 T CB 0.677 69.224 68.868 -0.534 0.000 0.963 205 T HN 0.484 nan 8.240 nan 0.000 0.516 206 E N 3.105 123.447 120.200 0.237 0.000 2.127 206 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 206 E C 0.029 176.985 176.600 0.593 0.000 0.964 206 E CA 0.187 56.819 56.400 0.387 0.000 0.832 206 E CB 0.397 30.251 29.700 0.256 0.000 0.790 206 E HN 0.680 nan 8.360 nan 0.000 0.465 207 D N -1.148 119.567 120.400 0.525 0.000 2.855 207 D HA 0.086 4.726 4.640 -0.000 0.000 0.241 207 D C -0.932 175.795 176.300 0.711 0.000 1.277 207 D CA -0.628 53.801 54.000 0.714 0.000 0.918 207 D CB 0.737 41.868 40.800 0.551 0.000 1.462 207 D HN 0.012 nan 8.370 nan 0.000 0.559 208 Y N 2.259 122.957 120.300 0.664 0.000 2.553 208 Y HA 0.182 4.732 4.550 -0.000 0.000 0.303 208 Y C 0.822 177.014 175.900 0.487 0.000 1.194 208 Y CA 0.282 58.646 58.100 0.440 0.000 1.305 208 Y CB -0.136 38.283 38.460 -0.069 0.000 1.045 208 Y HN 0.358 nan 8.280 nan 0.000 0.514 209 F N -0.403 120.063 119.950 0.860 0.000 2.764 209 F HA 0.327 4.854 4.527 0.000 0.000 0.310 209 F C 0.381 176.578 175.800 0.662 0.000 1.124 209 F CA -0.315 58.157 58.000 0.787 0.000 1.252 209 F CB 0.441 39.707 39.000 0.444 0.000 1.010 209 F HN -0.150 nan 8.300 nan 0.000 0.518 210 Q N 0.519 120.782 119.800 0.772 0.000 2.426 210 Q HA 0.378 4.718 4.340 -0.000 0.000 0.278 210 Q C -1.491 174.683 176.000 0.290 0.000 1.007 210 Q CA -0.686 55.426 55.803 0.515 0.000 0.850 210 Q CB 2.472 31.431 28.738 0.368 0.000 1.427 210 Q HN -0.112 nan 8.270 nan 0.000 0.391 211 I N 2.641 123.342 120.570 0.219 0.000 2.395 211 I HA 0.089 4.259 4.170 -0.000 0.000 0.289 211 I C 0.397 176.589 176.117 0.126 0.000 1.023 211 I CA 0.002 61.353 61.300 0.085 0.000 1.350 211 I CB 0.855 38.918 38.000 0.104 0.000 1.409 211 I HN 0.733 nan 8.210 nan 0.000 0.507 212 D N 9.755 130.214 120.400 0.098 0.000 2.583 212 D HA -0.063 4.577 4.640 -0.000 0.000 0.232 212 D C -1.375 174.925 176.300 0.000 0.000 1.128 212 D CA -0.777 53.204 54.000 -0.032 0.000 0.859 212 D CB 1.456 42.047 40.800 -0.349 0.000 1.169 212 D HN 0.306 nan 8.370 nan 0.000 0.481 213 P HA -0.277 nan 4.420 nan 0.000 0.216 213 P C 1.291 178.600 177.300 0.014 0.000 1.154 213 P CA 1.947 65.061 63.100 0.022 0.000 0.865 213 P CB 0.133 31.840 31.700 0.012 0.000 0.789 214 Q N -0.148 119.620 119.800 -0.053 0.000 2.050 214 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 214 Q C 2.287 178.358 176.000 0.118 0.000 0.980 214 Q CA 1.693 57.478 55.803 -0.031 0.000 0.840 214 Q CB -1.714 26.944 28.738 -0.134 0.000 0.898 214 Q HN 0.238 nan 8.270 nan 0.000 0.424 215 F N 0.415 120.378 119.950 0.022 0.000 2.069 215 F HA -0.032 4.495 4.527 0.000 0.000 0.298 215 F C 1.687 177.491 175.800 0.006 0.000 1.113 215 F CA 0.707 58.717 58.000 0.016 0.000 1.214 215 F CB -0.158 38.847 39.000 0.009 0.000 0.978 215 F HN 0.494 nan 8.300 nan 0.000 0.474 216 G N -0.576 108.356 108.800 0.221 0.000 2.480 216 G HA2 0.168 4.128 3.960 -0.000 0.000 0.109 216 G HA3 0.168 4.128 3.960 -0.000 0.000 0.109 216 G C -2.076 172.885 174.900 0.103 0.000 1.172 216 G CA -0.143 45.028 45.100 0.119 0.000 1.091 216 G HN 0.303 nan 8.290 nan 0.000 0.464 217 D N -1.135 119.311 120.400 0.078 0.000 2.895 217 D HA 0.508 5.148 4.640 -0.000 0.000 0.320 217 D C 1.285 177.630 176.300 0.075 0.000 1.249 217 D CA 0.092 54.143 54.000 0.085 0.000 0.997 217 D CB 0.578 41.419 40.800 0.069 0.000 1.430 217 D HN 0.735 nan 8.370 nan 0.000 0.558 218 K N -0.138 120.311 120.400 0.082 0.000 1.991 218 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 218 K C 0.916 177.534 176.600 0.029 0.000 1.049 218 K CA 1.554 57.879 56.287 0.063 0.000 0.932 218 K CB -0.630 31.894 32.500 0.040 0.000 0.717 218 K HN 0.284 nan 8.250 nan 0.000 0.441 219 D N 1.297 121.712 120.400 0.025 0.000 2.137 219 D HA -0.227 4.413 4.640 -0.000 0.000 0.189 219 D C 2.209 178.507 176.300 -0.003 0.000 0.998 219 D CA 2.706 56.712 54.000 0.011 0.000 0.839 219 D CB -0.959 39.848 40.800 0.012 0.000 0.962 219 D HN 0.600 nan 8.370 nan 0.000 0.446 220 T N 0.678 115.231 114.554 -0.002 0.000 2.620 220 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 220 T C 2.098 176.768 174.700 -0.049 0.000 1.044 220 T CA 1.729 63.818 62.100 -0.018 0.000 1.161 220 T CB -0.866 67.999 68.868 -0.006 0.000 0.862 220 T HN 0.086 nan 8.240 nan 0.000 0.438 221 L N 1.569 122.758 121.223 -0.058 0.000 1.970 221 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 221 L C 2.678 179.497 176.870 -0.086 0.000 1.071 221 L CA 2.278 57.049 54.840 -0.114 0.000 0.751 221 L CB -0.914 41.092 42.059 -0.089 0.000 0.889 221 L HN 0.330 nan 8.230 nan 0.000 0.432 222 K N -0.293 120.085 120.400 -0.037 0.000 2.001 222 K HA -0.306 4.014 4.320 -0.000 0.000 0.214 222 K C 2.364 178.950 176.600 -0.022 0.000 1.050 222 K CA 2.269 58.545 56.287 -0.018 0.000 0.934 222 K CB -0.344 32.156 32.500 -0.001 0.000 0.718 222 K HN 0.329 nan 8.250 nan 0.000 0.443 223 K N 0.804 121.190 120.400 -0.023 0.000 2.218 223 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 223 K C 2.159 178.740 176.600 -0.031 0.000 1.046 223 K CA 1.274 57.548 56.287 -0.022 0.000 0.933 223 K CB -0.083 32.404 32.500 -0.021 0.000 0.728 223 K HN 0.290 nan 8.250 nan 0.000 0.454 224 L N 0.172 121.364 121.223 -0.052 0.000 2.095 224 L HA -0.117 4.223 4.340 -0.000 0.000 0.204 224 L C 1.990 178.823 176.870 -0.061 0.000 1.080 224 L CA 0.667 55.467 54.840 -0.066 0.000 0.759 224 L CB -0.033 41.953 42.059 -0.122 0.000 0.914 224 L HN -0.011 nan 8.230 nan 0.000 0.439 225 V N 0.149 120.024 119.914 -0.065 0.000 2.261 225 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 225 V C 2.204 178.310 176.094 0.020 0.000 1.047 225 V CA 2.131 64.411 62.300 -0.034 0.000 1.015 225 V CB -0.816 31.007 31.823 0.000 0.000 0.642 225 V HN 0.482 nan 8.190 nan 0.000 0.446 226 D N -0.003 120.412 120.400 0.025 0.000 2.170 226 D HA -0.221 4.419 4.640 -0.000 0.000 0.193 226 D C 1.986 178.303 176.300 0.028 0.000 1.004 226 D CA 1.652 55.673 54.000 0.034 0.000 0.860 226 D CB -0.191 40.614 40.800 0.008 0.000 0.931 226 D HN 0.347 nan 8.370 nan 0.000 0.448 227 L N 0.479 121.704 121.223 0.004 0.000 2.217 227 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 227 L C 2.242 179.107 176.870 -0.009 0.000 1.107 227 L CA 1.118 55.956 54.840 -0.004 0.000 0.783 227 L CB -0.252 41.800 42.059 -0.012 0.000 0.919 227 L HN 0.056 nan 8.230 nan 0.000 0.442 228 C N -1.294 117.993 119.300 -0.021 0.000 2.473 228 C HA -0.130 4.330 4.460 -0.000 0.000 0.279 228 C C 2.526 177.469 174.990 -0.078 0.000 1.250 228 C CA 0.336 59.314 59.018 -0.066 0.000 1.713 228 C CB -1.251 26.426 27.740 -0.106 0.000 2.066 228 C HN 0.541 nan 8.230 nan 0.000 0.474 229 H N 0.265 119.290 119.070 -0.076 0.000 2.568 229 H HA -0.064 4.492 4.556 -0.000 0.000 0.281 229 H C 1.897 177.182 175.328 -0.072 0.000 1.028 229 H CA 1.194 57.189 56.048 -0.089 0.000 1.199 229 H CB -0.043 29.669 29.762 -0.082 0.000 1.352 229 H HN 0.567 nan 8.280 nan 0.000 0.605 230 E N 0.278 120.506 120.200 0.047 0.000 2.244 230 E HA 0.058 4.408 4.350 -0.000 0.000 0.196 230 E C 1.571 178.167 176.600 -0.006 0.000 0.939 230 E CA 0.210 56.620 56.400 0.017 0.000 0.884 230 E CB 0.350 30.054 29.700 0.007 0.000 0.850 230 E HN 0.164 nan 8.360 nan 0.000 0.481 231 R N -0.228 120.260 120.500 -0.020 0.000 2.335 231 R HA 0.236 4.576 4.340 -0.000 0.000 0.223 231 R C 0.324 176.595 176.300 -0.048 0.000 0.940 231 R CA 0.509 56.591 56.100 -0.030 0.000 1.086 231 R CB 0.221 30.504 30.300 -0.029 0.000 1.073 231 R HN 0.199 nan 8.270 nan 0.000 0.504 232 G N 2.422 111.189 108.800 -0.055 0.000 2.333 232 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.296 232 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.296 232 G C -0.052 174.763 174.900 -0.142 0.000 1.059 232 G CA 0.313 45.363 45.100 -0.083 0.000 1.050 232 G HN 0.457 nan 8.290 nan 0.000 0.508 233 I N -2.051 118.393 120.570 -0.211 0.000 2.534 233 I HA 0.581 4.751 4.170 -0.000 0.000 0.286 233 I C 0.406 176.273 176.117 -0.417 0.000 1.094 233 I CA -1.562 59.581 61.300 -0.260 0.000 1.055 233 I CB 1.393 39.288 38.000 -0.175 0.000 1.225 233 I HN -0.104 nan 8.210 nan 0.000 0.435 234 R N 3.527 123.736 120.500 -0.484 0.000 2.840 234 R HA 0.663 5.003 4.340 -0.000 0.000 0.282 234 R C -0.473 175.639 176.300 -0.313 0.000 1.133 234 R CA -0.557 55.213 56.100 -0.550 0.000 1.208 234 R CB 0.946 30.864 30.300 -0.638 0.000 1.160 234 R HN 0.566 nan 8.270 nan 0.000 0.576 235 V N 0.835 120.657 119.914 -0.154 0.000 2.932 235 V HA 0.357 4.477 4.120 -0.000 0.000 0.307 235 V C -0.966 175.222 176.094 0.155 0.000 1.147 235 V CA -0.859 61.444 62.300 0.006 0.000 0.951 235 V CB 2.222 34.017 31.823 -0.047 0.000 1.031 235 V HN 0.403 nan 8.190 nan 0.000 0.426 236 L N 3.866 125.262 121.223 0.288 0.000 2.381 236 L HA 0.787 5.127 4.340 -0.000 0.000 0.268 236 L C -1.217 175.771 176.870 0.197 0.000 0.997 236 L CA -0.263 54.775 54.840 0.331 0.000 0.818 236 L CB 1.854 44.305 42.059 0.653 0.000 1.310 236 L HN 0.510 nan 8.230 nan 0.000 0.416 237 L N 2.802 123.977 121.223 -0.080 0.000 2.362 237 L HA 0.493 4.833 4.340 -0.000 0.000 0.271 237 L C -0.320 176.474 176.870 -0.128 0.000 1.002 237 L CA -0.434 54.270 54.840 -0.228 0.000 0.818 237 L CB 1.634 43.306 42.059 -0.644 0.000 1.298 237 L HN 0.465 nan 8.230 nan 0.000 0.420 238 D N 1.827 122.241 120.400 0.023 0.000 2.390 238 D HA 0.373 5.013 4.640 -0.000 0.000 0.249 238 D C -0.546 175.825 176.300 0.119 0.000 1.144 238 D CA 0.120 54.215 54.000 0.158 0.000 0.880 238 D CB 1.571 42.483 40.800 0.186 0.000 1.182 238 D HN 0.602 nan 8.370 nan 0.000 0.451 239 A N 3.996 126.988 122.820 0.286 0.000 2.540 239 A HA 0.314 4.634 4.320 -0.000 0.000 0.340 239 A C 0.198 177.986 177.584 0.339 0.000 1.424 239 A CA -0.671 51.587 52.037 0.367 0.000 0.940 239 A CB 0.332 19.270 19.000 -0.104 0.000 1.149 239 A HN 0.368 nan 8.150 nan 0.000 0.505 240 V N 3.280 123.351 119.914 0.260 0.000 2.159 240 V HA 0.008 4.128 4.120 -0.000 0.000 0.296 240 V C 0.214 176.434 176.094 0.210 0.000 1.762 240 V CA 0.401 62.727 62.300 0.042 0.000 1.708 240 V CB -1.765 29.927 31.823 -0.217 0.000 1.484 240 V HN 0.751 nan 8.190 nan 0.000 0.512 241 F N 1.361 121.248 119.950 -0.104 0.000 2.725 241 F HA 0.142 4.669 4.527 0.000 0.000 0.303 241 F C 1.678 177.267 175.800 -0.351 0.000 1.167 241 F CA 0.062 57.911 58.000 -0.251 0.000 1.403 241 F CB -0.764 37.952 39.000 -0.472 0.000 1.077 241 F HN 0.432 nan 8.300 nan 0.000 0.537 242 N N -0.655 118.002 118.700 -0.072 0.000 2.606 242 N HA -0.053 4.687 4.740 -0.000 0.000 0.208 242 N C 0.156 175.713 175.510 0.078 0.000 1.046 242 N CA 0.431 53.484 53.050 0.005 0.000 0.891 242 N CB 0.321 38.943 38.487 0.224 0.000 1.344 242 N HN 0.149 nan 8.380 nan 0.000 0.437 243 H N -1.157 117.916 119.070 0.003 0.000 2.679 243 H HA 0.626 5.182 4.556 -0.000 0.000 0.367 243 H C -1.108 174.235 175.328 0.025 0.000 1.162 243 H CA -1.057 54.997 56.048 0.010 0.000 1.181 243 H CB 1.023 30.792 29.762 0.011 0.000 1.693 243 H HN 0.126 nan 8.280 nan 0.000 0.538 244 S N 0.974 116.700 115.700 0.043 0.000 2.500 244 S HA 0.540 5.010 4.470 -0.000 0.000 0.301 244 S C 0.433 175.065 174.600 0.054 0.000 1.092 244 S CA -0.512 57.687 58.200 -0.002 0.000 1.030 244 S CB 1.544 64.601 63.200 -0.238 0.000 1.031 244 S HN 1.024 nan 8.310 nan 0.000 0.483 245 G N 1.622 110.488 108.800 0.110 0.000 2.391 245 G HA2 0.159 4.119 3.960 -0.000 0.000 0.234 245 G HA3 0.159 4.119 3.960 -0.000 0.000 0.234 245 G C 0.704 175.720 174.900 0.192 0.000 1.284 245 G CA -0.253 44.935 45.100 0.145 0.000 0.873 245 G HN 1.007 nan 8.290 nan 0.000 0.549 246 R N 0.911 121.524 120.500 0.188 0.000 2.153 246 R HA -0.186 4.154 4.340 -0.000 0.000 0.252 246 R C 2.487 179.047 176.300 0.434 0.000 1.158 246 R CA 2.695 59.005 56.100 0.351 0.000 0.975 246 R CB -0.720 29.788 30.300 0.346 0.000 0.871 246 R HN 0.586 nan 8.270 nan 0.000 0.450 247 T N 0.450 115.184 114.554 0.299 0.000 2.622 247 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 247 T C 0.546 175.431 174.700 0.309 0.000 1.047 247 T CA 1.076 63.328 62.100 0.254 0.000 1.159 247 T CB -0.562 68.430 68.868 0.207 0.000 0.863 247 T HN 0.339 nan 8.240 nan 0.000 0.422 248 F N 3.981 124.067 119.950 0.226 0.000 2.170 248 F HA -0.109 4.418 4.527 0.000 0.000 0.448 248 F C -1.628 174.310 175.800 0.230 0.000 0.865 248 F CA -1.921 56.244 58.000 0.274 0.000 1.057 248 F CB 0.045 39.255 39.000 0.350 0.000 0.824 248 F HN 0.058 nan 8.300 nan 0.000 0.514 249 P HA -0.247 nan 4.420 nan 0.000 0.214 249 P C -1.172 175.834 177.300 -0.490 0.000 1.164 249 P CA 2.765 65.593 63.100 -0.453 0.000 0.942 249 P CB -0.804 30.585 31.700 -0.517 0.000 0.791 250 P HA -0.218 nan 4.420 nan 0.000 0.218 250 P C 1.453 178.897 177.300 0.240 0.000 1.150 250 P CA 1.233 64.061 63.100 -0.455 0.000 0.841 250 P CB -0.511 31.032 31.700 -0.263 0.000 0.784 251 F N 0.134 120.191 119.950 0.178 0.000 2.060 251 F HA -0.166 4.361 4.527 0.000 0.000 0.295 251 F C 2.126 177.834 175.800 -0.152 0.000 1.120 251 F CA 1.004 58.920 58.000 -0.141 0.000 1.205 251 F CB -1.135 37.763 39.000 -0.169 0.000 0.986 251 F HN -0.311 nan 8.300 nan 0.000 0.470 252 V N 1.357 121.178 119.914 -0.155 0.000 2.252 252 V HA -0.444 3.676 4.120 -0.000 0.000 0.255 252 V C 2.535 178.460 176.094 -0.282 0.000 1.071 252 V CA 2.402 64.546 62.300 -0.261 0.000 1.050 252 V CB -1.052 30.679 31.823 -0.154 0.000 0.654 252 V HN 0.547 nan 8.190 nan 0.000 0.448 253 D N 0.365 120.616 120.400 -0.249 0.000 2.127 253 D HA -0.201 4.439 4.640 -0.000 0.000 0.190 253 D C 2.042 178.245 176.300 -0.162 0.000 1.000 253 D CA 2.544 56.411 54.000 -0.222 0.000 0.839 253 D CB -0.183 40.427 40.800 -0.317 0.000 0.955 253 D HN 0.328 nan 8.370 nan 0.000 0.446 254 V N 1.116 120.956 119.914 -0.124 0.000 2.392 254 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 254 V C 2.824 178.772 176.094 -0.243 0.000 1.059 254 V CA 1.379 63.617 62.300 -0.103 0.000 1.051 254 V CB -0.565 31.255 31.823 -0.004 0.000 0.658 254 V HN 0.266 nan 8.190 nan 0.000 0.455 255 L N -0.397 120.559 121.223 -0.444 0.000 1.973 255 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 255 L C 1.994 178.722 176.870 -0.237 0.000 1.073 255 L CA 1.639 56.219 54.840 -0.432 0.000 0.746 255 L CB -0.547 41.159 42.059 -0.588 0.000 0.891 255 L HN 0.191 nan 8.230 nan 0.000 0.433 256 K N 0.381 120.655 120.400 -0.211 0.000 2.665 256 K HA 0.048 4.368 4.320 -0.000 0.000 0.214 256 K C 0.321 176.858 176.600 -0.105 0.000 1.032 256 K CA 0.046 56.251 56.287 -0.137 0.000 1.198 256 K CB 0.016 32.440 32.500 -0.127 0.000 0.941 256 K HN 0.234 nan 8.250 nan 0.000 0.491 257 N N -0.703 117.937 118.700 -0.099 0.000 1.899 257 N HA 0.010 4.750 4.740 -0.000 0.000 0.223 257 N C 0.659 176.144 175.510 -0.042 0.000 1.411 257 N CA 0.718 53.731 53.050 -0.062 0.000 0.737 257 N CB 1.117 39.571 38.487 -0.054 0.000 1.100 257 N HN 0.278 nan 8.380 nan 0.000 0.527 258 G N 2.228 110.993 108.800 -0.058 0.000 2.698 258 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.337 258 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.337 258 G C 0.840 175.740 174.900 -0.001 0.000 1.286 258 G CA 1.202 46.283 45.100 -0.032 0.000 1.000 258 G HN 0.421 nan 8.290 nan 0.000 0.547 259 E N 0.370 120.579 120.200 0.014 0.000 2.001 259 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 259 E C 2.527 179.146 176.600 0.032 0.000 1.002 259 E CA 1.368 57.786 56.400 0.031 0.000 0.819 259 E CB -0.249 29.469 29.700 0.029 0.000 0.769 259 E HN 0.538 nan 8.360 nan 0.000 0.454 260 K N 0.788 121.201 120.400 0.021 0.000 2.374 260 K HA -0.100 4.220 4.320 -0.000 0.000 0.202 260 K C 0.637 177.254 176.600 0.029 0.000 1.044 260 K CA 0.518 56.817 56.287 0.020 0.000 0.933 260 K CB -0.281 32.224 32.500 0.010 0.000 0.745 260 K HN 0.042 nan 8.250 nan 0.000 0.474 261 S N 1.403 117.123 115.700 0.033 0.000 2.715 261 S HA -0.107 4.363 4.470 -0.000 0.000 0.318 261 S C 1.003 175.658 174.600 0.091 0.000 1.242 261 S CA 0.244 58.479 58.200 0.058 0.000 1.044 261 S CB 0.802 64.041 63.200 0.066 0.000 0.760 261 S HN 0.290 nan 8.310 nan 0.000 0.501 262 K N 1.931 122.412 120.400 0.135 0.000 2.432 262 K HA -0.013 4.307 4.320 -0.000 0.000 0.196 262 K C -0.207 176.358 176.600 -0.057 0.000 1.038 262 K CA 0.952 57.283 56.287 0.074 0.000 0.986 262 K CB 0.044 32.598 32.500 0.090 0.000 0.782 262 K HN 0.691 nan 8.250 nan 0.000 0.485 263 Y N 0.666 120.896 120.300 -0.117 0.000 2.756 263 Y HA 0.183 4.733 4.550 -0.000 0.000 0.300 263 Y C 1.293 177.237 175.900 0.073 0.000 1.113 263 Y CA -0.564 57.431 58.100 -0.175 0.000 1.291 263 Y CB 0.251 38.495 38.460 -0.361 0.000 1.175 263 Y HN -0.019 nan 8.280 nan 0.000 0.534 264 K N 0.530 121.030 120.400 0.168 0.000 2.074 264 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 264 K C 0.376 177.090 176.600 0.191 0.000 1.048 264 K CA 2.428 58.827 56.287 0.187 0.000 0.926 264 K CB 0.057 32.625 32.500 0.113 0.000 0.713 264 K HN 0.255 nan 8.250 nan 0.000 0.444 265 D N -1.141 119.319 120.400 0.099 0.000 2.339 265 D HA 0.000 4.640 4.640 -0.000 0.000 0.217 265 D C 0.635 176.856 176.300 -0.131 0.000 1.050 265 D CA 0.085 54.105 54.000 0.033 0.000 0.856 265 D CB 0.007 40.854 40.800 0.078 0.000 0.922 265 D HN 0.295 nan 8.370 nan 0.000 0.518 266 W N 0.141 121.107 121.300 -0.557 0.000 2.538 266 W HA -0.006 4.654 4.660 0.000 0.000 0.254 266 W C 0.306 176.208 176.519 -1.028 0.000 1.249 266 W CA 0.708 57.467 57.345 -0.977 0.000 1.253 266 W CB -0.157 28.657 29.460 -1.077 0.000 1.130 266 W HN -0.040 nan 8.180 nan 0.000 0.618 267 F N -3.029 117.027 119.950 0.176 0.000 2.669 267 F HA 0.368 4.895 4.527 -0.000 0.000 0.172 267 F C -0.589 175.257 175.800 0.076 0.000 1.502 267 F CA -0.866 57.279 58.000 0.242 0.000 1.099 267 F CB -0.087 39.108 39.000 0.325 0.000 1.945 267 F HN -0.527 nan 8.300 nan 0.000 0.181 268 H N 0.534 119.855 119.070 0.419 0.000 3.240 268 H HA 0.445 5.001 4.556 0.000 0.000 0.326 268 H C -0.890 174.607 175.328 0.281 0.000 1.015 268 H CA -0.742 55.467 56.048 0.269 0.000 1.504 268 H CB 1.126 31.009 29.762 0.203 0.000 1.754 268 H HN 0.418 nan 8.280 nan 0.000 0.505 269 I N -0.206 120.539 120.570 0.290 0.000 2.428 269 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 269 I C 0.312 176.557 176.117 0.212 0.000 1.019 269 I CA -0.297 61.153 61.300 0.250 0.000 1.351 269 I CB 1.751 39.861 38.000 0.184 0.000 1.412 269 I HN 0.519 nan 8.210 nan 0.000 0.513 270 R N 2.929 123.554 120.500 0.209 0.000 2.444 270 R HA 0.232 4.572 4.340 -0.000 0.000 0.201 270 R C 0.283 176.663 176.300 0.134 0.000 0.861 270 R CA 0.022 56.219 56.100 0.162 0.000 1.034 270 R CB 0.648 31.045 30.300 0.162 0.000 1.347 270 R HN 0.752 nan 8.270 nan 0.000 0.659 271 S N 0.247 116.036 115.700 0.149 0.000 2.557 271 S HA 0.342 4.812 4.470 -0.000 0.000 0.291 271 S C 1.022 175.687 174.600 0.108 0.000 1.116 271 S CA -0.630 57.640 58.200 0.117 0.000 0.992 271 S CB 1.362 64.631 63.200 0.115 0.000 1.028 271 S HN 0.173 nan 8.310 nan 0.000 0.484 272 L N 2.871 124.142 121.223 0.080 0.000 1.976 272 L HA -0.053 4.287 4.340 -0.000 0.000 0.223 272 L C -1.361 175.544 176.870 0.057 0.000 1.081 272 L CA 1.367 56.245 54.840 0.063 0.000 0.784 272 L CB -1.638 40.449 42.059 0.047 0.000 0.896 272 L HN 0.473 nan 8.230 nan 0.000 0.438 273 P HA 0.035 nan 4.420 nan 0.000 0.274 273 P C -0.226 177.118 177.300 0.074 0.000 1.246 273 P CA -0.134 62.994 63.100 0.047 0.000 0.795 273 P CB 0.479 32.206 31.700 0.046 0.000 1.006 274 L N 0.404 121.656 121.223 0.047 0.000 2.912 274 L HA 0.255 4.595 4.340 -0.000 0.000 0.240 274 L C 0.730 177.705 176.870 0.175 0.000 1.262 274 L CA 0.350 55.241 54.840 0.085 0.000 1.058 274 L CB -1.589 40.403 42.059 -0.112 0.000 1.383 274 L HN 0.419 nan 8.230 nan 0.000 0.512 275 E N -0.637 119.647 120.200 0.141 0.000 2.391 275 E HA 0.325 4.675 4.350 -0.000 0.000 0.255 275 E C 0.384 177.080 176.600 0.159 0.000 1.187 275 E CA -0.225 56.252 56.400 0.127 0.000 0.941 275 E CB 1.907 31.655 29.700 0.081 0.000 1.010 275 E HN -0.065 nan 8.360 nan 0.000 0.458 276 V N -0.294 119.691 119.914 0.117 0.000 3.742 276 V HA -0.122 3.998 4.120 -0.000 0.000 0.178 276 V C 1.093 177.219 176.094 0.054 0.000 1.450 276 V CA 0.427 62.779 62.300 0.086 0.000 1.165 276 V CB -0.080 31.800 31.823 0.095 0.000 1.156 276 V HN 0.637 nan 8.190 nan 0.000 0.565 277 V N 0.873 120.823 119.914 0.059 0.000 0.671 277 V HA -0.519 3.601 4.120 -0.000 0.000 0.092 277 V C 1.479 177.587 176.094 0.023 0.000 1.074 277 V CA 3.045 65.370 62.300 0.040 0.000 3.161 277 V CB -1.172 30.671 31.823 0.032 0.000 0.350 277 V HN 0.816 nan 8.190 nan 0.000 0.326 278 D N -0.958 119.447 120.400 0.009 0.000 2.480 278 D HA 0.289 4.929 4.640 -0.000 0.000 0.243 278 D C 1.367 177.650 176.300 -0.028 0.000 1.120 278 D CA 1.132 55.124 54.000 -0.012 0.000 0.835 278 D CB 0.528 41.321 40.800 -0.012 0.000 1.204 278 D HN 0.689 nan 8.370 nan 0.000 0.513 279 G N 0.689 109.481 108.800 -0.013 0.000 2.620 279 G HA2 0.181 4.141 3.960 -0.000 0.000 0.180 279 G HA3 0.181 4.141 3.960 -0.000 0.000 0.180 279 G C 0.260 175.137 174.900 -0.038 0.000 1.545 279 G CA 0.542 45.631 45.100 -0.020 0.000 0.866 279 G HN 0.261 nan 8.290 nan 0.000 0.432 280 I N -0.137 120.426 120.570 -0.011 0.000 2.775 280 I HA 0.263 4.433 4.170 -0.000 0.000 0.295 280 I C -2.673 173.450 176.117 0.010 0.000 1.287 280 I CA -1.892 59.404 61.300 -0.007 0.000 1.029 280 I CB 2.912 40.916 38.000 0.007 0.000 1.282 280 I HN 0.063 nan 8.210 nan 0.000 0.426 281 P HA -0.066 nan 4.420 nan 0.000 0.253 281 P C 0.894 178.082 177.300 -0.186 0.000 1.170 281 P CA 0.461 63.418 63.100 -0.237 0.000 0.806 281 P CB 0.253 31.720 31.700 -0.387 0.000 0.775 282 T N 2.940 117.513 114.554 0.032 0.000 3.202 282 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 282 T C 0.057 174.966 174.700 0.348 0.000 1.183 282 T CA 0.762 62.991 62.100 0.216 0.000 1.055 282 T CB -1.059 67.985 68.868 0.293 0.000 0.898 282 T HN 0.342 nan 8.240 nan 0.000 0.555 283 Y N -1.966 118.416 120.300 0.137 0.000 2.513 283 Y HA 0.605 5.155 4.550 0.000 0.000 0.340 283 Y C -0.837 175.117 175.900 0.089 0.000 1.055 283 Y CA -2.874 55.316 58.100 0.150 0.000 1.020 283 Y CB 0.133 38.711 38.460 0.196 0.000 1.301 283 Y HN -0.159 nan 8.280 nan 0.000 0.453 284 D N 2.633 123.124 120.400 0.152 0.000 2.402 284 D HA 0.260 4.900 4.640 -0.000 0.000 0.268 284 D C 0.320 176.587 176.300 -0.055 0.000 1.294 284 D CA 0.855 54.830 54.000 -0.043 0.000 0.945 284 D CB 0.622 41.336 40.800 -0.144 0.000 1.112 284 D HN 0.770 nan 8.370 nan 0.000 0.517 285 T N -0.507 113.939 114.554 -0.180 0.000 2.922 285 T HA 0.303 4.653 4.350 -0.000 0.000 0.281 285 T C 0.893 175.485 174.700 -0.180 0.000 1.005 285 T CA -0.940 61.079 62.100 -0.135 0.000 0.982 285 T CB 0.717 69.472 68.868 -0.189 0.000 1.158 285 T HN 0.161 nan 8.240 nan 0.000 0.566 286 F N 1.550 121.328 119.950 -0.288 0.000 2.024 286 F HA 0.018 4.545 4.527 -0.000 0.000 0.301 286 F C 2.201 177.751 175.800 -0.416 0.000 1.256 286 F CA 2.214 59.960 58.000 -0.423 0.000 1.205 286 F CB -1.214 37.469 39.000 -0.528 0.000 0.943 286 F HN 0.737 nan 8.300 nan 0.000 0.529 287 A N -1.530 120.559 122.820 -1.219 0.000 2.051 287 A HA 0.323 4.643 4.320 -0.000 0.000 0.218 287 A C 0.384 177.343 177.584 -1.042 0.000 1.575 287 A CA 0.754 52.052 52.037 -1.231 0.000 0.700 287 A CB -0.345 17.924 19.000 -1.220 0.000 1.245 287 A HN 0.490 nan 8.150 nan 0.000 0.536 288 F N -0.597 119.176 119.950 -0.294 0.000 2.554 288 F HA 0.307 4.834 4.527 -0.000 0.000 0.387 288 F C -0.546 175.201 175.800 -0.088 0.000 1.462 288 F CA -0.356 57.539 58.000 -0.176 0.000 1.072 288 F CB 1.107 40.011 39.000 -0.159 0.000 1.894 288 F HN 0.184 nan 8.300 nan 0.000 0.506 289 E N 1.511 121.754 120.200 0.072 0.000 2.255 289 E HA 0.435 4.785 4.350 -0.000 0.000 0.245 289 E C -2.157 174.504 176.600 0.102 0.000 0.909 289 E CA -2.503 53.972 56.400 0.125 0.000 0.747 289 E CB 1.413 31.233 29.700 0.200 0.000 1.215 289 E HN -0.041 nan 8.360 nan 0.000 0.424 290 P HA -0.175 nan 4.420 nan 0.000 0.217 290 P C 0.367 177.858 177.300 0.317 0.000 1.148 290 P CA 0.900 64.109 63.100 0.182 0.000 0.834 290 P CB 0.179 32.029 31.700 0.250 0.000 0.783 291 L N -2.117 119.247 121.223 0.236 0.000 2.798 291 L HA 0.055 4.395 4.340 -0.000 0.000 0.254 291 L C 0.817 177.781 176.870 0.156 0.000 1.176 291 L CA 1.476 56.446 54.840 0.217 0.000 0.991 291 L CB -1.225 40.955 42.059 0.202 0.000 1.225 291 L HN 0.018 nan 8.230 nan 0.000 0.420 292 M N -0.483 119.187 119.600 0.117 0.000 2.663 292 M HA 0.250 4.730 4.480 -0.000 0.000 0.252 292 M C -2.663 173.677 176.300 0.067 0.000 1.173 292 M CA -0.924 54.441 55.300 0.108 0.000 0.838 292 M CB 1.918 34.628 32.600 0.182 0.000 2.811 292 M HN -0.217 nan 8.290 nan 0.000 0.382 293 P HA 0.170 nan 4.420 nan 0.000 0.278 293 P C -0.983 176.379 177.300 0.104 0.000 1.238 293 P CA -0.372 62.710 63.100 -0.031 0.000 0.794 293 P CB 0.737 32.111 31.700 -0.543 0.000 0.955 294 K N 3.235 123.725 120.400 0.150 0.000 2.276 294 K HA 0.207 4.527 4.320 -0.000 0.000 0.283 294 K C -0.391 176.374 176.600 0.275 0.000 1.044 294 K CA -0.505 55.861 56.287 0.132 0.000 0.944 294 K CB 0.218 32.679 32.500 -0.064 0.000 1.012 294 K HN 0.359 nan 8.250 nan 0.000 0.472 295 L N 3.765 125.094 121.223 0.176 0.000 2.380 295 L HA 0.052 4.392 4.340 -0.000 0.000 0.273 295 L C 0.777 177.719 176.870 0.121 0.000 1.138 295 L CA 0.449 55.355 54.840 0.111 0.000 0.832 295 L CB 0.462 42.429 42.059 -0.153 0.000 1.124 295 L HN 0.799 nan 8.230 nan 0.000 0.454 296 N N 1.274 119.993 118.700 0.031 0.000 2.892 296 N HA -0.032 4.708 4.740 -0.000 0.000 0.300 296 N C 0.719 176.162 175.510 -0.111 0.000 1.211 296 N CA -0.265 52.777 53.050 -0.014 0.000 1.158 296 N CB 0.320 38.650 38.487 -0.263 0.000 1.455 296 N HN 0.580 nan 8.380 nan 0.000 0.524 297 T N 0.318 114.802 114.554 -0.116 0.000 2.896 297 T HA -0.239 4.111 4.350 -0.000 0.000 0.270 297 T C 1.378 176.028 174.700 -0.082 0.000 1.104 297 T CA 1.205 63.166 62.100 -0.233 0.000 1.115 297 T CB -0.078 68.557 68.868 -0.388 0.000 0.843 297 T HN 0.644 nan 8.240 nan 0.000 0.523 298 E N 0.424 120.600 120.200 -0.040 0.000 2.230 298 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 298 E C 0.715 177.288 176.600 -0.046 0.000 0.987 298 E CA -0.134 56.257 56.400 -0.015 0.000 0.841 298 E CB -0.006 29.694 29.700 -0.001 0.000 0.783 298 E HN 0.654 nan 8.360 nan 0.000 0.481 299 H N 1.819 120.783 119.070 -0.177 0.000 3.034 299 H HA -0.017 4.539 4.556 -0.000 0.000 0.324 299 H C -1.535 173.668 175.328 -0.210 0.000 1.015 299 H CA -0.631 55.280 56.048 -0.228 0.000 1.429 299 H CB 1.142 30.669 29.762 -0.392 0.000 1.429 299 H HN 0.001 nan 8.280 nan 0.000 0.585 300 P HA -0.236 nan 4.420 nan 0.000 0.212 300 P C 0.772 177.978 177.300 -0.157 0.000 1.178 300 P CA 1.614 64.525 63.100 -0.314 0.000 0.915 300 P CB 0.372 31.868 31.700 -0.340 0.000 0.788 301 D N -0.214 120.123 120.400 -0.105 0.000 2.104 301 D HA -0.110 4.530 4.640 -0.000 0.000 0.194 301 D C 2.214 178.476 176.300 -0.063 0.000 0.994 301 D CA 1.012 55.084 54.000 0.121 0.000 0.830 301 D CB -0.906 40.156 40.800 0.437 0.000 0.959 301 D HN 0.000 nan 8.370 nan 0.000 0.452 302 V N 1.612 121.305 119.914 -0.368 0.000 2.324 302 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 302 V C 2.352 178.325 176.094 -0.202 0.000 1.060 302 V CA 1.724 63.568 62.300 -0.760 0.000 1.042 302 V CB -0.432 30.895 31.823 -0.826 0.000 0.650 302 V HN 0.208 nan 8.190 nan 0.000 0.450 303 K N -0.103 120.273 120.400 -0.040 0.000 1.971 303 K HA -0.299 4.021 4.320 -0.000 0.000 0.221 303 K C 2.183 178.882 176.600 0.164 0.000 1.050 303 K CA 2.088 58.465 56.287 0.149 0.000 0.967 303 K CB -0.441 32.102 32.500 0.073 0.000 0.733 303 K HN 0.386 nan 8.250 nan 0.000 0.445 304 E N 0.569 120.837 120.200 0.114 0.000 2.113 304 E HA -0.293 4.057 4.350 -0.000 0.000 0.210 304 E C 1.845 178.599 176.600 0.257 0.000 1.040 304 E CA 1.796 58.289 56.400 0.155 0.000 0.847 304 E CB -0.553 29.236 29.700 0.148 0.000 0.755 304 E HN 0.347 nan 8.360 nan 0.000 0.459 305 Y N 0.610 121.004 120.300 0.156 0.000 1.977 305 Y HA -0.294 4.256 4.550 0.000 0.000 0.264 305 Y C 2.158 178.191 175.900 0.221 0.000 1.167 305 Y CA 2.506 60.769 58.100 0.271 0.000 1.102 305 Y CB -0.771 37.812 38.460 0.205 0.000 0.948 305 Y HN 0.124 nan 8.280 nan 0.000 0.489 306 L N -0.733 120.493 121.223 0.005 0.000 2.042 306 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 306 L C 2.516 179.539 176.870 0.256 0.000 1.076 306 L CA 1.251 55.963 54.840 -0.213 0.000 0.749 306 L CB -0.826 41.087 42.059 -0.243 0.000 0.893 306 L HN 0.330 nan 8.230 nan 0.000 0.432 307 L N -0.389 121.008 121.223 0.291 0.000 1.921 307 L HA -0.241 4.099 4.340 -0.000 0.000 0.219 307 L C 2.735 179.739 176.870 0.223 0.000 1.081 307 L CA 1.326 56.291 54.840 0.208 0.000 0.771 307 L CB -0.743 41.358 42.059 0.071 0.000 0.888 307 L HN 0.167 nan 8.230 nan 0.000 0.433 308 K N 0.213 120.751 120.400 0.231 0.000 2.228 308 K HA -0.214 4.106 4.320 -0.000 0.000 0.205 308 K C 1.984 178.820 176.600 0.393 0.000 1.045 308 K CA 1.517 57.980 56.287 0.293 0.000 0.931 308 K CB -0.643 32.044 32.500 0.311 0.000 0.727 308 K HN 0.430 nan 8.250 nan 0.000 0.458 309 A N 1.406 124.394 122.820 0.280 0.000 1.835 309 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 309 A C 2.462 180.353 177.584 0.511 0.000 1.199 309 A CA 2.265 54.357 52.037 0.092 0.000 0.615 309 A CB -0.963 17.857 19.000 -0.300 0.000 0.838 309 A HN 0.287 nan 8.150 nan 0.000 0.444 310 A N 0.816 123.853 122.820 0.361 0.000 1.881 310 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 310 A C 2.051 179.870 177.584 0.392 0.000 1.215 310 A CA 2.477 54.500 52.037 -0.023 0.000 0.648 310 A CB -0.997 17.965 19.000 -0.063 0.000 0.832 310 A HN 0.813 nan 8.150 nan 0.000 0.455 311 E N -1.386 118.998 120.200 0.308 0.000 2.110 311 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 311 E C 1.978 178.845 176.600 0.444 0.000 0.988 311 E CA 1.254 57.845 56.400 0.318 0.000 0.804 311 E CB -0.818 28.998 29.700 0.194 0.000 0.745 311 E HN 0.800 nan 8.360 nan 0.000 0.458 312 Y N 1.293 121.777 120.300 0.307 0.000 1.911 312 Y HA -0.403 4.147 4.550 0.000 0.000 0.244 312 Y C 2.055 178.042 175.900 0.145 0.000 1.139 312 Y CA 2.296 60.490 58.100 0.158 0.000 1.070 312 Y CB -0.570 37.901 38.460 0.019 0.000 0.919 312 Y HN 0.061 nan 8.280 nan 0.000 0.497 313 W N 0.755 122.060 121.300 0.008 0.000 2.304 313 W HA -0.288 4.372 4.660 -0.000 0.000 0.315 313 W C 2.394 178.968 176.519 0.092 0.000 1.233 313 W CA 1.806 59.060 57.345 -0.152 0.000 1.261 313 W CB -1.077 28.390 29.460 0.011 0.000 1.150 313 W HN 0.184 nan 8.180 nan 0.000 0.494 314 I N 0.062 120.951 120.570 0.531 0.000 2.118 314 I HA -0.384 3.786 4.170 -0.000 0.000 0.241 314 I C 2.713 178.983 176.117 0.255 0.000 1.070 314 I CA 2.010 63.546 61.300 0.393 0.000 1.327 314 I CB -0.859 37.408 38.000 0.444 0.000 1.034 314 I HN 0.026 nan 8.210 nan 0.000 0.405 315 R N 1.044 121.697 120.500 0.256 0.000 2.082 315 R HA -0.210 4.130 4.340 -0.000 0.000 0.234 315 R C 2.151 178.540 176.300 0.149 0.000 1.136 315 R CA 2.190 58.407 56.100 0.194 0.000 0.935 315 R CB -0.087 30.347 30.300 0.224 0.000 0.842 315 R HN 0.457 nan 8.270 nan 0.000 0.430 316 E N -1.378 118.909 120.200 0.145 0.000 2.127 316 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 316 E C 1.909 178.536 176.600 0.045 0.000 0.964 316 E CA 1.237 57.693 56.400 0.094 0.000 0.832 316 E CB 0.182 29.972 29.700 0.151 0.000 0.790 316 E HN 0.323 nan 8.360 nan 0.000 0.465 317 T N -0.176 114.394 114.554 0.027 0.000 2.951 317 T HA -0.003 4.347 4.350 -0.000 0.000 0.268 317 T C 1.407 176.151 174.700 0.075 0.000 1.073 317 T CA 0.990 63.121 62.100 0.052 0.000 1.134 317 T CB -0.179 68.752 68.868 0.106 0.000 0.884 317 T HN 0.460 nan 8.240 nan 0.000 0.479 318 G N 2.398 111.262 108.800 0.106 0.000 2.198 318 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 318 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 318 G C 0.354 175.348 174.900 0.157 0.000 1.025 318 G CA 0.342 45.509 45.100 0.112 0.000 0.769 318 G HN 0.784 nan 8.290 nan 0.000 0.507 319 I N -3.625 117.029 120.570 0.139 0.000 3.543 319 I HA 0.241 4.411 4.170 -0.000 0.000 0.262 319 I C 0.708 176.926 176.117 0.168 0.000 1.301 319 I CA 0.336 61.696 61.300 0.100 0.000 1.242 319 I CB 0.394 38.396 38.000 0.004 0.000 1.402 319 I HN -0.061 nan 8.210 nan 0.000 0.671 320 D N 1.125 121.615 120.400 0.150 0.000 2.402 320 D HA 0.355 4.995 4.640 -0.000 0.000 0.216 320 D C 0.467 177.031 176.300 0.441 0.000 1.128 320 D CA 0.491 54.643 54.000 0.254 0.000 0.833 320 D CB 0.983 41.832 40.800 0.083 0.000 0.971 320 D HN 0.886 nan 8.370 nan 0.000 0.503 321 G N 0.372 109.373 108.800 0.335 0.000 2.361 321 G HA2 0.140 4.100 3.960 -0.000 0.000 0.305 321 G HA3 0.140 4.100 3.960 -0.000 0.000 0.305 321 G C -2.171 172.863 174.900 0.223 0.000 1.367 321 G CA -1.148 44.200 45.100 0.414 0.000 0.951 321 G HN 0.001 nan 8.290 nan 0.000 0.615 322 W N 0.392 121.799 121.300 0.177 0.000 2.632 322 W HA 0.805 5.465 4.660 -0.000 0.000 0.328 322 W C 0.261 176.723 176.519 -0.094 0.000 1.044 322 W CA -0.808 56.596 57.345 0.098 0.000 1.225 322 W CB 1.925 31.474 29.460 0.148 0.000 1.396 322 W HN 0.486 nan 8.180 nan 0.000 0.499 323 R N 3.081 123.644 120.500 0.105 0.000 2.474 323 R HA 0.521 4.861 4.340 -0.000 0.000 0.295 323 R C -1.112 175.115 176.300 -0.122 0.000 0.980 323 R CA -0.798 55.196 56.100 -0.177 0.000 0.934 323 R CB 0.957 31.151 30.300 -0.178 0.000 1.101 323 R HN 0.702 nan 8.270 nan 0.000 0.469 324 L N 5.887 126.899 121.223 -0.350 0.000 2.287 324 L HA 0.133 4.473 4.340 -0.000 0.000 0.280 324 L C 1.609 178.374 176.870 -0.175 0.000 1.055 324 L CA -0.599 54.057 54.840 -0.306 0.000 0.863 324 L CB 1.169 42.833 42.059 -0.660 0.000 1.245 324 L HN 0.753 nan 8.230 nan 0.000 0.432 325 D N 2.519 122.918 120.400 -0.002 0.000 2.569 325 D HA -0.256 4.384 4.640 -0.000 0.000 0.191 325 D C 0.413 176.706 176.300 -0.012 0.000 1.042 325 D CA 1.791 55.813 54.000 0.038 0.000 0.873 325 D CB 0.031 40.855 40.800 0.039 0.000 0.946 325 D HN 0.235 nan 8.370 nan 0.000 0.467 326 V N 0.092 120.013 119.914 0.013 0.000 2.663 326 V HA 0.514 4.634 4.120 -0.000 0.000 0.286 326 V C 0.571 176.707 176.094 0.070 0.000 1.085 326 V CA -0.200 62.127 62.300 0.044 0.000 0.916 326 V CB 1.264 33.158 31.823 0.118 0.000 1.039 326 V HN 0.467 nan 8.190 nan 0.000 0.453 327 A N 3.577 126.355 122.820 -0.071 0.000 2.085 327 A HA 0.076 4.396 4.320 -0.000 0.000 0.208 327 A C 1.337 178.946 177.584 0.040 0.000 1.191 327 A CA 0.799 52.845 52.037 0.014 0.000 0.799 327 A CB -0.221 18.390 19.000 -0.648 0.000 0.877 327 A HN 0.948 nan 8.150 nan 0.000 0.473 328 N N -0.177 118.425 118.700 -0.164 0.000 2.648 328 N HA -0.039 4.701 4.740 -0.000 0.000 0.210 328 N C 0.068 175.727 175.510 0.249 0.000 1.464 328 N CA 0.686 53.738 53.050 0.004 0.000 0.890 328 N CB -0.068 38.431 38.487 0.021 0.000 1.179 328 N HN 0.591 nan 8.380 nan 0.000 0.476 329 E N -0.616 119.721 120.200 0.228 0.000 2.671 329 E HA 0.091 4.441 4.350 -0.000 0.000 0.204 329 E C -0.937 175.734 176.600 0.119 0.000 0.940 329 E CA -0.141 56.357 56.400 0.162 0.000 1.328 329 E CB 1.094 30.858 29.700 0.107 0.000 1.214 329 E HN 0.105 nan 8.360 nan 0.000 0.624 330 V N 2.696 122.738 119.914 0.212 0.000 2.483 330 V HA 0.157 4.277 4.120 -0.000 0.000 0.295 330 V C 0.492 176.505 176.094 -0.134 0.000 1.035 330 V CA -0.825 61.457 62.300 -0.030 0.000 0.896 330 V CB 1.636 33.318 31.823 -0.235 0.000 0.986 330 V HN 0.338 nan 8.190 nan 0.000 0.447 331 S N 4.078 119.637 115.700 -0.235 0.000 2.817 331 S HA -0.133 4.337 4.470 -0.000 0.000 0.333 331 S C 1.014 175.574 174.600 -0.067 0.000 1.227 331 S CA 0.319 58.438 58.200 -0.135 0.000 1.027 331 S CB -0.112 63.046 63.200 -0.069 0.000 0.732 331 S HN 0.771 nan 8.310 nan 0.000 0.499 332 H N 2.003 121.265 119.070 0.319 0.000 2.457 332 H HA -0.066 4.490 4.556 -0.000 0.000 0.294 332 H C 2.104 177.624 175.328 0.320 0.000 1.064 332 H CA 1.648 57.977 56.048 0.468 0.000 1.330 332 H CB -0.173 29.731 29.762 0.237 0.000 1.395 332 H HN 0.786 nan 8.280 nan 0.000 0.541 333 Q N 0.908 120.872 119.800 0.272 0.000 1.967 333 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 333 Q C 2.240 178.350 176.000 0.183 0.000 0.985 333 Q CA 1.372 57.288 55.803 0.187 0.000 0.839 333 Q CB -0.963 27.846 28.738 0.118 0.000 0.906 333 Q HN 0.331 nan 8.270 nan 0.000 0.423 334 F N -0.541 119.370 119.950 -0.065 0.000 2.147 334 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 334 F C 1.588 177.394 175.800 0.010 0.000 1.084 334 F CA 1.902 59.822 58.000 -0.133 0.000 1.268 334 F CB -0.603 38.167 39.000 -0.383 0.000 1.009 334 F HN 0.237 nan 8.300 nan 0.000 0.486 335 W N 0.466 122.040 121.300 0.456 0.000 2.342 335 W HA -0.216 4.444 4.660 0.000 0.000 0.297 335 W C 2.570 179.257 176.519 0.280 0.000 1.213 335 W CA 0.581 58.168 57.345 0.404 0.000 1.251 335 W CB -0.277 29.400 29.460 0.362 0.000 1.136 335 W HN -0.163 nan 8.180 nan 0.000 0.526 336 R N 0.730 121.469 120.500 0.399 0.000 2.082 336 R HA -0.142 4.198 4.340 -0.000 0.000 0.228 336 R C 1.786 178.164 176.300 0.130 0.000 1.140 336 R CA 1.723 57.950 56.100 0.212 0.000 0.920 336 R CB -1.351 29.030 30.300 0.135 0.000 0.828 336 R HN 0.339 nan 8.270 nan 0.000 0.430 337 E N 0.213 120.438 120.200 0.042 0.000 2.147 337 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 337 E C 1.811 178.359 176.600 -0.086 0.000 1.005 337 E CA 1.329 57.694 56.400 -0.058 0.000 0.810 337 E CB -0.391 29.225 29.700 -0.139 0.000 0.736 337 E HN 0.181 nan 8.360 nan 0.000 0.460 338 F N 1.938 121.733 119.950 -0.260 0.000 2.025 338 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 338 F C 2.503 178.272 175.800 -0.051 0.000 1.132 338 F CA 2.064 59.928 58.000 -0.228 0.000 1.191 338 F CB -0.372 38.629 39.000 0.002 0.000 0.963 338 F HN -0.210 nan 8.300 nan 0.000 0.481 339 R N -0.066 120.407 120.500 -0.045 0.000 2.122 339 R HA -0.295 4.045 4.340 -0.000 0.000 0.236 339 R C 2.455 178.653 176.300 -0.170 0.000 1.129 339 R CA 2.196 58.206 56.100 -0.151 0.000 0.925 339 R CB -0.538 29.784 30.300 0.036 0.000 0.850 339 R HN 0.185 nan 8.270 nan 0.000 0.431 340 R N 0.018 120.466 120.500 -0.085 0.000 2.159 340 R HA -0.200 4.140 4.340 -0.000 0.000 0.252 340 R C 2.020 178.264 176.300 -0.093 0.000 1.144 340 R CA 2.310 58.370 56.100 -0.067 0.000 0.961 340 R CB -0.860 29.414 30.300 -0.044 0.000 0.877 340 R HN 0.222 nan 8.270 nan 0.000 0.444 341 V N 0.053 119.881 119.914 -0.143 0.000 2.223 341 V HA -0.246 3.874 4.120 -0.000 0.000 0.244 341 V C 2.228 178.229 176.094 -0.154 0.000 1.045 341 V CA 1.908 64.125 62.300 -0.138 0.000 1.000 341 V CB -0.864 30.862 31.823 -0.162 0.000 0.635 341 V HN 0.477 nan 8.190 nan 0.000 0.445 342 V N -1.903 117.816 119.914 -0.326 0.000 3.284 342 V HA -0.128 3.992 4.120 -0.000 0.000 0.273 342 V C 2.058 178.102 176.094 -0.084 0.000 1.178 342 V CA 1.628 63.778 62.300 -0.250 0.000 1.177 342 V CB -0.897 30.610 31.823 -0.527 0.000 0.793 342 V HN 0.411 nan 8.190 nan 0.000 0.536 343 K N 0.420 120.774 120.400 -0.078 0.000 2.190 343 K HA 0.081 4.401 4.320 -0.000 0.000 0.202 343 K C 2.064 178.675 176.600 0.017 0.000 1.045 343 K CA 1.262 57.544 56.287 -0.008 0.000 0.976 343 K CB -0.279 32.210 32.500 -0.018 0.000 0.849 343 K HN 0.600 nan 8.250 nan 0.000 0.468 344 Q N 0.358 120.158 119.800 0.001 0.000 2.541 344 Q HA 0.017 4.357 4.340 -0.000 0.000 0.215 344 Q C 1.233 177.256 176.000 0.038 0.000 0.977 344 Q CA 0.661 56.475 55.803 0.019 0.000 0.934 344 Q CB 0.199 28.942 28.738 0.009 0.000 0.988 344 Q HN 0.262 nan 8.270 nan 0.000 0.521 345 A N 0.407 123.257 122.820 0.050 0.000 1.963 345 A HA 0.115 4.435 4.320 -0.000 0.000 0.207 345 A C 0.632 178.276 177.584 0.100 0.000 1.243 345 A CA 0.284 52.371 52.037 0.083 0.000 0.728 345 A CB 0.537 19.602 19.000 0.110 0.000 0.895 345 A HN 0.317 nan 8.150 nan 0.000 0.467 346 N N -1.033 117.731 118.700 0.107 0.000 2.699 346 N HA 0.245 4.985 4.740 -0.000 0.000 0.271 346 N C -2.878 172.712 175.510 0.135 0.000 1.216 346 N CA -1.227 51.902 53.050 0.131 0.000 0.844 346 N CB 1.498 40.091 38.487 0.177 0.000 1.462 346 N HN -0.227 nan 8.380 nan 0.000 0.555 347 P HA -0.093 nan 4.420 nan 0.000 0.214 347 P C 0.202 177.604 177.300 0.169 0.000 1.169 347 P CA 1.503 64.671 63.100 0.113 0.000 0.908 347 P CB 0.254 32.012 31.700 0.098 0.000 0.791 348 D N -0.866 119.671 120.400 0.228 0.000 2.411 348 D HA 0.022 4.662 4.640 -0.000 0.000 0.226 348 D C 0.576 177.154 176.300 0.463 0.000 0.988 348 D CA 0.326 54.549 54.000 0.371 0.000 0.938 348 D CB -0.662 40.423 40.800 0.475 0.000 0.883 348 D HN 0.180 nan 8.370 nan 0.000 0.525 349 A N 0.635 123.656 122.820 0.336 0.000 2.531 349 A HA 0.057 4.377 4.320 -0.000 0.000 0.236 349 A C -0.390 177.424 177.584 0.383 0.000 1.062 349 A CA 0.063 52.320 52.037 0.366 0.000 0.760 349 A CB -0.050 19.104 19.000 0.257 0.000 0.995 349 A HN 0.261 nan 8.150 nan 0.000 0.501 350 Y N 2.891 123.360 120.300 0.281 0.000 2.353 350 Y HA 0.511 5.061 4.550 -0.000 0.000 0.340 350 Y C -0.260 175.728 175.900 0.147 0.000 0.972 350 Y CA -1.139 57.048 58.100 0.145 0.000 1.157 350 Y CB 0.774 39.317 38.460 0.138 0.000 1.157 350 Y HN 0.514 nan 8.280 nan 0.000 0.495 351 I N 8.703 129.133 120.570 -0.234 0.000 2.268 351 I HA 0.120 4.290 4.170 -0.000 0.000 0.290 351 I C -0.899 174.796 176.117 -0.703 0.000 1.125 351 I CA -0.628 60.525 61.300 -0.244 0.000 1.236 351 I CB 0.305 38.332 38.000 0.046 0.000 1.469 351 I HN 0.421 nan 8.210 nan 0.000 0.512 352 L N 6.189 126.865 121.223 -0.912 0.000 2.307 352 L HA 0.842 5.182 4.340 -0.000 0.000 0.282 352 L C 0.112 176.418 176.870 -0.941 0.000 1.051 352 L CA 0.144 54.369 54.840 -1.024 0.000 0.804 352 L CB 1.395 42.805 42.059 -1.082 0.000 1.197 352 L HN 0.391 nan 8.230 nan 0.000 0.431 353 G N 2.804 110.960 108.800 -1.074 0.000 2.533 353 G HA2 0.413 4.373 3.960 -0.000 0.000 0.304 353 G HA3 0.413 4.373 3.960 -0.000 0.000 0.304 353 G C -1.377 173.097 174.900 -0.710 0.000 1.263 353 G CA -0.576 43.841 45.100 -1.139 0.000 0.964 353 G HN 0.695 nan 8.290 nan 0.000 0.479 354 E N 0.556 120.455 120.200 -0.501 0.000 1.963 354 E HA 0.428 4.778 4.350 -0.000 0.000 0.274 354 E C -0.980 175.529 176.600 -0.151 0.000 1.061 354 E CA -0.306 55.940 56.400 -0.257 0.000 0.847 354 E CB 0.758 30.429 29.700 -0.048 0.000 1.083 354 E HN 0.104 nan 8.360 nan 0.000 0.402 355 V N 5.966 125.779 119.914 -0.169 0.000 2.419 355 V HA 0.118 4.238 4.120 -0.000 0.000 0.287 355 V C -0.238 175.876 176.094 0.034 0.000 1.017 355 V CA -0.756 61.443 62.300 -0.168 0.000 0.844 355 V CB 0.718 32.360 31.823 -0.301 0.000 1.011 355 V HN 0.789 nan 8.190 nan 0.000 0.429 356 W N 2.037 123.205 121.300 -0.220 0.000 2.678 356 W HA 0.102 4.762 4.660 -0.000 0.000 0.256 356 W C 1.260 177.810 176.519 0.051 0.000 1.280 356 W CA 0.127 57.464 57.345 -0.014 0.000 1.345 356 W CB -0.506 28.777 29.460 -0.293 0.000 1.118 356 W HN 0.839 nan 8.180 nan 0.000 0.629 357 H N -2.241 117.049 119.070 0.367 0.000 2.615 357 H HA 0.346 4.902 4.556 -0.000 0.000 0.346 357 H C 0.159 175.686 175.328 0.332 0.000 1.200 357 H CA -1.657 54.568 56.048 0.294 0.000 1.264 357 H CB 0.075 29.982 29.762 0.241 0.000 1.699 357 H HN -0.284 nan 8.280 nan 0.000 0.567 358 E N 0.721 121.224 120.200 0.505 0.000 2.868 358 E HA -0.072 4.278 4.350 -0.000 0.000 0.246 358 E C -0.390 176.565 176.600 0.591 0.000 0.962 358 E CA 0.636 57.318 56.400 0.470 0.000 0.955 358 E CB 0.016 29.886 29.700 0.283 0.000 0.903 358 E HN 0.729 nan 8.360 nan 0.000 0.524 359 S N 1.470 117.529 115.700 0.597 0.000 2.661 359 S HA 0.043 4.513 4.470 -0.000 0.000 0.245 359 S C 1.091 175.769 174.600 0.130 0.000 1.117 359 S CA 0.029 58.553 58.200 0.540 0.000 1.091 359 S CB 0.086 63.684 63.200 0.663 0.000 0.887 359 S HN 0.378 nan 8.310 nan 0.000 0.491 360 S N 1.059 116.774 115.700 0.024 0.000 2.500 360 S HA -0.079 4.391 4.470 -0.000 0.000 0.239 360 S C 1.432 175.951 174.600 -0.135 0.000 0.989 360 S CA 0.529 58.648 58.200 -0.134 0.000 0.951 360 S CB -0.734 62.479 63.200 0.021 0.000 0.759 360 S HN 0.439 nan 8.310 nan 0.000 0.523 361 I N 0.900 121.342 120.570 -0.213 0.000 2.202 361 I HA -0.027 4.143 4.170 -0.000 0.000 0.242 361 I C 2.314 178.133 176.117 -0.495 0.000 1.091 361 I CA 0.988 62.006 61.300 -0.471 0.000 1.368 361 I CB -0.769 36.692 38.000 -0.897 0.000 1.058 361 I HN 0.406 nan 8.210 nan 0.000 0.410 362 W N 0.173 121.324 121.300 -0.248 0.000 2.678 362 W HA 0.148 4.808 4.660 -0.000 0.000 0.256 362 W C 0.642 176.987 176.519 -0.291 0.000 1.280 362 W CA 0.293 57.348 57.345 -0.484 0.000 1.345 362 W CB -0.438 28.445 29.460 -0.962 0.000 1.118 362 W HN 0.061 nan 8.180 nan 0.000 0.629 363 L N 1.482 122.743 121.223 0.065 0.000 2.719 363 L HA 0.182 4.522 4.340 -0.000 0.000 0.236 363 L C 0.699 177.779 176.870 0.350 0.000 1.285 363 L CA 0.313 55.325 54.840 0.287 0.000 1.222 363 L CB -0.155 41.898 42.059 -0.009 0.000 1.493 363 L HN -0.214 nan 8.230 nan 0.000 0.415 364 E N 0.566 120.844 120.200 0.129 0.000 2.660 364 E HA 0.214 4.564 4.350 -0.000 0.000 0.216 364 E C 1.318 177.850 176.600 -0.114 0.000 0.986 364 E CA 0.417 56.860 56.400 0.072 0.000 1.037 364 E CB 0.661 30.337 29.700 -0.040 0.000 1.041 364 E HN 0.514 nan 8.360 nan 0.000 0.480 365 G N 1.642 109.969 108.800 -0.787 0.000 2.168 365 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 365 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 365 G C 0.728 175.326 174.900 -0.503 0.000 0.977 365 G CA 0.812 45.182 45.100 -1.217 0.000 0.659 365 G HN 0.494 nan 8.290 nan 0.000 0.533 366 D N -1.366 118.843 120.400 -0.318 0.000 2.417 366 D HA 0.147 4.787 4.640 -0.000 0.000 0.207 366 D C 1.613 177.867 176.300 -0.077 0.000 1.075 366 D CA 0.991 54.903 54.000 -0.146 0.000 0.851 366 D CB -0.015 40.730 40.800 -0.092 0.000 0.976 366 D HN 0.550 nan 8.370 nan 0.000 0.505 367 Q N -1.362 118.370 119.800 -0.114 0.000 2.303 367 Q HA 0.205 4.545 4.340 -0.000 0.000 0.175 367 Q C -0.240 175.873 176.000 0.188 0.000 0.643 367 Q CA -0.173 55.640 55.803 0.018 0.000 0.871 367 Q CB 1.015 29.672 28.738 -0.135 0.000 1.206 367 Q HN 0.005 nan 8.270 nan 0.000 0.424 368 F N 0.858 120.797 119.950 -0.019 0.000 2.452 368 F HA 0.328 4.855 4.527 -0.000 0.000 0.353 368 F C 1.029 176.830 175.800 0.002 0.000 1.089 368 F CA -1.079 56.882 58.000 -0.065 0.000 1.080 368 F CB 0.360 39.283 39.000 -0.127 0.000 1.399 368 F HN -0.027 nan 8.300 nan 0.000 0.492 369 D N -0.836 119.694 120.400 0.218 0.000 2.531 369 D HA 0.436 5.076 4.640 -0.000 0.000 0.263 369 D C 0.158 176.570 176.300 0.186 0.000 1.057 369 D CA 0.703 54.857 54.000 0.258 0.000 0.909 369 D CB 1.391 42.231 40.800 0.067 0.000 1.236 369 D HN 0.406 nan 8.370 nan 0.000 0.494 370 A N 0.133 122.928 122.820 -0.042 0.000 2.467 370 A HA 0.636 4.956 4.320 -0.000 0.000 0.301 370 A C -1.342 176.114 177.584 -0.214 0.000 1.126 370 A CA -0.295 51.703 52.037 -0.064 0.000 0.632 370 A CB 1.034 20.055 19.000 0.035 0.000 1.331 370 A HN 0.058 nan 8.150 nan 0.000 0.482 371 V N -3.418 116.394 119.914 -0.171 0.000 3.203 371 V HA 0.718 4.838 4.120 -0.000 0.000 0.305 371 V C -0.725 175.227 176.094 -0.237 0.000 1.361 371 V CA -1.217 60.929 62.300 -0.256 0.000 1.066 371 V CB 1.742 33.504 31.823 -0.102 0.000 1.085 371 V HN 0.862 nan 8.190 nan 0.000 0.456 372 M N 3.133 122.548 119.600 -0.309 0.000 2.266 372 M HA 0.292 4.772 4.480 -0.000 0.000 0.340 372 M C 0.463 176.583 176.300 -0.301 0.000 1.486 372 M CA 0.267 55.322 55.300 -0.409 0.000 1.209 372 M CB -0.799 31.448 32.600 -0.589 0.000 1.714 372 M HN 0.824 nan 8.290 nan 0.000 0.459 373 N N 2.576 121.142 118.700 -0.223 0.000 3.105 373 N HA -0.054 4.686 4.740 -0.000 0.000 0.309 373 N C 0.591 176.076 175.510 -0.041 0.000 1.291 373 N CA 0.168 53.179 53.050 -0.065 0.000 1.153 373 N CB -0.207 38.244 38.487 -0.061 0.000 1.447 373 N HN 0.411 nan 8.380 nan 0.000 0.555 374 Y N 0.964 121.234 120.300 -0.050 0.000 2.193 374 Y HA -0.163 4.387 4.550 -0.000 0.000 0.285 374 Y C -0.324 175.619 175.900 0.072 0.000 1.166 374 Y CA 1.530 59.608 58.100 -0.035 0.000 1.181 374 Y CB -1.237 37.166 38.460 -0.094 0.000 0.976 374 Y HN 0.401 nan 8.280 nan 0.000 0.520 375 P HA -0.283 nan 4.420 nan 0.000 0.214 375 P C 1.735 179.098 177.300 0.105 0.000 1.163 375 P CA 1.788 64.979 63.100 0.153 0.000 0.889 375 P CB -0.485 31.276 31.700 0.101 0.000 0.790 376 F N 1.471 121.394 119.950 -0.045 0.000 2.025 376 F HA -0.228 4.299 4.527 -0.000 0.000 0.297 376 F C 2.162 177.938 175.800 -0.041 0.000 1.132 376 F CA 2.750 60.691 58.000 -0.099 0.000 1.191 376 F CB -1.527 37.398 39.000 -0.125 0.000 0.963 376 F HN -0.131 nan 8.300 nan 0.000 0.481 377 T N 0.445 115.065 114.554 0.109 0.000 2.653 377 T HA -0.348 4.002 4.350 -0.000 0.000 0.268 377 T C 1.624 176.308 174.700 -0.027 0.000 1.035 377 T CA 1.964 64.060 62.100 -0.007 0.000 1.154 377 T CB -0.826 68.091 68.868 0.082 0.000 0.862 377 T HN 0.356 nan 8.240 nan 0.000 0.441 378 N N 0.861 119.607 118.700 0.076 0.000 2.513 378 N HA -0.022 4.718 4.740 -0.000 0.000 0.187 378 N C 1.472 177.022 175.510 0.067 0.000 1.056 378 N CA 0.992 54.108 53.050 0.110 0.000 0.907 378 N CB -0.240 38.330 38.487 0.138 0.000 0.954 378 N HN 0.484 nan 8.380 nan 0.000 0.445 379 A N -0.718 122.077 122.820 -0.041 0.000 1.896 379 A HA 0.078 4.398 4.320 -0.000 0.000 0.213 379 A C 2.239 179.961 177.584 0.229 0.000 1.306 379 A CA 0.896 52.941 52.037 0.013 0.000 0.626 379 A CB -0.816 18.040 19.000 -0.240 0.000 0.994 379 A HN 0.063 nan 8.150 nan 0.000 0.475 380 V N 0.765 120.746 119.914 0.111 0.000 2.222 380 V HA -0.363 3.757 4.120 -0.000 0.000 0.252 380 V C 2.604 178.790 176.094 0.153 0.000 1.060 380 V CA 2.405 64.826 62.300 0.203 0.000 1.027 380 V CB -1.246 30.467 31.823 -0.183 0.000 0.644 380 V HN 0.550 nan 8.190 nan 0.000 0.448 381 L N -0.163 121.081 121.223 0.034 0.000 2.043 381 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 381 L C 2.180 179.085 176.870 0.058 0.000 1.075 381 L CA 1.984 56.804 54.840 -0.033 0.000 0.752 381 L CB -0.724 41.348 42.059 0.022 0.000 0.891 381 L HN 0.371 nan 8.230 nan 0.000 0.432 382 D N -1.541 119.018 120.400 0.265 0.000 2.392 382 D HA -0.147 4.493 4.640 -0.000 0.000 0.228 382 D C 1.287 177.758 176.300 0.285 0.000 1.003 382 D CA 0.636 54.843 54.000 0.345 0.000 0.917 382 D CB 0.208 41.146 40.800 0.230 0.000 0.890 382 D HN 0.226 nan 8.370 nan 0.000 0.532 383 F N -1.087 118.870 119.950 0.012 0.000 2.522 383 F HA 0.177 4.704 4.527 -0.000 0.000 0.275 383 F C 1.234 176.871 175.800 -0.271 0.000 0.890 383 F CA 0.083 57.971 58.000 -0.188 0.000 1.157 383 F CB -0.573 38.157 39.000 -0.450 0.000 1.117 383 F HN -0.190 nan 8.300 nan 0.000 0.787 384 F N 0.475 120.099 119.950 -0.543 0.000 2.163 384 F HA -0.039 4.488 4.527 -0.000 0.000 0.297 384 F C 2.141 177.753 175.800 -0.313 0.000 1.094 384 F CA 1.086 58.730 58.000 -0.593 0.000 1.290 384 F CB -0.844 37.852 39.000 -0.505 0.000 1.017 384 F HN -0.052 nan 8.300 nan 0.000 0.483 385 I N -0.432 120.076 120.570 -0.103 0.000 2.201 385 I HA -0.212 3.958 4.170 -0.000 0.000 0.233 385 I C 2.556 178.559 176.117 -0.191 0.000 1.067 385 I CA 1.408 62.574 61.300 -0.224 0.000 1.354 385 I CB -1.168 36.561 38.000 -0.452 0.000 1.108 385 I HN 0.087 nan 8.210 nan 0.000 0.411 386 H N 1.194 120.287 119.070 0.038 0.000 2.491 386 H HA 0.006 4.562 4.556 -0.000 0.000 0.290 386 H C 0.311 175.654 175.328 0.024 0.000 1.050 386 H CA 0.530 56.598 56.048 0.034 0.000 1.309 386 H CB -0.650 29.139 29.762 0.045 0.000 1.392 386 H HN 0.434 nan 8.280 nan 0.000 0.554 387 Q N 0.142 119.994 119.800 0.087 0.000 2.426 387 Q HA -0.161 4.179 4.340 -0.000 0.000 0.359 387 Q C 0.259 176.308 176.000 0.081 0.000 1.381 387 Q CA 0.154 55.987 55.803 0.049 0.000 1.060 387 Q CB -0.621 28.098 28.738 -0.031 0.000 1.253 387 Q HN 0.425 nan 8.270 nan 0.000 0.363 388 I N -1.796 118.841 120.570 0.112 0.000 4.471 388 I HA 0.223 4.393 4.170 -0.000 0.000 0.326 388 I C 0.938 177.077 176.117 0.037 0.000 1.300 388 I CA 0.548 61.889 61.300 0.067 0.000 1.237 388 I CB 0.093 38.135 38.000 0.070 0.000 1.195 388 I HN 0.308 nan 8.210 nan 0.000 0.427 389 A N 1.745 124.595 122.820 0.051 0.000 2.312 389 A HA 0.535 4.855 4.320 -0.000 0.000 0.328 389 A C -0.088 177.384 177.584 -0.187 0.000 1.158 389 A CA -0.453 51.550 52.037 -0.056 0.000 0.821 389 A CB 0.776 19.747 19.000 -0.049 0.000 1.170 389 A HN 0.275 nan 8.150 nan 0.000 0.490 390 D N 1.452 121.670 120.400 -0.303 0.000 2.399 390 D HA 0.521 5.161 4.640 -0.000 0.000 0.288 390 D C 1.235 177.017 176.300 -0.863 0.000 1.197 390 D CA 0.272 54.028 54.000 -0.406 0.000 1.081 390 D CB 0.004 40.640 40.800 -0.272 0.000 1.139 390 D HN 0.424 nan 8.370 nan 0.000 0.554 391 A N -0.527 121.919 122.820 -0.623 0.000 1.831 391 A HA -0.093 4.227 4.320 -0.000 0.000 0.213 391 A C 2.039 179.276 177.584 -0.578 0.000 1.223 391 A CA 1.720 53.380 52.037 -0.628 0.000 0.604 391 A CB -1.462 17.333 19.000 -0.341 0.000 0.878 391 A HN 0.762 nan 8.150 nan 0.000 0.450 392 E N -0.356 119.501 120.200 -0.570 0.000 2.086 392 E HA -0.321 4.029 4.350 -0.000 0.000 0.200 392 E C 1.912 177.950 176.600 -0.936 0.000 1.012 392 E CA 1.632 57.525 56.400 -0.845 0.000 0.812 392 E CB -0.336 28.805 29.700 -0.931 0.000 0.743 392 E HN 0.270 nan 8.360 nan 0.000 0.453 393 K N 0.348 120.391 120.400 -0.594 0.000 2.059 393 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 393 K C 1.873 178.367 176.600 -0.176 0.000 1.050 393 K CA 1.552 57.690 56.287 -0.249 0.000 0.927 393 K CB -0.771 31.625 32.500 -0.174 0.000 0.714 393 K HN 0.255 nan 8.250 nan 0.000 0.447 394 F N 1.806 121.438 119.950 -0.530 0.000 2.043 394 F HA -0.299 4.228 4.527 -0.000 0.000 0.297 394 F C 2.616 178.240 175.800 -0.293 0.000 1.121 394 F CA 2.480 60.203 58.000 -0.462 0.000 1.199 394 F CB -1.045 37.520 39.000 -0.725 0.000 0.968 394 F HN 0.217 nan 8.300 nan 0.000 0.478 395 S N -0.130 115.361 115.700 -0.350 0.000 2.402 395 S HA -0.280 4.190 4.470 -0.000 0.000 0.233 395 S C 2.280 176.821 174.600 -0.098 0.000 1.030 395 S CA 1.519 59.463 58.200 -0.426 0.000 1.003 395 S CB -1.707 61.036 63.200 -0.762 0.000 0.813 395 S HN 0.498 nan 8.310 nan 0.000 0.477 396 F N 1.466 121.292 119.950 -0.207 0.000 2.113 396 F HA -0.014 4.513 4.527 -0.000 0.000 0.297 396 F C 2.731 178.467 175.800 -0.106 0.000 1.103 396 F CA 1.074 59.002 58.000 -0.119 0.000 1.248 396 F CB -0.309 38.632 39.000 -0.098 0.000 0.999 396 F HN 0.223 nan 8.300 nan 0.000 0.475 397 M N -0.133 119.494 119.600 0.046 0.000 2.374 397 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 397 M C 1.057 177.293 176.300 -0.106 0.000 1.067 397 M CA 1.177 56.448 55.300 -0.048 0.000 1.103 397 M CB -0.294 32.248 32.600 -0.097 0.000 1.402 397 M HN 0.122 nan 8.290 nan 0.000 0.444 398 L N 0.131 121.274 121.223 -0.134 0.000 2.968 398 L HA 0.218 4.558 4.340 -0.000 0.000 0.235 398 L C 1.232 178.142 176.870 0.068 0.000 1.323 398 L CA -0.363 54.446 54.840 -0.052 0.000 1.159 398 L CB -0.566 41.465 42.059 -0.047 0.000 1.523 398 L HN 0.310 nan 8.230 nan 0.000 0.468 399 G N -0.544 108.257 108.800 0.002 0.000 2.570 399 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.213 399 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.213 399 G C 1.180 175.954 174.900 -0.210 0.000 1.391 399 G CA -0.144 44.931 45.100 -0.041 0.000 0.533 399 G HN 0.156 nan 8.290 nan 0.000 1.072 400 K N 0.787 121.129 120.400 -0.097 0.000 2.211 400 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 400 K C 2.381 178.855 176.600 -0.210 0.000 1.047 400 K CA 2.182 58.406 56.287 -0.105 0.000 0.935 400 K CB 0.002 32.493 32.500 -0.014 0.000 0.728 400 K HN 0.572 nan 8.250 nan 0.000 0.452 401 Q N -0.919 118.753 119.800 -0.214 0.000 2.353 401 Q HA 0.035 4.375 4.340 -0.000 0.000 0.240 401 Q C 1.878 177.691 176.000 -0.311 0.000 0.868 401 Q CA 0.028 55.642 55.803 -0.314 0.000 0.944 401 Q CB -0.207 28.369 28.738 -0.269 0.000 1.104 401 Q HN 0.187 nan 8.270 nan 0.000 0.531 402 L N 1.529 122.646 121.223 -0.177 0.000 2.083 402 L HA 0.011 4.351 4.340 -0.000 0.000 0.209 402 L C 2.128 178.878 176.870 -0.200 0.000 1.083 402 L CA 2.382 57.180 54.840 -0.069 0.000 0.752 402 L CB -0.598 41.498 42.059 0.062 0.000 0.899 402 L HN 0.273 nan 8.230 nan 0.000 0.433 403 A N -0.895 121.697 122.820 -0.379 0.000 1.997 403 A HA 0.245 4.565 4.320 -0.000 0.000 0.212 403 A C 2.295 179.627 177.584 -0.420 0.000 1.178 403 A CA 0.604 52.367 52.037 -0.456 0.000 0.698 403 A CB -1.281 17.217 19.000 -0.838 0.000 0.842 403 A HN 0.475 nan 8.150 nan 0.000 0.458 404 G N -0.889 107.664 108.800 -0.412 0.000 2.550 404 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.222 404 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.222 404 G C 0.664 175.557 174.900 -0.013 0.000 1.113 404 G CA 0.820 45.754 45.100 -0.278 0.000 0.748 404 G HN 0.582 nan 8.290 nan 0.000 0.585 405 Y N 0.296 120.454 120.300 -0.237 0.000 2.587 405 Y HA 0.383 4.933 4.550 0.000 0.000 0.337 405 Y C -1.910 173.772 175.900 -0.363 0.000 1.065 405 Y CA -2.944 55.008 58.100 -0.247 0.000 1.126 405 Y CB 2.154 40.508 38.460 -0.176 0.000 1.279 405 Y HN -0.095 nan 8.280 nan 0.000 0.489 406 P HA 0.102 nan 4.420 nan 0.000 0.274 406 P C 0.150 177.223 177.300 -0.377 0.000 1.237 406 P CA -0.098 62.519 63.100 -0.806 0.000 0.793 406 P CB 1.278 32.287 31.700 -1.152 0.000 0.977 407 R N 0.857 121.275 120.500 -0.136 0.000 2.134 407 R HA -0.235 4.105 4.340 -0.000 0.000 0.248 407 R C 2.360 178.703 176.300 0.071 0.000 1.143 407 R CA 2.272 58.368 56.100 -0.006 0.000 0.957 407 R CB -0.277 29.997 30.300 -0.044 0.000 0.867 407 R HN 0.609 nan 8.270 nan 0.000 0.441 408 Q N -0.195 119.730 119.800 0.208 0.000 1.916 408 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 408 Q C 2.106 177.959 176.000 -0.243 0.000 0.983 408 Q CA 1.456 57.252 55.803 -0.012 0.000 0.846 408 Q CB -0.929 27.688 28.738 -0.201 0.000 0.909 408 Q HN 0.284 nan 8.270 nan 0.000 0.427 409 A N 1.762 124.300 122.820 -0.470 0.000 1.929 409 A HA -0.284 4.036 4.320 -0.000 0.000 0.221 409 A C 2.492 179.964 177.584 -0.188 0.000 1.211 409 A CA 2.805 54.576 52.037 -0.444 0.000 0.657 409 A CB -1.153 17.503 19.000 -0.573 0.000 0.827 409 A HN 0.574 nan 8.150 nan 0.000 0.462 410 S N -0.396 115.220 115.700 -0.139 0.000 2.365 410 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 410 S C 1.710 176.212 174.600 -0.163 0.000 1.039 410 S CA 1.665 59.815 58.200 -0.084 0.000 1.033 410 S CB -0.456 62.641 63.200 -0.171 0.000 0.887 410 S HN 0.735 nan 8.310 nan 0.000 0.447 411 E N 0.186 120.231 120.200 -0.257 0.000 2.401 411 E HA -0.052 4.298 4.350 -0.000 0.000 0.199 411 E C 0.404 176.907 176.600 -0.163 0.000 1.023 411 E CA 0.586 56.828 56.400 -0.264 0.000 0.859 411 E CB 0.069 29.632 29.700 -0.229 0.000 0.780 411 E HN 0.257 nan 8.360 nan 0.000 0.523 412 V N 1.373 121.203 119.914 -0.139 0.000 2.988 412 V HA 0.095 4.215 4.120 -0.000 0.000 0.356 412 V C -0.149 175.910 176.094 -0.058 0.000 1.380 412 V CA -0.152 62.080 62.300 -0.114 0.000 1.184 412 V CB 0.142 31.901 31.823 -0.106 0.000 1.204 412 V HN 0.200 nan 8.190 nan 0.000 0.530 413 M N 0.586 120.146 119.600 -0.066 0.000 2.217 413 M HA 0.252 4.732 4.480 -0.000 0.000 0.352 413 M C 0.100 176.329 176.300 -0.120 0.000 1.376 413 M CA -0.554 54.719 55.300 -0.045 0.000 1.107 413 M CB -0.179 32.404 32.600 -0.027 0.000 1.723 413 M HN 0.280 nan 8.290 nan 0.000 0.461 414 F N 4.333 124.135 119.950 -0.247 0.000 2.626 414 F HA 0.070 4.597 4.527 0.000 0.000 0.374 414 F C 0.339 175.889 175.800 -0.416 0.000 1.184 414 F CA -0.018 57.770 58.000 -0.354 0.000 1.339 414 F CB -0.762 38.003 39.000 -0.392 0.000 1.730 414 F HN 0.533 nan 8.300 nan 0.000 0.650 415 N N 5.358 123.714 118.700 -0.573 0.000 2.434 415 N HA 0.126 4.866 4.740 -0.000 0.000 0.273 415 N C 0.176 175.307 175.510 -0.632 0.000 1.210 415 N CA -0.277 52.298 53.050 -0.792 0.000 0.992 415 N CB 0.465 38.145 38.487 -1.346 0.000 1.355 415 N HN 0.543 nan 8.380 nan 0.000 0.495 416 L N -0.501 120.462 121.223 -0.432 0.000 2.805 416 L HA 0.592 4.932 4.340 -0.000 0.000 0.242 416 L C 0.388 177.230 176.870 -0.046 0.000 1.180 416 L CA -0.813 53.843 54.840 -0.307 0.000 1.001 416 L CB 0.689 42.528 42.059 -0.366 0.000 1.864 416 L HN 0.307 nan 8.230 nan 0.000 0.551 417 L N -1.182 120.001 121.223 -0.067 0.000 3.923 417 L HA 0.289 4.629 4.340 -0.000 0.000 0.374 417 L C -1.349 175.486 176.870 -0.058 0.000 1.137 417 L CA -0.159 54.677 54.840 -0.007 0.000 1.351 417 L CB 0.891 42.976 42.059 0.044 0.000 1.720 417 L HN 0.863 nan 8.230 nan 0.000 0.634 418 D N -0.197 120.127 120.400 -0.126 0.000 2.648 418 D HA 0.559 5.199 4.640 -0.000 0.000 0.244 418 D C -0.750 175.334 176.300 -0.360 0.000 1.244 418 D CA 0.019 53.896 54.000 -0.205 0.000 0.772 418 D CB 1.925 42.605 40.800 -0.200 0.000 1.379 418 D HN -0.041 nan 8.370 nan 0.000 0.428 419 S N -0.917 114.448 115.700 -0.558 0.000 2.724 419 S HA 0.352 4.822 4.470 -0.000 0.000 0.278 419 S C 0.388 174.520 174.600 -0.780 0.000 1.190 419 S CA -0.251 57.519 58.200 -0.717 0.000 0.860 419 S CB 0.554 63.498 63.200 -0.427 0.000 1.206 419 S HN 0.765 nan 8.310 nan 0.000 0.507 420 H N -0.351 118.637 119.070 -0.136 0.000 2.529 420 H HA 0.337 4.893 4.556 -0.000 0.000 0.277 420 H C 0.773 176.126 175.328 0.041 0.000 0.999 420 H CA 1.393 57.453 56.048 0.021 0.000 1.256 420 H CB -0.550 29.262 29.762 0.083 0.000 1.402 420 H HN 0.476 nan 8.280 nan 0.000 0.566 421 D N 0.385 120.897 120.400 0.187 0.000 2.323 421 D HA 0.012 4.652 4.640 -0.000 0.000 0.209 421 D C 0.898 177.311 176.300 0.188 0.000 0.973 421 D CA 1.337 55.518 54.000 0.301 0.000 0.874 421 D CB 0.274 41.358 40.800 0.473 0.000 0.930 421 D HN 0.645 nan 8.370 nan 0.000 0.521 422 T N -3.251 111.346 114.554 0.070 0.000 2.693 422 T HA 0.754 5.104 4.350 -0.000 0.000 0.278 422 T C 0.172 174.860 174.700 -0.020 0.000 0.994 422 T CA -0.750 61.364 62.100 0.023 0.000 1.033 422 T CB 1.630 70.550 68.868 0.087 0.000 1.342 422 T HN -0.103 nan 8.240 nan 0.000 0.538 423 A N 0.290 123.127 122.820 0.030 0.000 2.251 423 A HA 0.661 4.981 4.320 -0.000 0.000 0.278 423 A C 0.376 177.934 177.584 -0.044 0.000 1.206 423 A CA -0.672 51.413 52.037 0.079 0.000 0.822 423 A CB 0.030 19.137 19.000 0.179 0.000 1.187 423 A HN 0.793 nan 8.150 nan 0.000 0.504 424 R N -0.750 119.734 120.500 -0.026 0.000 2.474 424 R HA 0.321 4.661 4.340 -0.000 0.000 0.295 424 R C 0.818 177.104 176.300 -0.023 0.000 0.980 424 R CA -0.793 55.269 56.100 -0.065 0.000 0.934 424 R CB 1.141 31.427 30.300 -0.023 0.000 1.101 424 R HN 0.660 nan 8.270 nan 0.000 0.469 425 L N 3.173 124.379 121.223 -0.028 0.000 1.978 425 L HA -0.282 4.058 4.340 -0.000 0.000 0.218 425 L C 2.076 178.937 176.870 -0.015 0.000 1.075 425 L CA 1.854 56.683 54.840 -0.018 0.000 0.767 425 L CB -0.688 41.374 42.059 0.006 0.000 0.890 425 L HN 0.707 nan 8.230 nan 0.000 0.434 426 L N -0.704 120.520 121.223 0.003 0.000 1.963 426 L HA -0.299 4.041 4.340 -0.000 0.000 0.220 426 L C 2.705 179.567 176.870 -0.013 0.000 1.076 426 L CA 3.008 57.845 54.840 -0.004 0.000 0.772 426 L CB -1.496 40.569 42.059 0.009 0.000 0.892 426 L HN 0.695 nan 8.230 nan 0.000 0.435 427 T N -3.506 111.047 114.554 -0.001 0.000 2.788 427 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 427 T C 1.874 176.582 174.700 0.013 0.000 1.044 427 T CA 1.305 63.408 62.100 0.006 0.000 1.139 427 T CB -0.565 68.314 68.868 0.017 0.000 0.867 427 T HN 0.524 nan 8.240 nan 0.000 0.454 428 Q N 1.025 120.833 119.800 0.013 0.000 2.173 428 Q HA -0.113 4.227 4.340 -0.000 0.000 0.208 428 Q C 2.513 178.499 176.000 -0.025 0.000 0.989 428 Q CA 2.046 57.856 55.803 0.012 0.000 0.872 428 Q CB -0.652 28.064 28.738 -0.036 0.000 0.909 428 Q HN 0.806 nan 8.270 nan 0.000 0.420 429 A N 0.157 122.952 122.820 -0.042 0.000 1.974 429 A HA 0.071 4.391 4.320 -0.000 0.000 0.219 429 A C -0.169 177.397 177.584 -0.030 0.000 1.479 429 A CA 0.926 52.933 52.037 -0.049 0.000 0.615 429 A CB 0.280 19.239 19.000 -0.068 0.000 1.130 429 A HN 0.302 nan 8.150 nan 0.000 0.497 430 D N -4.214 116.163 120.400 -0.039 0.000 3.534 430 D HA 0.309 4.949 4.640 -0.000 0.000 0.116 430 D C 0.233 176.503 176.300 -0.050 0.000 0.779 430 D CA 1.262 55.243 54.000 -0.033 0.000 2.072 430 D CB -1.158 39.629 40.800 -0.022 0.000 0.507 430 D HN 1.266 nan 8.370 nan 0.000 0.922 431 G N 2.046 110.817 108.800 -0.048 0.000 2.219 431 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.271 431 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.271 431 G C 0.356 175.201 174.900 -0.092 0.000 0.991 431 G CA 0.527 45.593 45.100 -0.057 0.000 0.685 431 G HN 0.567 nan 8.290 nan 0.000 0.531 432 D N 0.728 121.057 120.400 -0.118 0.000 2.713 432 D HA 0.203 4.843 4.640 -0.000 0.000 0.229 432 D C 1.890 178.057 176.300 -0.222 0.000 1.136 432 D CA -0.054 53.830 54.000 -0.194 0.000 1.010 432 D CB -0.207 40.457 40.800 -0.227 0.000 1.084 432 D HN 0.493 nan 8.370 nan 0.000 0.495 433 K N 0.682 120.972 120.400 -0.184 0.000 2.127 433 K HA -0.266 4.054 4.320 -0.000 0.000 0.212 433 K C 1.912 178.337 176.600 -0.291 0.000 1.050 433 K CA 1.261 57.431 56.287 -0.196 0.000 0.929 433 K CB 0.068 32.471 32.500 -0.161 0.000 0.715 433 K HN 0.305 nan 8.250 nan 0.000 0.457 434 R N 1.096 121.392 120.500 -0.339 0.000 2.113 434 R HA -0.192 4.148 4.340 -0.000 0.000 0.231 434 R C 2.475 178.566 176.300 -0.350 0.000 1.129 434 R CA 1.967 57.826 56.100 -0.401 0.000 0.915 434 R CB -0.439 29.488 30.300 -0.621 0.000 0.837 434 R HN 0.208 nan 8.270 nan 0.000 0.430 435 K N 0.781 120.889 120.400 -0.486 0.000 2.089 435 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 435 K C 2.205 178.775 176.600 -0.049 0.000 1.048 435 K CA 1.881 58.087 56.287 -0.136 0.000 0.926 435 K CB -0.106 32.304 32.500 -0.150 0.000 0.714 435 K HN 0.164 nan 8.250 nan 0.000 0.448 436 M N 0.860 120.376 119.600 -0.141 0.000 2.059 436 M HA -0.219 4.261 4.480 -0.000 0.000 0.259 436 M C 1.759 177.961 176.300 -0.164 0.000 1.072 436 M CA 1.879 57.108 55.300 -0.119 0.000 1.117 436 M CB -0.099 32.440 32.600 -0.102 0.000 1.320 436 M HN 0.014 nan 8.290 nan 0.000 0.408 437 K N 0.481 120.665 120.400 -0.360 0.000 2.077 437 K HA -0.226 4.094 4.320 -0.000 0.000 0.213 437 K C 1.839 178.327 176.600 -0.186 0.000 1.051 437 K CA 2.041 57.900 56.287 -0.715 0.000 0.929 437 K CB -0.747 31.057 32.500 -1.159 0.000 0.715 437 K HN 0.441 nan 8.250 nan 0.000 0.451 438 L N 0.148 121.326 121.223 -0.075 0.000 2.191 438 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 438 L C 2.517 179.238 176.870 -0.249 0.000 1.103 438 L CA 0.973 55.845 54.840 0.054 0.000 0.769 438 L CB -0.582 41.660 42.059 0.305 0.000 0.908 438 L HN 0.291 nan 8.230 nan 0.000 0.438 439 A N -0.115 122.474 122.820 -0.384 0.000 1.835 439 A HA -0.087 4.233 4.320 -0.000 0.000 0.213 439 A C 2.250 179.731 177.584 -0.172 0.000 1.210 439 A CA 1.113 52.769 52.037 -0.635 0.000 0.605 439 A CB -0.853 17.907 19.000 -0.399 0.000 0.860 439 A HN 0.089 nan 8.150 nan 0.000 0.447 440 V N 0.398 120.300 119.914 -0.020 0.000 2.363 440 V HA -0.312 3.808 4.120 -0.000 0.000 0.254 440 V C 2.501 178.664 176.094 0.115 0.000 1.074 440 V CA 2.222 64.564 62.300 0.071 0.000 1.069 440 V CB -1.120 30.731 31.823 0.047 0.000 0.659 440 V HN 0.584 nan 8.190 nan 0.000 0.455 441 L N -0.281 121.039 121.223 0.162 0.000 1.961 441 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 441 L C 2.183 179.181 176.870 0.213 0.000 1.072 441 L CA 2.098 57.045 54.840 0.177 0.000 0.749 441 L CB -1.047 41.153 42.059 0.235 0.000 0.889 441 L HN 0.282 nan 8.230 nan 0.000 0.432 442 F N 0.509 120.493 119.950 0.056 0.000 2.111 442 F HA -0.370 4.157 4.527 -0.000 0.000 0.300 442 F C 2.715 178.607 175.800 0.154 0.000 1.088 442 F CA 2.363 60.438 58.000 0.126 0.000 1.243 442 F CB -0.504 38.501 39.000 0.007 0.000 0.996 442 F HN 0.452 nan 8.300 nan 0.000 0.483 443 Q N -0.538 119.420 119.800 0.263 0.000 2.014 443 Q HA -0.260 4.080 4.340 -0.000 0.000 0.207 443 Q C 1.408 177.394 176.000 -0.023 0.000 0.993 443 Q CA 2.072 57.987 55.803 0.186 0.000 0.850 443 Q CB -0.528 28.361 28.738 0.252 0.000 0.916 443 Q HN 0.376 nan 8.270 nan 0.000 0.417 444 F N 0.273 120.161 119.950 -0.103 0.000 2.740 444 F HA 0.122 4.649 4.527 -0.000 0.000 0.294 444 F C 0.833 176.564 175.800 -0.115 0.000 1.225 444 F CA 0.578 58.502 58.000 -0.126 0.000 1.426 444 F CB 0.375 39.288 39.000 -0.144 0.000 1.021 444 F HN 0.092 nan 8.300 nan 0.000 0.508 445 T N -3.169 111.351 114.554 -0.057 0.000 3.028 445 T HA 0.055 4.405 4.350 -0.000 0.000 0.262 445 T C -0.077 174.409 174.700 -0.356 0.000 0.916 445 T CA 0.020 62.064 62.100 -0.094 0.000 0.873 445 T CB -0.024 68.875 68.868 0.052 0.000 1.232 445 T HN 0.015 nan 8.240 nan 0.000 0.529 446 Y N 2.230 122.074 120.300 -0.759 0.000 2.418 446 Y HA 0.571 5.121 4.550 -0.000 0.000 0.327 446 Y C -0.405 175.008 175.900 -0.811 0.000 1.309 446 Y CA -2.272 55.145 58.100 -1.139 0.000 1.423 446 Y CB 0.467 38.241 38.460 -1.142 0.000 1.423 446 Y HN 0.089 nan 8.280 nan 0.000 0.532 447 F N 0.048 119.440 119.950 -0.930 0.000 2.450 447 F HA 0.840 5.367 4.527 -0.000 0.000 0.328 447 F C 0.460 175.960 175.800 -0.500 0.000 1.068 447 F CA -1.273 56.350 58.000 -0.629 0.000 1.007 447 F CB 0.225 38.849 39.000 -0.627 0.000 1.251 447 F HN 0.743 nan 8.300 nan 0.000 0.492 448 G N 0.126 108.875 108.800 -0.085 0.000 2.466 448 G HA2 0.102 4.062 3.960 -0.000 0.000 0.316 448 G HA3 0.102 4.062 3.960 -0.000 0.000 0.316 448 G C -1.148 173.611 174.900 -0.235 0.000 1.270 448 G CA -0.642 44.368 45.100 -0.150 0.000 0.982 448 G HN 0.889 nan 8.290 nan 0.000 0.506 449 T N 4.139 118.531 114.554 -0.269 0.000 2.767 449 T HA 0.684 5.034 4.350 -0.000 0.000 0.284 449 T C -2.180 172.194 174.700 -0.543 0.000 0.973 449 T CA -0.491 61.415 62.100 -0.324 0.000 0.996 449 T CB 2.138 70.880 68.868 -0.210 0.000 0.927 449 T HN 0.593 nan 8.240 nan 0.000 0.456 450 P HA 0.466 nan 4.420 nan 0.000 0.282 450 P C -0.962 175.971 177.300 -0.611 0.000 1.259 450 P CA -0.612 62.054 63.100 -0.724 0.000 0.826 450 P CB 1.075 32.078 31.700 -1.162 0.000 1.064 451 C N 4.363 123.351 119.300 -0.521 0.000 2.481 451 C HA 0.530 4.990 4.460 -0.000 0.000 0.324 451 C C -0.793 174.149 174.990 -0.080 0.000 1.170 451 C CA -0.716 58.102 59.018 -0.333 0.000 1.361 451 C CB -0.184 27.101 27.740 -0.757 0.000 1.977 451 C HN 0.361 nan 8.230 nan 0.000 0.459 452 I N 6.451 127.017 120.570 -0.008 0.000 2.307 452 I HA 0.193 4.363 4.170 -0.000 0.000 0.289 452 I C -0.045 175.794 176.117 -0.464 0.000 1.021 452 I CA -0.424 60.767 61.300 -0.182 0.000 1.224 452 I CB 0.326 38.164 38.000 -0.271 0.000 1.376 452 I HN 0.724 nan 8.210 nan 0.000 0.470 453 Y N 9.076 129.151 120.300 -0.375 0.000 2.632 453 Y HA 0.011 4.561 4.550 -0.000 0.000 0.329 453 Y C 0.445 176.012 175.900 -0.554 0.000 1.174 453 Y CA -0.329 57.545 58.100 -0.377 0.000 1.469 453 Y CB 0.071 38.356 38.460 -0.291 0.000 1.242 453 Y HN 0.507 nan 8.280 nan 0.000 0.540 454 Y N 3.684 123.549 120.300 -0.725 0.000 2.812 454 Y HA 0.301 4.851 4.550 -0.000 0.000 0.348 454 Y C 0.766 176.494 175.900 -0.286 0.000 1.274 454 Y CA -1.071 56.799 58.100 -0.384 0.000 1.489 454 Y CB -0.349 37.998 38.460 -0.187 0.000 1.348 454 Y HN 1.085 nan 8.280 nan 0.000 0.646 455 G N 2.776 111.730 108.800 0.256 0.000 2.666 455 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.185 455 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.185 455 G C -0.277 174.581 174.900 -0.071 0.000 0.483 455 G CA 0.355 45.511 45.100 0.093 0.000 0.902 455 G HN 1.082 nan 8.290 nan 0.000 0.380 456 D N 1.144 121.484 120.400 -0.101 0.000 1.707 456 D HA -0.078 4.562 4.640 -0.000 0.000 0.835 456 D C 1.807 177.935 176.300 -0.286 0.000 0.337 456 D CA 0.715 54.643 54.000 -0.120 0.000 1.351 456 D CB -0.945 39.792 40.800 -0.104 0.000 0.996 456 D HN 0.475 nan 8.370 nan 0.000 0.370 457 E N 1.055 120.879 120.200 -0.627 0.000 2.209 457 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 457 E C 1.911 178.447 176.600 -0.107 0.000 0.993 457 E CA 1.048 56.879 56.400 -0.949 0.000 0.819 457 E CB -0.007 29.239 29.700 -0.756 0.000 0.745 457 E HN 0.297 nan 8.360 nan 0.000 0.477 458 V N -0.584 119.314 119.914 -0.026 0.000 3.307 458 V HA 0.327 4.447 4.120 -0.000 0.000 0.253 458 V C 0.659 176.741 176.094 -0.020 0.000 1.149 458 V CA 1.056 63.327 62.300 -0.050 0.000 1.112 458 V CB -0.036 31.718 31.823 -0.114 0.000 0.777 458 V HN 0.373 nan 8.190 nan 0.000 0.464 459 G N 1.072 109.869 108.800 -0.005 0.000 3.238 459 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.684 459 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.684 459 G C -1.101 173.795 174.900 -0.007 0.000 1.156 459 G CA -0.111 44.998 45.100 0.015 0.000 1.048 459 G HN 0.505 nan 8.290 nan 0.000 0.462 460 L N 2.703 123.924 121.223 -0.003 0.000 2.438 460 L HA 0.479 4.819 4.340 -0.000 0.000 0.270 460 L C -0.654 176.216 176.870 -0.001 0.000 0.972 460 L CA -1.011 53.822 54.840 -0.012 0.000 0.831 460 L CB 2.298 44.349 42.059 -0.014 0.000 1.273 460 L HN 0.553 nan 8.230 nan 0.000 0.405 461 D N 2.362 122.753 120.400 -0.014 0.000 2.347 461 D HA 0.391 5.031 4.640 -0.000 0.000 0.235 461 D C -0.021 176.276 176.300 -0.006 0.000 1.149 461 D CA 0.102 54.096 54.000 -0.010 0.000 0.850 461 D CB 1.835 42.623 40.800 -0.020 0.000 1.061 461 D HN 0.677 nan 8.370 nan 0.000 0.487 462 G N 1.751 110.562 108.800 0.018 0.000 2.857 462 G HA2 0.692 4.652 3.960 -0.000 0.000 0.217 462 G HA3 0.692 4.652 3.960 -0.000 0.000 0.217 462 G C 0.117 175.042 174.900 0.042 0.000 1.357 462 G CA 0.021 45.145 45.100 0.038 0.000 1.033 462 G HN 0.550 nan 8.290 nan 0.000 0.571 463 G N -2.348 106.497 108.800 0.076 0.000 3.400 463 G HA2 0.456 4.416 3.960 -0.000 0.000 0.167 463 G HA3 0.456 4.416 3.960 -0.000 0.000 0.167 463 G C -0.492 174.550 174.900 0.237 0.000 1.196 463 G CA -0.363 44.788 45.100 0.085 0.000 1.174 463 G HN 0.617 nan 8.290 nan 0.000 0.681 464 H N 0.429 119.537 119.070 0.063 0.000 2.889 464 H HA 0.200 4.756 4.556 -0.000 0.000 0.279 464 H C 1.290 176.676 175.328 0.097 0.000 1.553 464 H CA -0.175 55.914 56.048 0.069 0.000 1.593 464 H CB 1.242 31.042 29.762 0.063 0.000 1.718 464 H HN 0.530 nan 8.280 nan 0.000 0.901 465 D N 0.175 120.718 120.400 0.238 0.000 2.242 465 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 465 D C -1.126 175.307 176.300 0.221 0.000 1.012 465 D CA 1.658 55.774 54.000 0.193 0.000 0.875 465 D CB -1.821 39.061 40.800 0.136 0.000 0.922 465 D HN 0.325 nan 8.370 nan 0.000 0.448 466 P HA 0.040 nan 4.420 nan 0.000 0.216 466 P C 1.863 179.300 177.300 0.228 0.000 1.156 466 P CA 1.847 65.083 63.100 0.227 0.000 0.855 466 P CB -0.340 31.475 31.700 0.191 0.000 0.786 467 G N 0.517 109.423 108.800 0.177 0.000 2.575 467 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.215 467 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.215 467 G C 1.796 176.786 174.900 0.151 0.000 1.262 467 G CA 1.547 46.724 45.100 0.129 0.000 0.807 467 G HN 0.377 nan 8.290 nan 0.000 0.567 468 C N 0.644 120.039 119.300 0.159 0.000 2.381 468 C HA -0.114 4.346 4.460 -0.000 0.000 0.273 468 C C 2.218 177.377 174.990 0.281 0.000 1.160 468 C CA 1.038 60.148 59.018 0.154 0.000 1.817 468 C CB -1.409 26.381 27.740 0.083 0.000 2.123 468 C HN 0.414 nan 8.230 nan 0.000 0.464 469 R N 1.682 122.386 120.500 0.341 0.000 4.263 469 R HA 0.213 4.553 4.340 -0.000 0.000 0.248 469 R C 0.424 176.954 176.300 0.383 0.000 1.796 469 R CA -0.102 56.292 56.100 0.489 0.000 1.518 469 R CB -0.223 30.434 30.300 0.595 0.000 1.342 469 R HN 0.668 nan 8.270 nan 0.000 0.706 470 K N 0.736 121.280 120.400 0.240 0.000 2.355 470 K HA 0.060 4.380 4.320 -0.000 0.000 0.270 470 K C -0.088 176.539 176.600 0.045 0.000 1.003 470 K CA -0.489 55.846 56.287 0.079 0.000 0.957 470 K CB 0.675 33.171 32.500 -0.008 0.000 0.939 470 K HN 0.192 nan 8.250 nan 0.000 0.482 471 C N 3.520 122.708 119.300 -0.186 0.000 2.746 471 C HA -0.025 4.435 4.460 -0.000 0.000 0.403 471 C C 0.769 175.633 174.990 -0.210 0.000 1.270 471 C CA -0.614 58.225 59.018 -0.298 0.000 1.978 471 C CB -0.363 27.042 27.740 -0.558 0.000 2.724 471 C HN 0.850 nan 8.230 nan 0.000 0.678 472 M N 2.497 121.908 119.600 -0.316 0.000 2.255 472 M HA 0.247 4.727 4.480 -0.000 0.000 0.336 472 M C 0.053 176.006 176.300 -0.579 0.000 1.135 472 M CA 0.622 55.625 55.300 -0.496 0.000 1.145 472 M CB 0.295 32.347 32.600 -0.913 0.000 1.473 472 M HN 0.559 nan 8.290 nan 0.000 0.462 473 E N 3.690 123.556 120.200 -0.556 0.000 2.028 473 E HA 0.113 4.463 4.350 -0.000 0.000 0.266 473 E C -0.751 175.629 176.600 -0.366 0.000 0.962 473 E CA 0.338 56.529 56.400 -0.348 0.000 0.784 473 E CB 0.070 29.669 29.700 -0.168 0.000 1.114 473 E HN 0.914 nan 8.360 nan 0.000 0.414 474 W N 1.579 122.786 121.300 -0.154 0.000 3.290 474 W HA 0.060 4.720 4.660 -0.000 0.000 0.287 474 W C 0.626 177.081 176.519 -0.108 0.000 1.288 474 W CA -0.634 56.591 57.345 -0.201 0.000 1.725 474 W CB 0.840 30.142 29.460 -0.263 0.000 1.103 474 W HN 0.276 nan 8.180 nan 0.000 0.670 475 D N 1.152 121.634 120.400 0.137 0.000 2.393 475 D HA -0.012 4.628 4.640 -0.000 0.000 0.232 475 D C 1.416 177.733 176.300 0.029 0.000 1.192 475 D CA 0.357 54.399 54.000 0.071 0.000 0.882 475 D CB 0.770 41.597 40.800 0.044 0.000 1.038 475 D HN -0.013 nan 8.370 nan 0.000 0.499 476 E N 1.658 121.830 120.200 -0.046 0.000 2.271 476 E HA -0.271 4.079 4.350 -0.000 0.000 0.209 476 E C 1.757 178.284 176.600 -0.122 0.000 1.046 476 E CA 1.703 57.966 56.400 -0.229 0.000 0.840 476 E CB -0.443 29.125 29.700 -0.220 0.000 0.738 476 E HN 0.732 nan 8.360 nan 0.000 0.470 477 T N 0.028 114.564 114.554 -0.030 0.000 2.555 477 T HA -0.246 4.104 4.350 -0.000 0.000 0.264 477 T C 1.373 176.105 174.700 0.053 0.000 1.083 477 T CA 1.435 63.540 62.100 0.008 0.000 1.179 477 T CB -0.316 68.559 68.868 0.011 0.000 0.863 477 T HN -0.069 nan 8.240 nan 0.000 0.412 478 K N 2.200 122.638 120.400 0.063 0.000 2.245 478 K HA 0.097 4.417 4.320 -0.000 0.000 0.281 478 K C -1.177 175.534 176.600 0.184 0.000 1.079 478 K CA 0.096 56.431 56.287 0.080 0.000 1.000 478 K CB -0.924 31.599 32.500 0.038 0.000 1.038 478 K HN 0.653 nan 8.250 nan 0.000 0.430 479 H N 2.344 121.416 119.070 0.003 0.000 2.941 479 H HA 0.120 4.676 4.556 -0.000 0.000 0.291 479 H C -1.507 173.842 175.328 0.034 0.000 1.361 479 H CA -0.596 55.457 56.048 0.008 0.000 1.606 479 H CB 0.357 30.105 29.762 -0.022 0.000 1.848 479 H HN 0.606 nan 8.280 nan 0.000 0.601 480 D N 2.730 123.146 120.400 0.026 0.000 2.542 480 D HA -0.055 4.585 4.640 -0.000 0.000 0.242 480 D C 1.403 177.755 176.300 0.087 0.000 1.207 480 D CA 0.199 54.232 54.000 0.056 0.000 1.172 480 D CB 0.461 41.295 40.800 0.056 0.000 1.126 480 D HN 0.424 nan 8.370 nan 0.000 0.500 481 K N 2.036 122.497 120.400 0.101 0.000 2.032 481 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 481 K C 1.411 178.121 176.600 0.184 0.000 1.048 481 K CA 1.328 57.703 56.287 0.146 0.000 0.927 481 K CB -0.191 32.383 32.500 0.124 0.000 0.712 481 K HN 0.163 nan 8.250 nan 0.000 0.441 482 D N -0.310 120.165 120.400 0.125 0.000 2.265 482 D HA -0.157 4.483 4.640 -0.000 0.000 0.208 482 D C 1.609 178.006 176.300 0.162 0.000 0.977 482 D CA 0.747 54.813 54.000 0.111 0.000 0.871 482 D CB 0.029 40.859 40.800 0.051 0.000 0.925 482 D HN 0.267 nan 8.370 nan 0.000 0.485 483 L N -1.001 120.341 121.223 0.199 0.000 2.221 483 L HA 0.159 4.499 4.340 -0.000 0.000 0.202 483 L C 1.972 179.129 176.870 0.478 0.000 1.074 483 L CA 1.001 56.022 54.840 0.302 0.000 0.795 483 L CB -0.884 41.317 42.059 0.236 0.000 0.960 483 L HN -0.039 nan 8.230 nan 0.000 0.458 484 F N 0.605 120.664 119.950 0.183 0.000 2.102 484 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 484 F C 2.354 178.242 175.800 0.147 0.000 1.105 484 F CA 1.737 59.806 58.000 0.115 0.000 1.239 484 F CB -0.430 38.538 39.000 -0.054 0.000 0.991 484 F HN 0.159 nan 8.300 nan 0.000 0.474 485 A N 0.454 123.486 122.820 0.355 0.000 1.892 485 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 485 A C 2.116 179.768 177.584 0.115 0.000 1.188 485 A CA 1.802 53.967 52.037 0.214 0.000 0.631 485 A CB -1.702 17.404 19.000 0.178 0.000 0.822 485 A HN 0.568 nan 8.150 nan 0.000 0.447 486 F N -0.243 119.712 119.950 0.008 0.000 2.043 486 F HA -0.282 4.245 4.527 -0.000 0.000 0.297 486 F C 2.045 177.720 175.800 -0.208 0.000 1.118 486 F CA 1.847 59.785 58.000 -0.104 0.000 1.202 486 F CB -1.047 37.870 39.000 -0.138 0.000 0.965 486 F HN 0.325 nan 8.300 nan 0.000 0.482 487 Y N 1.081 121.038 120.300 -0.573 0.000 2.014 487 Y HA -0.327 4.223 4.550 -0.000 0.000 0.270 487 Y C 2.859 178.374 175.900 -0.642 0.000 1.145 487 Y CA 2.392 60.008 58.100 -0.807 0.000 1.106 487 Y CB -1.290 36.776 38.460 -0.657 0.000 0.968 487 Y HN 0.177 nan 8.280 nan 0.000 0.484 488 Q N -0.566 119.045 119.800 -0.315 0.000 2.065 488 Q HA -0.295 4.045 4.340 -0.000 0.000 0.213 488 Q C 2.100 177.992 176.000 -0.179 0.000 1.012 488 Q CA 2.822 58.495 55.803 -0.215 0.000 0.876 488 Q CB -0.879 27.811 28.738 -0.081 0.000 0.954 488 Q HN 0.517 nan 8.270 nan 0.000 0.413 489 T N 0.882 115.340 114.554 -0.159 0.000 2.570 489 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 489 T C 2.030 176.617 174.700 -0.188 0.000 1.071 489 T CA 1.746 63.773 62.100 -0.123 0.000 1.172 489 T CB -0.680 68.140 68.868 -0.080 0.000 0.864 489 T HN 0.079 nan 8.240 nan 0.000 0.421 490 V N 1.298 120.980 119.914 -0.386 0.000 2.380 490 V HA -0.205 3.915 4.120 -0.000 0.000 0.251 490 V C 2.347 178.257 176.094 -0.306 0.000 1.063 490 V CA 1.586 63.613 62.300 -0.456 0.000 1.055 490 V CB -0.747 30.482 31.823 -0.991 0.000 0.657 490 V HN 0.456 nan 8.190 nan 0.000 0.455 491 I N -0.919 119.444 120.570 -0.345 0.000 2.060 491 I HA -0.192 3.978 4.170 -0.000 0.000 0.233 491 I C 2.710 178.846 176.117 0.031 0.000 1.054 491 I CA 1.376 62.622 61.300 -0.090 0.000 1.318 491 I CB -0.645 37.297 38.000 -0.097 0.000 1.054 491 I HN 0.139 nan 8.210 nan 0.000 0.395 492 R N 0.798 121.291 120.500 -0.012 0.000 2.133 492 R HA -0.207 4.133 4.340 -0.000 0.000 0.247 492 R C 2.229 178.558 176.300 0.048 0.000 1.151 492 R CA 1.451 57.561 56.100 0.017 0.000 0.971 492 R CB -1.358 28.942 30.300 0.001 0.000 0.866 492 R HN 0.456 nan 8.270 nan 0.000 0.447 493 L N 0.615 121.863 121.223 0.041 0.000 2.012 493 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 493 L C 2.610 179.566 176.870 0.143 0.000 1.073 493 L CA 1.529 56.427 54.840 0.098 0.000 0.748 493 L CB -0.176 41.908 42.059 0.043 0.000 0.891 493 L HN 0.002 nan 8.230 nan 0.000 0.431 494 R N -0.513 120.069 120.500 0.135 0.000 2.159 494 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 494 R C 2.185 178.552 176.300 0.113 0.000 1.131 494 R CA 1.391 57.581 56.100 0.150 0.000 0.982 494 R CB -0.149 30.300 30.300 0.248 0.000 0.868 494 R HN 0.471 nan 8.270 nan 0.000 0.453 495 Q N -0.996 118.864 119.800 0.100 0.000 2.165 495 Q HA 0.169 4.509 4.340 -0.000 0.000 0.197 495 Q C 2.063 178.088 176.000 0.042 0.000 0.952 495 Q CA 1.238 57.078 55.803 0.062 0.000 0.848 495 Q CB -0.348 28.416 28.738 0.044 0.000 0.931 495 Q HN 0.374 nan 8.270 nan 0.000 0.470 496 A N 0.873 123.724 122.820 0.052 0.000 2.042 496 A HA -0.177 4.143 4.320 -0.000 0.000 0.222 496 A C 0.243 177.651 177.584 -0.293 0.000 1.167 496 A CA 1.519 53.518 52.037 -0.063 0.000 0.649 496 A CB -0.385 18.640 19.000 0.040 0.000 0.809 496 A HN 0.368 nan 8.150 nan 0.000 0.457 497 H N -4.963 114.123 119.070 0.026 0.000 2.907 497 H HA 0.675 5.231 4.556 -0.000 0.000 0.361 497 H C 0.699 176.042 175.328 0.024 0.000 1.194 497 H CA -0.133 55.931 56.048 0.027 0.000 1.152 497 H CB 1.702 31.486 29.762 0.037 0.000 1.867 497 H HN 0.019 nan 8.280 nan 0.000 0.561 498 A N 0.444 123.355 122.820 0.150 0.000 2.108 498 A HA 0.380 4.700 4.320 -0.000 0.000 0.206 498 A C 2.030 179.663 177.584 0.082 0.000 1.212 498 A CA 0.762 52.850 52.037 0.085 0.000 0.843 498 A CB -0.503 18.530 19.000 0.055 0.000 0.902 498 A HN 0.675 nan 8.150 nan 0.000 0.477 499 A N 0.538 123.423 122.820 0.109 0.000 1.908 499 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 499 A C 2.048 179.676 177.584 0.073 0.000 1.181 499 A CA 1.600 53.691 52.037 0.089 0.000 0.627 499 A CB -0.652 18.405 19.000 0.095 0.000 0.818 499 A HN 0.457 nan 8.150 nan 0.000 0.445 500 L N -1.222 120.043 121.223 0.069 0.000 2.141 500 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 500 L C 2.820 179.682 176.870 -0.013 0.000 1.094 500 L CA 1.066 55.921 54.840 0.026 0.000 0.763 500 L CB -0.523 41.561 42.059 0.042 0.000 0.908 500 L HN 0.353 nan 8.230 nan 0.000 0.437 501 R N 0.151 120.662 120.500 0.017 0.000 2.109 501 R HA -0.104 4.236 4.340 -0.000 0.000 0.227 501 R C 1.108 177.399 176.300 -0.015 0.000 1.132 501 R CA 2.005 58.099 56.100 -0.010 0.000 0.907 501 R CB -0.578 29.729 30.300 0.012 0.000 0.825 501 R HN 0.397 nan 8.270 nan 0.000 0.432 502 T N -2.632 111.925 114.554 0.005 0.000 3.748 502 T HA 0.337 4.687 4.350 -0.000 0.000 0.281 502 T C 0.248 174.949 174.700 0.000 0.000 0.977 502 T CA -0.409 61.683 62.100 -0.013 0.000 1.056 502 T CB 0.880 69.716 68.868 -0.052 0.000 1.138 502 T HN 0.309 nan 8.240 nan 0.000 0.498 503 G N 1.681 110.512 108.800 0.052 0.000 2.494 503 G HA2 0.504 4.464 3.960 -0.000 0.000 0.270 503 G HA3 0.504 4.464 3.960 -0.000 0.000 0.270 503 G C 0.649 175.602 174.900 0.088 0.000 1.423 503 G CA 0.051 45.189 45.100 0.063 0.000 1.055 503 G HN 0.593 nan 8.290 nan 0.000 0.536 504 T N -3.436 111.179 114.554 0.102 0.000 3.568 504 T HA 0.391 4.741 4.350 -0.000 0.000 0.406 504 T C -0.387 174.494 174.700 0.301 0.000 1.191 504 T CA 0.476 62.656 62.100 0.133 0.000 1.041 504 T CB 0.417 69.341 68.868 0.093 0.000 1.593 504 T HN 1.052 nan 8.240 nan 0.000 0.529 505 F N 0.239 120.216 119.950 0.045 0.000 3.819 505 F HA 0.336 4.863 4.527 0.000 0.000 0.429 505 F C -0.378 175.420 175.800 -0.003 0.000 0.922 505 F CA -0.844 57.157 58.000 0.002 0.000 1.630 505 F CB -0.029 39.017 39.000 0.076 0.000 2.537 505 F HN 0.608 nan 8.300 nan 0.000 0.827 506 K N 1.890 122.109 120.400 -0.301 0.000 2.762 506 K HA 0.780 5.100 4.320 -0.000 0.000 0.292 506 K C -1.322 174.977 176.600 -0.502 0.000 1.008 506 K CA -0.717 55.436 56.287 -0.225 0.000 1.142 506 K CB 1.123 33.589 32.500 -0.057 0.000 1.490 506 K HN 0.231 nan 8.250 nan 0.000 0.581 507 F N -0.059 119.814 119.950 -0.128 0.000 2.672 507 F HA 0.210 4.737 4.527 -0.000 0.000 0.311 507 F C -0.527 175.248 175.800 -0.043 0.000 1.113 507 F CA -0.607 57.347 58.000 -0.076 0.000 0.996 507 F CB 1.219 40.172 39.000 -0.079 0.000 1.286 507 F HN 0.149 nan 8.300 nan 0.000 0.441 508 L N 1.696 123.023 121.223 0.172 0.000 3.016 508 L HA 0.386 4.726 4.340 -0.000 0.000 0.267 508 L C -0.358 176.547 176.870 0.058 0.000 1.182 508 L CA 0.126 55.011 54.840 0.076 0.000 0.997 508 L CB 0.534 42.602 42.059 0.016 0.000 1.354 508 L HN 0.634 nan 8.230 nan 0.000 0.569 509 T N -3.451 111.163 114.554 0.100 0.000 3.709 509 T HA 0.669 5.019 4.350 -0.000 0.000 0.378 509 T C -0.098 174.600 174.700 -0.004 0.000 1.352 509 T CA -0.117 61.997 62.100 0.024 0.000 1.144 509 T CB 1.625 70.490 68.868 -0.005 0.000 1.289 509 T HN -0.131 nan 8.240 nan 0.000 0.476 510 A N 1.468 124.225 122.820 -0.105 0.000 2.604 510 A HA 0.401 4.721 4.320 -0.000 0.000 0.157 510 A C 0.373 177.818 177.584 -0.232 0.000 1.680 510 A CA 0.025 51.935 52.037 -0.212 0.000 1.227 510 A CB -0.207 18.583 19.000 -0.349 0.000 1.493 510 A HN 1.046 nan 8.150 nan 0.000 0.453 511 E N 2.348 122.448 120.200 -0.167 0.000 3.483 511 E HA -0.240 4.110 4.350 -0.000 0.000 0.319 511 E C 0.152 176.649 176.600 -0.173 0.000 0.731 511 E CA 1.183 57.496 56.400 -0.145 0.000 1.104 511 E CB 0.012 29.654 29.700 -0.095 0.000 0.841 511 E HN 0.547 nan 8.360 nan 0.000 0.518 512 K N 2.770 123.065 120.400 -0.175 0.000 2.589 512 K HA -0.258 4.062 4.320 -0.000 0.000 0.215 512 K C 0.748 177.253 176.600 -0.160 0.000 0.669 512 K CA 2.089 58.273 56.287 -0.172 0.000 0.850 512 K CB -0.428 32.006 32.500 -0.109 0.000 0.275 512 K HN 0.592 nan 8.250 nan 0.000 1.053 513 N N 1.911 120.544 118.700 -0.111 0.000 2.874 513 N HA -0.005 4.735 4.740 -0.000 0.000 0.316 513 N C -0.892 174.560 175.510 -0.098 0.000 1.205 513 N CA 0.499 53.492 53.050 -0.096 0.000 1.180 513 N CB -0.084 38.364 38.487 -0.065 0.000 1.450 513 N HN 0.181 nan 8.380 nan 0.000 0.528 514 S N -0.142 115.478 115.700 -0.133 0.000 2.618 514 S HA 0.505 4.975 4.470 -0.000 0.000 0.277 514 S C 0.698 175.207 174.600 -0.151 0.000 1.138 514 S CA -0.759 57.359 58.200 -0.138 0.000 0.844 514 S CB 2.512 65.623 63.200 -0.148 0.000 1.127 514 S HN 0.397 nan 8.310 nan 0.000 0.474 515 R N 0.030 120.431 120.500 -0.166 0.000 2.569 515 R HA 0.221 4.561 4.340 -0.000 0.000 0.422 515 R C -1.045 175.126 176.300 -0.215 0.000 0.980 515 R CA -0.143 55.876 56.100 -0.136 0.000 1.164 515 R CB 0.739 30.930 30.300 -0.181 0.000 1.520 515 R HN 0.406 nan 8.270 nan 0.000 0.567 516 Q N 0.843 120.497 119.800 -0.244 0.000 2.333 516 Q HA 0.425 4.765 4.340 -0.000 0.000 0.265 516 Q C -1.101 174.832 176.000 -0.111 0.000 0.989 516 Q CA -0.424 55.224 55.803 -0.258 0.000 0.842 516 Q CB 2.269 30.749 28.738 -0.430 0.000 1.262 516 Q HN 0.039 nan 8.270 nan 0.000 0.451 517 I N 1.452 122.008 120.570 -0.022 0.000 2.603 517 I HA 0.861 5.031 4.170 -0.000 0.000 0.300 517 I C -1.485 174.682 176.117 0.084 0.000 1.017 517 I CA -0.946 60.437 61.300 0.138 0.000 1.098 517 I CB 1.834 40.049 38.000 0.357 0.000 1.279 517 I HN 0.652 nan 8.210 nan 0.000 0.437 518 A N 6.396 129.299 122.820 0.139 0.000 2.488 518 A HA 0.751 5.071 4.320 -0.000 0.000 0.295 518 A C -1.899 175.656 177.584 -0.048 0.000 1.045 518 A CA -0.449 51.525 52.037 -0.105 0.000 0.703 518 A CB 0.737 19.679 19.000 -0.096 0.000 1.271 518 A HN 0.787 nan 8.150 nan 0.000 0.400 519 Y N 0.447 120.658 120.300 -0.147 0.000 2.677 519 Y HA 0.874 5.424 4.550 0.000 0.000 0.334 519 Y C -1.130 174.600 175.900 -0.283 0.000 1.154 519 Y CA -1.804 56.000 58.100 -0.494 0.000 1.070 519 Y CB 1.267 39.031 38.460 -1.160 0.000 1.294 519 Y HN 0.664 nan 8.280 nan 0.000 0.475 520 L N 2.050 123.219 121.223 -0.090 0.000 2.388 520 L HA 0.719 5.059 4.340 -0.000 0.000 0.264 520 L C -1.339 175.575 176.870 0.074 0.000 0.998 520 L CA -0.779 54.064 54.840 0.005 0.000 0.817 520 L CB 2.243 44.294 42.059 -0.014 0.000 1.338 520 L HN 1.025 nan 8.230 nan 0.000 0.414 521 R N 2.779 123.347 120.500 0.113 0.000 2.739 521 R HA 0.727 5.067 4.340 -0.000 0.000 0.271 521 R C -1.473 174.884 176.300 0.095 0.000 1.010 521 R CA -0.845 55.335 56.100 0.134 0.000 0.897 521 R CB 2.878 33.281 30.300 0.171 0.000 1.236 521 R HN 0.769 nan 8.270 nan 0.000 0.466 522 E N 0.525 120.778 120.200 0.087 0.000 2.389 522 E HA 0.257 4.607 4.350 -0.000 0.000 0.281 522 E C -1.708 174.931 176.600 0.066 0.000 1.111 522 E CA -0.918 55.528 56.400 0.077 0.000 0.869 522 E CB 1.421 31.163 29.700 0.071 0.000 1.259 522 E HN 0.419 nan 8.360 nan 0.000 0.434 523 D N 0.112 120.551 120.400 0.065 0.000 2.689 523 D HA 0.139 4.779 4.640 -0.000 0.000 0.255 523 D C -0.613 175.716 176.300 0.048 0.000 1.113 523 D CA -0.584 53.448 54.000 0.052 0.000 1.115 523 D CB 1.031 41.861 40.800 0.051 0.000 1.334 523 D HN 0.476 nan 8.370 nan 0.000 0.621 524 D N -0.039 120.384 120.400 0.039 0.000 3.085 524 D HA 0.023 4.663 4.640 -0.000 0.000 0.243 524 D C -0.018 176.299 176.300 0.029 0.000 1.232 524 D CA 0.334 54.355 54.000 0.036 0.000 0.913 524 D CB 0.212 41.031 40.800 0.031 0.000 1.108 524 D HN 0.271 nan 8.370 nan 0.000 0.468 525 Q N -0.561 119.259 119.800 0.033 0.000 2.305 525 Q HA 0.100 4.440 4.340 -0.000 0.000 0.176 525 Q C -0.469 175.549 176.000 0.030 0.000 0.708 525 Q CA -0.144 55.670 55.803 0.018 0.000 0.888 525 Q CB 0.322 29.066 28.738 0.010 0.000 1.240 525 Q HN 0.146 nan 8.270 nan 0.000 0.392 526 D N 0.658 121.095 120.400 0.062 0.000 2.787 526 D HA 0.453 5.093 4.640 -0.000 0.000 0.246 526 D C -0.965 175.395 176.300 0.100 0.000 1.150 526 D CA -0.432 53.625 54.000 0.095 0.000 0.864 526 D CB 2.153 43.051 40.800 0.163 0.000 1.481 526 D HN -0.019 nan 8.370 nan 0.000 0.509 527 T N 3.148 117.756 114.554 0.089 0.000 2.809 527 T HA 0.381 4.731 4.350 -0.000 0.000 0.296 527 T C 0.267 175.014 174.700 0.077 0.000 1.015 527 T CA -0.752 61.397 62.100 0.082 0.000 0.954 527 T CB 0.571 69.488 68.868 0.081 0.000 0.950 527 T HN 0.488 nan 8.240 nan 0.000 0.450 528 I N 3.089 123.691 120.570 0.053 0.000 2.822 528 I HA 0.786 4.956 4.170 -0.000 0.000 0.312 528 I C -1.124 175.012 176.117 0.031 0.000 1.011 528 I CA -1.980 59.332 61.300 0.020 0.000 1.105 528 I CB 1.437 39.387 38.000 -0.083 0.000 1.291 528 I HN 0.647 nan 8.210 nan 0.000 0.474 529 L N 3.337 124.560 121.223 -0.000 0.000 2.476 529 L HA 0.758 5.098 4.340 -0.000 0.000 0.269 529 L C -1.189 175.595 176.870 -0.144 0.000 0.965 529 L CA -0.841 53.963 54.840 -0.061 0.000 0.845 529 L CB 1.430 43.455 42.059 -0.058 0.000 1.259 529 L HN 0.359 nan 8.230 nan 0.000 0.403 530 V N 3.394 123.138 119.914 -0.282 0.000 2.532 530 V HA 0.709 4.829 4.120 -0.000 0.000 0.295 530 V C 0.072 175.849 176.094 -0.529 0.000 1.041 530 V CA -0.492 61.582 62.300 -0.376 0.000 0.926 530 V CB 2.247 33.860 31.823 -0.349 0.000 0.992 530 V HN 0.617 nan 8.190 nan 0.000 0.457 531 V N 4.979 124.724 119.914 -0.282 0.000 2.888 531 V HA 0.620 4.740 4.120 -0.000 0.000 0.309 531 V C -0.487 175.564 176.094 -0.073 0.000 1.114 531 V CA -0.525 61.653 62.300 -0.203 0.000 0.940 531 V CB 2.074 33.790 31.823 -0.178 0.000 1.021 531 V HN 0.871 nan 8.190 nan 0.000 0.426 532 M N 3.411 122.997 119.600 -0.023 0.000 2.484 532 M HA 0.531 5.011 4.480 -0.000 0.000 0.289 532 M C -1.194 175.053 176.300 -0.089 0.000 1.206 532 M CA -0.588 54.726 55.300 0.023 0.000 0.892 532 M CB 2.533 35.244 32.600 0.185 0.000 1.712 532 M HN 0.654 nan 8.290 nan 0.000 0.462 533 N N 0.896 119.509 118.700 -0.145 0.000 2.442 533 N HA 0.368 5.108 4.740 -0.000 0.000 0.274 533 N C -0.940 174.256 175.510 -0.522 0.000 1.002 533 N CA -0.325 52.554 53.050 -0.286 0.000 0.910 533 N CB 1.025 39.386 38.487 -0.209 0.000 1.244 533 N HN 0.757 nan 8.380 nan 0.000 0.492 534 N N 1.687 120.024 118.700 -0.605 0.000 2.424 534 N HA -0.022 4.718 4.740 -0.000 0.000 0.178 534 N C -0.773 174.230 175.510 -0.846 0.000 1.060 534 N CA -0.146 52.394 53.050 -0.850 0.000 0.901 534 N CB 0.145 38.188 38.487 -0.740 0.000 0.979 534 N HN 0.644 nan 8.380 nan 0.000 0.451 535 D N 1.097 121.175 120.400 -0.536 0.000 2.694 535 D HA -0.116 4.524 4.640 -0.000 0.000 0.223 535 D C 0.847 176.938 176.300 -0.349 0.000 1.158 535 D CA 0.896 54.703 54.000 -0.321 0.000 0.859 535 D CB 0.611 41.324 40.800 -0.145 0.000 1.210 535 D HN 0.031 nan 8.370 nan 0.000 0.506 536 K N 0.593 120.923 120.400 -0.116 0.000 2.442 536 K HA 0.045 4.365 4.320 -0.000 0.000 0.199 536 K C 0.415 177.087 176.600 0.120 0.000 1.044 536 K CA 0.867 57.189 56.287 0.057 0.000 0.941 536 K CB 0.125 32.653 32.500 0.047 0.000 0.759 536 K HN 0.443 nan 8.250 nan 0.000 0.472 537 A N -0.365 122.461 122.820 0.011 0.000 2.806 537 A HA 0.558 4.878 4.320 -0.000 0.000 0.310 537 A C -0.393 177.185 177.584 -0.011 0.000 1.169 537 A CA -0.428 51.633 52.037 0.038 0.000 0.621 537 A CB -0.355 18.657 19.000 0.019 0.000 1.412 537 A HN 0.120 nan 8.150 nan 0.000 0.576 538 G N -0.717 108.065 108.800 -0.031 0.000 2.818 538 G HA2 0.420 4.380 3.960 -0.000 0.000 0.235 538 G HA3 0.420 4.380 3.960 -0.000 0.000 0.235 538 G C -0.152 174.756 174.900 0.012 0.000 1.244 538 G CA 1.083 46.154 45.100 -0.048 0.000 0.853 538 G HN 1.362 nan 8.290 nan 0.000 0.596 539 H N -0.855 118.154 119.070 -0.103 0.000 3.098 539 H HA 0.190 4.746 4.556 -0.000 0.000 0.293 539 H C -0.899 174.374 175.328 -0.093 0.000 1.231 539 H CA -0.414 55.575 56.048 -0.099 0.000 1.592 539 H CB 0.711 30.404 29.762 -0.114 0.000 2.251 539 H HN 0.543 nan 8.280 nan 0.000 0.415 540 T N 5.691 120.281 114.554 0.061 0.000 2.907 540 T HA 0.603 4.953 4.350 -0.000 0.000 0.284 540 T C 0.577 175.353 174.700 0.127 0.000 1.004 540 T CA -0.625 61.506 62.100 0.051 0.000 1.063 540 T CB 1.002 69.844 68.868 -0.043 0.000 0.992 540 T HN 0.292 nan 8.240 nan 0.000 0.483 541 L N 1.525 122.770 121.223 0.037 0.000 2.301 541 L HA 0.750 5.090 4.340 -0.000 0.000 0.264 541 L C -0.211 176.644 176.870 -0.025 0.000 1.016 541 L CA -1.046 53.803 54.840 0.014 0.000 0.821 541 L CB 2.284 44.322 42.059 -0.036 0.000 1.346 541 L HN 0.577 nan 8.230 nan 0.000 0.429 542 T N 2.872 117.412 114.554 -0.023 0.000 2.991 542 T HA 0.713 5.063 4.350 -0.000 0.000 0.303 542 T C -0.916 173.766 174.700 -0.030 0.000 1.015 542 T CA -0.563 61.520 62.100 -0.029 0.000 1.007 542 T CB 1.626 70.484 68.868 -0.017 0.000 1.034 542 T HN 0.590 nan 8.240 nan 0.000 0.446 543 L N 0.815 122.017 121.223 -0.035 0.000 2.672 543 L HA 0.777 5.117 4.340 -0.000 0.000 0.256 543 L C -3.260 173.598 176.870 -0.019 0.000 0.946 543 L CA -2.332 52.490 54.840 -0.029 0.000 0.889 543 L CB 2.253 44.287 42.059 -0.041 0.000 1.441 543 L HN 0.291 nan 8.230 nan 0.000 0.418 544 P HA 0.456 nan 4.420 nan 0.000 0.276 544 P C -0.828 176.480 177.300 0.013 0.000 1.252 544 P CA -0.277 62.828 63.100 0.008 0.000 0.802 544 P CB 2.244 33.946 31.700 0.003 0.000 1.035 545 V N -1.547 118.380 119.914 0.021 0.000 3.080 545 V HA 0.639 4.759 4.120 -0.000 0.000 0.311 545 V C -0.374 175.660 176.094 -0.100 0.000 1.389 545 V CA -1.240 61.084 62.300 0.039 0.000 1.049 545 V CB 1.526 33.484 31.823 0.225 0.000 1.078 545 V HN 0.400 nan 8.190 nan 0.000 0.468 546 R N -0.653 119.791 120.500 -0.093 0.000 2.691 546 R HA 0.612 4.952 4.340 -0.000 0.000 0.259 546 R C 0.635 176.735 176.300 -0.334 0.000 1.048 546 R CA -0.638 55.306 56.100 -0.260 0.000 1.086 546 R CB 0.815 31.063 30.300 -0.087 0.000 1.166 546 R HN 0.893 nan 8.270 nan 0.000 0.526 547 H N 0.107 119.149 119.070 -0.046 0.000 2.476 547 H HA 0.112 4.668 4.556 -0.000 0.000 0.292 547 H C 1.836 177.135 175.328 -0.048 0.000 1.019 547 H CA 0.959 56.937 56.048 -0.117 0.000 1.330 547 H CB -0.102 29.588 29.762 -0.121 0.000 1.451 547 H HN 0.760 nan 8.280 nan 0.000 0.535 548 A N 1.848 124.736 122.820 0.113 0.000 1.944 548 A HA -0.317 4.003 4.320 -0.000 0.000 0.222 548 A C 1.662 179.361 177.584 0.191 0.000 1.237 548 A CA 1.855 53.966 52.037 0.124 0.000 0.668 548 A CB -0.667 18.393 19.000 0.099 0.000 0.830 548 A HN 0.419 nan 8.150 nan 0.000 0.471 549 Q N -3.191 116.714 119.800 0.176 0.000 2.779 549 Q HA 0.158 4.498 4.340 -0.000 0.000 0.187 549 Q C 0.860 177.128 176.000 0.446 0.000 1.187 549 Q CA 1.142 57.104 55.803 0.265 0.000 1.274 549 Q CB -0.092 28.736 28.738 0.150 0.000 1.504 549 Q HN 0.703 nan 8.270 nan 0.000 0.683 550 W N -2.212 119.110 121.300 0.036 0.000 3.520 550 W HA 0.308 4.968 4.660 0.000 0.000 0.223 550 W C -0.012 176.584 176.519 0.128 0.000 1.110 550 W CA 0.566 57.947 57.345 0.060 0.000 1.552 550 W CB 0.541 30.025 29.460 0.040 0.000 0.775 550 W HN 0.500 nan 8.180 nan 0.000 0.794 551 T N -2.132 112.583 114.554 0.267 0.000 2.646 551 T HA 0.280 4.630 4.350 -0.000 0.000 0.297 551 T C -1.744 172.747 174.700 -0.349 0.000 1.363 551 T CA -0.534 61.606 62.100 0.067 0.000 1.056 551 T CB 2.138 71.081 68.868 0.125 0.000 1.779 551 T HN -0.280 nan 8.240 nan 0.000 0.459 552 H N 0.940 119.953 119.070 -0.094 0.000 3.021 552 H HA 0.412 4.968 4.556 -0.000 0.000 0.293 552 H C -1.518 173.806 175.328 -0.006 0.000 1.244 552 H CA -0.501 55.488 56.048 -0.099 0.000 1.596 552 H CB 0.334 29.954 29.762 -0.236 0.000 1.720 552 H HN 0.139 nan 8.280 nan 0.000 0.537 553 L N 2.188 123.508 121.223 0.161 0.000 2.260 553 L HA 0.129 4.469 4.340 -0.000 0.000 0.289 553 L C 0.312 177.323 176.870 0.235 0.000 1.057 553 L CA -0.450 54.494 54.840 0.173 0.000 0.811 553 L CB 0.276 42.419 42.059 0.140 0.000 1.184 553 L HN 0.431 nan 8.230 nan 0.000 0.429 554 W N 3.411 124.731 121.300 0.033 0.000 2.520 554 W HA -0.013 4.647 4.660 -0.000 0.000 0.337 554 W C 1.120 177.652 176.519 0.021 0.000 1.406 554 W CA -0.018 57.337 57.345 0.017 0.000 1.318 554 W CB 0.248 29.715 29.460 0.012 0.000 1.338 554 W HN 0.720 nan 8.180 nan 0.000 0.570 555 Q N 3.833 123.884 119.800 0.418 0.000 1.806 555 Q HA -0.224 4.116 4.340 -0.000 0.000 0.277 555 Q C 1.783 177.797 176.000 0.024 0.000 0.993 555 Q CA 2.694 58.606 55.803 0.182 0.000 0.888 555 Q CB -0.547 28.283 28.738 0.153 0.000 0.941 555 Q HN 0.586 nan 8.270 nan 0.000 0.420 556 D N 0.487 120.881 120.400 -0.009 0.000 2.421 556 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 556 D C 1.125 177.241 176.300 -0.307 0.000 1.022 556 D CA 1.940 55.856 54.000 -0.140 0.000 0.871 556 D CB -0.365 40.366 40.800 -0.115 0.000 1.026 556 D HN 0.381 nan 8.370 nan 0.000 0.462 557 D N -0.257 119.726 120.400 -0.695 0.000 2.378 557 D HA -0.028 4.612 4.640 -0.000 0.000 0.227 557 D C 0.624 176.698 176.300 -0.376 0.000 1.012 557 D CA 0.234 53.831 54.000 -0.671 0.000 0.905 557 D CB 0.319 40.392 40.800 -1.212 0.000 0.895 557 D HN 0.017 nan 8.370 nan 0.000 0.532 558 V N 0.405 120.185 119.914 -0.224 0.000 3.669 558 V HA -0.305 3.815 4.120 -0.000 0.000 0.202 558 V C 0.836 176.932 176.094 0.003 0.000 0.483 558 V CA 0.683 62.952 62.300 -0.052 0.000 1.003 558 V CB -2.312 29.486 31.823 -0.042 0.000 1.111 558 V HN 0.328 nan 8.190 nan 0.000 1.168 559 L N -0.226 121.011 121.223 0.024 0.000 2.600 559 L HA 0.609 4.949 4.340 -0.000 0.000 0.221 559 L C 0.667 177.695 176.870 0.262 0.000 1.197 559 L CA 0.359 55.302 54.840 0.172 0.000 0.838 559 L CB 1.436 43.700 42.059 0.342 0.000 1.474 559 L HN 0.279 nan 8.230 nan 0.000 0.514 560 T N 1.351 116.052 114.554 0.244 0.000 2.937 560 T HA 0.653 5.003 4.350 -0.000 0.000 0.297 560 T C -0.900 173.881 174.700 0.135 0.000 0.991 560 T CA -0.374 61.834 62.100 0.181 0.000 0.990 560 T CB 1.479 70.424 68.868 0.129 0.000 0.991 560 T HN 0.728 nan 8.240 nan 0.000 0.440 561 A N 2.437 125.313 122.820 0.094 0.000 2.312 561 A HA 0.930 5.250 4.320 -0.000 0.000 0.328 561 A C 0.054 177.650 177.584 0.020 0.000 1.158 561 A CA -0.754 51.289 52.037 0.009 0.000 0.821 561 A CB 0.717 19.658 19.000 -0.099 0.000 1.170 561 A HN 1.051 nan 8.150 nan 0.000 0.490 562 A N 0.621 123.442 122.820 0.002 0.000 2.340 562 A HA 0.581 4.901 4.320 -0.000 0.000 0.331 562 A C 0.710 178.314 177.584 0.033 0.000 1.140 562 A CA -0.624 51.425 52.037 0.020 0.000 0.801 562 A CB 0.223 19.261 19.000 0.063 0.000 1.234 562 A HN 0.935 nan 8.150 nan 0.000 0.469 563 H N 2.026 121.204 119.070 0.180 0.000 2.390 563 H HA -0.130 4.426 4.556 -0.000 0.000 0.298 563 H C 1.986 177.364 175.328 0.083 0.000 1.106 563 H CA 1.870 58.021 56.048 0.171 0.000 1.297 563 H CB -0.217 29.638 29.762 0.155 0.000 1.375 563 H HN 1.203 nan 8.280 nan 0.000 0.509 564 G N 0.824 109.739 108.800 0.191 0.000 2.629 564 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.313 564 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.313 564 G C 0.314 175.274 174.900 0.100 0.000 1.217 564 G CA 0.848 46.012 45.100 0.107 0.000 0.994 564 G HN 0.477 nan 8.290 nan 0.000 0.549 565 Q N -0.329 119.513 119.800 0.069 0.000 2.870 565 Q HA 0.472 4.812 4.340 -0.000 0.000 0.193 565 Q C 1.760 177.809 176.000 0.081 0.000 1.148 565 Q CA -0.075 55.762 55.803 0.057 0.000 1.212 565 Q CB 0.192 28.951 28.738 0.036 0.000 1.290 565 Q HN 0.480 nan 8.270 nan 0.000 0.686 566 L N 0.554 121.818 121.223 0.068 0.000 2.749 566 L HA -0.002 4.338 4.340 -0.000 0.000 0.245 566 L C 0.196 177.106 176.870 0.068 0.000 1.156 566 L CA 0.219 55.109 54.840 0.082 0.000 0.890 566 L CB -1.042 41.057 42.059 0.067 0.000 1.036 566 L HN 0.631 nan 8.230 nan 0.000 0.441 567 T N -3.950 110.642 114.554 0.063 0.000 2.952 567 T HA 0.503 4.853 4.350 -0.000 0.000 0.305 567 T C -0.511 174.208 174.700 0.031 0.000 1.064 567 T CA -0.687 61.437 62.100 0.039 0.000 1.008 567 T CB 2.116 70.993 68.868 0.015 0.000 1.078 567 T HN -0.281 nan 8.240 nan 0.000 0.459 568 V N 3.167 123.080 119.914 -0.001 0.000 2.461 568 V HA 0.396 4.516 4.120 -0.000 0.000 0.275 568 V C 0.649 176.693 176.094 -0.084 0.000 1.047 568 V CA -0.697 61.569 62.300 -0.057 0.000 0.955 568 V CB 1.261 32.976 31.823 -0.180 0.000 0.988 568 V HN 0.955 nan 8.190 nan 0.000 0.471 569 K N 5.693 126.048 120.400 -0.075 0.000 2.297 569 K HA 0.526 4.846 4.320 -0.000 0.000 0.286 569 K C -1.177 175.349 176.600 -0.122 0.000 1.053 569 K CA -0.398 55.842 56.287 -0.078 0.000 0.940 569 K CB 0.821 33.288 32.500 -0.054 0.000 1.019 569 K HN 0.653 nan 8.250 nan 0.000 0.475 570 L N 6.994 128.142 121.223 -0.124 0.000 2.406 570 L HA 0.515 4.855 4.340 -0.000 0.000 0.272 570 L C -2.725 174.069 176.870 -0.126 0.000 0.980 570 L CA -1.933 52.806 54.840 -0.168 0.000 0.831 570 L CB 2.433 44.374 42.059 -0.197 0.000 1.253 570 L HN 0.570 nan 8.230 nan 0.000 0.406 571 P HA 0.457 nan 4.420 nan 0.000 0.294 571 P C -1.563 175.704 177.300 -0.055 0.000 1.294 571 P CA -0.441 62.612 63.100 -0.079 0.000 0.827 571 P CB 1.855 33.516 31.700 -0.064 0.000 0.992 572 A N 2.602 125.423 122.820 0.000 0.000 2.311 572 A HA 0.314 4.634 4.320 -0.000 0.000 0.306 572 A C 0.085 177.728 177.584 0.098 0.000 1.189 572 A CA -0.375 51.687 52.037 0.042 0.000 0.791 572 A CB 0.130 19.126 19.000 -0.007 0.000 1.172 572 A HN 0.501 nan 8.150 nan 0.000 0.481 573 Y N 2.221 122.536 120.300 0.026 0.000 2.315 573 Y HA 0.004 4.554 4.550 -0.000 0.000 0.288 573 Y C 1.949 177.890 175.900 0.069 0.000 1.154 573 Y CA 2.578 60.710 58.100 0.053 0.000 1.229 573 Y CB 0.398 38.905 38.460 0.079 0.000 0.980 573 Y HN 0.917 nan 8.280 nan 0.000 0.540 574 G N -3.647 105.271 108.800 0.198 0.000 3.724 574 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.212 574 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.212 574 G C -0.098 174.830 174.900 0.047 0.000 0.928 574 G CA -0.268 44.931 45.100 0.165 0.000 0.879 574 G HN 0.079 nan 8.290 nan 0.000 0.424 575 F N 1.854 121.824 119.950 0.034 0.000 2.577 575 F HA 0.649 5.176 4.527 -0.000 0.000 0.359 575 F C 0.745 176.556 175.800 0.018 0.000 1.535 575 F CA -0.752 57.244 58.000 -0.006 0.000 1.093 575 F CB 1.106 40.086 39.000 -0.032 0.000 1.613 575 F HN 0.290 nan 8.300 nan 0.000 0.558 576 A N 0.681 123.565 122.820 0.107 0.000 2.888 576 A HA 0.159 4.479 4.320 -0.000 0.000 0.290 576 A C 1.108 178.753 177.584 0.102 0.000 1.736 576 A CA 0.342 52.437 52.037 0.096 0.000 1.244 576 A CB -0.763 18.253 19.000 0.027 0.000 0.973 576 A HN 0.375 nan 8.150 nan 0.000 0.595 577 V N 3.004 122.995 119.914 0.127 0.000 3.593 577 V HA -0.069 4.051 4.120 -0.000 0.000 0.275 577 V C 0.422 176.616 176.094 0.166 0.000 1.237 577 V CA 0.396 62.777 62.300 0.136 0.000 1.194 577 V CB -1.442 30.438 31.823 0.095 0.000 0.949 577 V HN 0.622 nan 8.190 nan 0.000 0.467 578 L N 2.379 123.691 121.223 0.147 0.000 2.319 578 L HA 0.483 4.823 4.340 -0.000 0.000 0.280 578 L C 0.074 176.978 176.870 0.056 0.000 1.099 578 L CA 0.282 55.222 54.840 0.167 0.000 0.828 578 L CB 0.721 42.797 42.059 0.030 0.000 1.150 578 L HN 0.364 nan 8.230 nan 0.000 0.442 579 K N 2.616 123.086 120.400 0.116 0.000 2.532 579 K HA 1.009 5.329 4.320 -0.000 0.000 0.265 579 K C -1.434 175.220 176.600 0.090 0.000 0.948 579 K CA -0.733 55.573 56.287 0.031 0.000 0.842 579 K CB 1.941 34.462 32.500 0.034 0.000 1.392 579 K HN 0.504 nan 8.250 nan 0.000 0.436 580 A N 0.079 122.911 122.820 0.021 0.000 2.599 580 A HA 0.756 5.076 4.320 -0.000 0.000 0.290 580 A C -0.554 177.054 177.584 0.039 0.000 1.101 580 A CA -0.193 51.887 52.037 0.071 0.000 0.674 580 A CB 0.866 19.927 19.000 0.102 0.000 1.277 580 A HN 1.152 nan 8.150 nan 0.000 0.419 581 S N -0.095 115.644 115.700 0.066 0.000 2.448 581 S HA 0.817 5.287 4.470 -0.000 0.000 0.271 581 S C 0.165 174.860 174.600 0.158 0.000 1.145 581 S CA 0.406 58.649 58.200 0.070 0.000 1.022 581 S CB 0.798 64.028 63.200 0.050 0.000 1.202 581 S HN 2.289 nan 8.310 nan 0.000 0.479 582 S N 0.125 115.889 115.700 0.106 0.000 2.417 582 S HA 0.293 4.763 4.470 -0.000 0.000 0.189 582 S C -0.760 173.864 174.600 0.040 0.000 1.005 582 S CA -0.555 57.655 58.200 0.017 0.000 1.116 582 S CB -0.417 62.711 63.200 -0.120 0.000 1.343 582 S HN 0.840 nan 8.310 nan 0.000 0.406 583 D N 0.000 120.442 120.400 0.071 0.000 6.856 583 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 583 D CA 0.000 54.046 54.000 0.076 0.000 0.868 583 D CB 0.000 40.871 40.800 0.119 0.000 0.688 583 D HN 0.000 nan 8.370 nan 0.000 0.683