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 3haz_1_B DATA FIRST_RESID 2 DATA SEQUENCE PNIPPPFTAP YAPDDAEIAA RLLPASHLSP PQEARIHRTA TRLIEAIRKX DATA SEQUENCE XXXLGGVEDM LREFALSTKE GLALMVLAEA LLRVPDARTA DQFIEDKLGE DATA SEQUENCE GDFIHHETKS TAFLVNASAW AXXXXXRVIQ PGETPDGTIG RLVKRLGAPA DATA SEQUENCE VRTATRQAMR LMGNHFVLGE TIEQALERGK PRSGQKTRYS FDMLGEGART DATA SEQUENCE AADARRYFDA YASAIETIGK AAGNHALPDR PGISVKLSAL HPRFEAISRA DATA SEQUENCE RVMVELVPQL LDLAQRAKAH DLNFTVDAEE ADRLELSLDV IAATLADPSL DATA SEQUENCE KGWDGFGLAI QAYQKRASAV IDYVDALARA HDRKLMVRLV KGAYWDTEIK DATA SEQUENCE RAQERGLDGY PVFTRKAMTD LNYVACASKL LALRPRIFPQ FATHNALTVA DATA SEQUENCE TVLEMAEGSS GFEFQRLHGM GEALYEQLAK DHADIAYRTY APVGSHRDLL DATA SEQUENCE AYLVRRLLEN GANSSFVAQA ADYRVPVPAL LQRPADAIVR PQAAAHPRIP DATA SEQUENCE LPCDLFAPER RNSRGVEFGA RTALDQLLTD VKAETXXXXX IADATPDQAH DATA SEQUENCE AAVAAARAGF AGWSRTPAGI RAAALEQAAH LLESRSAHFI ALLQREGGKT DATA SEQUENCE LDDALSELRE AADFCRYYAA QGRKLFGSET AMPGPTGESN ALTMRGRGVF DATA SEQUENCE VAISPWNFPL AIFLGQVTAA LMAGNSVVAK PAEQTPRIAR EAVALLHEAG DATA SEQUENCE IPKSALYLVT GDGRIGAALT AHPDIAGVVF TGSTEVARSI NRALAAKDGP DATA SEQUENCE IVPLIAETGG INAMIADATA LPEQVADDVV TSAFRSAGQR CSALRLLFVQ DATA SEQUENCE EDVADRMIEM VAGAARELKI GDPSDVATHV GPVIDVEAKQ RLDAHIARMK DATA SEQUENCE TEARLHFAGP APEGCFVAPH IFELTEAGQL TEEVFGPILH VVRYRPENLE DATA SEQUENCE RVLRAIERTG YGLTLGVHSR IDDSIEAIID RVQVGNIYVN RNMIGAVVGV DATA SEQUENCE QPFGGNGLSG TGPKAGGPHY LARFATEQTV TINTAAAG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.249 177.300 -0.086 0.000 1.155 2 P CA 0.000 63.062 63.100 -0.063 0.000 0.800 2 P CB 0.000 31.659 31.700 -0.068 0.000 0.726 3 N N 1.621 120.280 118.700 -0.067 0.000 2.458 3 N HA 0.129 4.869 4.740 -0.000 0.000 0.258 3 N C 0.236 175.685 175.510 -0.102 0.000 1.219 3 N CA 0.185 53.193 53.050 -0.070 0.000 0.902 3 N CB 0.546 39.009 38.487 -0.040 0.000 1.076 3 N HN 0.403 nan 8.380 nan 0.000 0.455 4 I N 3.900 124.399 120.570 -0.118 0.000 2.598 4 I HA 0.024 4.194 4.170 -0.000 0.000 0.284 4 I C -1.478 174.602 176.117 -0.062 0.000 1.140 4 I CA -1.291 59.929 61.300 -0.134 0.000 1.420 4 I CB 0.172 38.108 38.000 -0.106 0.000 1.387 4 I HN 0.263 nan 8.210 nan 0.000 0.553 5 P HA 0.172 nan 4.420 nan 0.000 0.268 5 P C -2.503 174.867 177.300 0.117 0.000 1.205 5 P CA -0.967 62.132 63.100 -0.002 0.000 0.771 5 P CB -0.302 31.323 31.700 -0.126 0.000 0.858 6 P HA 0.214 nan 4.420 nan 0.000 0.272 6 P C -2.357 175.102 177.300 0.264 0.000 1.240 6 P CA -1.292 61.900 63.100 0.153 0.000 0.791 6 P CB -1.340 30.415 31.700 0.092 0.000 0.978 7 P HA -0.050 nan 4.420 nan 0.000 0.260 7 P C -0.337 177.040 177.300 0.129 0.000 1.172 7 P CA 0.333 63.541 63.100 0.181 0.000 0.760 7 P CB -0.204 31.554 31.700 0.095 0.000 0.773 8 F N 3.716 123.584 119.950 -0.136 0.000 2.602 8 F HA 0.139 4.666 4.527 -0.000 0.000 0.385 8 F C 1.072 176.801 175.800 -0.118 0.000 1.063 8 F CA 1.137 58.979 58.000 -0.264 0.000 1.233 8 F CB 0.432 39.002 39.000 -0.715 0.000 1.067 8 F HN 0.191 nan 8.300 nan 0.000 0.564 9 T N 6.121 120.298 114.554 -0.627 0.000 4.003 9 T HA 0.544 4.894 4.350 -0.000 0.000 0.239 9 T C -0.217 174.206 174.700 -0.462 0.000 0.992 9 T CA -0.087 61.783 62.100 -0.383 0.000 1.317 9 T CB -0.934 67.832 68.868 -0.170 0.000 0.940 9 T HN 0.858 nan 8.240 nan 0.000 0.593 10 A N 2.595 124.940 122.820 -0.792 0.000 2.406 10 A HA 0.642 4.962 4.320 -0.000 0.000 0.243 10 A C -2.200 175.302 177.584 -0.136 0.000 1.082 10 A CA -0.897 50.885 52.037 -0.425 0.000 0.786 10 A CB -0.238 18.542 19.000 -0.366 0.000 1.029 10 A HN 0.501 nan 8.150 nan 0.000 0.495 11 P HA 0.069 nan 4.420 nan 0.000 0.268 11 P C -0.053 177.277 177.300 0.051 0.000 1.204 11 P CA 0.253 63.355 63.100 0.004 0.000 0.768 11 P CB 0.229 31.926 31.700 -0.006 0.000 0.842 12 Y N 3.384 123.656 120.300 -0.047 0.000 2.184 12 Y HA 0.125 4.675 4.550 -0.000 0.000 0.290 12 Y C 1.166 177.031 175.900 -0.059 0.000 1.129 12 Y CA 1.694 59.769 58.100 -0.042 0.000 1.144 12 Y CB 0.126 38.559 38.460 -0.045 0.000 0.995 12 Y HN 0.388 nan 8.280 nan 0.000 0.513 13 A N 0.564 123.419 122.820 0.060 0.000 3.317 13 A HA 0.442 4.762 4.320 -0.000 0.000 0.307 13 A C -2.662 174.911 177.584 -0.017 0.000 1.003 13 A CA -1.208 50.814 52.037 -0.025 0.000 0.882 13 A CB -0.492 18.517 19.000 0.014 0.000 1.136 13 A HN 0.088 nan 8.150 nan 0.000 0.488 14 P HA 0.191 nan 4.420 nan 0.000 0.271 14 P C -0.271 177.039 177.300 0.016 0.000 1.244 14 P CA -0.105 62.995 63.100 0.000 0.000 0.793 14 P CB 0.506 32.208 31.700 0.003 0.000 0.984 15 D N -0.165 120.257 120.400 0.038 0.000 2.417 15 D HA -0.017 4.623 4.640 -0.000 0.000 0.250 15 D C 0.329 176.687 176.300 0.097 0.000 1.166 15 D CA 0.360 54.396 54.000 0.060 0.000 0.881 15 D CB 0.134 40.966 40.800 0.053 0.000 1.164 15 D HN 0.182 nan 8.370 nan 0.000 0.467 16 D N 2.992 123.470 120.400 0.130 0.000 2.104 16 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 16 D C 1.943 178.343 176.300 0.166 0.000 0.994 16 D CA 1.678 55.804 54.000 0.209 0.000 0.830 16 D CB -0.220 40.724 40.800 0.240 0.000 0.959 16 D HN 0.510 nan 8.370 nan 0.000 0.452 17 A N 0.944 123.833 122.820 0.114 0.000 1.892 17 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 17 A C 2.014 179.642 177.584 0.074 0.000 1.188 17 A CA 1.807 53.894 52.037 0.082 0.000 0.631 17 A CB -0.691 18.347 19.000 0.063 0.000 0.822 17 A HN 0.250 nan 8.150 nan 0.000 0.447 18 E N -0.518 119.727 120.200 0.074 0.000 2.153 18 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 18 E C 1.873 178.519 176.600 0.077 0.000 0.988 18 E CA 1.112 57.550 56.400 0.064 0.000 0.811 18 E CB -0.280 29.454 29.700 0.056 0.000 0.746 18 E HN 0.732 nan 8.360 nan 0.000 0.466 19 I N 1.066 121.704 120.570 0.113 0.000 2.233 19 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 19 I C 2.548 178.722 176.117 0.095 0.000 1.093 19 I CA 0.790 62.173 61.300 0.138 0.000 1.380 19 I CB -0.272 37.886 38.000 0.263 0.000 1.067 19 I HN 0.056 nan 8.210 nan 0.000 0.413 20 A N 0.789 123.659 122.820 0.084 0.000 2.019 20 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 20 A C 2.490 180.091 177.584 0.028 0.000 1.164 20 A CA 1.694 53.751 52.037 0.034 0.000 0.644 20 A CB -0.667 18.353 19.000 0.032 0.000 0.805 20 A HN 0.442 nan 8.150 nan 0.000 0.449 21 A N -0.284 122.560 122.820 0.039 0.000 1.969 21 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 21 A C 2.264 179.863 177.584 0.025 0.000 1.169 21 A CA 1.450 53.505 52.037 0.029 0.000 0.635 21 A CB -0.304 18.715 19.000 0.031 0.000 0.810 21 A HN 0.586 nan 8.150 nan 0.000 0.445 22 R N -0.809 119.711 120.500 0.033 0.000 2.087 22 R HA 0.234 4.573 4.340 -0.000 0.000 0.216 22 R C 1.999 178.313 176.300 0.023 0.000 1.114 22 R CA 0.784 56.901 56.100 0.030 0.000 1.002 22 R CB -0.408 29.915 30.300 0.039 0.000 0.903 22 R HN 0.411 nan 8.270 nan 0.000 0.445 23 L N 1.022 122.258 121.223 0.022 0.000 2.046 23 L HA -0.183 4.156 4.340 -0.000 0.000 0.208 23 L C 2.417 179.287 176.870 0.000 0.000 1.077 23 L CA 1.299 56.142 54.840 0.005 0.000 0.747 23 L CB -0.536 41.512 42.059 -0.019 0.000 0.896 23 L HN 0.203 nan 8.230 nan 0.000 0.432 24 L N -0.321 120.903 121.223 0.001 0.000 1.970 24 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 24 L C 0.048 176.928 176.870 0.017 0.000 1.071 24 L CA 1.691 56.533 54.840 0.004 0.000 0.751 24 L CB -1.792 40.269 42.059 0.002 0.000 0.889 24 L HN 0.220 nan 8.230 nan 0.000 0.432 25 P HA -0.163 nan 4.420 nan 0.000 0.215 25 P C 1.402 178.726 177.300 0.040 0.000 1.157 25 P CA 1.734 64.845 63.100 0.018 0.000 0.868 25 P CB -0.063 31.640 31.700 0.005 0.000 0.788 26 A N 0.212 123.049 122.820 0.029 0.000 2.076 26 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 26 A C 2.259 179.864 177.584 0.036 0.000 1.160 26 A CA 2.061 54.117 52.037 0.031 0.000 0.653 26 A CB -1.621 17.390 19.000 0.017 0.000 0.801 26 A HN 0.356 nan 8.150 nan 0.000 0.455 27 S N -0.920 114.801 115.700 0.034 0.000 2.555 27 S HA -0.083 4.386 4.470 -0.000 0.000 0.230 27 S C 0.757 175.376 174.600 0.032 0.000 0.978 27 S CA 0.362 58.573 58.200 0.017 0.000 0.934 27 S CB -0.710 62.492 63.200 0.004 0.000 0.766 27 S HN 0.696 nan 8.310 nan 0.000 0.533 28 H N 1.156 120.214 119.070 -0.020 0.000 2.964 28 H HA 0.510 5.066 4.556 -0.000 0.000 0.328 28 H C -0.457 174.859 175.328 -0.020 0.000 1.030 28 H CA 0.230 56.267 56.048 -0.018 0.000 1.445 28 H CB 0.188 29.942 29.762 -0.015 0.000 1.449 28 H HN 0.298 nan 8.280 nan 0.000 0.581 29 L N 3.470 124.304 121.223 -0.649 0.000 2.354 29 L HA 0.339 4.679 4.340 -0.000 0.000 0.264 29 L C 0.070 176.591 176.870 -0.582 0.000 1.008 29 L CA -1.173 53.393 54.840 -0.458 0.000 0.819 29 L CB 2.134 44.057 42.059 -0.227 0.000 1.339 29 L HN 0.763 nan 8.230 nan 0.000 0.420 30 S N 0.429 115.961 115.700 -0.280 0.000 2.593 30 S HA 0.250 4.720 4.470 -0.000 0.000 0.269 30 S C -2.015 172.516 174.600 -0.116 0.000 1.334 30 S CA -0.900 57.210 58.200 -0.150 0.000 1.015 30 S CB 0.961 64.130 63.200 -0.052 0.000 0.912 30 S HN 0.419 nan 8.310 nan 0.000 0.541 31 P HA -0.041 nan 4.420 nan 0.000 0.216 31 P C -1.526 175.749 177.300 -0.042 0.000 1.153 31 P CA 1.410 64.482 63.100 -0.046 0.000 0.858 31 P CB -1.193 30.494 31.700 -0.021 0.000 0.789 32 P HA -0.121 nan 4.420 nan 0.000 0.217 32 P C 1.700 178.985 177.300 -0.026 0.000 1.151 32 P CA 1.432 64.519 63.100 -0.023 0.000 0.828 32 P CB -0.440 31.251 31.700 -0.015 0.000 0.788 33 Q N -0.449 119.325 119.800 -0.042 0.000 2.084 33 Q HA -0.178 4.161 4.340 -0.000 0.000 0.202 33 Q C 2.059 178.032 176.000 -0.044 0.000 0.978 33 Q CA 1.100 56.874 55.803 -0.048 0.000 0.844 33 Q CB -0.381 28.313 28.738 -0.074 0.000 0.898 33 Q HN 0.293 nan 8.270 nan 0.000 0.426 34 E N 0.232 120.399 120.200 -0.055 0.000 2.150 34 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 34 E C 1.845 178.450 176.600 0.007 0.000 0.985 34 E CA 0.955 57.334 56.400 -0.035 0.000 0.814 34 E CB -0.103 29.564 29.700 -0.056 0.000 0.752 34 E HN 0.339 nan 8.360 nan 0.000 0.466 35 A N 1.509 124.325 122.820 -0.005 0.000 1.898 35 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 35 A C 2.199 179.814 177.584 0.051 0.000 1.181 35 A CA 1.122 53.167 52.037 0.013 0.000 0.620 35 A CB -0.355 18.638 19.000 -0.012 0.000 0.819 35 A HN 0.086 nan 8.150 nan 0.000 0.442 36 R N -0.578 119.939 120.500 0.028 0.000 2.073 36 R HA -0.070 4.269 4.340 -0.000 0.000 0.234 36 R C 2.043 178.364 176.300 0.036 0.000 1.134 36 R CA 1.663 57.784 56.100 0.034 0.000 0.952 36 R CB -0.529 29.783 30.300 0.020 0.000 0.850 36 R HN 0.560 nan 8.270 nan 0.000 0.433 37 I N -0.559 120.023 120.570 0.020 0.000 2.179 37 I HA -0.320 3.849 4.170 -0.000 0.000 0.242 37 I C 2.478 178.605 176.117 0.016 0.000 1.088 37 I CA 1.605 62.905 61.300 -0.001 0.000 1.357 37 I CB -0.357 37.631 38.000 -0.020 0.000 1.051 37 I HN 0.265 nan 8.210 nan 0.000 0.409 38 H N 0.947 119.996 119.070 -0.034 0.000 2.319 38 H HA -0.219 4.337 4.556 -0.000 0.000 0.299 38 H C 2.452 177.767 175.328 -0.021 0.000 1.092 38 H CA 2.088 58.120 56.048 -0.028 0.000 1.302 38 H CB -0.005 29.742 29.762 -0.026 0.000 1.373 38 H HN 0.098 nan 8.280 nan 0.000 0.497 39 R N -0.464 120.099 120.500 0.105 0.000 2.062 39 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 39 R C 2.058 178.347 176.300 -0.018 0.000 1.136 39 R CA 1.975 58.106 56.100 0.050 0.000 0.948 39 R CB -0.486 29.858 30.300 0.074 0.000 0.845 39 R HN 0.334 nan 8.270 nan 0.000 0.430 40 T N 0.823 115.378 114.554 0.002 0.000 2.665 40 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 40 T C 1.808 176.470 174.700 -0.063 0.000 1.035 40 T CA 1.667 63.770 62.100 0.006 0.000 1.151 40 T CB -0.375 68.513 68.868 0.032 0.000 0.862 40 T HN 0.516 nan 8.240 nan 0.000 0.438 41 A N 1.029 123.785 122.820 -0.107 0.000 1.902 41 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 41 A C 2.577 180.075 177.584 -0.143 0.000 1.181 41 A CA 2.113 54.066 52.037 -0.140 0.000 0.623 41 A CB -1.244 17.662 19.000 -0.156 0.000 0.818 41 A HN 0.479 nan 8.150 nan 0.000 0.443 42 T N -0.155 114.277 114.554 -0.204 0.000 2.684 42 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 42 T C 2.048 176.687 174.700 -0.102 0.000 1.036 42 T CA 1.709 63.701 62.100 -0.180 0.000 1.148 42 T CB -0.259 68.480 68.868 -0.216 0.000 0.863 42 T HN 0.533 nan 8.240 nan 0.000 0.436 43 R N 0.470 120.922 120.500 -0.081 0.000 2.096 43 R HA 0.056 4.396 4.340 -0.000 0.000 0.235 43 R C 2.484 178.745 176.300 -0.064 0.000 1.127 43 R CA 0.977 57.041 56.100 -0.061 0.000 0.968 43 R CB -0.532 29.739 30.300 -0.048 0.000 0.861 43 R HN 0.364 nan 8.270 nan 0.000 0.440 44 L N 0.373 121.550 121.223 -0.078 0.000 2.017 44 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 44 L C 2.371 179.208 176.870 -0.055 0.000 1.073 44 L CA 1.343 56.128 54.840 -0.092 0.000 0.745 44 L CB -0.405 41.566 42.059 -0.146 0.000 0.894 44 L HN 0.183 nan 8.230 nan 0.000 0.432 45 I N -0.448 120.102 120.570 -0.033 0.000 2.315 45 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 45 I C 2.415 178.508 176.117 -0.039 0.000 1.117 45 I CA 1.111 62.406 61.300 -0.008 0.000 1.404 45 I CB -0.291 37.706 38.000 -0.005 0.000 1.071 45 I HN 0.298 nan 8.210 nan 0.000 0.419 46 E N 1.089 121.256 120.200 -0.055 0.000 2.077 46 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 46 E C 2.373 178.948 176.600 -0.041 0.000 0.989 46 E CA 1.409 57.773 56.400 -0.060 0.000 0.800 46 E CB -0.162 29.503 29.700 -0.060 0.000 0.746 46 E HN 0.522 nan 8.360 nan 0.000 0.452 47 A N 1.095 123.894 122.820 -0.035 0.000 1.930 47 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 47 A C 2.140 179.720 177.584 -0.007 0.000 1.175 47 A CA 0.892 52.916 52.037 -0.022 0.000 0.627 47 A CB -0.531 18.452 19.000 -0.028 0.000 0.815 47 A HN 0.147 nan 8.150 nan 0.000 0.443 48 I N -0.815 119.750 120.570 -0.008 0.000 2.335 48 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 48 I C 2.123 178.264 176.117 0.040 0.000 1.129 48 I CA 1.164 62.469 61.300 0.009 0.000 1.402 48 I CB -0.207 37.800 38.000 0.013 0.000 1.069 48 I HN 0.262 nan 8.210 nan 0.000 0.424 49 R N 0.535 121.058 120.500 0.039 0.000 2.356 49 R HA 0.127 4.467 4.340 -0.000 0.000 0.234 49 R C 0.666 177.018 176.300 0.087 0.000 0.929 49 R CA -0.121 56.041 56.100 0.104 0.000 1.084 49 R CB 0.089 30.363 30.300 -0.043 0.000 1.105 49 R HN 0.314 nan 8.270 nan 0.000 0.515 56 G N -2.753 106.083 108.800 0.059 0.000 2.358 56 G HA2 0.751 4.711 3.960 -0.000 0.000 0.303 56 G HA3 0.751 4.711 3.960 -0.000 0.000 0.303 56 G C -0.441 174.516 174.900 0.094 0.000 1.537 56 G CA 0.669 45.803 45.100 0.057 0.000 0.928 56 G HN 2.499 nan 8.290 nan 0.000 0.656 57 G N -1.577 107.259 108.800 0.060 0.000 2.766 57 G HA2 0.666 4.626 3.960 -0.000 0.000 0.288 57 G HA3 0.666 4.626 3.960 -0.000 0.000 0.288 57 G C 0.781 175.722 174.900 0.067 0.000 1.408 57 G CA 0.419 45.551 45.100 0.054 0.000 0.852 57 G HN 1.241 nan 8.290 nan 0.000 0.487 58 V N 0.679 120.634 119.914 0.069 0.000 2.343 58 V HA -0.090 4.030 4.120 -0.000 0.000 0.247 58 V C 3.372 179.492 176.094 0.044 0.000 1.051 58 V CA 3.283 65.632 62.300 0.081 0.000 1.036 58 V CB -0.965 30.914 31.823 0.094 0.000 0.654 58 V HN 0.977 nan 8.190 nan 0.000 0.451 59 E N -0.152 120.052 120.200 0.008 0.000 2.118 59 E HA -0.333 4.017 4.350 -0.000 0.000 0.195 59 E C 1.832 178.420 176.600 -0.019 0.000 0.992 59 E CA 1.750 58.142 56.400 -0.013 0.000 0.804 59 E CB -0.669 29.006 29.700 -0.040 0.000 0.741 59 E HN 0.740 nan 8.360 nan 0.000 0.458 60 D N -0.522 119.867 120.400 -0.019 0.000 2.117 60 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 60 D C 2.097 178.399 176.300 0.004 0.000 0.982 60 D CA 1.551 55.531 54.000 -0.034 0.000 0.828 60 D CB -0.242 40.539 40.800 -0.031 0.000 0.967 60 D HN 0.506 nan 8.370 nan 0.000 0.464 61 M N 0.432 120.073 119.600 0.068 0.000 2.099 61 M HA -0.126 4.354 4.480 -0.000 0.000 0.262 61 M C 2.109 178.515 176.300 0.177 0.000 1.067 61 M CA 1.128 56.528 55.300 0.166 0.000 1.124 61 M CB 0.017 32.713 32.600 0.160 0.000 1.353 61 M HN -0.055 nan 8.290 nan 0.000 0.410 62 L N -0.489 120.791 121.223 0.095 0.000 2.042 62 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 62 L C 2.759 179.658 176.870 0.048 0.000 1.076 62 L CA 1.576 56.461 54.840 0.075 0.000 0.749 62 L CB -0.839 41.243 42.059 0.038 0.000 0.893 62 L HN 0.414 nan 8.230 nan 0.000 0.432 63 R N 0.448 120.947 120.500 -0.001 0.000 2.062 63 R HA -0.186 4.154 4.340 -0.000 0.000 0.229 63 R C 2.236 178.482 176.300 -0.089 0.000 1.128 63 R CA 1.528 57.598 56.100 -0.050 0.000 0.960 63 R CB -0.115 30.132 30.300 -0.087 0.000 0.855 63 R HN 0.320 nan 8.270 nan 0.000 0.432 64 E N -0.507 119.615 120.200 -0.131 0.000 2.070 64 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 64 E C 0.775 177.088 176.600 -0.478 0.000 1.004 64 E CA 1.586 57.783 56.400 -0.338 0.000 0.805 64 E CB -0.014 29.430 29.700 -0.428 0.000 0.744 64 E HN 0.392 nan 8.360 nan 0.000 0.451 65 F N -0.695 119.240 119.950 -0.024 0.000 2.653 65 F HA 0.432 4.959 4.527 -0.000 0.000 0.304 65 F C 0.617 176.407 175.800 -0.018 0.000 1.092 65 F CA 0.249 58.239 58.000 -0.018 0.000 1.279 65 F CB 0.725 39.719 39.000 -0.011 0.000 1.044 65 F HN 0.023 nan 8.300 nan 0.000 0.564 66 A N 1.087 123.957 122.820 0.082 0.000 2.610 66 A HA -0.235 4.085 4.320 -0.000 0.000 0.299 66 A C -0.063 177.562 177.584 0.069 0.000 1.487 66 A CA 0.253 52.319 52.037 0.048 0.000 0.743 66 A CB -2.433 16.582 19.000 0.025 0.000 1.070 66 A HN 0.381 nan 8.150 nan 0.000 0.439 67 L N 1.086 122.360 121.223 0.084 0.000 2.326 67 L HA 0.477 4.817 4.340 -0.000 0.000 0.278 67 L C 1.353 178.246 176.870 0.038 0.000 1.092 67 L CA 0.106 54.985 54.840 0.065 0.000 0.810 67 L CB 1.537 43.641 42.059 0.074 0.000 1.153 67 L HN 0.771 nan 8.230 nan 0.000 0.439 68 S N -0.150 115.567 115.700 0.028 0.000 2.608 68 S HA 0.058 4.528 4.470 -0.000 0.000 0.261 68 S C 1.320 175.933 174.600 0.022 0.000 1.314 68 S CA -0.058 58.155 58.200 0.021 0.000 0.992 68 S CB 1.106 64.317 63.200 0.017 0.000 0.935 68 S HN 0.799 nan 8.310 nan 0.000 0.564 69 T N -1.201 113.365 114.554 0.020 0.000 2.788 69 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 69 T C 1.618 176.330 174.700 0.020 0.000 1.044 69 T CA 1.381 63.493 62.100 0.021 0.000 1.139 69 T CB -0.542 68.339 68.868 0.021 0.000 0.867 69 T HN 0.703 nan 8.240 nan 0.000 0.454 70 K N 1.159 121.570 120.400 0.019 0.000 2.097 70 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 70 K C 2.310 178.920 176.600 0.015 0.000 1.049 70 K CA 1.564 57.862 56.287 0.018 0.000 0.933 70 K CB -0.125 32.386 32.500 0.018 0.000 0.717 70 K HN 0.554 nan 8.250 nan 0.000 0.442 71 E N -0.671 119.538 120.200 0.014 0.000 2.072 71 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 71 E C 1.999 178.601 176.600 0.003 0.000 0.982 71 E CA 0.924 57.329 56.400 0.008 0.000 0.803 71 E CB -0.163 29.542 29.700 0.009 0.000 0.755 71 E HN 0.507 nan 8.360 nan 0.000 0.453 72 G N 1.649 110.456 108.800 0.012 0.000 2.440 72 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 72 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 72 G C 1.592 176.493 174.900 0.002 0.000 1.154 72 G CA 0.656 45.763 45.100 0.012 0.000 0.767 72 G HN 0.177 nan 8.290 nan 0.000 0.552 73 L N 0.665 121.892 121.223 0.006 0.000 2.017 73 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 73 L C 3.215 180.078 176.870 -0.012 0.000 1.073 73 L CA 1.876 56.716 54.840 0.000 0.000 0.745 73 L CB -0.320 41.746 42.059 0.012 0.000 0.894 73 L HN 0.259 nan 8.230 nan 0.000 0.432 74 A N -0.120 122.699 122.820 -0.003 0.000 1.908 74 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 74 A C 2.180 179.751 177.584 -0.020 0.000 1.181 74 A CA 2.007 54.043 52.037 -0.001 0.000 0.627 74 A CB -0.919 18.092 19.000 0.019 0.000 0.818 74 A HN 0.525 nan 8.150 nan 0.000 0.445 75 L N -1.417 119.789 121.223 -0.028 0.000 2.093 75 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 75 L C 2.803 179.631 176.870 -0.071 0.000 1.085 75 L CA 1.284 56.095 54.840 -0.049 0.000 0.755 75 L CB -0.531 41.489 42.059 -0.066 0.000 0.904 75 L HN 0.419 nan 8.230 nan 0.000 0.435 76 M N -0.930 118.629 119.600 -0.068 0.000 2.175 76 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 76 M C 2.281 178.499 176.300 -0.136 0.000 1.063 76 M CA 1.204 56.444 55.300 -0.099 0.000 1.119 76 M CB -0.287 32.256 32.600 -0.094 0.000 1.377 76 M HN 0.060 nan 8.290 nan 0.000 0.415 77 V N 0.464 120.310 119.914 -0.113 0.000 2.307 77 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 77 V C 2.308 178.280 176.094 -0.204 0.000 1.045 77 V CA 1.466 63.687 62.300 -0.132 0.000 1.024 77 V CB -0.644 31.130 31.823 -0.082 0.000 0.651 77 V HN 0.393 nan 8.190 nan 0.000 0.449 78 L N 0.975 122.093 121.223 -0.174 0.000 2.046 78 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 78 L C 2.455 179.154 176.870 -0.284 0.000 1.077 78 L CA 2.338 57.036 54.840 -0.237 0.000 0.747 78 L CB -0.989 41.020 42.059 -0.083 0.000 0.896 78 L HN 0.225 nan 8.230 nan 0.000 0.432 79 A N -0.631 122.074 122.820 -0.191 0.000 1.883 79 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 79 A C 2.272 179.722 177.584 -0.223 0.000 1.186 79 A CA 1.925 53.859 52.037 -0.172 0.000 0.624 79 A CB -0.822 18.107 19.000 -0.120 0.000 0.822 79 A HN 0.559 nan 8.150 nan 0.000 0.444 80 E N 0.153 120.211 120.200 -0.236 0.000 2.077 80 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 80 E C 2.041 178.406 176.600 -0.391 0.000 0.989 80 E CA 1.676 57.945 56.400 -0.218 0.000 0.800 80 E CB -0.537 29.076 29.700 -0.146 0.000 0.746 80 E HN 0.469 nan 8.360 nan 0.000 0.452 81 A N 0.645 123.056 122.820 -0.680 0.000 1.883 81 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 81 A C 2.359 179.340 177.584 -1.004 0.000 1.186 81 A CA 1.741 52.949 52.037 -1.383 0.000 0.624 81 A CB -0.929 16.931 19.000 -1.899 0.000 0.822 81 A HN 0.359 nan 8.150 nan 0.000 0.444 82 L N -0.750 120.085 121.223 -0.646 0.000 2.083 82 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 82 L C 2.461 179.201 176.870 -0.217 0.000 1.083 82 L CA 0.909 55.547 54.840 -0.336 0.000 0.752 82 L CB -0.507 41.441 42.059 -0.185 0.000 0.899 82 L HN 0.372 nan 8.230 nan 0.000 0.433 83 L N -0.531 120.568 121.223 -0.206 0.000 2.201 83 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 83 L C 2.182 179.001 176.870 -0.085 0.000 1.105 83 L CA 0.723 55.497 54.840 -0.110 0.000 0.775 83 L CB -0.311 41.703 42.059 -0.075 0.000 0.913 83 L HN 0.266 nan 8.230 nan 0.000 0.440 84 R N -0.346 120.066 120.500 -0.147 0.000 2.359 84 R HA 0.196 4.535 4.340 -0.000 0.000 0.231 84 R C 0.032 176.300 176.300 -0.054 0.000 0.913 84 R CA -0.022 56.048 56.100 -0.049 0.000 1.075 84 R CB -0.148 30.190 30.300 0.063 0.000 1.087 84 R HN 0.084 nan 8.270 nan 0.000 0.515 85 V N 3.300 123.161 119.914 -0.088 0.000 2.555 85 V HA 0.044 4.163 4.120 -0.000 0.000 0.286 85 V C -1.125 174.970 176.094 0.001 0.000 1.044 85 V CA -0.896 61.392 62.300 -0.020 0.000 1.026 85 V CB 1.337 33.154 31.823 -0.011 0.000 0.981 85 V HN 0.051 nan 8.190 nan 0.000 0.480 86 P HA -0.074 nan 4.420 nan 0.000 0.215 86 P C 0.186 177.494 177.300 0.013 0.000 1.153 86 P CA 0.959 64.071 63.100 0.020 0.000 0.853 86 P CB 0.194 31.908 31.700 0.024 0.000 0.788 87 D N -1.623 118.784 120.400 0.010 0.000 2.412 87 D HA 0.395 5.035 4.640 -0.000 0.000 0.224 87 D C 1.026 177.332 176.300 0.009 0.000 1.093 87 D CA -0.337 53.669 54.000 0.010 0.000 0.850 87 D CB 0.821 41.626 40.800 0.010 0.000 1.046 87 D HN -0.117 nan 8.370 nan 0.000 0.507 88 A N 3.887 126.712 122.820 0.008 0.000 1.986 88 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 88 A C 2.308 179.901 177.584 0.016 0.000 1.171 88 A CA 2.320 54.362 52.037 0.009 0.000 0.640 88 A CB -0.525 18.480 19.000 0.007 0.000 0.811 88 A HN 0.585 nan 8.150 nan 0.000 0.451 89 R N -0.940 119.570 120.500 0.016 0.000 2.096 89 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 89 R C 2.229 178.546 176.300 0.028 0.000 1.127 89 R CA 2.303 58.415 56.100 0.020 0.000 0.968 89 R CB -2.154 28.155 30.300 0.015 0.000 0.861 89 R HN 0.599 nan 8.270 nan 0.000 0.440 90 T N 0.512 115.081 114.554 0.025 0.000 2.708 90 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 90 T C 2.426 177.163 174.700 0.062 0.000 1.037 90 T CA 1.580 63.699 62.100 0.032 0.000 1.146 90 T CB -0.520 68.356 68.868 0.013 0.000 0.865 90 T HN 0.676 nan 8.240 nan 0.000 0.435 91 A N 2.030 124.881 122.820 0.052 0.000 1.877 91 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 91 A C 2.084 179.747 177.584 0.133 0.000 1.186 91 A CA 1.970 54.057 52.037 0.083 0.000 0.620 91 A CB -0.835 18.184 19.000 0.032 0.000 0.822 91 A HN 0.383 nan 8.150 nan 0.000 0.443 92 D N -0.870 119.576 120.400 0.078 0.000 2.149 92 D HA -0.021 4.619 4.640 -0.000 0.000 0.198 92 D C 2.596 178.934 176.300 0.062 0.000 0.990 92 D CA 2.030 56.067 54.000 0.061 0.000 0.839 92 D CB -0.417 40.404 40.800 0.035 0.000 0.948 92 D HN 0.595 nan 8.370 nan 0.000 0.460 93 Q N 0.116 119.958 119.800 0.069 0.000 2.084 93 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 93 Q C 2.083 178.122 176.000 0.065 0.000 0.978 93 Q CA 1.491 57.326 55.803 0.053 0.000 0.844 93 Q CB -1.423 27.344 28.738 0.049 0.000 0.898 93 Q HN 0.491 nan 8.270 nan 0.000 0.426 94 F N 0.566 120.496 119.950 -0.033 0.000 2.075 94 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 94 F C 2.137 177.906 175.800 -0.051 0.000 1.113 94 F CA 1.756 59.724 58.000 -0.053 0.000 1.218 94 F CB -0.173 38.796 39.000 -0.053 0.000 0.984 94 F HN 0.250 nan 8.300 nan 0.000 0.472 95 I N 0.300 120.909 120.570 0.065 0.000 2.151 95 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 95 I C 2.323 178.367 176.117 -0.121 0.000 1.080 95 I CA 1.506 62.783 61.300 -0.039 0.000 1.339 95 I CB -0.486 37.551 38.000 0.061 0.000 1.039 95 I HN 0.195 nan 8.210 nan 0.000 0.409 96 E N 0.351 120.507 120.200 -0.072 0.000 2.076 96 E HA -0.148 4.201 4.350 -0.000 0.000 0.190 96 E C 1.675 178.219 176.600 -0.094 0.000 0.979 96 E CA 1.119 57.481 56.400 -0.063 0.000 0.807 96 E CB -0.210 29.473 29.700 -0.028 0.000 0.761 96 E HN 0.480 nan 8.360 nan 0.000 0.454 97 D N -0.194 120.134 120.400 -0.120 0.000 2.262 97 D HA -0.003 4.637 4.640 -0.000 0.000 0.212 97 D C 1.689 177.884 176.300 -0.175 0.000 0.964 97 D CA 0.769 54.700 54.000 -0.115 0.000 0.875 97 D CB 0.336 41.091 40.800 -0.075 0.000 0.996 97 D HN -0.003 nan 8.370 nan 0.000 0.497 98 K N -0.101 120.097 120.400 -0.336 0.000 2.312 98 K HA 0.134 4.454 4.320 -0.000 0.000 0.206 98 K C 0.712 177.076 176.600 -0.394 0.000 1.121 98 K CA -0.406 55.647 56.287 -0.391 0.000 0.923 98 K CB -0.403 31.752 32.500 -0.575 0.000 1.162 98 K HN 0.034 nan 8.250 nan 0.000 0.478 99 L N 1.979 122.753 121.223 -0.749 0.000 2.584 99 L HA 0.120 4.459 4.340 -0.000 0.000 0.272 99 L C 0.910 177.724 176.870 -0.093 0.000 1.195 99 L CA 1.745 56.344 54.840 -0.402 0.000 0.920 99 L CB -0.182 41.642 42.059 -0.392 0.000 1.173 99 L HN 0.734 nan 8.230 nan 0.000 0.489 100 G N 2.822 111.681 108.800 0.099 0.000 2.225 100 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 100 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 100 G C 0.960 175.971 174.900 0.184 0.000 0.988 100 G CA 0.362 45.593 45.100 0.218 0.000 0.625 100 G HN 0.601 nan 8.290 nan 0.000 0.527 101 E N 0.556 120.739 120.200 -0.029 0.000 2.122 101 E HA 0.383 4.733 4.350 -0.000 0.000 0.190 101 E C 1.550 177.976 176.600 -0.290 0.000 0.977 101 E CA 1.545 57.891 56.400 -0.089 0.000 0.820 101 E CB 0.298 29.932 29.700 -0.109 0.000 0.770 101 E HN 1.258 nan 8.360 nan 0.000 0.462 102 G N -0.285 108.104 108.800 -0.684 0.000 2.356 102 G HA2 0.122 4.081 3.960 -0.000 0.000 0.281 102 G HA3 0.122 4.081 3.960 -0.000 0.000 0.281 102 G C -1.409 172.822 174.900 -1.114 0.000 1.246 102 G CA -0.217 44.197 45.100 -1.143 0.000 0.889 102 G HN -0.093 nan 8.290 nan 0.000 0.486 103 D N -0.673 119.265 120.400 -0.770 0.000 2.737 103 D HA -0.154 4.486 4.640 -0.000 0.000 0.233 103 D C 1.213 177.129 176.300 -0.640 0.000 1.155 103 D CA 1.056 54.679 54.000 -0.628 0.000 0.667 103 D CB -0.834 39.549 40.800 -0.695 0.000 1.060 103 D HN 0.301 nan 8.370 nan 0.000 0.427 104 F N -0.099 119.756 119.950 -0.159 0.000 2.069 104 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 104 F C 2.572 178.385 175.800 0.021 0.000 1.113 104 F CA 0.887 58.867 58.000 -0.034 0.000 1.214 104 F CB -0.524 38.480 39.000 0.007 0.000 0.978 104 F HN 0.185 nan 8.300 nan 0.000 0.474 105 I N -1.069 119.631 120.570 0.216 0.000 2.286 105 I HA -0.282 3.887 4.170 -0.000 0.000 0.245 105 I C 2.479 178.686 176.117 0.150 0.000 1.104 105 I CA 1.430 62.830 61.300 0.167 0.000 1.397 105 I CB -0.550 37.535 38.000 0.140 0.000 1.072 105 I HN 0.165 nan 8.210 nan 0.000 0.417 106 H N 0.719 119.794 119.070 0.009 0.000 2.319 106 H HA -0.250 4.306 4.556 -0.000 0.000 0.297 106 H C 2.247 177.668 175.328 0.156 0.000 1.097 106 H CA 2.361 58.419 56.048 0.016 0.000 1.285 106 H CB -0.260 29.446 29.762 -0.094 0.000 1.368 106 H HN 0.416 nan 8.280 nan 0.000 0.495 107 H N -0.941 118.253 119.070 0.206 0.000 2.353 107 H HA -0.100 4.455 4.556 -0.000 0.000 0.300 107 H C 2.354 177.808 175.328 0.210 0.000 1.090 107 H CA 0.973 57.184 56.048 0.271 0.000 1.327 107 H CB 0.123 30.110 29.762 0.375 0.000 1.383 107 H HN 0.553 nan 8.280 nan 0.000 0.508 108 E N 0.432 120.799 120.200 0.277 0.000 2.072 108 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 108 E C 1.799 178.467 176.600 0.113 0.000 0.985 108 E CA 1.518 58.021 56.400 0.170 0.000 0.801 108 E CB 0.182 29.970 29.700 0.146 0.000 0.750 108 E HN 0.325 nan 8.360 nan 0.000 0.452 109 T N 1.056 115.667 114.554 0.096 0.000 2.737 109 T HA -0.084 4.265 4.350 -0.000 0.000 0.265 109 T C 1.751 176.482 174.700 0.053 0.000 1.038 109 T CA 0.937 63.072 62.100 0.058 0.000 1.144 109 T CB -0.030 68.862 68.868 0.041 0.000 0.866 109 T HN 0.024 nan 8.240 nan 0.000 0.434 110 K N 1.657 122.084 120.400 0.045 0.000 2.057 110 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 110 K C 2.812 179.568 176.600 0.259 0.000 1.049 110 K CA 1.541 57.915 56.287 0.144 0.000 0.931 110 K CB -0.783 31.770 32.500 0.088 0.000 0.714 110 K HN 0.524 nan 8.250 nan 0.000 0.440 111 S N 0.062 115.858 115.700 0.159 0.000 2.402 111 S HA -0.096 4.374 4.470 -0.000 0.000 0.229 111 S C 2.047 176.603 174.600 -0.073 0.000 1.021 111 S CA 1.641 59.719 58.200 -0.203 0.000 0.974 111 S CB -0.609 62.403 63.200 -0.314 0.000 0.800 111 S HN 0.205 nan 8.310 nan 0.000 0.484 112 T N 2.492 117.050 114.554 0.006 0.000 2.851 112 T HA 0.245 4.595 4.350 -0.000 0.000 0.262 112 T C 2.251 176.969 174.700 0.030 0.000 1.043 112 T CA 1.037 63.145 62.100 0.014 0.000 1.140 112 T CB -0.725 68.159 68.868 0.027 0.000 0.872 112 T HN 0.595 nan 8.240 nan 0.000 0.446 113 A N 1.487 124.340 122.820 0.055 0.000 1.940 113 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 113 A C 1.964 179.577 177.584 0.048 0.000 1.176 113 A CA 1.326 53.392 52.037 0.049 0.000 0.631 113 A CB -1.103 17.934 19.000 0.061 0.000 0.814 113 A HN 0.492 nan 8.150 nan 0.000 0.446 114 F N 0.784 120.690 119.950 -0.073 0.000 2.192 114 F HA -0.207 4.320 4.527 -0.000 0.000 0.301 114 F C 1.715 177.412 175.800 -0.172 0.000 1.079 114 F CA 1.722 59.643 58.000 -0.132 0.000 1.303 114 F CB -0.264 38.551 39.000 -0.308 0.000 1.024 114 F HN 0.169 nan 8.300 nan 0.000 0.494 115 L N -0.203 120.878 121.223 -0.238 0.000 2.191 115 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 115 L C 2.216 178.961 176.870 -0.209 0.000 1.103 115 L CA 1.259 55.933 54.840 -0.277 0.000 0.769 115 L CB -0.632 41.373 42.059 -0.091 0.000 0.908 115 L HN 0.318 nan 8.230 nan 0.000 0.438 116 V N -5.433 114.390 119.914 -0.153 0.000 3.635 116 V HA 0.251 4.371 4.120 -0.000 0.000 0.266 116 V C 0.506 176.530 176.094 -0.117 0.000 1.316 116 V CA -0.012 62.223 62.300 -0.109 0.000 1.060 116 V CB 0.195 31.985 31.823 -0.056 0.000 0.820 116 V HN 0.375 nan 8.190 nan 0.000 0.447 117 N N 0.804 119.426 118.700 -0.130 0.000 2.727 117 N HA 0.567 5.307 4.740 -0.000 0.000 0.252 117 N C 0.755 176.216 175.510 -0.082 0.000 1.283 117 N CA 0.422 53.423 53.050 -0.081 0.000 0.782 117 N CB 1.430 39.904 38.487 -0.022 0.000 1.199 117 N HN 0.248 nan 8.380 nan 0.000 0.520 118 A N 1.403 124.120 122.820 -0.171 0.000 1.917 118 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 118 A C 1.951 179.632 177.584 0.162 0.000 1.182 118 A CA 2.217 54.179 52.037 -0.124 0.000 0.633 118 A CB -0.585 18.336 19.000 -0.131 0.000 0.819 118 A HN 0.606 nan 8.150 nan 0.000 0.448 119 S N 0.417 116.170 115.700 0.088 0.000 2.400 119 S HA -0.084 4.386 4.470 -0.000 0.000 0.232 119 S C 2.182 176.859 174.600 0.127 0.000 1.025 119 S CA 1.183 59.444 58.200 0.101 0.000 0.993 119 S CB -0.615 62.617 63.200 0.054 0.000 0.808 119 S HN 0.879 nan 8.310 nan 0.000 0.478 120 A N 1.427 124.328 122.820 0.136 0.000 1.892 120 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 120 A C 0.951 178.650 177.584 0.191 0.000 1.188 120 A CA 0.958 53.077 52.037 0.138 0.000 0.631 120 A CB -0.551 18.524 19.000 0.126 0.000 0.822 120 A HN 0.729 nan 8.150 nan 0.000 0.447 121 W N -0.203 121.142 121.300 0.074 0.000 2.390 121 W HA 0.582 5.242 4.660 -0.000 0.000 0.312 121 W C -0.520 175.982 176.519 -0.029 0.000 1.123 121 W CA -0.561 56.780 57.345 -0.006 0.000 1.202 121 W CB 0.978 30.398 29.460 -0.067 0.000 1.251 121 W HN 0.440 nan 8.180 nan 0.000 0.511 129 V N 1.964 121.833 119.914 -0.076 0.000 2.439 129 V HA 0.589 4.709 4.120 -0.000 0.000 0.282 129 V C 0.260 176.301 176.094 -0.088 0.000 1.039 129 V CA -0.652 61.608 62.300 -0.068 0.000 0.913 129 V CB 1.101 32.892 31.823 -0.054 0.000 0.983 129 V HN 0.563 nan 8.190 nan 0.000 0.460 130 I N 4.731 125.246 120.570 -0.092 0.000 2.325 130 I HA 0.522 4.692 4.170 -0.000 0.000 0.291 130 I C 0.858 176.918 176.117 -0.094 0.000 1.019 130 I CA -0.301 60.928 61.300 -0.119 0.000 1.302 130 I CB 1.064 38.975 38.000 -0.147 0.000 1.401 130 I HN 0.863 nan 8.210 nan 0.000 0.485 131 Q N 8.995 128.741 119.800 -0.091 0.000 2.340 131 Q HA 0.388 4.728 4.340 -0.000 0.000 0.249 131 Q C -2.371 173.595 176.000 -0.056 0.000 0.957 131 Q CA -1.572 54.193 55.803 -0.063 0.000 0.882 131 Q CB -0.569 28.137 28.738 -0.053 0.000 1.235 131 Q HN 0.498 nan 8.270 nan 0.000 0.439 132 P HA 0.360 nan 4.420 nan 0.000 0.272 132 P C 0.656 177.952 177.300 -0.006 0.000 1.223 132 P CA 1.043 64.130 63.100 -0.021 0.000 0.784 132 P CB 0.763 32.454 31.700 -0.015 0.000 0.923 133 G N 0.576 109.383 108.800 0.013 0.000 2.176 133 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 133 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 133 G C 0.085 175.013 174.900 0.046 0.000 1.024 133 G CA 0.207 45.325 45.100 0.030 0.000 0.755 133 G HN 0.793 nan 8.290 nan 0.000 0.507 134 E N 0.748 120.983 120.200 0.060 0.000 2.360 134 E HA 0.357 4.707 4.350 -0.000 0.000 0.269 134 E C 0.499 177.214 176.600 0.192 0.000 1.022 134 E CA -0.079 56.377 56.400 0.094 0.000 0.887 134 E CB 0.303 30.023 29.700 0.034 0.000 0.990 134 E HN 0.169 nan 8.360 nan 0.000 0.426 135 T N 7.238 121.878 114.554 0.143 0.000 2.793 135 T HA 0.099 4.449 4.350 -0.000 0.000 0.289 135 T C -2.289 172.497 174.700 0.142 0.000 0.956 135 T CA -0.935 61.232 62.100 0.111 0.000 1.177 135 T CB 0.458 69.363 68.868 0.062 0.000 0.897 135 T HN 0.366 nan 8.240 nan 0.000 0.533 136 P HA 0.152 nan 4.420 nan 0.000 0.263 136 P C -0.622 176.487 177.300 -0.318 0.000 1.345 136 P CA -0.223 62.618 63.100 -0.431 0.000 1.119 136 P CB -0.002 31.457 31.700 -0.401 0.000 1.363 137 D N 1.371 121.663 120.400 -0.180 0.000 2.553 137 D HA 0.700 5.339 4.640 -0.000 0.000 0.249 137 D C 0.440 176.721 176.300 -0.031 0.000 1.062 137 D CA -0.837 53.124 54.000 -0.065 0.000 1.085 137 D CB 0.639 41.458 40.800 0.031 0.000 1.350 137 D HN 0.372 nan 8.370 nan 0.000 0.575 138 G N -1.396 107.410 108.800 0.010 0.000 2.795 138 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.664 138 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.664 138 G C 0.676 175.579 174.900 0.004 0.000 1.381 138 G CA 0.036 45.162 45.100 0.043 0.000 0.853 138 G HN 0.606 nan 8.290 nan 0.000 0.545 139 T N 0.369 114.941 114.554 0.031 0.000 2.788 139 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 139 T C 2.498 177.199 174.700 0.001 0.000 1.044 139 T CA 1.917 64.026 62.100 0.015 0.000 1.139 139 T CB -0.159 68.728 68.868 0.031 0.000 0.867 139 T HN 0.470 nan 8.240 nan 0.000 0.454 140 I N 0.911 121.504 120.570 0.039 0.000 2.333 140 I HA 0.034 4.204 4.170 -0.000 0.000 0.246 140 I C 2.948 179.001 176.117 -0.108 0.000 1.106 140 I CA 0.925 62.257 61.300 0.053 0.000 1.411 140 I CB -0.791 37.336 38.000 0.213 0.000 1.082 140 I HN 0.274 nan 8.210 nan 0.000 0.420 141 G N 1.196 109.817 108.800 -0.297 0.000 2.446 141 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 141 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 141 G C 1.830 176.445 174.900 -0.475 0.000 1.168 141 G CA 0.618 45.179 45.100 -0.897 0.000 0.771 141 G HN 0.281 nan 8.290 nan 0.000 0.551 142 R N -0.777 119.579 120.500 -0.241 0.000 2.075 142 R HA 0.031 4.371 4.340 -0.000 0.000 0.232 142 R C 2.490 178.722 176.300 -0.114 0.000 1.126 142 R CA 0.866 56.878 56.100 -0.147 0.000 0.963 142 R CB -0.571 29.680 30.300 -0.082 0.000 0.858 142 R HN 0.307 nan 8.270 nan 0.000 0.435 143 L N 0.749 121.916 121.223 -0.094 0.000 2.012 143 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 143 L C 2.174 179.004 176.870 -0.066 0.000 1.073 143 L CA 1.583 56.388 54.840 -0.059 0.000 0.748 143 L CB -0.499 41.536 42.059 -0.041 0.000 0.891 143 L HN -0.056 nan 8.230 nan 0.000 0.431 144 V N -0.440 119.408 119.914 -0.110 0.000 2.407 144 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 144 V C 2.630 178.675 176.094 -0.083 0.000 1.055 144 V CA 2.021 64.270 62.300 -0.086 0.000 1.049 144 V CB -0.614 31.143 31.823 -0.111 0.000 0.662 144 V HN 0.508 nan 8.190 nan 0.000 0.455 145 K N -0.212 120.111 120.400 -0.128 0.000 2.097 145 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 145 K C 2.403 178.976 176.600 -0.046 0.000 1.050 145 K CA 1.363 57.596 56.287 -0.088 0.000 0.938 145 K CB -0.060 32.374 32.500 -0.109 0.000 0.718 145 K HN 0.294 nan 8.250 nan 0.000 0.442 146 R N 0.093 120.569 120.500 -0.040 0.000 2.075 146 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 146 R C 2.058 178.361 176.300 0.006 0.000 1.114 146 R CA 0.998 57.090 56.100 -0.014 0.000 0.972 146 R CB 0.110 30.404 30.300 -0.009 0.000 0.869 146 R HN 0.195 nan 8.270 nan 0.000 0.437 147 L N -1.044 120.186 121.223 0.013 0.000 2.470 147 L HA 0.327 4.666 4.340 -0.000 0.000 0.219 147 L C 0.574 177.466 176.870 0.038 0.000 1.071 147 L CA 0.238 55.103 54.840 0.043 0.000 0.850 147 L CB 0.641 42.744 42.059 0.073 0.000 1.040 147 L HN 0.421 nan 8.230 nan 0.000 0.475 148 G N -0.539 108.272 108.800 0.018 0.000 2.712 148 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.686 148 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.686 148 G C 0.492 175.408 174.900 0.027 0.000 1.181 148 G CA -0.330 44.784 45.100 0.023 0.000 0.762 148 G HN 0.119 nan 8.290 nan 0.000 0.641 149 A N 1.804 124.646 122.820 0.036 0.000 1.902 149 A HA 0.149 4.469 4.320 -0.000 0.000 0.217 149 A C 0.706 178.304 177.584 0.023 0.000 1.181 149 A CA 2.811 54.874 52.037 0.044 0.000 0.623 149 A CB -1.101 17.937 19.000 0.063 0.000 0.818 149 A HN 0.598 nan 8.150 nan 0.000 0.443 150 P HA -0.123 nan 4.420 nan 0.000 0.215 150 P C 1.718 179.035 177.300 0.028 0.000 1.153 150 P CA 1.953 65.067 63.100 0.023 0.000 0.853 150 P CB -0.116 31.602 31.700 0.030 0.000 0.788 151 A N -0.702 122.147 122.820 0.049 0.000 1.930 151 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 151 A C 2.306 179.843 177.584 -0.078 0.000 1.175 151 A CA 1.546 53.634 52.037 0.085 0.000 0.627 151 A CB -1.674 17.430 19.000 0.173 0.000 0.815 151 A HN 0.024 nan 8.150 nan 0.000 0.443 152 V N 0.234 120.103 119.914 -0.076 0.000 2.343 152 V HA -0.293 3.826 4.120 -0.000 0.000 0.247 152 V C 2.623 178.634 176.094 -0.139 0.000 1.051 152 V CA 2.251 64.471 62.300 -0.134 0.000 1.036 152 V CB -0.852 30.944 31.823 -0.044 0.000 0.654 152 V HN 0.547 nan 8.190 nan 0.000 0.451 153 R N -0.165 120.292 120.500 -0.072 0.000 2.083 153 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 153 R C 2.395 178.652 176.300 -0.072 0.000 1.137 153 R CA 2.005 58.072 56.100 -0.055 0.000 0.951 153 R CB -0.902 29.382 30.300 -0.027 0.000 0.851 153 R HN 0.500 nan 8.270 nan 0.000 0.434 154 T N 1.016 115.530 114.554 -0.067 0.000 2.746 154 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 154 T C 1.993 176.600 174.700 -0.156 0.000 1.039 154 T CA 1.441 63.525 62.100 -0.027 0.000 1.142 154 T CB -0.269 68.671 68.868 0.120 0.000 0.866 154 T HN 0.402 nan 8.240 nan 0.000 0.444 155 A N 1.272 123.761 122.820 -0.552 0.000 1.902 155 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 155 A C 2.558 179.955 177.584 -0.312 0.000 1.181 155 A CA 2.085 53.633 52.037 -0.815 0.000 0.623 155 A CB -1.232 17.033 19.000 -1.225 0.000 0.818 155 A HN 0.473 nan 8.150 nan 0.000 0.443 156 T N -0.388 114.039 114.554 -0.211 0.000 2.777 156 T HA -0.120 4.229 4.350 -0.000 0.000 0.266 156 T C 2.055 176.714 174.700 -0.069 0.000 1.040 156 T CA 1.453 63.489 62.100 -0.108 0.000 1.141 156 T CB -0.232 68.600 68.868 -0.058 0.000 0.868 156 T HN 0.513 nan 8.240 nan 0.000 0.444 157 R N 0.850 121.319 120.500 -0.052 0.000 2.081 157 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 157 R C 2.659 178.953 176.300 -0.011 0.000 1.131 157 R CA 1.352 57.439 56.100 -0.021 0.000 0.960 157 R CB -0.291 30.008 30.300 -0.003 0.000 0.856 157 R HN 0.481 nan 8.270 nan 0.000 0.436 158 Q N 0.389 120.187 119.800 -0.002 0.000 2.124 158 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 158 Q C 2.013 178.021 176.000 0.014 0.000 0.977 158 Q CA 1.539 57.362 55.803 0.033 0.000 0.850 158 Q CB -0.029 28.772 28.738 0.105 0.000 0.901 158 Q HN 0.379 nan 8.270 nan 0.000 0.429 159 A N 0.447 123.256 122.820 -0.017 0.000 1.933 159 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 159 A C 2.005 179.571 177.584 -0.030 0.000 1.175 159 A CA 1.443 53.469 52.037 -0.019 0.000 0.628 159 A CB -0.471 18.499 19.000 -0.050 0.000 0.814 159 A HN 0.454 nan 8.150 nan 0.000 0.444 160 M N -1.250 118.325 119.600 -0.041 0.000 2.159 160 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 160 M C 2.486 178.765 176.300 -0.036 0.000 1.063 160 M CA 1.662 56.934 55.300 -0.046 0.000 1.110 160 M CB -0.247 32.327 32.600 -0.044 0.000 1.374 160 M HN 0.434 nan 8.290 nan 0.000 0.411 161 R N 0.729 121.212 120.500 -0.029 0.000 2.081 161 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 161 R C 1.899 178.143 176.300 -0.093 0.000 1.131 161 R CA 1.223 57.295 56.100 -0.046 0.000 0.960 161 R CB -1.166 29.118 30.300 -0.027 0.000 0.856 161 R HN 0.518 nan 8.270 nan 0.000 0.436 162 L N -0.194 120.999 121.223 -0.049 0.000 2.027 162 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 162 L C 2.837 179.755 176.870 0.081 0.000 1.074 162 L CA 1.441 56.264 54.840 -0.029 0.000 0.745 162 L CB -0.454 41.685 42.059 0.134 0.000 0.898 162 L HN 0.267 nan 8.230 nan 0.000 0.433 163 M N -0.314 119.326 119.600 0.066 0.000 2.159 163 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 163 M C 2.310 178.679 176.300 0.115 0.000 1.063 163 M CA 1.845 57.179 55.300 0.056 0.000 1.110 163 M CB -1.761 30.778 32.600 -0.102 0.000 1.374 163 M HN 0.302 nan 8.290 nan 0.000 0.411 164 G N -0.225 108.591 108.800 0.028 0.000 2.430 164 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 164 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 164 G C 1.473 176.379 174.900 0.009 0.000 1.146 164 G CA 0.458 45.568 45.100 0.017 0.000 0.793 164 G HN 0.391 nan 8.290 nan 0.000 0.537 165 N N 0.001 118.657 118.700 -0.072 0.000 2.368 165 N HA 0.058 4.797 4.740 -0.000 0.000 0.176 165 N C 1.256 176.780 175.510 0.024 0.000 1.021 165 N CA 0.643 53.616 53.050 -0.129 0.000 0.888 165 N CB -0.086 38.172 38.487 -0.382 0.000 0.995 165 N HN 0.535 nan 8.380 nan 0.000 0.437 166 H N -2.178 116.985 119.070 0.155 0.000 2.755 166 H HA 0.298 4.854 4.556 -0.000 0.000 0.273 166 H C -0.557 174.645 175.328 -0.211 0.000 1.055 166 H CA -0.259 55.800 56.048 0.018 0.000 1.191 166 H CB 0.535 30.197 29.762 -0.168 0.000 1.536 166 H HN -0.022 nan 8.280 nan 0.000 0.529 167 F N 0.550 120.567 119.950 0.112 0.000 2.576 167 F HA 0.421 4.948 4.527 -0.000 0.000 0.313 167 F C -0.533 175.226 175.800 -0.068 0.000 1.078 167 F CA -1.326 56.680 58.000 0.009 0.000 0.921 167 F CB 2.080 41.082 39.000 0.003 0.000 1.232 167 F HN -0.304 nan 8.300 nan 0.000 0.459 168 V N 4.683 124.606 119.914 0.014 0.000 2.293 168 V HA 0.443 4.562 4.120 -0.000 0.000 0.275 168 V C -0.830 175.204 176.094 -0.099 0.000 1.021 168 V CA -0.383 61.861 62.300 -0.093 0.000 0.815 168 V CB 0.809 32.488 31.823 -0.239 0.000 1.025 168 V HN 0.414 nan 8.190 nan 0.000 0.448 169 L N 3.658 124.834 121.223 -0.079 0.000 2.354 169 L HA 1.037 5.377 4.340 -0.000 0.000 0.264 169 L C 0.361 177.082 176.870 -0.248 0.000 1.008 169 L CA -0.087 54.657 54.840 -0.159 0.000 0.819 169 L CB 2.131 44.138 42.059 -0.087 0.000 1.339 169 L HN 0.686 nan 8.230 nan 0.000 0.420 170 G N 0.467 109.001 108.800 -0.443 0.000 2.677 170 G HA2 0.393 4.353 3.960 -0.000 0.000 0.291 170 G HA3 0.393 4.353 3.960 -0.000 0.000 0.291 170 G C 0.000 174.541 174.900 -0.599 0.000 1.435 170 G CA -0.393 44.455 45.100 -0.421 0.000 0.826 170 G HN 0.547 nan 8.290 nan 0.000 0.491 171 E N -0.920 119.094 120.200 -0.310 0.000 2.160 171 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 171 E C 1.351 177.861 176.600 -0.150 0.000 0.991 171 E CA 1.773 58.090 56.400 -0.137 0.000 0.810 171 E CB 0.041 29.727 29.700 -0.024 0.000 0.742 171 E HN 0.607 nan 8.360 nan 0.000 0.466 172 T N -2.734 111.736 114.554 -0.141 0.000 2.887 172 T HA 0.270 4.620 4.350 -0.000 0.000 0.292 172 T C 0.771 175.400 174.700 -0.118 0.000 1.087 172 T CA -0.888 61.144 62.100 -0.114 0.000 1.009 172 T CB 1.462 70.284 68.868 -0.077 0.000 1.203 172 T HN -0.142 nan 8.240 nan 0.000 0.518 173 I N 1.045 121.557 120.570 -0.096 0.000 2.286 173 I HA -0.013 4.157 4.170 -0.000 0.000 0.248 173 I C 2.108 178.189 176.117 -0.060 0.000 1.115 173 I CA 1.577 62.828 61.300 -0.082 0.000 1.392 173 I CB -0.857 37.105 38.000 -0.064 0.000 1.065 173 I HN 0.820 nan 8.210 nan 0.000 0.418 174 E N -0.028 120.144 120.200 -0.047 0.000 2.085 174 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 174 E C 2.143 178.722 176.600 -0.036 0.000 0.994 174 E CA 1.635 58.018 56.400 -0.029 0.000 0.801 174 E CB -0.405 29.282 29.700 -0.022 0.000 0.743 174 E HN 0.669 nan 8.360 nan 0.000 0.453 175 Q N 0.024 119.792 119.800 -0.054 0.000 2.079 175 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 175 Q C 2.084 178.041 176.000 -0.073 0.000 0.974 175 Q CA 1.379 57.148 55.803 -0.056 0.000 0.840 175 Q CB -0.150 28.549 28.738 -0.065 0.000 0.898 175 Q HN 0.292 nan 8.270 nan 0.000 0.430 176 A N 1.000 123.757 122.820 -0.105 0.000 1.858 176 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 176 A C 2.075 179.597 177.584 -0.104 0.000 1.190 176 A CA 1.441 53.402 52.037 -0.127 0.000 0.617 176 A CB -0.929 17.974 19.000 -0.161 0.000 0.827 176 A HN 0.466 nan 8.150 nan 0.000 0.443 177 L N -0.917 120.265 121.223 -0.068 0.000 2.042 177 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 177 L C 2.705 179.576 176.870 0.003 0.000 1.076 177 L CA 1.869 56.702 54.840 -0.012 0.000 0.749 177 L CB -0.539 41.544 42.059 0.041 0.000 0.893 177 L HN 0.491 nan 8.230 nan 0.000 0.432 178 E N 0.635 120.830 120.200 -0.009 0.000 2.051 178 E HA -0.212 4.137 4.350 -0.000 0.000 0.192 178 E C 2.273 178.868 176.600 -0.007 0.000 0.991 178 E CA 1.455 57.854 56.400 -0.002 0.000 0.799 178 E CB -0.025 29.671 29.700 -0.007 0.000 0.748 178 E HN 0.219 nan 8.360 nan 0.000 0.449 179 R N -0.887 119.597 120.500 -0.026 0.000 2.120 179 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 179 R C 2.220 178.499 176.300 -0.035 0.000 1.123 179 R CA 1.104 57.186 56.100 -0.030 0.000 0.975 179 R CB -0.360 29.914 30.300 -0.043 0.000 0.866 179 R HN 0.269 nan 8.270 nan 0.000 0.446 180 G N 0.945 109.716 108.800 -0.047 0.000 2.920 180 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.208 180 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.208 180 G C 0.182 175.105 174.900 0.038 0.000 1.159 180 G CA -0.241 44.830 45.100 -0.049 0.000 0.784 180 G HN 0.157 nan 8.290 nan 0.000 0.535 181 K N 1.119 121.544 120.400 0.042 0.000 2.355 181 K HA 0.269 4.589 4.320 -0.000 0.000 0.270 181 K C -1.986 174.646 176.600 0.053 0.000 1.003 181 K CA -1.094 55.228 56.287 0.058 0.000 0.957 181 K CB 0.630 33.153 32.500 0.038 0.000 0.939 181 K HN 0.063 nan 8.250 nan 0.000 0.482 182 P HA 0.161 nan 4.420 nan 0.000 0.282 182 P C 0.657 177.978 177.300 0.035 0.000 1.287 182 P CA -0.432 62.700 63.100 0.054 0.000 0.792 182 P CB 0.500 32.231 31.700 0.051 0.000 1.163 183 R N -0.018 120.501 120.500 0.032 0.000 2.113 183 R HA 0.006 4.346 4.340 -0.000 0.000 0.231 183 R C 1.171 177.481 176.300 0.017 0.000 1.129 183 R CA 2.139 58.253 56.100 0.024 0.000 0.915 183 R CB -1.553 28.761 30.300 0.022 0.000 0.837 183 R HN 0.629 nan 8.270 nan 0.000 0.430 184 S N -3.460 112.247 115.700 0.012 0.000 2.605 184 S HA 0.437 4.906 4.470 -0.000 0.000 0.324 184 S C 0.418 175.019 174.600 0.002 0.000 0.978 184 S CA 0.498 58.703 58.200 0.007 0.000 0.864 184 S CB 0.348 63.552 63.200 0.007 0.000 1.095 184 S HN 2.070 nan 8.310 nan 0.000 0.460 185 G N 3.606 112.405 108.800 -0.002 0.000 2.258 185 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.274 185 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.274 185 G C -0.138 174.756 174.900 -0.009 0.000 1.021 185 G CA 0.980 46.076 45.100 -0.008 0.000 0.798 185 G HN 0.801 nan 8.290 nan 0.000 0.507 186 Q N -0.491 119.306 119.800 -0.005 0.000 2.342 186 Q HA 0.672 5.011 4.340 -0.000 0.000 0.267 186 Q C 0.260 176.255 176.000 -0.008 0.000 1.038 186 Q CA -0.207 55.593 55.803 -0.004 0.000 0.832 186 Q CB 1.591 30.332 28.738 0.005 0.000 1.323 186 Q HN 0.459 nan 8.270 nan 0.000 0.448 187 K N 0.829 121.219 120.400 -0.016 0.000 2.154 187 K HA 0.256 4.576 4.320 -0.000 0.000 0.264 187 K C 0.032 176.620 176.600 -0.020 0.000 1.008 187 K CA -0.455 55.816 56.287 -0.027 0.000 0.937 187 K CB 1.109 33.589 32.500 -0.033 0.000 1.002 187 K HN 0.591 nan 8.250 nan 0.000 0.469 188 T N 0.521 115.063 114.554 -0.021 0.000 2.814 188 T HA 0.420 4.770 4.350 -0.000 0.000 0.297 188 T C 1.318 175.987 174.700 -0.051 0.000 0.956 188 T CA 0.557 62.673 62.100 0.025 0.000 1.123 188 T CB 0.182 69.091 68.868 0.068 0.000 0.902 188 T HN 0.756 nan 8.240 nan 0.000 0.528 189 R N 4.040 124.471 120.500 -0.114 0.000 2.346 189 R HA 0.296 4.636 4.340 -0.000 0.000 0.225 189 R C -0.658 175.169 176.300 -0.787 0.000 0.987 189 R CA 0.426 56.260 56.100 -0.444 0.000 1.106 189 R CB -0.905 29.061 30.300 -0.556 0.000 1.090 189 R HN 0.782 nan 8.270 nan 0.000 0.502 190 Y N -1.961 118.313 120.300 -0.042 0.000 2.513 190 Y HA 0.492 5.042 4.550 -0.000 0.000 0.340 190 Y C 0.179 176.079 175.900 -0.000 0.000 1.055 190 Y CA -1.090 56.995 58.100 -0.026 0.000 1.020 190 Y CB 2.247 40.709 38.460 0.002 0.000 1.301 190 Y HN 0.036 nan 8.280 nan 0.000 0.453 191 S N 1.767 117.483 115.700 0.027 0.000 2.693 191 S HA 0.559 5.029 4.470 -0.000 0.000 0.276 191 S C -1.183 173.667 174.600 0.417 0.000 1.192 191 S CA -0.529 57.632 58.200 -0.065 0.000 0.994 191 S CB 0.425 63.234 63.200 -0.651 0.000 1.012 191 S HN 0.324 nan 8.310 nan 0.000 0.550 192 F N 1.967 121.985 119.950 0.113 0.000 2.361 192 F HA 0.289 4.816 4.527 -0.000 0.000 0.364 192 F C 0.334 176.304 175.800 0.283 0.000 1.117 192 F CA -2.035 56.067 58.000 0.171 0.000 1.071 192 F CB 0.676 39.737 39.000 0.101 0.000 1.188 192 F HN 0.391 nan 8.300 nan 0.000 0.464 193 D N 4.998 125.629 120.400 0.386 0.000 2.441 193 D HA 0.152 4.792 4.640 -0.000 0.000 0.221 193 D C -0.091 176.258 176.300 0.082 0.000 1.156 193 D CA -0.310 53.803 54.000 0.187 0.000 0.896 193 D CB 0.401 41.270 40.800 0.116 0.000 1.028 193 D HN 0.145 nan 8.370 nan 0.000 0.509 194 M N 3.857 123.542 119.600 0.141 0.000 2.238 194 M HA 0.011 4.491 4.480 -0.000 0.000 0.350 194 M C 1.035 177.354 176.300 0.031 0.000 1.321 194 M CA -0.429 54.939 55.300 0.113 0.000 1.097 194 M CB 0.858 33.649 32.600 0.318 0.000 1.713 194 M HN 0.308 nan 8.290 nan 0.000 0.455 195 L N 2.625 123.804 121.223 -0.072 0.000 2.201 195 L HA 0.008 4.348 4.340 -0.000 0.000 0.212 195 L C 1.579 178.451 176.870 0.003 0.000 1.105 195 L CA 0.983 55.763 54.840 -0.099 0.000 0.775 195 L CB -1.092 40.884 42.059 -0.137 0.000 0.913 195 L HN 0.898 nan 8.230 nan 0.000 0.440 196 G N 0.489 109.245 108.800 -0.072 0.000 2.353 196 G HA2 0.305 4.265 3.960 -0.000 0.000 0.239 196 G HA3 0.305 4.265 3.960 -0.000 0.000 0.239 196 G C -0.163 174.504 174.900 -0.389 0.000 1.295 196 G CA -0.109 44.752 45.100 -0.399 0.000 0.884 196 G HN 0.437 nan 8.290 nan 0.000 0.537 197 E N 0.571 120.530 120.200 -0.402 0.000 2.412 197 E HA 0.520 4.870 4.350 -0.000 0.000 0.279 197 E C 0.118 176.647 176.600 -0.119 0.000 0.984 197 E CA -0.864 55.423 56.400 -0.190 0.000 0.788 197 E CB 0.996 30.709 29.700 0.020 0.000 1.277 197 E HN 1.506 nan 8.360 nan 0.000 0.455 198 G N 0.890 109.677 108.800 -0.021 0.000 2.296 198 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.263 198 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.263 198 G C 0.408 175.387 174.900 0.131 0.000 0.887 198 G CA 0.090 45.235 45.100 0.075 0.000 1.318 198 G HN 0.967 nan 8.290 nan 0.000 0.403 199 A N 1.204 124.129 122.820 0.175 0.000 2.546 199 A HA 0.559 4.879 4.320 -0.000 0.000 0.243 199 A C 1.403 179.067 177.584 0.134 0.000 1.063 199 A CA 0.766 52.953 52.037 0.250 0.000 0.757 199 A CB 0.325 19.474 19.000 0.249 0.000 0.991 199 A HN 0.722 nan 8.150 nan 0.000 0.503 200 R N 0.228 120.786 120.500 0.097 0.000 2.237 200 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 200 R C 0.819 177.110 176.300 -0.014 0.000 0.956 200 R CA 1.332 57.452 56.100 0.034 0.000 1.029 200 R CB 0.261 30.573 30.300 0.020 0.000 0.972 200 R HN 0.896 nan 8.270 nan 0.000 0.493 201 T N -4.845 109.700 114.554 -0.015 0.000 2.906 201 T HA 0.631 4.981 4.350 -0.000 0.000 0.295 201 T C 1.039 175.709 174.700 -0.050 0.000 1.075 201 T CA -0.386 61.681 62.100 -0.055 0.000 1.005 201 T CB 1.983 70.810 68.868 -0.070 0.000 1.136 201 T HN -0.067 nan 8.240 nan 0.000 0.498 202 A N 1.296 124.075 122.820 -0.068 0.000 1.908 202 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 202 A C 2.564 180.117 177.584 -0.052 0.000 1.181 202 A CA 2.254 54.251 52.037 -0.066 0.000 0.627 202 A CB -1.531 17.431 19.000 -0.063 0.000 0.818 202 A HN 1.421 nan 8.150 nan 0.000 0.445 203 A N -0.353 122.432 122.820 -0.058 0.000 1.933 203 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 203 A C 1.781 179.307 177.584 -0.096 0.000 1.175 203 A CA 1.810 53.807 52.037 -0.067 0.000 0.628 203 A CB -0.552 18.407 19.000 -0.068 0.000 0.814 203 A HN 0.472 nan 8.150 nan 0.000 0.444 204 D N 0.244 120.585 120.400 -0.098 0.000 2.104 204 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 204 D C 2.256 178.505 176.300 -0.085 0.000 0.994 204 D CA 1.675 55.575 54.000 -0.166 0.000 0.830 204 D CB -0.429 40.361 40.800 -0.017 0.000 0.959 204 D HN 0.418 nan 8.370 nan 0.000 0.452 205 A N 0.917 123.773 122.820 0.061 0.000 1.933 205 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 205 A C 2.191 179.864 177.584 0.149 0.000 1.175 205 A CA 1.189 53.325 52.037 0.164 0.000 0.628 205 A CB -0.346 18.708 19.000 0.089 0.000 0.814 205 A HN 0.131 nan 8.150 nan 0.000 0.444 206 R N -1.033 119.496 120.500 0.048 0.000 2.075 206 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 206 R C 2.532 178.880 176.300 0.081 0.000 1.126 206 R CA 1.417 57.550 56.100 0.055 0.000 0.963 206 R CB -0.332 29.961 30.300 -0.012 0.000 0.858 206 R HN 0.601 nan 8.270 nan 0.000 0.435 207 R N 0.173 120.639 120.500 -0.057 0.000 2.081 207 R HA -0.182 4.158 4.340 -0.000 0.000 0.235 207 R C 1.778 177.989 176.300 -0.148 0.000 1.131 207 R CA 1.626 57.636 56.100 -0.150 0.000 0.960 207 R CB -0.230 29.881 30.300 -0.314 0.000 0.856 207 R HN 0.193 nan 8.270 nan 0.000 0.436 208 Y N -0.415 119.862 120.300 -0.039 0.000 2.242 208 Y HA -0.158 4.392 4.550 -0.000 0.000 0.291 208 Y C 1.943 177.725 175.900 -0.198 0.000 1.137 208 Y CA 1.124 59.099 58.100 -0.209 0.000 1.181 208 Y CB -0.697 37.664 38.460 -0.164 0.000 0.989 208 Y HN 0.103 nan 8.280 nan 0.000 0.527 209 F N 1.378 121.406 119.950 0.129 0.000 2.069 209 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 209 F C 1.900 177.786 175.800 0.144 0.000 1.113 209 F CA 2.020 60.148 58.000 0.214 0.000 1.214 209 F CB -0.258 38.843 39.000 0.168 0.000 0.978 209 F HN -0.021 nan 8.300 nan 0.000 0.474 210 D N 0.538 121.090 120.400 0.254 0.000 2.178 210 D HA -0.129 4.511 4.640 -0.000 0.000 0.202 210 D C 2.361 178.662 176.300 0.001 0.000 0.974 210 D CA 1.285 55.362 54.000 0.128 0.000 0.841 210 D CB -0.714 40.168 40.800 0.136 0.000 0.953 210 D HN 0.418 nan 8.370 nan 0.000 0.478 211 A N 0.520 123.309 122.820 -0.052 0.000 1.877 211 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 211 A C 2.004 179.570 177.584 -0.031 0.000 1.186 211 A CA 1.123 53.110 52.037 -0.084 0.000 0.620 211 A CB -1.052 17.855 19.000 -0.156 0.000 0.822 211 A HN 0.157 nan 8.150 nan 0.000 0.443 212 Y N 0.012 120.320 120.300 0.014 0.000 2.128 212 Y HA -0.160 4.390 4.550 -0.000 0.000 0.284 212 Y C 3.015 178.879 175.900 -0.061 0.000 1.154 212 Y CA 0.605 58.699 58.100 -0.011 0.000 1.149 212 Y CB -1.189 37.247 38.460 -0.040 0.000 0.976 212 Y HN 0.326 nan 8.280 nan 0.000 0.505 213 A N -0.586 122.215 122.820 -0.032 0.000 1.883 213 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 213 A C 2.506 180.093 177.584 0.004 0.000 1.186 213 A CA 2.250 54.236 52.037 -0.084 0.000 0.624 213 A CB -1.128 17.764 19.000 -0.180 0.000 0.822 213 A HN 0.424 nan 8.150 nan 0.000 0.444 214 S N -0.185 115.528 115.700 0.021 0.000 2.356 214 S HA -0.055 4.414 4.470 -0.000 0.000 0.223 214 S C 2.353 176.989 174.600 0.060 0.000 1.032 214 S CA 1.261 59.482 58.200 0.035 0.000 1.005 214 S CB -0.580 62.639 63.200 0.031 0.000 0.867 214 S HN 0.833 nan 8.310 nan 0.000 0.449 215 A N 1.354 124.242 122.820 0.114 0.000 1.908 215 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 215 A C 2.083 179.694 177.584 0.046 0.000 1.181 215 A CA 1.384 53.541 52.037 0.200 0.000 0.627 215 A CB -0.781 18.435 19.000 0.359 0.000 0.818 215 A HN 0.493 nan 8.150 nan 0.000 0.445 216 I N -0.525 120.064 120.570 0.032 0.000 2.286 216 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 216 I C 2.428 178.455 176.117 -0.150 0.000 1.115 216 I CA 1.185 62.461 61.300 -0.040 0.000 1.392 216 I CB -0.235 37.786 38.000 0.035 0.000 1.065 216 I HN 0.270 nan 8.210 nan 0.000 0.418 217 E N 0.294 120.443 120.200 -0.086 0.000 2.072 217 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 217 E C 2.259 178.751 176.600 -0.180 0.000 0.985 217 E CA 1.444 57.768 56.400 -0.127 0.000 0.801 217 E CB -0.610 29.086 29.700 -0.008 0.000 0.750 217 E HN 0.392 nan 8.360 nan 0.000 0.452 218 T N 1.891 116.391 114.554 -0.090 0.000 2.652 218 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 218 T C 2.118 176.720 174.700 -0.162 0.000 1.039 218 T CA 1.147 63.212 62.100 -0.059 0.000 1.153 218 T CB -0.268 68.645 68.868 0.075 0.000 0.863 218 T HN 0.108 nan 8.240 nan 0.000 0.428 219 I N 0.961 121.358 120.570 -0.289 0.000 2.226 219 I HA -0.111 4.059 4.170 -0.000 0.000 0.245 219 I C 2.878 178.781 176.117 -0.356 0.000 1.100 219 I CA 1.305 62.355 61.300 -0.416 0.000 1.374 219 I CB -0.697 36.960 38.000 -0.571 0.000 1.057 219 I HN 0.324 nan 8.210 nan 0.000 0.413 220 G N 0.764 109.255 108.800 -0.516 0.000 2.408 220 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 220 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 220 G C 1.605 176.232 174.900 -0.455 0.000 1.150 220 G CA 0.361 44.976 45.100 -0.808 0.000 0.776 220 G HN 0.330 nan 8.290 nan 0.000 0.542 221 K N 0.377 120.580 120.400 -0.328 0.000 2.551 221 K HA 0.372 4.692 4.320 -0.000 0.000 0.192 221 K C 0.805 177.352 176.600 -0.089 0.000 1.027 221 K CA 0.365 56.574 56.287 -0.130 0.000 1.059 221 K CB 0.372 32.823 32.500 -0.082 0.000 0.831 221 K HN 0.258 nan 8.250 nan 0.000 0.508 222 A N 0.063 122.814 122.820 -0.115 0.000 3.165 222 A HA 0.454 4.774 4.320 -0.000 0.000 0.212 222 A C 0.551 178.082 177.584 -0.087 0.000 0.935 222 A CA -0.349 51.641 52.037 -0.077 0.000 1.100 222 A CB 0.396 19.363 19.000 -0.054 0.000 1.260 222 A HN 0.143 nan 8.150 nan 0.000 0.532 223 A N -0.390 122.377 122.820 -0.088 0.000 2.267 223 A HA 0.563 4.883 4.320 -0.000 0.000 0.213 223 A C 1.478 179.033 177.584 -0.049 0.000 1.192 223 A CA 1.064 53.053 52.037 -0.079 0.000 0.851 223 A CB -0.412 18.544 19.000 -0.075 0.000 0.881 223 A HN 2.356 nan 8.150 nan 0.000 0.494 224 G N -0.171 108.598 108.800 -0.052 0.000 2.741 224 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.222 224 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.222 224 G C -0.082 174.760 174.900 -0.097 0.000 1.364 224 G CA 0.018 45.078 45.100 -0.067 0.000 0.866 224 G HN 0.465 nan 8.290 nan 0.000 0.555 225 N N -0.560 118.018 118.700 -0.204 0.000 2.200 225 N HA 0.251 4.990 4.740 -0.000 0.000 0.224 225 N C 0.359 175.730 175.510 -0.231 0.000 1.179 225 N CA -0.177 52.751 53.050 -0.203 0.000 0.877 225 N CB 0.451 38.814 38.487 -0.206 0.000 1.072 225 N HN 0.640 nan 8.380 nan 0.000 0.519 226 H N 0.341 119.390 119.070 -0.035 0.000 2.546 226 H HA 0.546 5.102 4.556 -0.000 0.000 0.365 226 H C 0.230 175.535 175.328 -0.039 0.000 1.220 226 H CA -0.548 55.476 56.048 -0.039 0.000 1.386 226 H CB 0.874 30.606 29.762 -0.050 0.000 1.510 226 H HN 0.072 nan 8.280 nan 0.000 0.591 227 A N 1.347 124.228 122.820 0.103 0.000 2.264 227 A HA 0.367 4.687 4.320 -0.000 0.000 0.304 227 A C -0.607 176.969 177.584 -0.013 0.000 1.100 227 A CA -0.672 51.383 52.037 0.030 0.000 0.839 227 A CB 0.349 19.358 19.000 0.015 0.000 1.121 227 A HN 0.429 nan 8.150 nan 0.000 0.496 228 L N 1.172 122.370 121.223 -0.041 0.000 2.554 228 L HA 0.096 4.436 4.340 -0.000 0.000 0.293 228 L C -0.881 175.869 176.870 -0.199 0.000 1.252 228 L CA -0.175 54.587 54.840 -0.129 0.000 0.862 228 L CB -0.284 41.693 42.059 -0.136 0.000 1.113 228 L HN 0.603 nan 8.230 nan 0.000 0.510 229 P HA 0.016 nan 4.420 nan 0.000 0.257 229 P C 0.003 177.179 177.300 -0.207 0.000 1.281 229 P CA -0.007 62.856 63.100 -0.395 0.000 0.826 229 P CB 0.244 31.468 31.700 -0.794 0.000 1.237 230 D N 1.091 121.406 120.400 -0.142 0.000 3.032 230 D HA 0.102 4.742 4.640 -0.000 0.000 0.241 230 D C -0.035 176.230 176.300 -0.059 0.000 1.196 230 D CA 0.058 53.992 54.000 -0.110 0.000 0.927 230 D CB -0.250 40.470 40.800 -0.134 0.000 1.129 230 D HN 0.128 nan 8.370 nan 0.000 0.458 231 R N 0.280 120.736 120.500 -0.074 0.000 2.808 231 R HA 0.517 4.857 4.340 -0.000 0.000 0.272 231 R C -2.565 173.682 176.300 -0.089 0.000 0.995 231 R CA -1.864 54.203 56.100 -0.055 0.000 0.917 231 R CB 1.417 31.706 30.300 -0.018 0.000 1.217 231 R HN 0.008 nan 8.270 nan 0.000 0.471 232 P HA 0.197 nan 4.420 nan 0.000 0.274 232 P C -0.550 176.675 177.300 -0.125 0.000 1.237 232 P CA -0.326 62.681 63.100 -0.155 0.000 0.793 232 P CB 0.767 32.345 31.700 -0.204 0.000 0.977 233 G N 0.251 108.960 108.800 -0.152 0.000 2.537 233 G HA2 0.720 4.680 3.960 -0.000 0.000 0.308 233 G HA3 0.720 4.680 3.960 -0.000 0.000 0.308 233 G C -1.674 173.231 174.900 0.007 0.000 1.237 233 G CA -0.682 44.389 45.100 -0.047 0.000 0.968 233 G HN 0.578 nan 8.290 nan 0.000 0.481 234 I N -0.020 120.601 120.570 0.084 0.000 2.582 234 I HA 0.542 4.712 4.170 -0.000 0.000 0.292 234 I C -0.489 175.627 176.117 -0.002 0.000 1.066 234 I CA -0.597 60.768 61.300 0.108 0.000 1.053 234 I CB 2.168 40.211 38.000 0.071 0.000 1.241 234 I HN 0.414 nan 8.210 nan 0.000 0.421 235 S N 5.252 120.979 115.700 0.044 0.000 2.489 235 S HA 0.678 5.148 4.470 -0.000 0.000 0.291 235 S C -0.723 173.732 174.600 -0.242 0.000 1.151 235 S CA -0.513 57.605 58.200 -0.136 0.000 1.082 235 S CB 1.775 64.913 63.200 -0.104 0.000 1.019 235 S HN 0.388 nan 8.310 nan 0.000 0.492 236 V N 3.515 123.164 119.914 -0.441 0.000 2.876 236 V HA 0.485 4.604 4.120 -0.000 0.000 0.312 236 V C -0.612 175.298 176.094 -0.307 0.000 1.085 236 V CA -0.860 61.075 62.300 -0.607 0.000 0.945 236 V CB 2.252 33.502 31.823 -0.955 0.000 1.017 236 V HN 0.726 nan 8.190 nan 0.000 0.428 237 K N 3.510 123.825 120.400 -0.142 0.000 2.358 237 K HA 0.517 4.837 4.320 -0.000 0.000 0.260 237 K C 0.630 177.152 176.600 -0.130 0.000 0.956 237 K CA -0.596 55.636 56.287 -0.091 0.000 0.834 237 K CB 2.021 34.510 32.500 -0.018 0.000 1.102 237 K HN 0.507 nan 8.250 nan 0.000 0.431 238 L N 1.142 122.210 121.223 -0.259 0.000 2.081 238 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 238 L C 2.314 178.851 176.870 -0.555 0.000 1.080 238 L CA 1.687 56.233 54.840 -0.489 0.000 0.754 238 L CB -0.592 40.938 42.059 -0.883 0.000 0.893 238 L HN 0.699 nan 8.230 nan 0.000 0.433 239 S N -0.026 115.431 115.700 -0.405 0.000 2.447 239 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 239 S C 2.022 176.613 174.600 -0.016 0.000 1.006 239 S CA 0.731 58.864 58.200 -0.112 0.000 0.957 239 S CB -0.243 62.998 63.200 0.068 0.000 0.773 239 S HN 0.363 nan 8.310 nan 0.000 0.507 240 A N 1.141 123.922 122.820 -0.065 0.000 2.067 240 A HA 0.398 4.718 4.320 -0.000 0.000 0.217 240 A C 1.988 179.676 177.584 0.173 0.000 1.156 240 A CA 0.623 52.596 52.037 -0.108 0.000 0.683 240 A CB -0.433 18.374 19.000 -0.321 0.000 0.808 240 A HN 0.570 nan 8.150 nan 0.000 0.455 241 L N -1.315 120.012 121.223 0.174 0.000 2.640 241 L HA 0.236 4.576 4.340 -0.000 0.000 0.230 241 L C 0.493 177.514 176.870 0.252 0.000 1.123 241 L CA -0.001 54.997 54.840 0.263 0.000 0.900 241 L CB 0.179 42.401 42.059 0.271 0.000 1.146 241 L HN 0.435 nan 8.230 nan 0.000 0.484 242 H N 0.306 119.441 119.070 0.109 0.000 2.947 242 H HA 0.217 4.773 4.556 -0.000 0.000 0.354 242 H C -2.288 173.132 175.328 0.154 0.000 1.085 242 H CA -1.180 54.950 56.048 0.137 0.000 1.253 242 H CB 3.069 32.937 29.762 0.176 0.000 1.757 242 H HN -0.265 nan 8.280 nan 0.000 0.523 243 P HA 0.039 nan 4.420 nan 0.000 0.236 243 P C 0.217 177.588 177.300 0.119 0.000 1.177 243 P CA 0.389 63.495 63.100 0.009 0.000 0.773 243 P CB 0.560 32.206 31.700 -0.091 0.000 0.878 244 R N -0.059 120.630 120.500 0.316 0.000 2.681 244 R HA 0.275 4.615 4.340 -0.000 0.000 0.277 244 R C -0.973 175.627 176.300 0.500 0.000 1.563 244 R CA -0.769 55.550 56.100 0.364 0.000 1.673 244 R CB -1.027 29.462 30.300 0.315 0.000 1.258 244 R HN 0.142 nan 8.270 nan 0.000 0.650 245 F N 3.476 123.587 119.950 0.269 0.000 2.566 245 F HA 0.103 4.630 4.527 -0.000 0.000 0.349 245 F C 0.252 176.104 175.800 0.086 0.000 1.245 245 F CA -0.031 58.048 58.000 0.131 0.000 1.169 245 F CB 0.310 39.382 39.000 0.120 0.000 1.470 245 F HN 0.287 nan 8.300 nan 0.000 0.634 246 E N 3.123 123.197 120.200 -0.210 0.000 2.392 246 E HA 0.514 4.864 4.350 -0.000 0.000 0.279 246 E C -0.395 176.103 176.600 -0.170 0.000 0.964 246 E CA -0.781 55.518 56.400 -0.168 0.000 0.777 246 E CB 1.291 31.008 29.700 0.028 0.000 1.249 246 E HN 0.320 nan 8.360 nan 0.000 0.449 247 A N 2.551 125.292 122.820 -0.132 0.000 1.917 247 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 247 A C 2.114 179.666 177.584 -0.052 0.000 1.182 247 A CA 2.048 54.029 52.037 -0.094 0.000 0.633 247 A CB -1.175 17.798 19.000 -0.045 0.000 0.819 247 A HN 0.739 nan 8.150 nan 0.000 0.448 248 I N -3.617 116.954 120.570 0.003 0.000 2.614 248 I HA -0.039 4.130 4.170 -0.000 0.000 0.258 248 I C 1.164 177.263 176.117 -0.031 0.000 1.189 248 I CA 1.734 63.025 61.300 -0.014 0.000 1.462 248 I CB -0.134 37.887 38.000 0.036 0.000 1.092 248 I HN 0.073 nan 8.210 nan 0.000 0.442 249 S N 0.972 116.671 115.700 -0.002 0.000 2.583 249 S HA 0.216 4.685 4.470 -0.000 0.000 0.239 249 S C 1.530 176.118 174.600 -0.021 0.000 0.966 249 S CA -0.423 57.789 58.200 0.020 0.000 0.973 249 S CB -0.205 63.072 63.200 0.128 0.000 0.794 249 S HN 0.465 nan 8.310 nan 0.000 0.463 250 R N 2.151 122.620 120.500 -0.051 0.000 2.117 250 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 250 R C 2.122 178.404 176.300 -0.029 0.000 1.143 250 R CA 1.720 57.785 56.100 -0.058 0.000 0.968 250 R CB -0.469 29.798 30.300 -0.055 0.000 0.863 250 R HN 0.410 nan 8.270 nan 0.000 0.444 251 A N 2.046 124.855 122.820 -0.017 0.000 1.851 251 A HA -0.255 4.064 4.320 -0.000 0.000 0.216 251 A C 2.203 179.796 177.584 0.015 0.000 1.195 251 A CA 1.964 54.000 52.037 -0.002 0.000 0.622 251 A CB -0.705 18.293 19.000 -0.005 0.000 0.831 251 A HN 0.647 nan 8.150 nan 0.000 0.444 252 R N -0.704 119.816 120.500 0.034 0.000 2.148 252 R HA 0.000 4.340 4.340 -0.000 0.000 0.227 252 R C 1.657 177.990 176.300 0.054 0.000 1.103 252 R CA 1.419 57.566 56.100 0.079 0.000 0.983 252 R CB -0.903 29.484 30.300 0.145 0.000 0.874 252 R HN 0.233 nan 8.270 nan 0.000 0.451 253 V N 1.596 121.463 119.914 -0.077 0.000 2.295 253 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 253 V C 2.506 178.579 176.094 -0.036 0.000 1.049 253 V CA 1.764 63.923 62.300 -0.234 0.000 1.024 253 V CB -0.359 31.343 31.823 -0.201 0.000 0.648 253 V HN 0.328 nan 8.190 nan 0.000 0.447 254 M N -0.741 118.864 119.600 0.008 0.000 2.213 254 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 254 M C 2.183 178.513 176.300 0.050 0.000 1.062 254 M CA 1.514 56.839 55.300 0.042 0.000 1.105 254 M CB -1.154 31.469 32.600 0.038 0.000 1.385 254 M HN 0.270 nan 8.290 nan 0.000 0.417 255 V N 0.016 119.960 119.914 0.049 0.000 2.407 255 V HA -0.198 3.921 4.120 -0.000 0.000 0.245 255 V C 2.094 178.232 176.094 0.073 0.000 1.041 255 V CA 1.606 63.939 62.300 0.055 0.000 1.040 255 V CB -0.445 31.409 31.823 0.051 0.000 0.671 255 V HN 0.458 nan 8.190 nan 0.000 0.455 256 E N -0.541 119.724 120.200 0.108 0.000 2.127 256 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 256 E C 1.941 178.638 176.600 0.162 0.000 0.964 256 E CA 0.548 57.037 56.400 0.149 0.000 0.832 256 E CB -0.051 29.802 29.700 0.255 0.000 0.790 256 E HN 0.343 nan 8.360 nan 0.000 0.465 257 L N 0.755 122.079 121.223 0.169 0.000 2.095 257 L HA -0.044 4.295 4.340 -0.000 0.000 0.204 257 L C 2.066 179.022 176.870 0.144 0.000 1.080 257 L CA 1.191 56.136 54.840 0.176 0.000 0.759 257 L CB -0.271 41.873 42.059 0.142 0.000 0.914 257 L HN -0.055 nan 8.230 nan 0.000 0.439 258 V N 1.146 121.129 119.914 0.115 0.000 2.252 258 V HA -0.226 3.893 4.120 -0.000 0.000 0.249 258 V C -0.111 176.041 176.094 0.096 0.000 1.056 258 V CA 2.491 64.854 62.300 0.105 0.000 1.022 258 V CB -1.924 29.947 31.823 0.080 0.000 0.641 258 V HN 0.366 nan 8.190 nan 0.000 0.445 259 P HA -0.126 nan 4.420 nan 0.000 0.220 259 P C 1.725 179.083 177.300 0.097 0.000 1.148 259 P CA 1.110 64.248 63.100 0.063 0.000 0.803 259 P CB -0.071 31.652 31.700 0.039 0.000 0.782 260 Q N -0.753 119.123 119.800 0.127 0.000 2.046 260 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 260 Q C 2.143 178.346 176.000 0.339 0.000 0.975 260 Q CA 1.113 57.045 55.803 0.216 0.000 0.836 260 Q CB -1.259 27.598 28.738 0.197 0.000 0.896 260 Q HN 0.239 nan 8.270 nan 0.000 0.428 261 L N 0.881 122.260 121.223 0.260 0.000 2.083 261 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 261 L C 2.191 179.166 176.870 0.175 0.000 1.083 261 L CA 1.081 56.081 54.840 0.268 0.000 0.752 261 L CB -0.686 41.530 42.059 0.262 0.000 0.899 261 L HN 0.173 nan 8.230 nan 0.000 0.433 262 L N -0.477 120.815 121.223 0.115 0.000 2.017 262 L HA -0.216 4.123 4.340 -0.000 0.000 0.208 262 L C 2.228 179.097 176.870 -0.002 0.000 1.073 262 L CA 2.150 57.004 54.840 0.024 0.000 0.745 262 L CB -1.027 41.039 42.059 0.011 0.000 0.894 262 L HN 0.417 nan 8.230 nan 0.000 0.432 263 D N -0.503 119.950 120.400 0.088 0.000 2.092 263 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 263 D C 2.210 178.531 176.300 0.036 0.000 0.994 263 D CA 1.878 55.946 54.000 0.113 0.000 0.828 263 D CB -0.199 40.775 40.800 0.289 0.000 0.963 263 D HN 0.446 nan 8.370 nan 0.000 0.450 264 L N 0.174 121.430 121.223 0.055 0.000 2.083 264 L HA -0.124 4.215 4.340 -0.000 0.000 0.209 264 L C 2.694 179.329 176.870 -0.393 0.000 1.083 264 L CA 1.192 55.974 54.840 -0.097 0.000 0.752 264 L CB -0.458 41.633 42.059 0.054 0.000 0.899 264 L HN 0.039 nan 8.230 nan 0.000 0.433 265 A N -0.558 121.918 122.820 -0.574 0.000 1.969 265 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 265 A C 2.213 179.425 177.584 -0.619 0.000 1.169 265 A CA 1.312 52.836 52.037 -0.854 0.000 0.635 265 A CB -0.348 18.421 19.000 -0.387 0.000 0.810 265 A HN 0.478 nan 8.150 nan 0.000 0.445 266 Q N -0.611 118.958 119.800 -0.385 0.000 2.119 266 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 266 Q C 2.286 178.066 176.000 -0.366 0.000 0.972 266 Q CA 1.311 56.903 55.803 -0.351 0.000 0.847 266 Q CB -0.167 28.454 28.738 -0.194 0.000 0.903 266 Q HN 0.610 nan 8.270 nan 0.000 0.433 267 R N 0.237 120.574 120.500 -0.272 0.000 2.092 267 R HA -0.054 4.285 4.340 -0.000 0.000 0.231 267 R C 2.223 178.409 176.300 -0.190 0.000 1.119 267 R CA 1.084 57.074 56.100 -0.184 0.000 0.970 267 R CB -0.280 29.966 30.300 -0.090 0.000 0.864 267 R HN 0.187 nan 8.270 nan 0.000 0.440 268 A N 1.815 124.458 122.820 -0.294 0.000 1.897 268 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 268 A C 2.098 179.370 177.584 -0.520 0.000 1.181 268 A CA 1.289 53.185 52.037 -0.235 0.000 0.620 268 A CB -0.346 18.594 19.000 -0.100 0.000 0.821 268 A HN 0.222 nan 8.150 nan 0.000 0.443 269 K N 0.093 119.836 120.400 -1.095 0.000 2.103 269 K HA -0.123 4.196 4.320 -0.000 0.000 0.207 269 K C 2.000 178.180 176.600 -0.701 0.000 1.048 269 K CA 1.382 56.769 56.287 -1.501 0.000 0.930 269 K CB -0.373 31.230 32.500 -1.496 0.000 0.716 269 K HN 0.322 nan 8.250 nan 0.000 0.444 270 A N 0.750 123.269 122.820 -0.502 0.000 2.024 270 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 270 A C 1.343 178.653 177.584 -0.458 0.000 1.164 270 A CA 1.303 53.087 52.037 -0.421 0.000 0.643 270 A CB -0.525 18.228 19.000 -0.412 0.000 0.806 270 A HN 0.452 nan 8.150 nan 0.000 0.451 271 H N -1.794 117.146 119.070 -0.215 0.000 2.594 271 H HA 0.108 4.663 4.556 -0.000 0.000 0.279 271 H C -0.150 175.111 175.328 -0.112 0.000 1.042 271 H CA 0.435 56.400 56.048 -0.139 0.000 1.177 271 H CB 0.243 29.936 29.762 -0.115 0.000 1.524 271 H HN 0.502 nan 8.280 nan 0.000 0.537 272 D N 0.998 121.345 120.400 -0.088 0.000 2.689 272 D HA -0.175 4.464 4.640 -0.000 0.000 0.237 272 D C -0.399 175.997 176.300 0.160 0.000 1.148 272 D CA 0.258 54.275 54.000 0.027 0.000 0.656 272 D CB -1.368 39.467 40.800 0.058 0.000 1.050 272 D HN 0.354 nan 8.370 nan 0.000 0.426 273 L N -0.047 121.278 121.223 0.170 0.000 2.431 273 L HA 0.353 4.693 4.340 -0.000 0.000 0.260 273 L C 1.347 178.455 176.870 0.397 0.000 1.098 273 L CA -0.832 54.132 54.840 0.207 0.000 0.800 273 L CB 0.816 42.952 42.059 0.127 0.000 1.210 273 L HN 0.124 nan 8.230 nan 0.000 0.465 274 N N 0.515 119.354 118.700 0.231 0.000 2.458 274 N HA 0.192 4.931 4.740 -0.000 0.000 0.270 274 N C -1.617 174.072 175.510 0.298 0.000 1.102 274 N CA -0.317 52.860 53.050 0.213 0.000 0.967 274 N CB 0.674 39.198 38.487 0.061 0.000 1.078 274 N HN 0.353 nan 8.380 nan 0.000 0.471 275 F N 3.144 123.193 119.950 0.164 0.000 2.500 275 F HA 0.321 4.848 4.527 -0.000 0.000 0.349 275 F C -0.965 174.761 175.800 -0.124 0.000 1.127 275 F CA -0.361 57.708 58.000 0.115 0.000 0.998 275 F CB 1.322 40.554 39.000 0.388 0.000 1.237 275 F HN 0.210 nan 8.300 nan 0.000 0.439 276 T N 5.603 119.876 114.554 -0.468 0.000 2.792 276 T HA 0.434 4.784 4.350 -0.000 0.000 0.280 276 T C -0.715 173.661 174.700 -0.541 0.000 0.990 276 T CA -0.596 61.253 62.100 -0.418 0.000 0.960 276 T CB 1.634 70.382 68.868 -0.200 0.000 0.939 276 T HN 0.247 nan 8.240 nan 0.000 0.439 277 V N 4.346 123.988 119.914 -0.453 0.000 2.408 277 V HA 0.170 4.290 4.120 -0.000 0.000 0.267 277 V C 0.399 176.368 176.094 -0.208 0.000 1.047 277 V CA -0.786 61.320 62.300 -0.323 0.000 0.937 277 V CB 0.425 32.128 31.823 -0.200 0.000 0.999 277 V HN 0.807 nan 8.190 nan 0.000 0.472 278 D N 3.278 123.571 120.400 -0.178 0.000 2.362 278 D HA 0.384 5.024 4.640 -0.000 0.000 0.238 278 D C 0.349 176.624 176.300 -0.042 0.000 1.212 278 D CA 0.262 54.204 54.000 -0.097 0.000 0.902 278 D CB 1.012 41.780 40.800 -0.054 0.000 1.180 278 D HN 0.719 nan 8.370 nan 0.000 0.445 279 A N 1.265 124.087 122.820 0.004 0.000 2.292 279 A HA 0.460 4.779 4.320 -0.000 0.000 0.319 279 A C 0.295 177.926 177.584 0.079 0.000 1.206 279 A CA -0.520 51.538 52.037 0.034 0.000 0.835 279 A CB 0.909 19.932 19.000 0.038 0.000 1.164 279 A HN 0.508 nan 8.150 nan 0.000 0.505 280 E N 0.952 121.142 120.200 -0.017 0.000 3.010 280 E HA 0.321 4.671 4.350 -0.000 0.000 0.199 280 E C -0.748 175.559 176.600 -0.488 0.000 0.698 280 E CA -0.851 55.376 56.400 -0.288 0.000 1.360 280 E CB 0.140 29.752 29.700 -0.147 0.000 1.860 280 E HN 0.737 nan 8.360 nan 0.000 0.376 281 E N 0.440 120.307 120.200 -0.555 0.000 2.422 281 E HA 0.073 4.423 4.350 -0.000 0.000 0.260 281 E C 0.461 177.002 176.600 -0.099 0.000 1.108 281 E CA 0.374 56.566 56.400 -0.346 0.000 0.943 281 E CB 0.528 30.098 29.700 -0.217 0.000 0.961 281 E HN 0.549 nan 8.360 nan 0.000 0.443 282 A N 2.425 125.226 122.820 -0.033 0.000 1.972 282 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 282 A C 1.493 179.152 177.584 0.125 0.000 1.169 282 A CA 1.868 53.907 52.037 0.003 0.000 0.635 282 A CB -0.628 18.317 19.000 -0.091 0.000 0.810 282 A HN 0.737 nan 8.150 nan 0.000 0.446 283 D N -0.934 119.548 120.400 0.137 0.000 2.378 283 D HA -0.089 4.551 4.640 -0.000 0.000 0.227 283 D C 1.465 177.783 176.300 0.031 0.000 1.012 283 D CA 0.652 54.729 54.000 0.129 0.000 0.905 283 D CB -0.352 40.478 40.800 0.050 0.000 0.895 283 D HN 0.485 nan 8.370 nan 0.000 0.532 284 R N -0.794 119.712 120.500 0.009 0.000 2.437 284 R HA 0.233 4.573 4.340 -0.000 0.000 0.257 284 R C 1.590 177.902 176.300 0.020 0.000 0.927 284 R CA -0.341 55.731 56.100 -0.046 0.000 1.078 284 R CB 0.146 30.465 30.300 0.032 0.000 1.161 284 R HN 0.049 nan 8.270 nan 0.000 0.529 285 L N 1.764 123.012 121.223 0.042 0.000 1.989 285 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 285 L C 1.675 178.552 176.870 0.011 0.000 1.071 285 L CA 1.997 56.851 54.840 0.023 0.000 0.749 285 L CB -0.224 41.844 42.059 0.015 0.000 0.890 285 L HN 0.123 nan 8.230 nan 0.000 0.431 286 E N -0.821 119.415 120.200 0.059 0.000 2.051 286 E HA -0.257 4.092 4.350 -0.000 0.000 0.192 286 E C 2.145 178.758 176.600 0.022 0.000 0.991 286 E CA 1.418 57.858 56.400 0.067 0.000 0.799 286 E CB -0.376 29.382 29.700 0.097 0.000 0.748 286 E HN 0.401 nan 8.360 nan 0.000 0.449 287 L N 1.274 122.481 121.223 -0.026 0.000 2.046 287 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 287 L C 2.450 179.383 176.870 0.104 0.000 1.077 287 L CA 2.233 57.036 54.840 -0.062 0.000 0.747 287 L CB -0.712 41.139 42.059 -0.346 0.000 0.896 287 L HN 0.101 nan 8.230 nan 0.000 0.432 288 S N -1.061 114.753 115.700 0.190 0.000 2.368 288 S HA -0.196 4.273 4.470 -0.000 0.000 0.225 288 S C 2.066 176.768 174.600 0.170 0.000 1.030 288 S CA 1.532 59.916 58.200 0.307 0.000 0.999 288 S CB -0.959 62.391 63.200 0.250 0.000 0.844 288 S HN 0.498 nan 8.310 nan 0.000 0.459 289 L N 1.364 122.631 121.223 0.074 0.000 2.093 289 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 289 L C 2.516 179.476 176.870 0.150 0.000 1.085 289 L CA 1.441 56.314 54.840 0.055 0.000 0.755 289 L CB -0.730 41.204 42.059 -0.207 0.000 0.904 289 L HN 0.254 nan 8.230 nan 0.000 0.435 290 D N -0.090 120.383 120.400 0.121 0.000 2.104 290 D HA -0.170 4.469 4.640 -0.000 0.000 0.194 290 D C 2.328 178.723 176.300 0.159 0.000 0.994 290 D CA 1.237 55.322 54.000 0.143 0.000 0.830 290 D CB -0.305 40.552 40.800 0.096 0.000 0.959 290 D HN 0.091 nan 8.370 nan 0.000 0.452 291 V N 1.061 121.078 119.914 0.173 0.000 2.407 291 V HA -0.191 3.928 4.120 -0.000 0.000 0.248 291 V C 2.492 178.699 176.094 0.189 0.000 1.055 291 V CA 1.044 63.453 62.300 0.181 0.000 1.049 291 V CB -0.267 31.694 31.823 0.229 0.000 0.662 291 V HN 0.186 nan 8.190 nan 0.000 0.455 292 I N 0.095 120.797 120.570 0.219 0.000 2.286 292 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 292 I C 2.650 178.903 176.117 0.226 0.000 1.104 292 I CA 1.274 62.742 61.300 0.280 0.000 1.397 292 I CB -0.535 37.641 38.000 0.293 0.000 1.072 292 I HN 0.279 nan 8.210 nan 0.000 0.417 293 A N 0.889 123.841 122.820 0.221 0.000 1.877 293 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 293 A C 2.552 180.181 177.584 0.076 0.000 1.186 293 A CA 1.975 54.118 52.037 0.177 0.000 0.620 293 A CB -0.920 18.243 19.000 0.273 0.000 0.822 293 A HN 0.425 nan 8.150 nan 0.000 0.443 294 A N -1.012 121.864 122.820 0.093 0.000 1.908 294 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 294 A C 2.324 179.899 177.584 -0.014 0.000 1.181 294 A CA 2.449 54.515 52.037 0.048 0.000 0.627 294 A CB -1.313 17.730 19.000 0.072 0.000 0.818 294 A HN 0.458 nan 8.150 nan 0.000 0.445 295 T N -0.091 114.464 114.554 0.002 0.000 2.737 295 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 295 T C 1.833 176.391 174.700 -0.237 0.000 1.038 295 T CA 1.460 63.526 62.100 -0.056 0.000 1.144 295 T CB -0.387 68.510 68.868 0.049 0.000 0.866 295 T HN 0.323 nan 8.240 nan 0.000 0.434 296 L N 1.383 122.403 121.223 -0.339 0.000 2.191 296 L HA 0.100 4.440 4.340 -0.000 0.000 0.212 296 L C 2.506 179.058 176.870 -0.530 0.000 1.103 296 L CA 1.440 55.956 54.840 -0.540 0.000 0.769 296 L CB -0.733 41.069 42.059 -0.428 0.000 0.908 296 L HN 0.226 nan 8.230 nan 0.000 0.438 297 A N -1.326 121.192 122.820 -0.504 0.000 2.019 297 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 297 A C 1.261 178.671 177.584 -0.290 0.000 1.164 297 A CA 0.951 52.629 52.037 -0.599 0.000 0.644 297 A CB -0.835 18.033 19.000 -0.220 0.000 0.805 297 A HN 0.544 nan 8.150 nan 0.000 0.449 298 D N -0.164 120.113 120.400 -0.205 0.000 2.450 298 D HA 0.069 4.709 4.640 -0.000 0.000 0.247 298 D C -1.649 174.587 176.300 -0.107 0.000 1.162 298 D CA -1.247 52.681 54.000 -0.119 0.000 0.879 298 D CB 0.991 41.732 40.800 -0.098 0.000 1.163 298 D HN 0.044 nan 8.370 nan 0.000 0.472 299 P HA -0.134 nan 4.420 nan 0.000 0.221 299 P C 1.275 178.554 177.300 -0.035 0.000 1.145 299 P CA 0.851 63.930 63.100 -0.036 0.000 0.795 299 P CB 0.068 31.757 31.700 -0.018 0.000 0.775 300 S N -1.323 114.349 115.700 -0.047 0.000 2.555 300 S HA -0.022 4.448 4.470 -0.000 0.000 0.230 300 S C 1.446 176.023 174.600 -0.038 0.000 0.978 300 S CA 0.683 58.855 58.200 -0.047 0.000 0.934 300 S CB -1.172 61.992 63.200 -0.060 0.000 0.766 300 S HN 0.145 nan 8.310 nan 0.000 0.533 301 L N -0.097 121.114 121.223 -0.021 0.000 2.640 301 L HA 0.338 4.678 4.340 -0.000 0.000 0.230 301 L C 0.864 177.806 176.870 0.121 0.000 1.123 301 L CA -0.253 54.635 54.840 0.080 0.000 0.900 301 L CB -0.044 42.038 42.059 0.039 0.000 1.146 301 L HN 0.116 nan 8.230 nan 0.000 0.484 302 K N 0.628 121.055 120.400 0.046 0.000 2.380 302 K HA 0.190 4.510 4.320 -0.000 0.000 0.267 302 K C 1.166 177.820 176.600 0.091 0.000 0.990 302 K CA 0.882 57.198 56.287 0.049 0.000 0.946 302 K CB 0.460 32.973 32.500 0.022 0.000 0.937 302 K HN 0.193 nan 8.250 nan 0.000 0.491 303 G N 1.590 110.439 108.800 0.081 0.000 2.155 303 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.257 303 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.257 303 G C -0.912 174.096 174.900 0.180 0.000 0.983 303 G CA 0.547 45.702 45.100 0.092 0.000 0.676 303 G HN 0.658 nan 8.290 nan 0.000 0.528 304 W N 0.824 122.108 121.300 -0.026 0.000 2.839 304 W HA 0.717 5.377 4.660 -0.000 0.000 0.334 304 W C -0.657 175.866 176.519 0.007 0.000 1.064 304 W CA -1.283 56.052 57.345 -0.017 0.000 1.236 304 W CB 1.368 30.812 29.460 -0.026 0.000 1.405 304 W HN -0.063 nan 8.180 nan 0.000 0.478 305 D N 2.726 122.911 120.400 -0.358 0.000 2.440 305 D HA 0.173 4.813 4.640 -0.000 0.000 0.216 305 D C 1.532 177.485 176.300 -0.578 0.000 1.150 305 D CA 0.222 53.982 54.000 -0.400 0.000 0.832 305 D CB 0.705 41.400 40.800 -0.175 0.000 0.992 305 D HN 0.639 nan 8.370 nan 0.000 0.502 306 G N -0.046 108.075 108.800 -1.132 0.000 2.986 306 G HA2 0.025 3.985 3.960 -0.000 0.000 0.213 306 G HA3 0.025 3.985 3.960 -0.000 0.000 0.213 306 G C 0.299 174.892 174.900 -0.512 0.000 1.156 306 G CA -0.341 44.440 45.100 -0.532 0.000 0.763 306 G HN 0.120 nan 8.290 nan 0.000 0.547 307 F N 1.706 120.908 119.950 -1.247 0.000 2.459 307 F HA 0.531 5.058 4.527 -0.000 0.000 0.346 307 F C 0.718 176.382 175.800 -0.227 0.000 1.128 307 F CA 0.941 58.590 58.000 -0.585 0.000 1.268 307 F CB 1.174 39.782 39.000 -0.652 0.000 1.161 307 F HN 0.201 nan 8.300 nan 0.000 0.583 308 G N 4.199 112.529 108.800 -0.783 0.000 2.341 308 G HA2 0.491 4.451 3.960 -0.000 0.000 0.299 308 G HA3 0.491 4.451 3.960 -0.000 0.000 0.299 308 G C -2.077 172.529 174.900 -0.491 0.000 1.274 308 G CA -0.390 44.437 45.100 -0.455 0.000 0.853 308 G HN 1.189 nan 8.290 nan 0.000 0.493 309 L N -2.982 118.089 121.223 -0.253 0.000 2.600 309 L HA 0.974 5.314 4.340 -0.000 0.000 0.257 309 L C -0.300 176.491 176.870 -0.131 0.000 1.048 309 L CA -1.170 53.552 54.840 -0.197 0.000 0.869 309 L CB 1.577 43.560 42.059 -0.127 0.000 1.482 309 L HN 1.448 nan 8.230 nan 0.000 0.408 310 A N 1.628 124.382 122.820 -0.110 0.000 2.310 310 A HA 0.831 5.151 4.320 -0.000 0.000 0.299 310 A C -0.567 176.986 177.584 -0.052 0.000 1.147 310 A CA -0.483 51.507 52.037 -0.078 0.000 0.818 310 A CB 0.583 19.541 19.000 -0.070 0.000 1.096 310 A HN 0.640 nan 8.150 nan 0.000 0.495 311 I N 1.275 121.821 120.570 -0.041 0.000 2.466 311 I HA 0.218 4.388 4.170 -0.000 0.000 0.289 311 I C -0.544 175.585 176.117 0.020 0.000 1.026 311 I CA -0.332 60.956 61.300 -0.020 0.000 1.078 311 I CB 2.225 40.201 38.000 -0.039 0.000 1.249 311 I HN 0.718 nan 8.210 nan 0.000 0.429 312 Q N 4.323 124.163 119.800 0.067 0.000 2.349 312 Q HA 0.397 4.737 4.340 -0.000 0.000 0.254 312 Q C 0.840 176.975 176.000 0.224 0.000 0.980 312 Q CA -0.310 55.560 55.803 0.112 0.000 0.924 312 Q CB 1.830 30.672 28.738 0.175 0.000 1.209 312 Q HN 0.837 nan 8.270 nan 0.000 0.445 313 A N 3.043 126.000 122.820 0.227 0.000 2.121 313 A HA -0.184 4.135 4.320 -0.000 0.000 0.218 313 A C 1.333 179.217 177.584 0.500 0.000 1.154 313 A CA 0.939 53.158 52.037 0.303 0.000 0.679 313 A CB -0.411 18.770 19.000 0.301 0.000 0.795 313 A HN 0.864 nan 8.150 nan 0.000 0.458 314 Y N 0.134 120.619 120.300 0.308 0.000 2.578 314 Y HA 0.221 4.771 4.550 -0.000 0.000 0.297 314 Y C 0.427 176.489 175.900 0.269 0.000 1.176 314 Y CA -0.586 57.755 58.100 0.401 0.000 1.315 314 Y CB -1.220 37.443 38.460 0.339 0.000 1.031 314 Y HN 0.389 nan 8.280 nan 0.000 0.524 315 Q N 1.338 121.370 119.800 0.388 0.000 2.243 315 Q HA 0.179 4.518 4.340 -0.000 0.000 0.252 315 Q C 0.531 176.453 176.000 -0.129 0.000 0.909 315 Q CA -0.448 55.337 55.803 -0.031 0.000 0.922 315 Q CB 1.672 30.426 28.738 0.026 0.000 1.215 315 Q HN 0.298 nan 8.270 nan 0.000 0.427 316 K N 1.264 121.401 120.400 -0.439 0.000 2.280 316 K HA -0.136 4.184 4.320 -0.000 0.000 0.202 316 K C 1.363 177.936 176.600 -0.044 0.000 1.047 316 K CA 1.121 57.207 56.287 -0.335 0.000 0.942 316 K CB 0.140 32.405 32.500 -0.393 0.000 0.739 316 K HN 0.356 nan 8.250 nan 0.000 0.457 317 R N 0.203 120.686 120.500 -0.028 0.000 2.313 317 R HA 0.124 4.464 4.340 -0.000 0.000 0.199 317 R C 2.030 178.415 176.300 0.141 0.000 0.958 317 R CA 0.361 56.520 56.100 0.099 0.000 1.047 317 R CB 0.006 30.394 30.300 0.147 0.000 0.955 317 R HN 0.153 nan 8.270 nan 0.000 0.481 318 A N 0.741 123.628 122.820 0.111 0.000 1.873 318 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 318 A C 2.175 179.818 177.584 0.098 0.000 1.193 318 A CA 2.100 54.199 52.037 0.103 0.000 0.629 318 A CB -0.714 18.373 19.000 0.146 0.000 0.826 318 A HN 0.291 nan 8.150 nan 0.000 0.447 319 S N -0.792 114.981 115.700 0.122 0.000 2.382 319 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 319 S C 2.117 176.800 174.600 0.137 0.000 1.027 319 S CA 1.524 59.789 58.200 0.108 0.000 0.991 319 S CB -0.448 62.815 63.200 0.105 0.000 0.823 319 S HN 0.828 nan 8.310 nan 0.000 0.469 320 A N 0.525 123.465 122.820 0.200 0.000 1.930 320 A HA 0.032 4.351 4.320 -0.000 0.000 0.217 320 A C 2.247 180.068 177.584 0.396 0.000 1.175 320 A CA 1.485 53.714 52.037 0.321 0.000 0.627 320 A CB -0.767 18.459 19.000 0.377 0.000 0.815 320 A HN 0.436 nan 8.150 nan 0.000 0.443 321 V N 0.294 120.300 119.914 0.154 0.000 2.407 321 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 321 V C 2.386 178.501 176.094 0.034 0.000 1.055 321 V CA 1.953 64.156 62.300 -0.161 0.000 1.049 321 V CB -0.733 30.924 31.823 -0.278 0.000 0.662 321 V HN 0.573 nan 8.190 nan 0.000 0.455 322 I N 0.112 120.717 120.570 0.058 0.000 2.163 322 I HA -0.247 3.923 4.170 -0.000 0.000 0.243 322 I C 2.369 178.540 176.117 0.090 0.000 1.085 322 I CA 1.695 63.026 61.300 0.052 0.000 1.347 322 I CB -0.532 37.486 38.000 0.031 0.000 1.044 322 I HN 0.313 nan 8.210 nan 0.000 0.408 323 D N 0.180 120.658 120.400 0.131 0.000 2.092 323 D HA -0.267 4.373 4.640 -0.000 0.000 0.193 323 D C 1.948 178.348 176.300 0.167 0.000 0.994 323 D CA 1.593 55.676 54.000 0.138 0.000 0.828 323 D CB -0.594 40.302 40.800 0.159 0.000 0.963 323 D HN 0.368 nan 8.370 nan 0.000 0.450 324 Y N 1.600 121.979 120.300 0.133 0.000 2.114 324 Y HA -0.266 4.284 4.550 -0.000 0.000 0.282 324 Y C 2.291 178.235 175.900 0.075 0.000 1.165 324 Y CA 1.379 59.565 58.100 0.144 0.000 1.148 324 Y CB -0.356 38.239 38.460 0.225 0.000 0.972 324 Y HN -0.192 nan 8.280 nan 0.000 0.504 325 V N 0.463 120.471 119.914 0.157 0.000 2.407 325 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 325 V C 2.039 178.128 176.094 -0.009 0.000 1.055 325 V CA 2.263 64.600 62.300 0.062 0.000 1.049 325 V CB -0.766 31.104 31.823 0.078 0.000 0.662 325 V HN 0.451 nan 8.190 nan 0.000 0.455 326 D N 0.200 120.602 120.400 0.004 0.000 2.117 326 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 326 D C 2.137 178.415 176.300 -0.037 0.000 0.982 326 D CA 1.460 55.456 54.000 -0.007 0.000 0.828 326 D CB -0.157 40.648 40.800 0.008 0.000 0.967 326 D HN 0.360 nan 8.370 nan 0.000 0.464 327 A N -0.135 122.646 122.820 -0.065 0.000 1.933 327 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 327 A C 2.096 179.593 177.584 -0.144 0.000 1.175 327 A CA 0.951 52.929 52.037 -0.099 0.000 0.628 327 A CB -0.745 18.192 19.000 -0.104 0.000 0.814 327 A HN 0.343 nan 8.150 nan 0.000 0.444 328 L N -0.313 120.794 121.223 -0.194 0.000 1.994 328 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 328 L C 2.890 179.770 176.870 0.017 0.000 1.071 328 L CA 2.130 56.900 54.840 -0.116 0.000 0.745 328 L CB -0.993 40.983 42.059 -0.138 0.000 0.892 328 L HN 0.376 nan 8.230 nan 0.000 0.431 329 A N -0.962 121.862 122.820 0.006 0.000 1.902 329 A HA -0.209 4.110 4.320 -0.000 0.000 0.217 329 A C 2.436 180.025 177.584 0.009 0.000 1.181 329 A CA 1.636 53.690 52.037 0.027 0.000 0.623 329 A CB -0.483 18.526 19.000 0.015 0.000 0.818 329 A HN 0.418 nan 8.150 nan 0.000 0.443 330 R N -0.746 119.741 120.500 -0.023 0.000 2.075 330 R HA -0.052 4.287 4.340 -0.000 0.000 0.232 330 R C 2.527 178.789 176.300 -0.062 0.000 1.126 330 R CA 1.140 57.220 56.100 -0.033 0.000 0.963 330 R CB -0.476 29.802 30.300 -0.036 0.000 0.858 330 R HN 0.518 nan 8.270 nan 0.000 0.435 331 A N 0.837 123.586 122.820 -0.118 0.000 1.902 331 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 331 A C 1.519 178.934 177.584 -0.282 0.000 1.181 331 A CA 1.309 53.208 52.037 -0.229 0.000 0.623 331 A CB -0.490 18.304 19.000 -0.344 0.000 0.818 331 A HN 0.338 nan 8.150 nan 0.000 0.443 332 H N -1.526 117.518 119.070 -0.044 0.000 2.551 332 H HA 0.100 4.656 4.556 -0.000 0.000 0.271 332 H C -0.251 175.057 175.328 -0.033 0.000 0.984 332 H CA 0.517 56.541 56.048 -0.039 0.000 1.164 332 H CB 0.129 29.861 29.762 -0.050 0.000 1.437 332 H HN 0.507 nan 8.280 nan 0.000 0.550 333 D N 1.477 121.905 120.400 0.047 0.000 2.812 333 D HA -0.177 4.463 4.640 -0.000 0.000 0.237 333 D C -0.502 175.815 176.300 0.028 0.000 1.162 333 D CA 0.363 54.378 54.000 0.025 0.000 0.740 333 D CB -0.378 40.431 40.800 0.016 0.000 1.000 333 D HN 0.262 nan 8.370 nan 0.000 0.416 334 R N 1.088 121.603 120.500 0.024 0.000 2.867 334 R HA 0.557 4.897 4.340 -0.000 0.000 0.268 334 R C 0.247 176.539 176.300 -0.014 0.000 1.014 334 R CA -0.825 55.274 56.100 -0.002 0.000 0.946 334 R CB 1.193 31.486 30.300 -0.013 0.000 1.208 334 R HN 0.071 nan 8.270 nan 0.000 0.477 335 K N 1.767 122.141 120.400 -0.043 0.000 2.159 335 K HA 0.562 4.882 4.320 -0.000 0.000 0.266 335 K C -0.379 176.174 176.600 -0.079 0.000 0.975 335 K CA -0.511 55.749 56.287 -0.046 0.000 0.865 335 K CB 1.398 33.867 32.500 -0.052 0.000 1.087 335 K HN 0.297 nan 8.250 nan 0.000 0.446 336 L N 3.010 124.211 121.223 -0.036 0.000 2.370 336 L HA 0.527 4.866 4.340 -0.000 0.000 0.266 336 L C -0.523 176.339 176.870 -0.013 0.000 1.002 336 L CA -0.997 53.820 54.840 -0.038 0.000 0.818 336 L CB 1.961 44.028 42.059 0.013 0.000 1.325 336 L HN 0.473 nan 8.230 nan 0.000 0.418 337 M N 2.971 122.545 119.600 -0.044 0.000 2.088 337 M HA 0.415 4.895 4.480 -0.000 0.000 0.346 337 M C -1.056 175.231 176.300 -0.021 0.000 1.111 337 M CA -0.543 54.780 55.300 0.038 0.000 1.017 337 M CB 1.707 34.315 32.600 0.013 0.000 1.568 337 M HN 0.197 nan 8.290 nan 0.000 0.445 338 V N 4.046 123.939 119.914 -0.035 0.000 2.378 338 V HA 0.429 4.549 4.120 -0.000 0.000 0.288 338 V C -0.054 175.942 176.094 -0.163 0.000 1.016 338 V CA -0.764 61.474 62.300 -0.102 0.000 0.840 338 V CB 1.582 33.342 31.823 -0.106 0.000 0.994 338 V HN 0.765 nan 8.190 nan 0.000 0.431 339 R N 4.345 124.768 120.500 -0.128 0.000 2.202 339 R HA 0.457 4.797 4.340 -0.000 0.000 0.334 339 R C -1.060 175.169 176.300 -0.119 0.000 1.036 339 R CA -0.680 55.344 56.100 -0.126 0.000 0.878 339 R CB 0.958 31.218 30.300 -0.067 0.000 1.067 339 R HN 0.589 nan 8.270 nan 0.000 0.457 340 L N 6.808 127.939 121.223 -0.153 0.000 2.265 340 L HA 0.308 4.648 4.340 -0.000 0.000 0.288 340 L C -0.582 176.384 176.870 0.160 0.000 1.058 340 L CA -0.229 54.564 54.840 -0.078 0.000 0.809 340 L CB 1.437 43.361 42.059 -0.225 0.000 1.179 340 L HN 0.489 nan 8.230 nan 0.000 0.429 341 V N 2.284 122.303 119.914 0.174 0.000 3.126 341 V HA 0.619 4.739 4.120 -0.000 0.000 0.314 341 V C 0.738 176.989 176.094 0.262 0.000 1.138 341 V CA -0.640 61.800 62.300 0.234 0.000 1.034 341 V CB 1.788 33.631 31.823 0.033 0.000 1.075 341 V HN 0.775 nan 8.190 nan 0.000 0.442 342 K N 1.224 121.681 120.400 0.095 0.000 2.020 342 K HA 0.547 4.866 4.320 -0.000 0.000 0.206 342 K C 0.730 177.077 176.600 -0.422 0.000 1.038 342 K CA 1.133 57.421 56.287 0.002 0.000 0.947 342 K CB -0.088 32.367 32.500 -0.075 0.000 0.744 342 K HN 1.338 nan 8.250 nan 0.000 0.442 343 G N -0.857 107.584 108.800 -0.597 0.000 2.282 343 G HA2 0.310 4.270 3.960 -0.000 0.000 0.274 343 G HA3 0.310 4.270 3.960 -0.000 0.000 0.274 343 G C -0.623 173.972 174.900 -0.509 0.000 1.718 343 G CA -0.288 44.122 45.100 -1.151 0.000 0.927 343 G HN 0.160 nan 8.290 nan 0.000 0.733 344 A N 0.684 123.389 122.820 -0.191 0.000 2.348 344 A HA 0.537 4.857 4.320 -0.000 0.000 0.224 344 A C 0.599 178.031 177.584 -0.255 0.000 1.227 344 A CA 0.576 52.463 52.037 -0.251 0.000 0.885 344 A CB -0.006 18.714 19.000 -0.467 0.000 0.933 344 A HN 0.878 nan 8.150 nan 0.000 0.506 345 Y N -3.261 117.228 120.300 0.314 0.000 2.716 345 Y HA 0.183 4.733 4.550 -0.000 0.000 0.260 345 Y C 1.095 177.196 175.900 0.335 0.000 1.141 345 Y CA -1.599 56.673 58.100 0.288 0.000 1.168 345 Y CB -0.557 38.037 38.460 0.223 0.000 1.189 345 Y HN 0.522 nan 8.280 nan 0.000 0.549 346 W N 1.890 123.432 121.300 0.404 0.000 2.333 346 W HA -0.226 4.433 4.660 -0.000 0.000 0.316 346 W C 1.607 178.175 176.519 0.081 0.000 1.215 346 W CA 2.407 59.885 57.345 0.222 0.000 1.278 346 W CB -0.014 29.595 29.460 0.249 0.000 1.154 346 W HN 0.084 nan 8.180 nan 0.000 0.486 347 D N -0.744 119.828 120.400 0.285 0.000 2.149 347 D HA -0.187 4.452 4.640 -0.000 0.000 0.198 347 D C 2.005 178.257 176.300 -0.080 0.000 0.990 347 D CA 2.309 56.331 54.000 0.037 0.000 0.839 347 D CB -0.599 40.308 40.800 0.178 0.000 0.948 347 D HN 0.214 nan 8.370 nan 0.000 0.460 348 T N 1.487 116.065 114.554 0.040 0.000 2.746 348 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 348 T C 1.713 176.392 174.700 -0.035 0.000 1.039 348 T CA 0.875 63.002 62.100 0.045 0.000 1.142 348 T CB -0.003 68.965 68.868 0.166 0.000 0.866 348 T HN 0.140 nan 8.240 nan 0.000 0.444 349 E N 0.966 121.112 120.200 -0.089 0.000 2.110 349 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 349 E C 2.309 178.803 176.600 -0.176 0.000 0.988 349 E CA 0.709 57.024 56.400 -0.141 0.000 0.804 349 E CB -0.310 29.253 29.700 -0.228 0.000 0.745 349 E HN 0.403 nan 8.360 nan 0.000 0.458 350 I N 1.342 121.674 120.570 -0.398 0.000 2.179 350 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 350 I C 2.465 178.522 176.117 -0.099 0.000 1.088 350 I CA 1.186 62.263 61.300 -0.372 0.000 1.357 350 I CB -1.027 36.498 38.000 -0.792 0.000 1.051 350 I HN 0.107 nan 8.210 nan 0.000 0.409 351 K N 0.979 121.303 120.400 -0.126 0.000 2.026 351 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 351 K C 2.353 178.932 176.600 -0.035 0.000 1.048 351 K CA 1.239 57.490 56.287 -0.060 0.000 0.929 351 K CB 0.024 32.497 32.500 -0.045 0.000 0.713 351 K HN 0.149 nan 8.250 nan 0.000 0.439 352 R N -0.006 120.474 120.500 -0.034 0.000 2.080 352 R HA -0.126 4.213 4.340 -0.000 0.000 0.236 352 R C 2.435 178.709 176.300 -0.044 0.000 1.137 352 R CA 1.451 57.531 56.100 -0.034 0.000 0.943 352 R CB -0.460 29.828 30.300 -0.021 0.000 0.846 352 R HN 0.273 nan 8.270 nan 0.000 0.431 353 A N 1.109 123.916 122.820 -0.022 0.000 1.908 353 A HA -0.253 4.066 4.320 -0.000 0.000 0.218 353 A C 2.077 179.584 177.584 -0.128 0.000 1.181 353 A CA 1.455 53.443 52.037 -0.081 0.000 0.627 353 A CB -0.451 18.480 19.000 -0.116 0.000 0.818 353 A HN 0.378 nan 8.150 nan 0.000 0.445 354 Q N -0.687 119.076 119.800 -0.062 0.000 2.016 354 Q HA -0.197 4.143 4.340 -0.000 0.000 0.200 354 Q C 2.063 178.001 176.000 -0.102 0.000 0.978 354 Q CA 1.626 57.375 55.803 -0.091 0.000 0.833 354 Q CB -0.246 28.466 28.738 -0.044 0.000 0.895 354 Q HN 0.773 nan 8.270 nan 0.000 0.427 355 E N 0.556 120.712 120.200 -0.072 0.000 2.085 355 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 355 E C 1.786 178.335 176.600 -0.084 0.000 0.994 355 E CA 0.918 57.279 56.400 -0.065 0.000 0.801 355 E CB -0.035 29.633 29.700 -0.053 0.000 0.743 355 E HN 0.216 nan 8.360 nan 0.000 0.453 356 R N -0.414 120.026 120.500 -0.101 0.000 2.310 356 R HA 0.085 4.425 4.340 -0.000 0.000 0.202 356 R C 0.860 177.090 176.300 -0.117 0.000 0.933 356 R CA 0.412 56.439 56.100 -0.121 0.000 1.054 356 R CB 0.459 30.676 30.300 -0.139 0.000 0.985 356 R HN 0.179 nan 8.270 nan 0.000 0.489 357 G N 2.077 110.806 108.800 -0.119 0.000 2.323 357 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.292 357 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.292 357 G C 0.130 174.953 174.900 -0.127 0.000 1.040 357 G CA 0.056 45.085 45.100 -0.119 0.000 0.942 357 G HN 0.174 nan 8.290 nan 0.000 0.506 358 L N -0.503 120.625 121.223 -0.158 0.000 2.476 358 L HA 0.290 4.630 4.340 -0.000 0.000 0.255 358 L C 1.551 178.319 176.870 -0.171 0.000 1.218 358 L CA 0.039 54.786 54.840 -0.155 0.000 0.819 358 L CB 0.311 42.279 42.059 -0.153 0.000 1.119 358 L HN 0.363 nan 8.230 nan 0.000 0.485 359 D N -0.796 119.527 120.400 -0.129 0.000 2.325 359 D HA 0.274 4.914 4.640 -0.000 0.000 0.234 359 D C 0.352 176.566 176.300 -0.144 0.000 1.122 359 D CA 0.196 54.128 54.000 -0.114 0.000 0.850 359 D CB 0.429 41.191 40.800 -0.063 0.000 0.921 359 D HN 0.640 nan 8.370 nan 0.000 0.513 360 G N -1.327 107.325 108.800 -0.246 0.000 2.341 360 G HA2 0.271 4.231 3.960 -0.000 0.000 0.293 360 G HA3 0.271 4.231 3.960 -0.000 0.000 0.293 360 G C -1.942 172.704 174.900 -0.423 0.000 1.298 360 G CA -1.208 43.700 45.100 -0.318 0.000 0.868 360 G HN 0.046 nan 8.290 nan 0.000 0.540 361 Y N 0.640 120.904 120.300 -0.060 0.000 2.342 361 Y HA 0.473 5.023 4.550 -0.000 0.000 0.334 361 Y C -1.148 174.636 175.900 -0.194 0.000 1.067 361 Y CA -1.813 56.215 58.100 -0.121 0.000 1.128 361 Y CB 2.452 40.821 38.460 -0.152 0.000 1.200 361 Y HN 0.330 nan 8.280 nan 0.000 0.464 362 P HA -0.061 nan 4.420 nan 0.000 0.236 362 P C 0.008 177.067 177.300 -0.401 0.000 1.177 362 P CA 0.765 63.616 63.100 -0.415 0.000 0.773 362 P CB 0.281 31.555 31.700 -0.711 0.000 0.878 363 V N -4.058 115.657 119.914 -0.332 0.000 2.994 363 V HA 0.529 4.649 4.120 -0.000 0.000 0.318 363 V C 0.169 176.127 176.094 -0.227 0.000 1.085 363 V CA -1.471 60.601 62.300 -0.379 0.000 0.998 363 V CB 0.501 32.047 31.823 -0.460 0.000 1.063 363 V HN -0.268 nan 8.190 nan 0.000 0.447 364 F N 1.107 121.125 119.950 0.113 0.000 2.440 364 F HA 0.469 4.996 4.527 -0.000 0.000 0.323 364 F C 1.811 177.798 175.800 0.311 0.000 1.192 364 F CA 0.404 58.508 58.000 0.174 0.000 1.252 364 F CB 0.957 40.052 39.000 0.158 0.000 1.214 364 F HN 0.775 nan 8.300 nan 0.000 0.578 365 T N -2.621 112.206 114.554 0.456 0.000 3.040 365 T HA 0.318 4.668 4.350 -0.000 0.000 0.266 365 T C 0.476 175.404 174.700 0.379 0.000 1.005 365 T CA -0.381 61.997 62.100 0.463 0.000 0.906 365 T CB -0.006 69.001 68.868 0.231 0.000 1.082 365 T HN 0.394 nan 8.240 nan 0.000 0.531 366 R N 1.300 121.964 120.500 0.274 0.000 2.445 366 R HA 0.445 4.785 4.340 -0.000 0.000 0.308 366 R C 0.974 177.300 176.300 0.043 0.000 0.961 366 R CA -0.838 55.350 56.100 0.146 0.000 0.862 366 R CB 1.448 31.794 30.300 0.077 0.000 1.144 366 R HN -0.093 nan 8.270 nan 0.000 0.447 367 K N 2.652 123.026 120.400 -0.043 0.000 2.063 367 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 367 K C 1.514 178.077 176.600 -0.061 0.000 1.048 367 K CA 1.973 58.203 56.287 -0.095 0.000 0.928 367 K CB -0.065 32.359 32.500 -0.127 0.000 0.713 367 K HN 0.719 nan 8.250 nan 0.000 0.442 368 A N 0.959 123.746 122.820 -0.055 0.000 2.019 368 A HA -0.143 4.176 4.320 -0.000 0.000 0.219 368 A C 2.116 179.636 177.584 -0.106 0.000 1.164 368 A CA 1.309 53.306 52.037 -0.065 0.000 0.644 368 A CB -0.312 18.657 19.000 -0.052 0.000 0.805 368 A HN 0.256 nan 8.150 nan 0.000 0.449 369 M N -0.716 118.803 119.600 -0.136 0.000 2.175 369 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 369 M C 2.133 178.146 176.300 -0.477 0.000 1.063 369 M CA 1.776 56.873 55.300 -0.338 0.000 1.119 369 M CB -1.692 30.698 32.600 -0.350 0.000 1.377 369 M HN 0.424 nan 8.290 nan 0.000 0.415 370 T N 0.722 115.168 114.554 -0.179 0.000 2.746 370 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 370 T C 1.362 176.068 174.700 0.010 0.000 1.039 370 T CA 1.408 63.518 62.100 0.015 0.000 1.142 370 T CB -0.217 68.760 68.868 0.181 0.000 0.866 370 T HN 0.284 nan 8.240 nan 0.000 0.444 371 D N 1.084 121.462 120.400 -0.038 0.000 2.117 371 D HA -0.018 4.622 4.640 -0.000 0.000 0.197 371 D C 2.183 178.478 176.300 -0.008 0.000 0.987 371 D CA 0.713 54.695 54.000 -0.030 0.000 0.829 371 D CB -0.415 40.345 40.800 -0.067 0.000 0.961 371 D HN 0.296 nan 8.370 nan 0.000 0.460 372 L N 0.492 121.672 121.223 -0.072 0.000 1.989 372 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 372 L C 2.218 179.057 176.870 -0.052 0.000 1.071 372 L CA 1.131 55.926 54.840 -0.076 0.000 0.749 372 L CB -0.396 41.586 42.059 -0.128 0.000 0.890 372 L HN 0.017 nan 8.230 nan 0.000 0.431 373 N N -0.909 117.730 118.700 -0.101 0.000 2.244 373 N HA -0.241 4.499 4.740 -0.000 0.000 0.183 373 N C 1.729 177.287 175.510 0.080 0.000 1.016 373 N CA 1.028 54.068 53.050 -0.016 0.000 0.866 373 N CB -0.177 38.308 38.487 -0.005 0.000 0.980 373 N HN 0.294 nan 8.380 nan 0.000 0.430 374 Y N 0.165 120.465 120.300 0.000 0.000 2.114 374 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 374 Y C 2.138 178.032 175.900 -0.010 0.000 1.143 374 Y CA 1.495 59.607 58.100 0.021 0.000 1.135 374 Y CB -0.384 38.079 38.460 0.005 0.000 0.980 374 Y HN -0.106 nan 8.280 nan 0.000 0.499 375 V N 0.327 120.334 119.914 0.155 0.000 2.343 375 V HA -0.351 3.769 4.120 -0.000 0.000 0.247 375 V C 2.617 178.678 176.094 -0.054 0.000 1.051 375 V CA 1.773 64.088 62.300 0.025 0.000 1.036 375 V CB -1.524 30.303 31.823 0.007 0.000 0.654 375 V HN 0.583 nan 8.190 nan 0.000 0.451 376 A N -1.112 121.691 122.820 -0.029 0.000 1.908 376 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 376 A C 2.332 179.892 177.584 -0.040 0.000 1.181 376 A CA 2.317 54.336 52.037 -0.029 0.000 0.627 376 A CB -1.128 17.869 19.000 -0.005 0.000 0.818 376 A HN 0.596 nan 8.150 nan 0.000 0.445 377 C N -1.201 118.065 119.300 -0.056 0.000 2.435 377 C HA 0.150 4.610 4.460 -0.000 0.000 0.279 377 C C 3.283 178.223 174.990 -0.084 0.000 1.321 377 C CA 0.553 59.530 59.018 -0.068 0.000 1.752 377 C CB -1.267 26.419 27.740 -0.090 0.000 1.959 377 C HN 0.702 nan 8.230 nan 0.000 0.500 378 A N -0.127 122.608 122.820 -0.141 0.000 1.930 378 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 378 A C 2.318 179.846 177.584 -0.094 0.000 1.175 378 A CA 2.060 54.054 52.037 -0.072 0.000 0.627 378 A CB -0.900 17.855 19.000 -0.409 0.000 0.815 378 A HN 0.518 nan 8.150 nan 0.000 0.443 379 S N -0.367 115.262 115.700 -0.119 0.000 2.356 379 S HA -0.225 4.244 4.470 -0.000 0.000 0.223 379 S C 2.135 176.701 174.600 -0.057 0.000 1.032 379 S CA 1.969 60.109 58.200 -0.101 0.000 1.005 379 S CB -0.335 62.818 63.200 -0.080 0.000 0.867 379 S HN 0.599 nan 8.310 nan 0.000 0.449 380 K N 0.229 120.607 120.400 -0.037 0.000 2.057 380 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 380 K C 2.196 178.786 176.600 -0.017 0.000 1.049 380 K CA 1.538 57.813 56.287 -0.018 0.000 0.931 380 K CB -0.300 32.196 32.500 -0.006 0.000 0.714 380 K HN 0.420 nan 8.250 nan 0.000 0.440 381 L N 0.863 122.078 121.223 -0.013 0.000 2.056 381 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 381 L C 2.363 179.219 176.870 -0.022 0.000 1.078 381 L CA 0.883 55.710 54.840 -0.022 0.000 0.749 381 L CB -0.280 41.754 42.059 -0.042 0.000 0.901 381 L HN 0.226 nan 8.230 nan 0.000 0.433 382 L N -0.463 120.756 121.223 -0.008 0.000 2.131 382 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 382 L C 2.604 179.448 176.870 -0.043 0.000 1.092 382 L CA 1.078 55.886 54.840 -0.053 0.000 0.759 382 L CB -0.570 41.407 42.059 -0.136 0.000 0.903 382 L HN 0.247 nan 8.230 nan 0.000 0.435 383 A N -0.783 122.017 122.820 -0.034 0.000 2.206 383 A HA 0.049 4.369 4.320 -0.000 0.000 0.211 383 A C 1.961 179.538 177.584 -0.011 0.000 1.158 383 A CA 0.571 52.595 52.037 -0.021 0.000 0.761 383 A CB -0.298 18.690 19.000 -0.019 0.000 0.801 383 A HN 0.396 nan 8.150 nan 0.000 0.473 384 L N -0.519 120.696 121.223 -0.013 0.000 2.592 384 L HA 0.126 4.466 4.340 -0.000 0.000 0.227 384 L C 0.690 177.560 176.870 0.000 0.000 1.127 384 L CA -0.247 54.590 54.840 -0.007 0.000 0.884 384 L CB -0.133 41.919 42.059 -0.011 0.000 1.065 384 L HN 0.283 nan 8.230 nan 0.000 0.457 385 R N 0.865 121.366 120.500 0.002 0.000 2.694 385 R HA 0.084 4.423 4.340 -0.000 0.000 0.268 385 R C -1.399 174.917 176.300 0.027 0.000 1.061 385 R CA -1.053 55.061 56.100 0.023 0.000 1.133 385 R CB 0.142 30.460 30.300 0.031 0.000 1.020 385 R HN -0.106 nan 8.270 nan 0.000 0.475 386 P HA 0.110 nan 4.420 nan 0.000 0.267 386 P C 0.630 177.965 177.300 0.058 0.000 1.289 386 P CA 0.135 63.272 63.100 0.062 0.000 0.866 386 P CB 0.253 31.989 31.700 0.060 0.000 1.309 387 R N 0.386 120.906 120.500 0.035 0.000 2.081 387 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 387 R C 0.455 176.775 176.300 0.033 0.000 1.131 387 R CA 1.078 57.193 56.100 0.025 0.000 0.960 387 R CB -0.119 30.189 30.300 0.013 0.000 0.856 387 R HN 0.041 nan 8.270 nan 0.000 0.436 388 I N 1.493 122.082 120.570 0.032 0.000 2.336 388 I HA 0.127 4.297 4.170 -0.000 0.000 0.292 388 I C -0.683 175.472 176.117 0.063 0.000 0.991 388 I CA -0.664 60.653 61.300 0.028 0.000 1.227 388 I CB 1.034 39.026 38.000 -0.013 0.000 1.366 388 I HN 0.014 nan 8.210 nan 0.000 0.466 389 F N 9.394 129.303 119.950 -0.070 0.000 2.334 389 F HA 0.501 5.027 4.527 -0.000 0.000 0.367 389 F C -2.305 173.416 175.800 -0.131 0.000 1.115 389 F CA -2.347 55.612 58.000 -0.068 0.000 1.116 389 F CB 0.997 39.957 39.000 -0.067 0.000 1.230 389 F HN 0.247 nan 8.300 nan 0.000 0.484 390 P HA 0.179 nan 4.420 nan 0.000 0.280 390 P C -1.666 175.111 177.300 -0.871 0.000 1.244 390 P CA -0.178 62.493 63.100 -0.715 0.000 0.784 390 P CB 0.840 32.068 31.700 -0.787 0.000 0.913 391 Q N 2.329 121.705 119.800 -0.708 0.000 2.363 391 Q HA 0.419 4.759 4.340 -0.000 0.000 0.265 391 Q C -1.125 174.620 176.000 -0.426 0.000 1.032 391 Q CA -0.335 55.223 55.803 -0.408 0.000 0.746 391 Q CB 0.899 29.599 28.738 -0.064 0.000 1.237 391 Q HN 0.368 nan 8.270 nan 0.000 0.475 392 F N 1.659 121.613 119.950 0.006 0.000 2.368 392 F HA 0.439 4.965 4.527 -0.000 0.000 0.362 392 F C 0.539 176.503 175.800 0.274 0.000 1.137 392 F CA -0.841 57.247 58.000 0.147 0.000 1.161 392 F CB 0.796 39.871 39.000 0.125 0.000 1.265 392 F HN 0.478 nan 8.300 nan 0.000 0.530 393 A N 2.992 126.005 122.820 0.322 0.000 2.302 393 A HA 0.640 4.959 4.320 -0.000 0.000 0.295 393 A C 0.220 177.846 177.584 0.070 0.000 1.235 393 A CA -0.111 52.029 52.037 0.171 0.000 0.876 393 A CB 0.457 19.494 19.000 0.062 0.000 1.133 393 A HN 0.666 nan 8.150 nan 0.000 0.533 394 T N 1.338 115.867 114.554 -0.042 0.000 2.977 394 T HA 0.407 4.757 4.350 -0.000 0.000 0.345 394 T C -0.575 173.965 174.700 -0.266 0.000 1.562 394 T CA -0.492 61.467 62.100 -0.235 0.000 1.090 394 T CB 0.560 69.279 68.868 -0.249 0.000 1.383 394 T HN 0.673 nan 8.240 nan 0.000 0.484 395 H N 1.834 120.895 119.070 -0.015 0.000 2.528 395 H HA 0.396 4.952 4.556 -0.000 0.000 0.282 395 H C 0.564 175.756 175.328 -0.226 0.000 1.097 395 H CA -0.548 55.486 56.048 -0.024 0.000 1.121 395 H CB 0.359 30.155 29.762 0.056 0.000 1.590 395 H HN 0.294 nan 8.280 nan 0.000 0.553 396 N N 1.359 119.814 118.700 -0.408 0.000 2.414 396 N HA 0.121 4.861 4.740 -0.000 0.000 0.256 396 N C 0.979 175.900 175.510 -0.981 0.000 1.029 396 N CA 0.111 52.526 53.050 -1.060 0.000 0.948 396 N CB 1.297 39.316 38.487 -0.781 0.000 1.102 396 N HN 0.327 nan 8.380 nan 0.000 0.496 397 A N 4.201 126.297 122.820 -1.208 0.000 1.902 397 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 397 A C 1.904 179.231 177.584 -0.429 0.000 1.181 397 A CA 0.995 52.703 52.037 -0.547 0.000 0.623 397 A CB -0.451 18.459 19.000 -0.149 0.000 0.818 397 A HN 0.664 nan 8.150 nan 0.000 0.443 398 L N -0.185 120.769 121.223 -0.448 0.000 2.056 398 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 398 L C 2.487 179.204 176.870 -0.255 0.000 1.078 398 L CA 2.770 57.453 54.840 -0.263 0.000 0.749 398 L CB -0.971 40.980 42.059 -0.178 0.000 0.901 398 L HN 0.387 nan 8.230 nan 0.000 0.433 399 T N -1.235 113.120 114.554 -0.332 0.000 2.708 399 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 399 T C 1.978 176.577 174.700 -0.167 0.000 1.037 399 T CA 1.616 63.569 62.100 -0.245 0.000 1.146 399 T CB -0.501 68.156 68.868 -0.352 0.000 0.865 399 T HN 0.190 nan 8.240 nan 0.000 0.435 400 V N 1.875 121.637 119.914 -0.253 0.000 2.255 400 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 400 V C 2.958 178.936 176.094 -0.193 0.000 1.051 400 V CA 1.861 63.996 62.300 -0.275 0.000 1.018 400 V CB -1.311 30.151 31.823 -0.602 0.000 0.641 400 V HN 0.553 nan 8.190 nan 0.000 0.445 401 A N -0.443 122.248 122.820 -0.215 0.000 1.940 401 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 401 A C 2.371 179.895 177.584 -0.100 0.000 1.176 401 A CA 2.656 54.606 52.037 -0.145 0.000 0.631 401 A CB -0.986 17.934 19.000 -0.134 0.000 0.814 401 A HN 0.540 nan 8.150 nan 0.000 0.446 402 T N -0.692 113.798 114.554 -0.107 0.000 2.821 402 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 402 T C 1.834 176.461 174.700 -0.121 0.000 1.046 402 T CA 1.444 63.485 62.100 -0.099 0.000 1.139 402 T CB -0.282 68.529 68.868 -0.094 0.000 0.871 402 T HN 0.160 nan 8.240 nan 0.000 0.454 403 V N 1.502 121.341 119.914 -0.127 0.000 2.453 403 V HA -0.045 4.075 4.120 -0.000 0.000 0.247 403 V C 2.338 178.292 176.094 -0.233 0.000 1.048 403 V CA 0.976 63.111 62.300 -0.274 0.000 1.049 403 V CB -0.583 30.992 31.823 -0.413 0.000 0.672 403 V HN 0.321 nan 8.190 nan 0.000 0.457 404 L N 0.843 122.071 121.223 0.008 0.000 2.012 404 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 404 L C 2.459 179.294 176.870 -0.058 0.000 1.073 404 L CA 2.573 57.450 54.840 0.062 0.000 0.748 404 L CB -0.704 41.386 42.059 0.051 0.000 0.891 404 L HN 0.434 nan 8.230 nan 0.000 0.431 405 E N -0.204 119.949 120.200 -0.078 0.000 2.038 405 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 405 E C 2.088 178.632 176.600 -0.094 0.000 1.000 405 E CA 2.308 58.665 56.400 -0.072 0.000 0.803 405 E CB -0.439 29.221 29.700 -0.066 0.000 0.750 405 E HN 0.561 nan 8.360 nan 0.000 0.448 406 M N -0.120 119.397 119.600 -0.139 0.000 2.202 406 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 406 M C 2.282 178.477 176.300 -0.175 0.000 1.063 406 M CA 1.456 56.662 55.300 -0.157 0.000 1.097 406 M CB -0.327 32.154 32.600 -0.197 0.000 1.382 406 M HN 0.283 nan 8.290 nan 0.000 0.413 407 A N -0.078 122.600 122.820 -0.236 0.000 1.972 407 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 407 A C 1.398 178.943 177.584 -0.065 0.000 1.169 407 A CA 1.946 53.840 52.037 -0.238 0.000 0.635 407 A CB -0.400 18.378 19.000 -0.370 0.000 0.810 407 A HN 0.653 nan 8.150 nan 0.000 0.446 408 E N -2.693 117.486 120.200 -0.035 0.000 4.976 408 E HA -0.258 4.092 4.350 -0.000 0.000 0.222 408 E C 0.923 177.551 176.600 0.047 0.000 0.944 408 E CA 1.122 57.524 56.400 0.003 0.000 1.778 408 E CB -1.782 27.915 29.700 -0.005 0.000 1.790 408 E HN 0.751 nan 8.360 nan 0.000 0.404 409 G N -0.909 107.944 108.800 0.088 0.000 3.119 409 G HA2 0.512 4.472 3.960 -0.000 0.000 0.206 409 G HA3 0.512 4.472 3.960 -0.000 0.000 0.206 409 G C 0.307 175.343 174.900 0.227 0.000 1.313 409 G CA 0.289 45.467 45.100 0.130 0.000 1.010 409 G HN 0.291 nan 8.290 nan 0.000 0.578 410 S N -1.951 113.863 115.700 0.190 0.000 2.817 410 S HA 0.288 4.757 4.470 -0.000 0.000 0.262 410 S C 0.606 175.132 174.600 -0.123 0.000 1.051 410 S CA 0.735 58.999 58.200 0.107 0.000 1.185 410 S CB -0.155 63.082 63.200 0.063 0.000 1.152 410 S HN 1.174 nan 8.310 nan 0.000 0.653 411 S N -0.150 115.559 115.700 0.015 0.000 2.664 411 S HA 0.777 5.247 4.470 -0.000 0.000 0.304 411 S C 1.013 175.664 174.600 0.085 0.000 1.099 411 S CA -0.085 58.099 58.200 -0.025 0.000 1.003 411 S CB 0.991 64.208 63.200 0.030 0.000 1.092 411 S HN 1.542 nan 8.310 nan 0.000 0.525 412 G N 0.085 108.949 108.800 0.106 0.000 2.157 412 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.248 412 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.248 412 G C -0.232 174.575 174.900 -0.155 0.000 0.979 412 G CA 0.441 45.643 45.100 0.171 0.000 0.650 412 G HN 1.765 nan 8.290 nan 0.000 0.529 413 F N -0.928 118.714 119.950 -0.513 0.000 2.789 413 F HA 0.863 5.390 4.527 -0.000 0.000 0.319 413 F C -0.691 174.769 175.800 -0.566 0.000 1.168 413 F CA -0.743 56.657 58.000 -0.999 0.000 0.934 413 F CB 0.965 39.685 39.000 -0.467 0.000 1.375 413 F HN 0.422 nan 8.300 nan 0.000 0.480 414 E N 0.460 120.419 120.200 -0.402 0.000 2.430 414 E HA 0.524 4.874 4.350 -0.000 0.000 0.279 414 E C -2.106 174.471 176.600 -0.038 0.000 1.003 414 E CA -0.855 55.445 56.400 -0.167 0.000 0.801 414 E CB 2.491 32.248 29.700 0.095 0.000 1.313 414 E HN 0.529 nan 8.360 nan 0.000 0.459 415 F N 0.425 120.537 119.950 0.271 0.000 2.411 415 F HA 0.448 4.974 4.527 -0.000 0.000 0.324 415 F C 0.563 176.420 175.800 0.096 0.000 1.086 415 F CA -0.363 57.799 58.000 0.270 0.000 1.028 415 F CB 1.588 40.782 39.000 0.323 0.000 1.284 415 F HN 0.353 nan 8.300 nan 0.000 0.501 416 Q N 0.512 120.466 119.800 0.255 0.000 2.379 416 Q HA 0.556 4.896 4.340 -0.000 0.000 0.278 416 Q C -1.242 174.793 176.000 0.059 0.000 1.068 416 Q CA -1.229 54.671 55.803 0.162 0.000 0.816 416 Q CB 3.738 32.634 28.738 0.264 0.000 1.387 416 Q HN 0.692 nan 8.270 nan 0.000 0.413 417 R N 0.502 121.090 120.500 0.147 0.000 2.799 417 R HA 0.666 5.006 4.340 -0.000 0.000 0.270 417 R C -1.763 174.795 176.300 0.429 0.000 1.010 417 R CA -0.963 55.309 56.100 0.286 0.000 0.916 417 R CB 0.958 31.450 30.300 0.320 0.000 1.228 417 R HN 0.431 nan 8.270 nan 0.000 0.469 418 L N 1.814 123.371 121.223 0.557 0.000 2.289 418 L HA 0.316 4.656 4.340 -0.000 0.000 0.285 418 L C -0.376 176.615 176.870 0.200 0.000 1.049 418 L CA -0.394 54.644 54.840 0.331 0.000 0.804 418 L CB 0.757 42.958 42.059 0.236 0.000 1.195 418 L HN 0.718 nan 8.230 nan 0.000 0.428 419 H N 4.182 123.309 119.070 0.095 0.000 3.140 419 H HA 0.336 4.892 4.556 -0.000 0.000 0.316 419 H C 1.158 176.336 175.328 -0.250 0.000 0.986 419 H CA 1.200 57.249 56.048 0.002 0.000 1.397 419 H CB 0.436 30.192 29.762 -0.009 0.000 1.377 419 H HN 0.843 nan 8.280 nan 0.000 0.585 420 G N 3.433 111.725 108.800 -0.847 0.000 2.175 420 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.244 420 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.244 420 G C -0.007 174.531 174.900 -0.603 0.000 0.982 420 G CA 0.207 44.560 45.100 -1.244 0.000 0.641 420 G HN 0.661 nan 8.290 nan 0.000 0.527 421 M N -0.892 118.466 119.600 -0.404 0.000 2.484 421 M HA 0.539 5.019 4.480 -0.000 0.000 0.289 421 M C 1.039 177.195 176.300 -0.239 0.000 1.206 421 M CA 0.085 55.118 55.300 -0.446 0.000 0.892 421 M CB 2.344 34.407 32.600 -0.895 0.000 1.712 421 M HN 1.258 nan 8.290 nan 0.000 0.462 422 G N 1.097 109.826 108.800 -0.118 0.000 2.203 422 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.263 422 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.263 422 G C 0.528 175.518 174.900 0.150 0.000 1.012 422 G CA 1.124 46.301 45.100 0.129 0.000 0.749 422 G HN 0.927 nan 8.290 nan 0.000 0.512 423 E N -0.031 120.207 120.200 0.064 0.000 2.017 423 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 423 E C 2.865 179.500 176.600 0.059 0.000 0.997 423 E CA 1.693 58.148 56.400 0.091 0.000 0.804 423 E CB -0.396 29.344 29.700 0.066 0.000 0.757 423 E HN 0.846 nan 8.360 nan 0.000 0.448 424 A N 1.472 124.306 122.820 0.023 0.000 1.933 424 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 424 A C 2.256 179.812 177.584 -0.046 0.000 1.175 424 A CA 1.286 53.325 52.037 0.004 0.000 0.628 424 A CB -0.812 18.191 19.000 0.004 0.000 0.814 424 A HN 0.475 nan 8.150 nan 0.000 0.444 425 L N -1.752 119.414 121.223 -0.094 0.000 1.970 425 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 425 L C 2.504 179.162 176.870 -0.353 0.000 1.071 425 L CA 2.140 56.833 54.840 -0.245 0.000 0.751 425 L CB -0.411 41.437 42.059 -0.353 0.000 0.889 425 L HN 0.519 nan 8.230 nan 0.000 0.432 426 Y N 0.049 120.185 120.300 -0.273 0.000 2.373 426 Y HA -0.165 4.385 4.550 -0.000 0.000 0.293 426 Y C 2.567 178.257 175.900 -0.349 0.000 1.129 426 Y CA 1.133 58.910 58.100 -0.539 0.000 1.226 426 Y CB -0.036 37.727 38.460 -1.161 0.000 1.000 426 Y HN 0.322 nan 8.280 nan 0.000 0.549 427 E N -0.167 120.027 120.200 -0.011 0.000 2.077 427 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 427 E C 2.035 178.664 176.600 0.049 0.000 0.989 427 E CA 1.294 57.747 56.400 0.089 0.000 0.800 427 E CB -0.087 29.668 29.700 0.092 0.000 0.746 427 E HN 0.331 nan 8.360 nan 0.000 0.452 428 Q N 1.007 120.800 119.800 -0.010 0.000 2.084 428 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 428 Q C 2.065 178.057 176.000 -0.013 0.000 0.978 428 Q CA 1.011 56.801 55.803 -0.023 0.000 0.844 428 Q CB -0.324 28.383 28.738 -0.052 0.000 0.898 428 Q HN 0.215 nan 8.270 nan 0.000 0.426 429 L N 0.111 121.314 121.223 -0.033 0.000 2.081 429 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 429 L C 2.061 179.029 176.870 0.162 0.000 1.080 429 L CA 2.265 57.136 54.840 0.051 0.000 0.754 429 L CB -0.997 41.016 42.059 -0.077 0.000 0.893 429 L HN 0.285 nan 8.230 nan 0.000 0.433 430 A N -0.936 121.980 122.820 0.159 0.000 1.898 430 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 430 A C 2.315 179.965 177.584 0.110 0.000 1.181 430 A CA 1.750 53.910 52.037 0.206 0.000 0.620 430 A CB -0.460 18.713 19.000 0.288 0.000 0.819 430 A HN 0.471 nan 8.150 nan 0.000 0.442 431 K N -0.346 120.090 120.400 0.060 0.000 2.063 431 K HA -0.166 4.153 4.320 -0.000 0.000 0.208 431 K C 1.157 177.724 176.600 -0.055 0.000 1.048 431 K CA 1.633 57.925 56.287 0.009 0.000 0.928 431 K CB -0.216 32.282 32.500 -0.002 0.000 0.713 431 K HN 0.382 nan 8.250 nan 0.000 0.442 432 D N -0.795 119.530 120.400 -0.126 0.000 2.323 432 D HA -0.018 4.622 4.640 -0.000 0.000 0.209 432 D C 0.034 175.935 176.300 -0.665 0.000 0.973 432 D CA 0.873 54.644 54.000 -0.381 0.000 0.874 432 D CB 0.240 40.766 40.800 -0.457 0.000 0.930 432 D HN 0.272 nan 8.370 nan 0.000 0.521 433 H N -0.646 118.454 119.070 0.051 0.000 2.974 433 H HA 0.426 4.981 4.556 -0.000 0.000 0.285 433 H C 0.358 175.732 175.328 0.076 0.000 1.227 433 H CA -0.484 55.604 56.048 0.067 0.000 1.569 433 H CB 1.262 31.078 29.762 0.091 0.000 1.648 433 H HN -0.093 nan 8.280 nan 0.000 0.521 434 A N 1.374 124.268 122.820 0.123 0.000 2.121 434 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 434 A C 1.218 178.852 177.584 0.084 0.000 1.154 434 A CA 1.205 53.295 52.037 0.088 0.000 0.679 434 A CB 0.042 19.071 19.000 0.049 0.000 0.795 434 A HN 0.383 nan 8.150 nan 0.000 0.458 435 D N -0.576 119.883 120.400 0.099 0.000 2.349 435 D HA 0.144 4.784 4.640 -0.000 0.000 0.214 435 D C 0.190 176.516 176.300 0.045 0.000 1.063 435 D CA -0.030 54.005 54.000 0.057 0.000 0.847 435 D CB 0.174 41.004 40.800 0.050 0.000 0.933 435 D HN 0.216 nan 8.370 nan 0.000 0.513 436 I N 1.630 122.269 120.570 0.115 0.000 2.529 436 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 436 I C 0.657 176.860 176.117 0.143 0.000 1.082 436 I CA -0.824 60.556 61.300 0.132 0.000 1.406 436 I CB 0.619 38.792 38.000 0.288 0.000 1.405 436 I HN -0.180 nan 8.210 nan 0.000 0.548 437 A N 7.614 130.477 122.820 0.071 0.000 2.324 437 A HA 0.757 5.077 4.320 -0.000 0.000 0.330 437 A C -1.148 176.572 177.584 0.226 0.000 1.165 437 A CA -0.412 51.660 52.037 0.057 0.000 0.813 437 A CB 1.033 20.011 19.000 -0.037 0.000 1.197 437 A HN 0.654 nan 8.150 nan 0.000 0.484 438 Y N -0.240 120.085 120.300 0.041 0.000 2.470 438 Y HA 0.742 5.292 4.550 -0.000 0.000 0.341 438 Y C -0.555 175.301 175.900 -0.074 0.000 1.021 438 Y CA -1.086 57.006 58.100 -0.014 0.000 1.025 438 Y CB 1.267 39.618 38.460 -0.181 0.000 1.266 438 Y HN 0.748 nan 8.280 nan 0.000 0.448 439 R N 2.094 122.614 120.500 0.032 0.000 2.312 439 R HA 0.605 4.945 4.340 -0.000 0.000 0.311 439 R C -1.124 175.182 176.300 0.010 0.000 1.004 439 R CA -0.365 55.687 56.100 -0.080 0.000 0.902 439 R CB 1.143 31.386 30.300 -0.094 0.000 1.073 439 R HN 0.932 nan 8.270 nan 0.000 0.457 440 T N 4.514 119.042 114.554 -0.044 0.000 2.771 440 T HA 0.298 4.648 4.350 -0.000 0.000 0.281 440 T C -1.121 173.653 174.700 0.124 0.000 0.982 440 T CA -0.234 61.954 62.100 0.147 0.000 0.978 440 T CB 0.423 69.427 68.868 0.228 0.000 0.930 440 T HN 0.370 nan 8.240 nan 0.000 0.447 441 Y N 1.437 121.873 120.300 0.226 0.000 2.361 441 Y HA 0.591 5.141 4.550 -0.000 0.000 0.332 441 Y C 0.449 176.456 175.900 0.178 0.000 1.101 441 Y CA -0.909 57.314 58.100 0.205 0.000 1.137 441 Y CB 1.296 39.847 38.460 0.152 0.000 1.207 441 Y HN 0.737 nan 8.280 nan 0.000 0.463 442 A N 4.888 127.857 122.820 0.249 0.000 2.330 442 A HA 0.692 5.012 4.320 -0.000 0.000 0.327 442 A C -2.901 174.649 177.584 -0.056 0.000 1.155 442 A CA -2.184 49.855 52.037 0.003 0.000 0.803 442 A CB 0.688 19.530 19.000 -0.263 0.000 1.208 442 A HN 0.442 nan 8.150 nan 0.000 0.477 443 P HA 0.331 nan 4.420 nan 0.000 0.271 443 P C -0.888 176.265 177.300 -0.244 0.000 1.226 443 P CA 0.111 63.064 63.100 -0.244 0.000 0.765 443 P CB 0.944 32.408 31.700 -0.393 0.000 0.835 444 V N 3.815 123.571 119.914 -0.262 0.000 2.577 444 V HA 0.890 5.010 4.120 -0.000 0.000 0.303 444 V C 0.499 176.470 176.094 -0.205 0.000 1.042 444 V CA -0.048 62.069 62.300 -0.305 0.000 0.872 444 V CB 1.565 33.043 31.823 -0.576 0.000 0.998 444 V HN 0.875 nan 8.190 nan 0.000 0.423 445 G N 3.052 111.747 108.800 -0.176 0.000 2.335 445 G HA2 0.438 4.398 3.960 -0.000 0.000 0.291 445 G HA3 0.438 4.398 3.960 -0.000 0.000 0.291 445 G C -1.031 173.774 174.900 -0.158 0.000 1.261 445 G CA -0.387 44.633 45.100 -0.134 0.000 0.871 445 G HN 0.583 nan 8.290 nan 0.000 0.491 446 S N -1.163 114.460 115.700 -0.128 0.000 2.616 446 S HA 0.405 4.875 4.470 -0.000 0.000 0.277 446 S C 0.983 175.502 174.600 -0.136 0.000 1.234 446 S CA -0.272 57.821 58.200 -0.179 0.000 1.028 446 S CB 1.298 64.424 63.200 -0.124 0.000 0.988 446 S HN 0.603 nan 8.310 nan 0.000 0.522 447 H N 1.519 120.528 119.070 -0.102 0.000 2.390 447 H HA -0.139 4.417 4.556 -0.000 0.000 0.298 447 H C 2.286 177.557 175.328 -0.095 0.000 1.106 447 H CA 1.701 57.677 56.048 -0.121 0.000 1.297 447 H CB 0.024 29.650 29.762 -0.226 0.000 1.375 447 H HN 0.550 nan 8.280 nan 0.000 0.509 448 R N 0.662 121.177 120.500 0.024 0.000 2.328 448 R HA -0.073 4.267 4.340 -0.000 0.000 0.207 448 R C 0.110 176.441 176.300 0.051 0.000 1.056 448 R CA 1.470 57.576 56.100 0.009 0.000 1.016 448 R CB 0.220 30.504 30.300 -0.026 0.000 0.872 448 R HN 0.348 nan 8.270 nan 0.000 0.471 449 D N 0.296 120.735 120.400 0.066 0.000 2.433 449 D HA 0.010 4.650 4.640 -0.000 0.000 0.211 449 D C 1.445 177.809 176.300 0.107 0.000 1.114 449 D CA -0.103 53.962 54.000 0.110 0.000 0.837 449 D CB 0.453 41.337 40.800 0.139 0.000 0.984 449 D HN 0.124 nan 8.370 nan 0.000 0.505 450 L N 0.862 122.134 121.223 0.081 0.000 2.005 450 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 450 L C 2.045 178.990 176.870 0.125 0.000 1.072 450 L CA 1.457 56.350 54.840 0.089 0.000 0.744 450 L CB -0.627 41.457 42.059 0.042 0.000 0.895 450 L HN -0.031 nan 8.230 nan 0.000 0.433 451 L N -0.386 120.888 121.223 0.085 0.000 1.978 451 L HA -0.315 4.025 4.340 -0.000 0.000 0.218 451 L C 2.657 179.591 176.870 0.107 0.000 1.075 451 L CA 1.850 56.736 54.840 0.078 0.000 0.767 451 L CB -0.973 41.122 42.059 0.060 0.000 0.890 451 L HN 0.465 nan 8.230 nan 0.000 0.434 452 A N -1.259 121.636 122.820 0.124 0.000 1.940 452 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 452 A C 2.111 179.782 177.584 0.145 0.000 1.176 452 A CA 1.850 53.963 52.037 0.126 0.000 0.631 452 A CB -0.902 18.177 19.000 0.132 0.000 0.814 452 A HN 0.555 nan 8.150 nan 0.000 0.446 453 Y N -0.048 120.292 120.300 0.067 0.000 2.220 453 Y HA -0.037 4.513 4.550 -0.000 0.000 0.291 453 Y C 2.000 177.954 175.900 0.089 0.000 1.129 453 Y CA 1.504 59.651 58.100 0.079 0.000 1.161 453 Y CB -0.158 38.367 38.460 0.108 0.000 0.997 453 Y HN 0.202 nan 8.280 nan 0.000 0.522 454 L N -1.021 120.347 121.223 0.243 0.000 2.042 454 L HA -0.258 4.081 4.340 -0.000 0.000 0.210 454 L C 2.298 179.188 176.870 0.033 0.000 1.076 454 L CA 1.240 56.169 54.840 0.149 0.000 0.749 454 L CB -0.684 41.430 42.059 0.091 0.000 0.893 454 L HN 0.158 nan 8.230 nan 0.000 0.432 455 V N -0.369 119.560 119.914 0.025 0.000 2.219 455 V HA -0.362 3.757 4.120 -0.000 0.000 0.248 455 V C 2.612 178.681 176.094 -0.041 0.000 1.053 455 V CA 1.904 64.207 62.300 0.005 0.000 1.009 455 V CB -0.695 31.144 31.823 0.025 0.000 0.636 455 V HN 0.430 nan 8.190 nan 0.000 0.445 456 R N -0.464 119.977 120.500 -0.097 0.000 2.112 456 R HA -0.285 4.055 4.340 -0.000 0.000 0.242 456 R C 2.503 178.698 176.300 -0.175 0.000 1.137 456 R CA 2.408 58.404 56.100 -0.173 0.000 0.944 456 R CB -0.466 29.660 30.300 -0.290 0.000 0.857 456 R HN 0.386 nan 8.270 nan 0.000 0.435 457 R N 0.991 121.361 120.500 -0.217 0.000 2.083 457 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 457 R C 2.169 178.444 176.300 -0.042 0.000 1.137 457 R CA 1.513 57.526 56.100 -0.144 0.000 0.951 457 R CB -0.579 29.671 30.300 -0.083 0.000 0.851 457 R HN 0.233 nan 8.270 nan 0.000 0.434 458 L N -0.011 121.204 121.223 -0.013 0.000 2.217 458 L HA -0.065 4.274 4.340 -0.000 0.000 0.211 458 L C 2.203 179.074 176.870 0.001 0.000 1.107 458 L CA 0.662 55.509 54.840 0.011 0.000 0.783 458 L CB -0.293 41.779 42.059 0.023 0.000 0.919 458 L HN 0.241 nan 8.230 nan 0.000 0.442 459 L N -0.568 120.649 121.223 -0.010 0.000 2.131 459 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 459 L C 2.655 179.525 176.870 -0.000 0.000 1.092 459 L CA 1.114 55.955 54.840 0.002 0.000 0.759 459 L CB -0.346 41.717 42.059 0.007 0.000 0.903 459 L HN 0.326 nan 8.230 nan 0.000 0.435 460 E N -0.075 120.115 120.200 -0.017 0.000 2.190 460 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 460 E C 1.674 178.268 176.600 -0.009 0.000 0.978 460 E CA 0.361 56.752 56.400 -0.015 0.000 0.839 460 E CB 0.183 29.866 29.700 -0.029 0.000 0.787 460 E HN 0.446 nan 8.360 nan 0.000 0.473 461 N N 0.060 118.755 118.700 -0.009 0.000 2.396 461 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 461 N C 1.524 177.029 175.510 -0.008 0.000 1.028 461 N CA 0.995 54.041 53.050 -0.008 0.000 0.893 461 N CB 0.131 38.618 38.487 -0.001 0.000 0.967 461 N HN 0.139 nan 8.380 nan 0.000 0.440 462 G N -0.518 108.280 108.800 -0.003 0.000 3.088 462 G HA2 0.313 4.273 3.960 -0.000 0.000 0.217 462 G HA3 0.313 4.273 3.960 -0.000 0.000 0.217 462 G C 0.338 175.234 174.900 -0.006 0.000 1.159 462 G CA 0.011 45.110 45.100 -0.002 0.000 0.760 462 G HN 0.284 nan 8.290 nan 0.000 0.550 463 A N 0.346 123.159 122.820 -0.010 0.000 2.440 463 A HA 0.345 4.665 4.320 -0.000 0.000 0.251 463 A C 0.945 178.511 177.584 -0.029 0.000 1.089 463 A CA -0.250 51.776 52.037 -0.017 0.000 0.779 463 A CB 0.168 19.153 19.000 -0.026 0.000 1.022 463 A HN 0.363 nan 8.150 nan 0.000 0.492 464 N N 0.737 119.419 118.700 -0.030 0.000 2.459 464 N HA -0.122 4.618 4.740 -0.000 0.000 0.181 464 N C 1.542 177.026 175.510 -0.043 0.000 1.046 464 N CA 1.074 54.103 53.050 -0.034 0.000 0.904 464 N CB 0.080 38.552 38.487 -0.025 0.000 0.964 464 N HN 0.735 nan 8.380 nan 0.000 0.444 465 S N -0.656 115.012 115.700 -0.054 0.000 2.528 465 S HA 0.032 4.502 4.470 -0.000 0.000 0.219 465 S C 0.927 175.504 174.600 -0.038 0.000 0.985 465 S CA -0.532 57.632 58.200 -0.061 0.000 0.914 465 S CB 0.108 63.241 63.200 -0.113 0.000 0.776 465 S HN 0.106 nan 8.310 nan 0.000 0.526 466 S N 1.161 116.843 115.700 -0.031 0.000 2.546 466 S HA 0.127 4.597 4.470 -0.000 0.000 0.290 466 S C 0.604 175.221 174.600 0.028 0.000 1.290 466 S CA -0.637 57.565 58.200 0.004 0.000 1.069 466 S CB -0.244 62.952 63.200 -0.007 0.000 0.846 466 S HN 0.402 nan 8.310 nan 0.000 0.495 467 F N 5.930 125.845 119.950 -0.058 0.000 2.134 467 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 467 F C 2.077 177.849 175.800 -0.047 0.000 1.097 467 F CA 2.100 60.066 58.000 -0.057 0.000 1.264 467 F CB -0.546 38.414 39.000 -0.067 0.000 1.001 467 F HN 0.587 nan 8.300 nan 0.000 0.479 468 V N -0.626 119.340 119.914 0.086 0.000 2.515 468 V HA -0.094 4.026 4.120 -0.000 0.000 0.250 468 V C 2.347 178.370 176.094 -0.119 0.000 1.058 468 V CA 1.511 63.800 62.300 -0.018 0.000 1.064 468 V CB -1.856 29.988 31.823 0.035 0.000 0.675 468 V HN 0.362 nan 8.190 nan 0.000 0.461 469 A N 0.164 122.927 122.820 -0.095 0.000 1.873 469 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 469 A C 2.249 179.748 177.584 -0.142 0.000 1.186 469 A CA 1.974 53.952 52.037 -0.099 0.000 0.616 469 A CB -0.631 18.329 19.000 -0.066 0.000 0.823 469 A HN 0.659 nan 8.150 nan 0.000 0.442 470 Q N -0.636 119.055 119.800 -0.181 0.000 2.079 470 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 470 Q C 2.417 178.272 176.000 -0.242 0.000 0.974 470 Q CA 1.265 56.951 55.803 -0.195 0.000 0.840 470 Q CB -0.408 28.209 28.738 -0.201 0.000 0.898 470 Q HN 0.663 nan 8.270 nan 0.000 0.430 471 A N 1.256 123.827 122.820 -0.414 0.000 1.940 471 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 471 A C 2.238 179.744 177.584 -0.129 0.000 1.176 471 A CA 1.667 53.486 52.037 -0.364 0.000 0.631 471 A CB -0.663 17.999 19.000 -0.563 0.000 0.814 471 A HN 0.398 nan 8.150 nan 0.000 0.446 472 A N -0.930 121.798 122.820 -0.154 0.000 2.167 472 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 472 A C 0.862 178.317 177.584 -0.217 0.000 1.151 472 A CA 0.913 52.852 52.037 -0.163 0.000 0.735 472 A CB -0.224 18.683 19.000 -0.156 0.000 0.802 472 A HN 0.388 nan 8.150 nan 0.000 0.467 473 D N -0.777 119.550 120.400 -0.122 0.000 2.380 473 D HA 0.233 4.873 4.640 -0.000 0.000 0.230 473 D C 0.106 176.445 176.300 0.066 0.000 1.154 473 D CA -0.514 53.435 54.000 -0.086 0.000 0.859 473 D CB 0.120 40.876 40.800 -0.073 0.000 1.045 473 D HN 0.239 nan 8.370 nan 0.000 0.495 474 Y N 2.636 122.888 120.300 -0.081 0.000 2.616 474 Y HA 0.028 4.578 4.550 -0.000 0.000 0.296 474 Y C 2.003 177.866 175.900 -0.063 0.000 1.154 474 Y CA 0.390 58.447 58.100 -0.073 0.000 1.325 474 Y CB -0.193 38.230 38.460 -0.062 0.000 1.007 474 Y HN 0.419 nan 8.280 nan 0.000 0.542 475 R N -0.668 119.885 120.500 0.088 0.000 2.148 475 R HA 0.001 4.341 4.340 -0.000 0.000 0.223 475 R C 0.295 176.599 176.300 0.008 0.000 1.088 475 R CA 0.420 56.538 56.100 0.030 0.000 0.985 475 R CB -0.121 30.182 30.300 0.005 0.000 0.880 475 R HN -0.067 nan 8.270 nan 0.000 0.451 476 V N 3.871 123.787 119.914 0.004 0.000 2.427 476 V HA 0.144 4.264 4.120 -0.000 0.000 0.268 476 V C -2.108 173.967 176.094 -0.032 0.000 1.046 476 V CA -1.824 60.461 62.300 -0.025 0.000 0.970 476 V CB 0.879 32.669 31.823 -0.054 0.000 1.001 476 V HN 0.021 nan 8.190 nan 0.000 0.476 477 P HA 0.189 nan 4.420 nan 0.000 0.275 477 P C 1.109 178.378 177.300 -0.052 0.000 1.228 477 P CA -0.227 62.846 63.100 -0.044 0.000 0.786 477 P CB 0.944 32.625 31.700 -0.030 0.000 0.927 478 V N 4.315 124.190 119.914 -0.064 0.000 2.282 478 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 478 V C -0.695 175.376 176.094 -0.037 0.000 1.057 478 V CA 2.488 64.749 62.300 -0.064 0.000 1.032 478 V CB -2.274 29.503 31.823 -0.076 0.000 0.645 478 V HN 0.654 nan 8.190 nan 0.000 0.447 479 P HA -0.189 nan 4.420 nan 0.000 0.216 479 P C 1.675 178.984 177.300 0.015 0.000 1.150 479 P CA 2.075 65.189 63.100 0.024 0.000 0.843 479 P CB -0.180 31.541 31.700 0.034 0.000 0.787 480 A N -0.616 122.202 122.820 -0.003 0.000 1.933 480 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 480 A C 2.090 179.676 177.584 0.003 0.000 1.175 480 A CA 1.398 53.432 52.037 -0.005 0.000 0.628 480 A CB -1.638 17.351 19.000 -0.019 0.000 0.814 480 A HN 0.157 nan 8.150 nan 0.000 0.444 481 L N -0.844 120.378 121.223 -0.002 0.000 2.376 481 L HA -0.007 4.333 4.340 -0.000 0.000 0.219 481 L C 1.730 178.660 176.870 0.099 0.000 1.133 481 L CA 0.399 55.270 54.840 0.051 0.000 0.816 481 L CB -0.281 41.782 42.059 0.007 0.000 0.933 481 L HN 0.330 nan 8.230 nan 0.000 0.449 482 L N -0.686 120.561 121.223 0.040 0.000 2.607 482 L HA 0.100 4.440 4.340 -0.000 0.000 0.228 482 L C 1.132 178.021 176.870 0.033 0.000 1.123 482 L CA -0.092 54.761 54.840 0.022 0.000 0.890 482 L CB -0.000 42.050 42.059 -0.014 0.000 1.103 482 L HN 0.299 nan 8.230 nan 0.000 0.468 483 Q N 1.819 121.637 119.800 0.030 0.000 2.263 483 Q HA -0.026 4.314 4.340 -0.000 0.000 0.289 483 Q C -0.243 175.761 176.000 0.007 0.000 1.061 483 Q CA -0.057 55.758 55.803 0.020 0.000 0.927 483 Q CB 0.674 29.419 28.738 0.011 0.000 1.154 483 Q HN 0.102 nan 8.270 nan 0.000 0.378 484 R N 5.209 125.710 120.500 0.003 0.000 2.491 484 R HA 0.104 4.443 4.340 -0.000 0.000 0.283 484 R C -1.670 174.619 176.300 -0.018 0.000 1.072 484 R CA -1.687 54.406 56.100 -0.011 0.000 1.048 484 R CB 0.097 30.390 30.300 -0.011 0.000 0.983 484 R HN 0.561 nan 8.270 nan 0.000 0.450 485 P HA -0.189 nan 4.420 nan 0.000 0.215 485 P C 0.579 177.859 177.300 -0.033 0.000 1.153 485 P CA 1.721 64.799 63.100 -0.037 0.000 0.853 485 P CB 0.122 31.792 31.700 -0.050 0.000 0.788 486 A N 0.078 122.882 122.820 -0.026 0.000 1.948 486 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 486 A C 1.902 179.479 177.584 -0.011 0.000 1.177 486 A CA 2.170 54.197 52.037 -0.017 0.000 0.636 486 A CB -1.395 17.603 19.000 -0.004 0.000 0.815 486 A HN 0.126 nan 8.150 nan 0.000 0.449 487 D N -0.391 120.004 120.400 -0.009 0.000 2.317 487 D HA 0.127 4.766 4.640 -0.000 0.000 0.211 487 D C 2.021 178.313 176.300 -0.012 0.000 0.966 487 D CA 1.065 55.061 54.000 -0.006 0.000 0.876 487 D CB -0.162 40.637 40.800 -0.002 0.000 0.927 487 D HN 0.467 nan 8.370 nan 0.000 0.519 488 A N 0.772 123.582 122.820 -0.018 0.000 1.898 488 A HA -0.060 4.260 4.320 -0.000 0.000 0.214 488 A C 2.079 179.646 177.584 -0.028 0.000 1.183 488 A CA 0.593 52.616 52.037 -0.024 0.000 0.622 488 A CB -0.134 18.850 19.000 -0.027 0.000 0.824 488 A HN 0.066 nan 8.150 nan 0.000 0.444 489 I N -0.407 120.146 120.570 -0.028 0.000 2.277 489 I HA -0.098 4.072 4.170 -0.000 0.000 0.243 489 I C 2.328 178.434 176.117 -0.018 0.000 1.094 489 I CA 1.661 62.945 61.300 -0.026 0.000 1.393 489 I CB -1.150 36.832 38.000 -0.029 0.000 1.078 489 I HN 0.748 nan 8.210 nan 0.000 0.417 490 V N -0.685 119.222 119.914 -0.013 0.000 0.456 490 V HA -0.371 3.749 4.120 -0.000 0.000 0.092 490 V C 0.625 176.716 176.094 -0.004 0.000 2.503 490 V CA 2.150 64.446 62.300 -0.007 0.000 3.694 490 V CB -1.333 30.485 31.823 -0.008 0.000 0.970 490 V HN 0.632 nan 8.190 nan 0.000 1.019 491 R N 0.986 121.484 120.500 -0.004 0.000 2.621 491 R HA 0.742 5.081 4.340 -0.000 0.000 0.284 491 R C -1.996 174.308 176.300 0.007 0.000 0.998 491 R CA -1.503 54.597 56.100 0.002 0.000 0.895 491 R CB 1.851 32.152 30.300 0.001 0.000 1.195 491 R HN 0.215 nan 8.270 nan 0.000 0.450 492 P HA -0.280 nan 4.420 nan 0.000 0.216 492 P C 0.954 178.272 177.300 0.031 0.000 1.157 492 P CA 1.393 64.507 63.100 0.023 0.000 0.880 492 P CB 0.171 31.886 31.700 0.025 0.000 0.791 493 Q N -0.492 119.324 119.800 0.025 0.000 2.297 493 Q HA -0.124 4.216 4.340 -0.000 0.000 0.208 493 Q C 1.840 177.856 176.000 0.028 0.000 0.981 493 Q CA 1.490 57.311 55.803 0.029 0.000 0.876 493 Q CB -1.461 27.289 28.738 0.021 0.000 0.921 493 Q HN 0.365 nan 8.270 nan 0.000 0.446 494 A N -0.975 121.856 122.820 0.019 0.000 2.307 494 A HA 0.660 4.980 4.320 -0.000 0.000 0.218 494 A C 2.130 179.724 177.584 0.016 0.000 1.228 494 A CA 0.806 52.848 52.037 0.008 0.000 0.857 494 A CB -0.570 18.425 19.000 -0.009 0.000 0.897 494 A HN 0.682 nan 8.150 nan 0.000 0.495 495 A N 0.514 123.359 122.820 0.041 0.000 1.877 495 A HA 0.353 4.672 4.320 -0.000 0.000 0.216 495 A C 1.625 179.273 177.584 0.106 0.000 1.186 495 A CA 1.173 53.247 52.037 0.063 0.000 0.620 495 A CB -0.835 18.218 19.000 0.088 0.000 0.822 495 A HN 1.056 nan 8.150 nan 0.000 0.443 496 A N -0.395 122.499 122.820 0.123 0.000 2.386 496 A HA 0.392 4.712 4.320 -0.000 0.000 0.248 496 A C 0.256 177.924 177.584 0.140 0.000 1.082 496 A CA -0.353 51.781 52.037 0.162 0.000 0.789 496 A CB -0.226 18.869 19.000 0.158 0.000 1.025 496 A HN 0.514 nan 8.150 nan 0.000 0.490 497 H N 3.124 122.254 119.070 0.099 0.000 2.803 497 H HA 0.131 4.687 4.556 -0.000 0.000 0.330 497 H C -1.489 173.878 175.328 0.066 0.000 1.057 497 H CA -1.167 54.928 56.048 0.078 0.000 1.458 497 H CB 1.297 31.114 29.762 0.092 0.000 1.470 497 H HN 0.399 nan 8.280 nan 0.000 0.560 498 P HA 0.001 nan 4.420 nan 0.000 0.229 498 P C 0.545 177.958 177.300 0.188 0.000 1.160 498 P CA 0.797 63.952 63.100 0.092 0.000 0.777 498 P CB 0.416 32.110 31.700 -0.009 0.000 0.814 499 R N -0.411 120.332 120.500 0.405 0.000 2.546 499 R HA 0.374 4.714 4.340 -0.000 0.000 0.320 499 R C 0.271 176.651 176.300 0.133 0.000 1.021 499 R CA -0.136 56.114 56.100 0.249 0.000 1.088 499 R CB 0.304 30.754 30.300 0.250 0.000 1.278 499 R HN 0.211 nan 8.270 nan 0.000 0.557 500 I N 3.091 123.746 120.570 0.141 0.000 2.437 500 I HA 0.279 4.449 4.170 -0.000 0.000 0.279 500 I C -2.153 174.028 176.117 0.105 0.000 1.028 500 I CA -2.253 59.069 61.300 0.036 0.000 1.142 500 I CB 1.702 39.648 38.000 -0.089 0.000 1.266 500 I HN -0.176 nan 8.210 nan 0.000 0.461 501 P HA 0.236 nan 4.420 nan 0.000 0.274 501 P C -0.269 177.128 177.300 0.162 0.000 1.231 501 P CA -0.364 62.793 63.100 0.095 0.000 0.790 501 P CB 1.008 32.725 31.700 0.029 0.000 0.951 502 L N 3.168 124.456 121.223 0.108 0.000 2.483 502 L HA 0.020 4.360 4.340 -0.000 0.000 0.275 502 L C -0.978 175.828 176.870 -0.106 0.000 1.220 502 L CA -1.279 53.556 54.840 -0.008 0.000 0.833 502 L CB -0.416 41.613 42.059 -0.049 0.000 1.102 502 L HN 0.293 nan 8.230 nan 0.000 0.490 503 P HA -0.191 nan 4.420 nan 0.000 0.216 503 P C 1.605 178.784 177.300 -0.201 0.000 1.153 503 P CA 1.436 64.399 63.100 -0.229 0.000 0.858 503 P CB -0.092 31.445 31.700 -0.272 0.000 0.789 504 C N -2.265 116.945 119.300 -0.149 0.000 2.432 504 C HA 0.003 4.463 4.460 -0.000 0.000 0.282 504 C C 1.599 176.536 174.990 -0.088 0.000 1.388 504 C CA 0.432 59.390 59.018 -0.100 0.000 1.777 504 C CB -1.723 25.981 27.740 -0.061 0.000 1.882 504 C HN 0.135 nan 8.230 nan 0.000 0.520 505 D N 0.408 120.751 120.400 -0.095 0.000 2.342 505 D HA 0.108 4.748 4.640 -0.000 0.000 0.221 505 D C 1.706 177.931 176.300 -0.125 0.000 1.101 505 D CA -0.014 53.948 54.000 -0.064 0.000 0.837 505 D CB 0.058 40.846 40.800 -0.021 0.000 0.938 505 D HN 0.398 nan 8.370 nan 0.000 0.508 506 L N -0.210 120.840 121.223 -0.289 0.000 2.081 506 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 506 L C 1.246 177.840 176.870 -0.460 0.000 1.080 506 L CA 1.810 56.360 54.840 -0.484 0.000 0.754 506 L CB -0.423 41.126 42.059 -0.850 0.000 0.893 506 L HN -0.006 nan 8.230 nan 0.000 0.433 507 F N -0.914 119.040 119.950 0.006 0.000 2.653 507 F HA 0.431 4.958 4.527 -0.000 0.000 0.304 507 F C 1.283 177.094 175.800 0.018 0.000 1.092 507 F CA -0.248 57.759 58.000 0.012 0.000 1.279 507 F CB -0.528 38.479 39.000 0.011 0.000 1.044 507 F HN -0.010 nan 8.300 nan 0.000 0.564 508 A N 2.293 125.184 122.820 0.119 0.000 2.498 508 A HA 0.187 4.506 4.320 -0.000 0.000 0.239 508 A C -1.194 176.437 177.584 0.080 0.000 1.068 508 A CA -0.753 51.336 52.037 0.087 0.000 0.766 508 A CB -0.276 18.753 19.000 0.048 0.000 1.003 508 A HN 0.142 nan 8.150 nan 0.000 0.497 509 P HA 0.078 nan 4.420 nan 0.000 0.262 509 P C 0.470 177.806 177.300 0.061 0.000 1.304 509 P CA 0.055 63.189 63.100 0.057 0.000 0.859 509 P CB 0.533 32.257 31.700 0.039 0.000 1.310 510 E N 1.876 122.124 120.200 0.080 0.000 2.049 510 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 510 E C 1.285 177.925 176.600 0.067 0.000 1.007 510 E CA 1.422 57.862 56.400 0.067 0.000 0.809 510 E CB -0.282 29.470 29.700 0.087 0.000 0.749 510 E HN 0.562 nan 8.360 nan 0.000 0.450 511 R N -2.284 118.286 120.500 0.116 0.000 2.728 511 R HA 0.680 5.019 4.340 -0.000 0.000 0.274 511 R C -0.365 176.025 176.300 0.151 0.000 1.030 511 R CA -0.577 55.587 56.100 0.108 0.000 0.876 511 R CB 0.710 31.059 30.300 0.083 0.000 1.259 511 R HN -0.004 nan 8.270 nan 0.000 0.468 512 R N 1.258 121.828 120.500 0.116 0.000 2.582 512 R HA 0.216 4.556 4.340 -0.000 0.000 0.271 512 R C -0.244 176.156 176.300 0.166 0.000 1.078 512 R CA -0.061 56.106 56.100 0.112 0.000 1.127 512 R CB -0.190 30.156 30.300 0.076 0.000 1.038 512 R HN 0.707 nan 8.270 nan 0.000 0.500 513 N N -0.098 118.685 118.700 0.138 0.000 2.456 513 N HA 0.258 4.998 4.740 -0.000 0.000 0.296 513 N C -0.289 175.262 175.510 0.068 0.000 1.102 513 N CA 0.176 53.321 53.050 0.158 0.000 0.924 513 N CB 1.591 40.088 38.487 0.016 0.000 1.186 513 N HN 0.817 nan 8.380 nan 0.000 0.492 514 S N 1.765 117.499 115.700 0.057 0.000 2.600 514 S HA 0.411 4.881 4.470 -0.000 0.000 0.265 514 S C 0.176 174.771 174.600 -0.008 0.000 1.325 514 S CA -0.546 57.663 58.200 0.015 0.000 1.002 514 S CB 0.934 64.132 63.200 -0.004 0.000 0.921 514 S HN 0.527 nan 8.310 nan 0.000 0.554 515 R N 0.167 120.658 120.500 -0.015 0.000 2.407 515 R HA 0.608 4.948 4.340 -0.000 0.000 0.303 515 R C 0.621 176.905 176.300 -0.028 0.000 0.981 515 R CA -0.382 55.702 56.100 -0.028 0.000 0.905 515 R CB 1.604 31.891 30.300 -0.022 0.000 1.099 515 R HN 0.843 nan 8.270 nan 0.000 0.459 516 G N 0.774 109.548 108.800 -0.044 0.000 2.938 516 G HA2 0.595 4.555 3.960 -0.000 0.000 0.258 516 G HA3 0.595 4.555 3.960 -0.000 0.000 0.258 516 G C -1.112 173.771 174.900 -0.028 0.000 1.356 516 G CA -0.427 44.649 45.100 -0.040 0.000 1.052 516 G HN 0.329 nan 8.290 nan 0.000 0.550 517 V N -0.229 119.680 119.914 -0.009 0.000 2.808 517 V HA 0.411 4.531 4.120 -0.000 0.000 0.308 517 V C -1.027 175.074 176.094 0.012 0.000 1.099 517 V CA -0.772 61.549 62.300 0.034 0.000 0.920 517 V CB 1.895 33.814 31.823 0.160 0.000 1.014 517 V HN 0.757 nan 8.190 nan 0.000 0.425 518 E N 2.770 122.923 120.200 -0.079 0.000 2.105 518 E HA 0.352 4.701 4.350 -0.000 0.000 0.285 518 E C 0.152 176.770 176.600 0.029 0.000 1.055 518 E CA -0.280 56.020 56.400 -0.167 0.000 0.843 518 E CB 0.454 29.839 29.700 -0.526 0.000 1.067 518 E HN 0.417 nan 8.360 nan 0.000 0.398 519 F N 2.515 122.358 119.950 -0.179 0.000 2.365 519 F HA 0.108 4.635 4.527 -0.000 0.000 0.300 519 F C 2.086 177.799 175.800 -0.146 0.000 1.090 519 F CA 1.126 59.044 58.000 -0.136 0.000 1.408 519 F CB -0.624 38.319 39.000 -0.094 0.000 1.060 519 F HN 0.640 nan 8.300 nan 0.000 0.534 520 G N -0.710 108.096 108.800 0.009 0.000 2.920 520 G HA2 0.247 4.206 3.960 -0.000 0.000 0.208 520 G HA3 0.247 4.206 3.960 -0.000 0.000 0.208 520 G C 0.470 175.336 174.900 -0.057 0.000 1.159 520 G CA 0.469 45.550 45.100 -0.032 0.000 0.784 520 G HN 0.342 nan 8.290 nan 0.000 0.535 521 A N 0.957 123.682 122.820 -0.157 0.000 2.322 521 A HA 0.525 4.845 4.320 -0.000 0.000 0.327 521 A C 1.491 179.028 177.584 -0.078 0.000 1.394 521 A CA -0.500 51.465 52.037 -0.120 0.000 0.921 521 A CB 0.383 19.217 19.000 -0.277 0.000 1.153 521 A HN 0.412 nan 8.150 nan 0.000 0.523 522 R N 1.373 121.847 120.500 -0.043 0.000 2.105 522 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 522 R C 1.423 177.682 176.300 -0.068 0.000 1.135 522 R CA 2.284 58.351 56.100 -0.056 0.000 0.967 522 R CB -0.685 29.593 30.300 -0.036 0.000 0.861 522 R HN 0.467 nan 8.270 nan 0.000 0.442 523 T N -0.134 114.385 114.554 -0.059 0.000 2.867 523 T HA 0.024 4.374 4.350 -0.000 0.000 0.268 523 T C 1.842 176.502 174.700 -0.066 0.000 1.057 523 T CA 1.279 63.344 62.100 -0.058 0.000 1.136 523 T CB -0.194 68.644 68.868 -0.050 0.000 0.874 523 T HN 0.534 nan 8.240 nan 0.000 0.466 524 A N 0.978 123.752 122.820 -0.077 0.000 1.872 524 A HA 0.107 4.426 4.320 -0.000 0.000 0.214 524 A C 2.169 179.693 177.584 -0.100 0.000 1.187 524 A CA 1.317 53.307 52.037 -0.079 0.000 0.614 524 A CB -0.858 18.087 19.000 -0.091 0.000 0.826 524 A HN 0.491 nan 8.150 nan 0.000 0.442 525 L N 0.218 121.360 121.223 -0.135 0.000 2.046 525 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 525 L C 1.604 178.355 176.870 -0.198 0.000 1.077 525 L CA 2.493 57.189 54.840 -0.240 0.000 0.747 525 L CB -0.732 41.156 42.059 -0.285 0.000 0.896 525 L HN 0.332 nan 8.230 nan 0.000 0.432 526 D N -0.851 119.468 120.400 -0.135 0.000 2.104 526 D HA -0.232 4.408 4.640 -0.000 0.000 0.194 526 D C 2.114 178.359 176.300 -0.090 0.000 0.994 526 D CA 1.367 55.304 54.000 -0.105 0.000 0.830 526 D CB -0.143 40.611 40.800 -0.076 0.000 0.959 526 D HN 0.375 nan 8.370 nan 0.000 0.452 527 Q N 0.292 120.045 119.800 -0.078 0.000 2.084 527 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 527 Q C 2.035 177.997 176.000 -0.063 0.000 0.978 527 Q CA 0.855 56.622 55.803 -0.060 0.000 0.844 527 Q CB -0.542 28.167 28.738 -0.048 0.000 0.898 527 Q HN 0.265 nan 8.270 nan 0.000 0.426 528 L N -0.366 120.807 121.223 -0.083 0.000 2.046 528 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 528 L C 1.977 178.793 176.870 -0.090 0.000 1.077 528 L CA 1.721 56.513 54.840 -0.080 0.000 0.747 528 L CB -0.664 41.332 42.059 -0.105 0.000 0.896 528 L HN 0.378 nan 8.230 nan 0.000 0.432 529 L N -1.179 119.969 121.223 -0.124 0.000 2.046 529 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 529 L C 2.361 179.187 176.870 -0.072 0.000 1.077 529 L CA 1.796 56.569 54.840 -0.112 0.000 0.747 529 L CB -0.964 41.015 42.059 -0.132 0.000 0.896 529 L HN 0.290 nan 8.230 nan 0.000 0.432 530 T N -0.935 113.580 114.554 -0.064 0.000 2.708 530 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 530 T C 1.451 176.131 174.700 -0.034 0.000 1.037 530 T CA 1.589 63.662 62.100 -0.045 0.000 1.146 530 T CB -0.273 68.571 68.868 -0.040 0.000 0.865 530 T HN 0.308 nan 8.240 nan 0.000 0.435 531 D N 0.701 121.082 120.400 -0.031 0.000 2.123 531 D HA -0.065 4.575 4.640 -0.000 0.000 0.196 531 D C 2.237 178.529 176.300 -0.012 0.000 0.992 531 D CA 0.673 54.664 54.000 -0.016 0.000 0.833 531 D CB -0.586 40.209 40.800 -0.010 0.000 0.954 531 D HN 0.192 nan 8.370 nan 0.000 0.455 532 V N 0.957 120.857 119.914 -0.022 0.000 2.427 532 V HA -0.226 3.893 4.120 -0.000 0.000 0.248 532 V C 2.721 178.797 176.094 -0.030 0.000 1.051 532 V CA 2.350 64.636 62.300 -0.023 0.000 1.048 532 V CB -0.741 31.064 31.823 -0.029 0.000 0.666 532 V HN 0.330 nan 8.190 nan 0.000 0.456 533 K N 0.300 120.680 120.400 -0.033 0.000 2.097 533 K HA -0.061 4.258 4.320 -0.000 0.000 0.206 533 K C 2.194 178.779 176.600 -0.025 0.000 1.049 533 K CA 1.751 58.018 56.287 -0.032 0.000 0.933 533 K CB -1.210 31.269 32.500 -0.034 0.000 0.717 533 K HN 0.605 nan 8.250 nan 0.000 0.442 534 A N 1.112 123.921 122.820 -0.019 0.000 2.070 534 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 534 A C 0.855 178.436 177.584 -0.006 0.000 1.159 534 A CA 0.605 52.635 52.037 -0.012 0.000 0.656 534 A CB 0.018 19.013 19.000 -0.007 0.000 0.800 534 A HN 0.531 nan 8.150 nan 0.000 0.453 535 E N 1.353 121.547 120.200 -0.010 0.000 2.105 535 E HA 0.366 4.716 4.350 -0.000 0.000 0.285 535 E C -0.476 176.099 176.600 -0.041 0.000 1.055 535 E CA 0.209 56.603 56.400 -0.010 0.000 0.843 535 E CB 0.703 30.390 29.700 -0.021 0.000 1.067 535 E HN 0.371 nan 8.360 nan 0.000 0.398 543 A N 4.144 126.977 122.820 0.022 0.000 2.371 543 A HA 0.519 4.839 4.320 -0.000 0.000 0.257 543 A C -0.276 177.327 177.584 0.032 0.000 1.089 543 A CA -0.202 51.850 52.037 0.024 0.000 0.794 543 A CB 0.326 19.340 19.000 0.024 0.000 1.029 543 A HN 0.622 nan 8.150 nan 0.000 0.488 544 D N 0.781 121.200 120.400 0.032 0.000 2.399 544 D HA 0.428 5.068 4.640 -0.000 0.000 0.241 544 D C 0.587 176.913 176.300 0.044 0.000 1.133 544 D CA 0.815 54.839 54.000 0.040 0.000 0.890 544 D CB 1.114 41.936 40.800 0.037 0.000 1.201 544 D HN 0.703 nan 8.370 nan 0.000 0.432 545 A N 1.357 124.209 122.820 0.054 0.000 2.371 545 A HA 0.455 4.775 4.320 -0.000 0.000 0.257 545 A C 0.677 178.292 177.584 0.051 0.000 1.089 545 A CA -0.510 51.561 52.037 0.056 0.000 0.794 545 A CB 0.112 19.153 19.000 0.069 0.000 1.029 545 A HN 0.572 nan 8.150 nan 0.000 0.488 546 T N -0.022 114.560 114.554 0.046 0.000 2.882 546 T HA 0.395 4.745 4.350 -0.000 0.000 0.287 546 T C -1.946 172.785 174.700 0.051 0.000 1.014 546 T CA -1.305 60.819 62.100 0.040 0.000 1.049 546 T CB 0.722 69.608 68.868 0.029 0.000 1.001 546 T HN 0.326 nan 8.240 nan 0.000 0.525 547 P HA -0.050 nan 4.420 nan 0.000 0.219 547 P C 0.869 178.208 177.300 0.064 0.000 1.146 547 P CA 0.891 64.025 63.100 0.057 0.000 0.808 547 P CB 0.046 31.755 31.700 0.016 0.000 0.779 548 D N -1.009 119.409 120.400 0.030 0.000 2.123 548 D HA -0.109 4.530 4.640 -0.000 0.000 0.200 548 D C 2.053 178.399 176.300 0.077 0.000 0.976 548 D CA 1.044 55.063 54.000 0.031 0.000 0.831 548 D CB -0.485 40.319 40.800 0.007 0.000 0.974 548 D HN 0.257 nan 8.370 nan 0.000 0.469 549 Q N 0.196 120.034 119.800 0.063 0.000 2.167 549 Q HA -0.014 4.325 4.340 -0.000 0.000 0.202 549 Q C 2.116 178.154 176.000 0.064 0.000 0.970 549 Q CA 1.204 57.041 55.803 0.058 0.000 0.855 549 Q CB -0.021 28.748 28.738 0.052 0.000 0.911 549 Q HN 0.200 nan 8.270 nan 0.000 0.438 550 A N 0.297 123.173 122.820 0.093 0.000 1.902 550 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 550 A C 1.538 179.173 177.584 0.084 0.000 1.181 550 A CA 1.682 53.774 52.037 0.091 0.000 0.623 550 A CB -0.644 18.431 19.000 0.126 0.000 0.818 550 A HN 0.326 nan 8.150 nan 0.000 0.443 551 H N -0.407 118.686 119.070 0.038 0.000 2.389 551 H HA 0.091 4.646 4.556 -0.000 0.000 0.299 551 H C 2.408 177.734 175.328 -0.004 0.000 1.081 551 H CA 1.423 57.519 56.048 0.080 0.000 1.345 551 H CB -0.195 29.639 29.762 0.121 0.000 1.393 551 H HN 0.488 nan 8.280 nan 0.000 0.520 552 A N 0.583 123.456 122.820 0.088 0.000 1.902 552 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 552 A C 2.556 180.051 177.584 -0.150 0.000 1.181 552 A CA 1.707 53.738 52.037 -0.010 0.000 0.623 552 A CB -1.129 17.873 19.000 0.003 0.000 0.818 552 A HN 0.484 nan 8.150 nan 0.000 0.443 553 A N -0.541 122.175 122.820 -0.174 0.000 1.908 553 A HA -0.028 4.291 4.320 -0.000 0.000 0.218 553 A C 2.231 179.554 177.584 -0.435 0.000 1.181 553 A CA 1.888 53.710 52.037 -0.359 0.000 0.627 553 A CB -0.959 17.943 19.000 -0.163 0.000 0.818 553 A HN 0.425 nan 8.150 nan 0.000 0.445 554 V N -0.175 119.534 119.914 -0.341 0.000 2.343 554 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 554 V C 3.044 178.924 176.094 -0.358 0.000 1.051 554 V CA 1.902 63.942 62.300 -0.433 0.000 1.036 554 V CB -1.313 30.008 31.823 -0.838 0.000 0.654 554 V HN 0.622 nan 8.190 nan 0.000 0.451 555 A N 0.147 122.806 122.820 -0.268 0.000 1.877 555 A HA -0.134 4.185 4.320 -0.000 0.000 0.216 555 A C 2.446 179.947 177.584 -0.140 0.000 1.186 555 A CA 2.215 54.169 52.037 -0.139 0.000 0.620 555 A CB -0.870 18.102 19.000 -0.046 0.000 0.822 555 A HN 0.569 nan 8.150 nan 0.000 0.443 556 A N -0.181 122.492 122.820 -0.243 0.000 1.902 556 A HA 0.142 4.461 4.320 -0.000 0.000 0.217 556 A C 2.523 180.018 177.584 -0.149 0.000 1.181 556 A CA 2.227 54.116 52.037 -0.247 0.000 0.623 556 A CB -1.070 17.623 19.000 -0.512 0.000 0.818 556 A HN 1.098 nan 8.150 nan 0.000 0.443 557 A N -0.379 122.274 122.820 -0.279 0.000 1.902 557 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 557 A C 2.255 179.891 177.584 0.087 0.000 1.181 557 A CA 1.741 53.810 52.037 0.052 0.000 0.623 557 A CB -0.537 18.477 19.000 0.023 0.000 0.818 557 A HN 0.562 nan 8.150 nan 0.000 0.443 558 R N -0.308 120.187 120.500 -0.009 0.000 2.105 558 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 558 R C 2.183 178.561 176.300 0.129 0.000 1.135 558 R CA 1.525 57.648 56.100 0.037 0.000 0.967 558 R CB -0.378 29.905 30.300 -0.029 0.000 0.861 558 R HN 0.447 nan 8.270 nan 0.000 0.442 559 A N -0.197 122.679 122.820 0.092 0.000 1.968 559 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 559 A C 2.166 179.837 177.584 0.144 0.000 1.169 559 A CA 1.387 53.487 52.037 0.107 0.000 0.638 559 A CB -0.597 18.446 19.000 0.072 0.000 0.812 559 A HN 0.558 nan 8.150 nan 0.000 0.446 560 G N -1.785 107.126 108.800 0.184 0.000 2.712 560 G HA2 0.014 3.974 3.960 -0.000 0.000 0.212 560 G HA3 0.014 3.974 3.960 -0.000 0.000 0.212 560 G C 1.226 176.271 174.900 0.243 0.000 1.142 560 G CA 0.714 45.931 45.100 0.195 0.000 0.789 560 G HN 0.447 nan 8.290 nan 0.000 0.535 561 F N 2.806 122.833 119.950 0.128 0.000 2.069 561 F HA -0.043 4.483 4.527 -0.000 0.000 0.298 561 F C 2.655 178.536 175.800 0.135 0.000 1.113 561 F CA 1.338 59.427 58.000 0.147 0.000 1.214 561 F CB -0.564 38.497 39.000 0.101 0.000 0.978 561 F HN 0.207 nan 8.300 nan 0.000 0.474 562 A N 0.489 123.207 122.820 -0.170 0.000 1.903 562 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 562 A C 2.533 179.983 177.584 -0.224 0.000 1.191 562 A CA 2.200 54.057 52.037 -0.299 0.000 0.638 562 A CB -1.871 17.086 19.000 -0.072 0.000 0.823 562 A HN 0.576 nan 8.150 nan 0.000 0.451 563 G N -2.092 106.673 108.800 -0.058 0.000 2.402 563 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 563 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 563 G C 1.564 176.489 174.900 0.041 0.000 1.162 563 G CA 0.820 45.920 45.100 0.002 0.000 0.777 563 G HN 0.693 nan 8.290 nan 0.000 0.539 564 W N 2.239 123.468 121.300 -0.118 0.000 2.381 564 W HA -0.186 4.474 4.660 -0.000 0.000 0.301 564 W C 2.760 179.187 176.519 -0.153 0.000 1.205 564 W CA 1.906 59.197 57.345 -0.090 0.000 1.285 564 W CB -0.149 29.302 29.460 -0.016 0.000 1.133 564 W HN 0.383 nan 8.180 nan 0.000 0.521 565 S N 0.908 116.424 115.700 -0.307 0.000 2.400 565 S HA -0.194 4.276 4.470 -0.000 0.000 0.232 565 S C 1.650 176.017 174.600 -0.388 0.000 1.025 565 S CA 1.170 59.100 58.200 -0.450 0.000 0.993 565 S CB -0.589 62.165 63.200 -0.743 0.000 0.808 565 S HN 0.353 nan 8.310 nan 0.000 0.478 566 R N 0.872 121.183 120.500 -0.315 0.000 2.300 566 R HA 0.199 4.539 4.340 -0.000 0.000 0.199 566 R C -0.032 176.137 176.300 -0.219 0.000 0.920 566 R CA 0.262 56.226 56.100 -0.227 0.000 1.046 566 R CB -0.034 30.168 30.300 -0.164 0.000 0.984 566 R HN 0.309 nan 8.270 nan 0.000 0.493 567 T N 3.486 117.861 114.554 -0.299 0.000 2.853 567 T HA 0.106 4.456 4.350 -0.000 0.000 0.298 567 T C -2.326 172.175 174.700 -0.332 0.000 0.978 567 T CA -1.043 60.873 62.100 -0.307 0.000 1.152 567 T CB 0.969 69.579 68.868 -0.431 0.000 0.914 567 T HN -0.073 nan 8.240 nan 0.000 0.539 568 P HA 0.086 nan 4.420 nan 0.000 0.265 568 P C 0.559 177.748 177.300 -0.184 0.000 1.187 568 P CA -0.092 62.914 63.100 -0.158 0.000 0.766 568 P CB 0.377 32.021 31.700 -0.094 0.000 0.820 569 A N 4.100 126.841 122.820 -0.132 0.000 1.948 569 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 569 A C 2.328 179.879 177.584 -0.056 0.000 1.177 569 A CA 2.246 54.229 52.037 -0.091 0.000 0.636 569 A CB -1.731 17.285 19.000 0.027 0.000 0.815 569 A HN 0.642 nan 8.150 nan 0.000 0.449 570 G N -0.307 108.469 108.800 -0.040 0.000 2.432 570 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 570 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 570 G C 1.480 176.369 174.900 -0.017 0.000 1.135 570 G CA 1.067 46.156 45.100 -0.019 0.000 0.767 570 G HN 0.507 nan 8.290 nan 0.000 0.550 571 I N 0.024 120.568 120.570 -0.043 0.000 2.353 571 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 571 I C 2.968 179.090 176.117 0.009 0.000 1.119 571 I CA 0.561 61.850 61.300 -0.018 0.000 1.417 571 I CB -0.166 37.813 38.000 -0.034 0.000 1.078 571 I HN 0.118 nan 8.210 nan 0.000 0.421 572 R N 1.068 121.514 120.500 -0.089 0.000 2.075 572 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 572 R C 2.459 178.822 176.300 0.105 0.000 1.126 572 R CA 1.481 57.573 56.100 -0.014 0.000 0.963 572 R CB -0.529 29.608 30.300 -0.270 0.000 0.858 572 R HN 0.312 nan 8.270 nan 0.000 0.435 573 A N 1.714 124.565 122.820 0.052 0.000 1.902 573 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 573 A C 2.448 180.076 177.584 0.073 0.000 1.181 573 A CA 1.662 53.740 52.037 0.069 0.000 0.623 573 A CB -0.620 18.406 19.000 0.043 0.000 0.818 573 A HN 0.388 nan 8.150 nan 0.000 0.443 574 A N -0.191 122.666 122.820 0.061 0.000 1.978 574 A HA 0.128 4.447 4.320 -0.000 0.000 0.220 574 A C 2.456 180.089 177.584 0.081 0.000 1.170 574 A CA 2.101 54.172 52.037 0.058 0.000 0.636 574 A CB -0.892 18.134 19.000 0.044 0.000 0.810 574 A HN 1.040 nan 8.150 nan 0.000 0.448 575 A N -0.698 122.194 122.820 0.120 0.000 1.898 575 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 575 A C 2.005 179.656 177.584 0.112 0.000 1.181 575 A CA 1.597 53.715 52.037 0.135 0.000 0.620 575 A CB -0.512 18.618 19.000 0.217 0.000 0.819 575 A HN 0.389 nan 8.150 nan 0.000 0.442 576 L N -0.010 121.285 121.223 0.121 0.000 2.017 576 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 576 L C 2.386 179.310 176.870 0.090 0.000 1.073 576 L CA 2.148 57.051 54.840 0.106 0.000 0.745 576 L CB -0.827 41.306 42.059 0.124 0.000 0.894 576 L HN 0.479 nan 8.230 nan 0.000 0.432 577 E N -1.316 118.933 120.200 0.083 0.000 2.150 577 E HA -0.274 4.075 4.350 -0.000 0.000 0.193 577 E C 2.109 178.763 176.600 0.089 0.000 0.985 577 E CA 0.932 57.376 56.400 0.075 0.000 0.814 577 E CB -0.038 29.696 29.700 0.056 0.000 0.752 577 E HN 0.399 nan 8.360 nan 0.000 0.466 578 Q N 0.795 120.646 119.800 0.085 0.000 2.172 578 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 578 Q C 1.870 177.951 176.000 0.134 0.000 0.964 578 Q CA 1.486 57.352 55.803 0.107 0.000 0.855 578 Q CB -0.170 28.614 28.738 0.076 0.000 0.918 578 Q HN 0.214 nan 8.270 nan 0.000 0.444 579 A N 0.637 123.513 122.820 0.093 0.000 1.877 579 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 579 A C 2.346 179.957 177.584 0.046 0.000 1.186 579 A CA 1.889 53.964 52.037 0.063 0.000 0.620 579 A CB -1.341 17.686 19.000 0.045 0.000 0.822 579 A HN 0.550 nan 8.150 nan 0.000 0.443 580 A N -0.570 122.287 122.820 0.062 0.000 1.873 580 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 580 A C 2.040 179.659 177.584 0.058 0.000 1.193 580 A CA 2.371 54.436 52.037 0.047 0.000 0.629 580 A CB -1.111 17.927 19.000 0.063 0.000 0.826 580 A HN 0.842 nan 8.150 nan 0.000 0.447 581 H N -0.283 118.795 119.070 0.015 0.000 2.352 581 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 581 H C 1.713 177.054 175.328 0.021 0.000 1.097 581 H CA 2.020 58.080 56.048 0.019 0.000 1.311 581 H CB -0.241 29.535 29.762 0.024 0.000 1.377 581 H HN 0.384 nan 8.280 nan 0.000 0.504 582 L N -0.397 120.816 121.223 -0.017 0.000 2.072 582 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 582 L C 2.531 179.367 176.870 -0.056 0.000 1.079 582 L CA 0.857 55.668 54.840 -0.050 0.000 0.752 582 L CB -0.374 41.721 42.059 0.061 0.000 0.906 582 L HN 0.321 nan 8.230 nan 0.000 0.436 583 L N -0.341 120.830 121.223 -0.087 0.000 2.012 583 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 583 L C 2.613 179.439 176.870 -0.073 0.000 1.073 583 L CA 1.523 56.260 54.840 -0.173 0.000 0.748 583 L CB -0.480 41.435 42.059 -0.240 0.000 0.891 583 L HN 0.298 nan 8.230 nan 0.000 0.431 584 E N -1.015 119.138 120.200 -0.077 0.000 2.107 584 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 584 E C 2.322 178.885 176.600 -0.061 0.000 0.982 584 E CA 1.228 57.595 56.400 -0.054 0.000 0.809 584 E CB -0.093 29.575 29.700 -0.053 0.000 0.756 584 E HN 0.305 nan 8.360 nan 0.000 0.459 585 S N 0.533 116.146 115.700 -0.144 0.000 2.399 585 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 585 S C 1.512 176.101 174.600 -0.018 0.000 1.022 585 S CA 0.977 59.096 58.200 -0.134 0.000 0.983 585 S CB 0.032 63.074 63.200 -0.264 0.000 0.803 585 S HN 0.131 nan 8.310 nan 0.000 0.480 586 R N 0.699 121.232 120.500 0.054 0.000 2.633 586 R HA 0.229 4.569 4.340 -0.000 0.000 0.348 586 R C 1.783 178.250 176.300 0.279 0.000 1.100 586 R CA 0.491 56.690 56.100 0.164 0.000 1.068 586 R CB 0.258 30.695 30.300 0.229 0.000 1.351 586 R HN 0.471 nan 8.270 nan 0.000 0.575 587 S N 0.615 116.416 115.700 0.168 0.000 2.374 587 S HA -0.261 4.209 4.470 -0.000 0.000 0.227 587 S C 2.220 176.929 174.600 0.182 0.000 1.037 587 S CA 1.259 59.561 58.200 0.170 0.000 1.024 587 S CB -0.134 63.116 63.200 0.082 0.000 0.861 587 S HN 0.405 nan 8.310 nan 0.000 0.456 588 A N 1.834 124.732 122.820 0.129 0.000 1.908 588 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 588 A C 2.103 179.742 177.584 0.091 0.000 1.181 588 A CA 2.021 54.111 52.037 0.088 0.000 0.627 588 A CB -1.383 17.651 19.000 0.055 0.000 0.818 588 A HN 0.798 nan 8.150 nan 0.000 0.445 589 H N -1.807 117.275 119.070 0.019 0.000 2.321 589 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 589 H C 1.617 176.861 175.328 -0.140 0.000 1.087 589 H CA 2.255 58.249 56.048 -0.090 0.000 1.319 589 H CB -0.287 29.375 29.762 -0.166 0.000 1.379 589 H HN 0.458 nan 8.280 nan 0.000 0.501 590 F N -0.273 119.712 119.950 0.058 0.000 2.234 590 F HA -0.010 4.517 4.527 -0.000 0.000 0.296 590 F C 2.379 178.162 175.800 -0.027 0.000 1.089 590 F CA 0.822 58.827 58.000 0.007 0.000 1.343 590 F CB -0.172 38.876 39.000 0.080 0.000 1.040 590 F HN 0.161 nan 8.300 nan 0.000 0.498 591 I N -0.049 120.621 120.570 0.166 0.000 2.163 591 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 591 I C 2.664 178.791 176.117 0.016 0.000 1.085 591 I CA 1.340 62.694 61.300 0.089 0.000 1.347 591 I CB -0.766 37.281 38.000 0.078 0.000 1.044 591 I HN 0.102 nan 8.210 nan 0.000 0.408 592 A N 0.331 123.127 122.820 -0.041 0.000 1.940 592 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 592 A C 2.211 179.725 177.584 -0.117 0.000 1.176 592 A CA 1.579 53.563 52.037 -0.087 0.000 0.631 592 A CB -0.682 18.242 19.000 -0.128 0.000 0.814 592 A HN 0.358 nan 8.150 nan 0.000 0.446 593 L N -0.557 120.566 121.223 -0.168 0.000 2.109 593 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 593 L C 2.307 179.147 176.870 -0.049 0.000 1.086 593 L CA 1.329 56.073 54.840 -0.161 0.000 0.760 593 L CB -0.599 41.309 42.059 -0.251 0.000 0.910 593 L HN 0.398 nan 8.230 nan 0.000 0.437 594 L N -1.290 119.937 121.223 0.008 0.000 2.131 594 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 594 L C 2.516 179.397 176.870 0.019 0.000 1.092 594 L CA 1.092 55.955 54.840 0.039 0.000 0.759 594 L CB -0.376 41.728 42.059 0.074 0.000 0.903 594 L HN 0.403 nan 8.230 nan 0.000 0.435 595 Q N -0.487 119.315 119.800 0.004 0.000 2.096 595 Q HA -0.155 4.185 4.340 -0.000 0.000 0.197 595 Q C 2.723 178.715 176.000 -0.013 0.000 0.964 595 Q CA 1.579 57.383 55.803 0.001 0.000 0.838 595 Q CB -0.119 28.618 28.738 -0.001 0.000 0.906 595 Q HN 0.552 nan 8.270 nan 0.000 0.444 596 R N 1.417 121.898 120.500 -0.032 0.000 2.057 596 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 596 R C 1.684 177.960 176.300 -0.039 0.000 1.136 596 R CA 1.678 57.755 56.100 -0.040 0.000 0.952 596 R CB -1.008 29.258 30.300 -0.058 0.000 0.848 596 R HN 0.359 nan 8.270 nan 0.000 0.430 597 E N -0.672 119.506 120.200 -0.037 0.000 2.170 597 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 597 E C 2.141 178.736 176.600 -0.008 0.000 0.981 597 E CA 0.677 57.060 56.400 -0.028 0.000 0.830 597 E CB -0.075 29.609 29.700 -0.027 0.000 0.775 597 E HN 0.567 nan 8.360 nan 0.000 0.470 598 G N -0.379 108.427 108.800 0.010 0.000 2.539 598 G HA2 0.058 4.018 3.960 -0.000 0.000 0.215 598 G HA3 0.058 4.018 3.960 -0.000 0.000 0.215 598 G C 1.099 176.014 174.900 0.026 0.000 1.141 598 G CA 0.365 45.490 45.100 0.041 0.000 0.806 598 G HN 0.452 nan 8.290 nan 0.000 0.533 599 G N -0.057 108.744 108.800 0.001 0.000 2.147 599 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 599 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 599 G C 0.282 175.195 174.900 0.023 0.000 1.005 599 G CA 0.370 45.466 45.100 -0.006 0.000 0.713 599 G HN 0.562 nan 8.290 nan 0.000 0.515 600 K N 1.280 121.696 120.400 0.026 0.000 2.174 600 K HA 0.472 4.791 4.320 -0.000 0.000 0.275 600 K C 1.241 177.868 176.600 0.046 0.000 1.015 600 K CA 0.112 56.419 56.287 0.033 0.000 0.933 600 K CB 0.959 33.472 32.500 0.022 0.000 1.025 600 K HN 0.380 nan 8.250 nan 0.000 0.463 601 T N -0.462 114.128 114.554 0.060 0.000 2.748 601 T HA -0.012 4.338 4.350 -0.000 0.000 0.304 601 T C 1.309 176.058 174.700 0.081 0.000 1.041 601 T CA -0.682 61.459 62.100 0.069 0.000 1.033 601 T CB 0.476 69.395 68.868 0.085 0.000 0.995 601 T HN 0.463 nan 8.240 nan 0.000 0.536 602 L N 1.600 122.880 121.223 0.095 0.000 2.017 602 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 602 L C 2.741 179.746 176.870 0.225 0.000 1.073 602 L CA 2.886 57.802 54.840 0.127 0.000 0.745 602 L CB -1.502 40.597 42.059 0.067 0.000 0.894 602 L HN 1.016 nan 8.230 nan 0.000 0.432 603 D N -1.621 118.941 120.400 0.269 0.000 2.117 603 D HA -0.242 4.398 4.640 -0.000 0.000 0.197 603 D C 1.769 178.112 176.300 0.073 0.000 0.987 603 D CA 1.527 55.616 54.000 0.148 0.000 0.829 603 D CB -0.611 40.212 40.800 0.037 0.000 0.961 603 D HN 0.519 nan 8.370 nan 0.000 0.460 604 D N -0.309 120.138 120.400 0.078 0.000 2.123 604 D HA 0.072 4.712 4.640 -0.000 0.000 0.200 604 D C 2.589 178.932 176.300 0.073 0.000 0.976 604 D CA 1.384 55.421 54.000 0.061 0.000 0.831 604 D CB -0.386 40.438 40.800 0.041 0.000 0.974 604 D HN 0.459 nan 8.370 nan 0.000 0.469 605 A N 1.051 123.918 122.820 0.078 0.000 1.858 605 A HA -0.141 4.178 4.320 -0.000 0.000 0.216 605 A C 2.155 179.794 177.584 0.092 0.000 1.190 605 A CA 1.120 53.208 52.037 0.084 0.000 0.617 605 A CB -0.846 18.200 19.000 0.077 0.000 0.827 605 A HN 0.250 nan 8.150 nan 0.000 0.443 606 L N 0.206 121.488 121.223 0.098 0.000 2.013 606 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 606 L C 2.541 179.441 176.870 0.050 0.000 1.073 606 L CA 2.837 57.728 54.840 0.086 0.000 0.753 606 L CB -1.043 41.090 42.059 0.122 0.000 0.890 606 L HN 0.373 nan 8.230 nan 0.000 0.432 607 S N -0.913 114.811 115.700 0.039 0.000 2.359 607 S HA -0.306 4.164 4.470 -0.000 0.000 0.224 607 S C 2.094 176.716 174.600 0.038 0.000 1.035 607 S CA 1.678 59.887 58.200 0.016 0.000 1.018 607 S CB -0.469 62.741 63.200 0.017 0.000 0.876 607 S HN 0.702 nan 8.310 nan 0.000 0.448 608 E N 0.146 120.405 120.200 0.098 0.000 2.072 608 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 608 E C 2.176 178.829 176.600 0.089 0.000 0.985 608 E CA 1.112 57.599 56.400 0.146 0.000 0.801 608 E CB -0.328 29.504 29.700 0.221 0.000 0.750 608 E HN 0.482 nan 8.360 nan 0.000 0.452 609 L N 1.338 122.603 121.223 0.070 0.000 2.012 609 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 609 L C 2.236 179.104 176.870 -0.003 0.000 1.073 609 L CA 1.878 56.739 54.840 0.034 0.000 0.748 609 L CB -0.722 41.370 42.059 0.054 0.000 0.891 609 L HN 0.220 nan 8.230 nan 0.000 0.431 610 R N -0.255 120.240 120.500 -0.008 0.000 2.091 610 R HA -0.228 4.112 4.340 -0.000 0.000 0.238 610 R C 2.148 178.400 176.300 -0.079 0.000 1.136 610 R CA 1.711 57.788 56.100 -0.037 0.000 0.959 610 R CB -0.309 29.967 30.300 -0.040 0.000 0.856 610 R HN 0.533 nan 8.270 nan 0.000 0.437 611 E N 0.541 120.682 120.200 -0.099 0.000 2.110 611 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 611 E C 1.916 178.426 176.600 -0.150 0.000 0.988 611 E CA 1.080 57.345 56.400 -0.225 0.000 0.804 611 E CB 0.009 29.581 29.700 -0.213 0.000 0.745 611 E HN 0.363 nan 8.360 nan 0.000 0.458 612 A N 1.282 124.120 122.820 0.030 0.000 1.877 612 A HA -0.106 4.213 4.320 -0.000 0.000 0.216 612 A C 2.416 180.045 177.584 0.074 0.000 1.186 612 A CA 1.861 53.979 52.037 0.136 0.000 0.620 612 A CB -0.845 18.191 19.000 0.060 0.000 0.822 612 A HN 0.408 nan 8.150 nan 0.000 0.443 613 A N -0.059 122.756 122.820 -0.007 0.000 1.933 613 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 613 A C 1.751 179.324 177.584 -0.019 0.000 1.175 613 A CA 1.910 53.941 52.037 -0.010 0.000 0.628 613 A CB -0.598 18.389 19.000 -0.023 0.000 0.814 613 A HN 0.470 nan 8.150 nan 0.000 0.444 614 D N -0.776 119.569 120.400 -0.091 0.000 2.117 614 D HA -0.117 4.522 4.640 -0.000 0.000 0.197 614 D C 1.646 177.828 176.300 -0.196 0.000 0.987 614 D CA 0.965 54.862 54.000 -0.170 0.000 0.829 614 D CB -0.489 40.129 40.800 -0.302 0.000 0.961 614 D HN 0.572 nan 8.370 nan 0.000 0.460 615 F N 0.828 120.649 119.950 -0.214 0.000 2.095 615 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 615 F C 2.657 178.314 175.800 -0.238 0.000 1.104 615 F CA 0.678 58.467 58.000 -0.351 0.000 1.232 615 F CB -0.133 38.741 39.000 -0.209 0.000 0.987 615 F HN 0.050 nan 8.300 nan 0.000 0.475 616 C N -0.060 119.317 119.300 0.127 0.000 2.432 616 C HA -0.153 4.307 4.460 -0.000 0.000 0.277 616 C C 2.682 177.728 174.990 0.094 0.000 1.249 616 C CA 0.806 59.898 59.018 0.124 0.000 1.725 616 C CB -1.161 26.634 27.740 0.092 0.000 2.028 616 C HN 0.388 nan 8.230 nan 0.000 0.477 617 R N -0.778 119.755 120.500 0.055 0.000 2.092 617 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 617 R C 2.207 178.527 176.300 0.034 0.000 1.119 617 R CA 1.476 57.604 56.100 0.047 0.000 0.970 617 R CB -0.567 29.759 30.300 0.043 0.000 0.864 617 R HN 0.674 nan 8.270 nan 0.000 0.440 618 Y N 0.486 120.706 120.300 -0.133 0.000 2.163 618 Y HA -0.241 4.308 4.550 -0.000 0.000 0.288 618 Y C 1.808 177.693 175.900 -0.025 0.000 1.136 618 Y CA 1.377 59.373 58.100 -0.174 0.000 1.147 618 Y CB -0.266 37.982 38.460 -0.354 0.000 0.987 618 Y HN -0.057 nan 8.280 nan 0.000 0.509 619 Y N -0.129 120.198 120.300 0.045 0.000 2.293 619 Y HA -0.081 4.469 4.550 -0.000 0.000 0.291 619 Y C 2.623 178.491 175.900 -0.052 0.000 1.137 619 Y CA 0.483 58.568 58.100 -0.025 0.000 1.202 619 Y CB -1.454 37.058 38.460 0.088 0.000 0.990 619 Y HN 0.254 nan 8.280 nan 0.000 0.537 620 A N 0.232 123.125 122.820 0.122 0.000 1.858 620 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 620 A C 2.550 180.134 177.584 -0.000 0.000 1.190 620 A CA 2.166 54.245 52.037 0.070 0.000 0.617 620 A CB -1.234 17.805 19.000 0.065 0.000 0.827 620 A HN 0.368 nan 8.150 nan 0.000 0.443 621 A N -1.304 121.478 122.820 -0.064 0.000 1.877 621 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 621 A C 2.119 179.603 177.584 -0.168 0.000 1.186 621 A CA 1.683 53.655 52.037 -0.108 0.000 0.620 621 A CB -0.505 18.422 19.000 -0.122 0.000 0.822 621 A HN 0.502 nan 8.150 nan 0.000 0.443 622 Q N -0.505 119.127 119.800 -0.281 0.000 2.167 622 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 622 Q C 2.180 178.057 176.000 -0.205 0.000 0.970 622 Q CA 1.406 57.038 55.803 -0.286 0.000 0.855 622 Q CB -0.867 27.646 28.738 -0.374 0.000 0.911 622 Q HN 0.671 nan 8.270 nan 0.000 0.438 623 G N 1.088 109.843 108.800 -0.075 0.000 2.418 623 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 623 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 623 G C 1.601 176.504 174.900 0.005 0.000 1.158 623 G CA 0.447 45.582 45.100 0.058 0.000 0.771 623 G HN 0.258 nan 8.290 nan 0.000 0.545 624 R N 0.339 120.824 120.500 -0.025 0.000 2.066 624 R HA 0.005 4.345 4.340 -0.000 0.000 0.232 624 R C 2.663 178.915 176.300 -0.080 0.000 1.131 624 R CA 1.299 57.382 56.100 -0.028 0.000 0.955 624 R CB -0.290 29.994 30.300 -0.025 0.000 0.851 624 R HN 0.286 nan 8.270 nan 0.000 0.432 625 K N 0.348 120.673 120.400 -0.124 0.000 2.063 625 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 625 K C 2.019 178.499 176.600 -0.201 0.000 1.048 625 K CA 1.222 57.424 56.287 -0.142 0.000 0.928 625 K CB -0.161 32.249 32.500 -0.150 0.000 0.713 625 K HN 0.034 nan 8.250 nan 0.000 0.442 626 L N -0.565 120.442 121.223 -0.360 0.000 2.168 626 L HA 0.064 4.404 4.340 -0.000 0.000 0.203 626 L C 1.330 177.891 176.870 -0.516 0.000 1.078 626 L CA 1.539 56.035 54.840 -0.573 0.000 0.780 626 L CB 0.027 41.475 42.059 -1.019 0.000 0.939 626 L HN 0.054 nan 8.230 nan 0.000 0.451 627 F N -1.638 118.285 119.950 -0.045 0.000 2.678 627 F HA 0.342 4.868 4.527 -0.000 0.000 0.305 627 F C 2.118 177.884 175.800 -0.057 0.000 1.090 627 F CA 0.221 58.190 58.000 -0.052 0.000 1.272 627 F CB -0.450 38.509 39.000 -0.069 0.000 1.060 627 F HN 0.055 nan 8.300 nan 0.000 0.576 628 G N 0.259 109.090 108.800 0.050 0.000 2.422 628 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.218 628 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.218 628 G C 0.550 175.457 174.900 0.010 0.000 1.146 628 G CA 1.060 46.171 45.100 0.020 0.000 0.769 628 G HN 0.377 nan 8.290 nan 0.000 0.547 629 S N -1.128 114.575 115.700 0.005 0.000 2.615 629 S HA 0.459 4.929 4.470 -0.000 0.000 0.269 629 S C -0.784 173.819 174.600 0.005 0.000 1.161 629 S CA -0.730 57.472 58.200 0.003 0.000 0.817 629 S CB 1.734 64.930 63.200 -0.007 0.000 1.131 629 S HN 0.505 nan 8.310 nan 0.000 0.467 630 E N 0.431 120.635 120.200 0.006 0.000 2.374 630 E HA 0.451 4.801 4.350 -0.000 0.000 0.260 630 E C -0.921 175.679 176.600 0.000 0.000 1.101 630 E CA -0.541 55.865 56.400 0.009 0.000 0.907 630 E CB 0.350 30.056 29.700 0.009 0.000 1.014 630 E HN 0.494 nan 8.360 nan 0.000 0.427 631 T N 1.133 115.689 114.554 0.002 0.000 2.749 631 T HA 0.445 4.794 4.350 -0.000 0.000 0.287 631 T C -0.263 174.438 174.700 0.002 0.000 0.970 631 T CA -0.520 61.579 62.100 -0.002 0.000 0.980 631 T CB 1.160 70.026 68.868 -0.003 0.000 0.924 631 T HN 0.616 nan 8.240 nan 0.000 0.456 632 A N 5.649 128.469 122.820 -0.000 0.000 2.409 632 A HA 0.597 4.917 4.320 -0.000 0.000 0.262 632 A C 0.360 177.945 177.584 0.002 0.000 1.113 632 A CA -0.504 51.534 52.037 0.001 0.000 0.790 632 A CB 0.032 19.032 19.000 -0.000 0.000 1.046 632 A HN 0.695 nan 8.150 nan 0.000 0.496 633 M N 3.706 123.308 119.600 0.003 0.000 2.423 633 M HA 0.370 4.850 4.480 -0.000 0.000 0.335 633 M C -2.168 174.134 176.300 0.003 0.000 1.177 633 M CA -2.477 52.826 55.300 0.004 0.000 1.038 633 M CB 0.564 33.167 32.600 0.005 0.000 1.641 633 M HN 0.505 nan 8.290 nan 0.000 0.455 634 P HA 0.492 nan 4.420 nan 0.000 0.269 634 P C -0.259 177.042 177.300 0.003 0.000 1.209 634 P CA 0.032 63.133 63.100 0.003 0.000 0.776 634 P CB 0.880 32.582 31.700 0.003 0.000 0.876 635 G N 1.495 110.296 108.800 0.002 0.000 2.488 635 G HA2 0.504 4.464 3.960 -0.000 0.000 0.301 635 G HA3 0.504 4.464 3.960 -0.000 0.000 0.301 635 G C -3.080 171.821 174.900 0.002 0.000 1.339 635 G CA -0.839 44.262 45.100 0.002 0.000 0.803 635 G HN 0.507 nan 8.290 nan 0.000 0.482 636 P HA 0.383 nan 4.420 nan 0.000 0.274 636 P C 0.260 177.561 177.300 0.001 0.000 1.237 636 P CA -0.123 62.978 63.100 0.002 0.000 0.793 636 P CB 0.834 32.535 31.700 0.002 0.000 0.977 637 T N -0.449 114.106 114.554 0.001 0.000 2.855 637 T HA 0.336 4.686 4.350 -0.000 0.000 0.314 637 T C 1.253 175.954 174.700 0.001 0.000 1.077 637 T CA 1.373 63.474 62.100 0.001 0.000 1.095 637 T CB -0.725 68.144 68.868 0.001 0.000 0.987 637 T HN 0.853 nan 8.240 nan 0.000 0.546 638 G N 1.992 110.793 108.800 0.001 0.000 2.153 638 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.252 638 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.252 638 G C -0.088 174.813 174.900 0.001 0.000 0.994 638 G CA 0.665 45.766 45.100 0.001 0.000 0.698 638 G HN 0.954 nan 8.290 nan 0.000 0.521 639 E N -0.283 119.918 120.200 0.001 0.000 2.335 639 E HA 0.557 4.907 4.350 -0.000 0.000 0.280 639 E C -0.278 176.323 176.600 0.002 0.000 0.918 639 E CA -0.144 56.257 56.400 0.002 0.000 0.765 639 E CB 1.431 31.132 29.700 0.002 0.000 1.218 639 E HN 0.548 nan 8.360 nan 0.000 0.425 640 S N 3.455 119.156 115.700 0.002 0.000 2.501 640 S HA 0.611 5.080 4.470 -0.000 0.000 0.301 640 S C -0.595 174.007 174.600 0.003 0.000 1.096 640 S CA -0.850 57.352 58.200 0.002 0.000 1.063 640 S CB 1.244 64.445 63.200 0.002 0.000 1.042 640 S HN 0.479 nan 8.310 nan 0.000 0.494 641 N N 1.062 119.765 118.700 0.004 0.000 2.480 641 N HA 0.562 5.302 4.740 -0.000 0.000 0.289 641 N C -1.521 173.992 175.510 0.006 0.000 1.073 641 N CA -0.379 52.674 53.050 0.005 0.000 0.885 641 N CB 2.112 40.602 38.487 0.005 0.000 1.421 641 N HN 0.887 nan 8.380 nan 0.000 0.503 642 A N 2.034 124.858 122.820 0.007 0.000 2.374 642 A HA 0.586 4.906 4.320 -0.000 0.000 0.305 642 A C -1.140 176.452 177.584 0.012 0.000 1.053 642 A CA -0.604 51.438 52.037 0.008 0.000 0.726 642 A CB 1.324 20.328 19.000 0.007 0.000 1.229 642 A HN 0.516 nan 8.150 nan 0.000 0.431 643 L N 2.920 124.152 121.223 0.014 0.000 2.282 643 L HA 0.757 5.097 4.340 -0.000 0.000 0.288 643 L C 0.373 177.260 176.870 0.028 0.000 1.033 643 L CA 0.481 55.334 54.840 0.021 0.000 0.807 643 L CB 1.408 43.478 42.059 0.019 0.000 1.209 643 L HN 0.870 nan 8.230 nan 0.000 0.423 644 T N 2.529 117.107 114.554 0.040 0.000 2.916 644 T HA 0.708 5.058 4.350 -0.000 0.000 0.292 644 T C -0.439 174.314 174.700 0.089 0.000 1.064 644 T CA -1.046 61.088 62.100 0.058 0.000 1.011 644 T CB 1.621 70.516 68.868 0.045 0.000 1.152 644 T HN 0.429 nan 8.240 nan 0.000 0.510 645 M N 1.988 121.676 119.600 0.147 0.000 2.190 645 M HA 0.489 4.969 4.480 -0.000 0.000 0.312 645 M C -0.491 175.898 176.300 0.148 0.000 0.990 645 M CA -0.471 54.957 55.300 0.213 0.000 0.927 645 M CB 2.018 34.869 32.600 0.418 0.000 1.571 645 M HN 0.698 nan 8.290 nan 0.000 0.427 646 R N 0.328 120.877 120.500 0.081 0.000 2.854 646 R HA 0.735 5.075 4.340 -0.000 0.000 0.271 646 R C 0.476 176.794 176.300 0.031 0.000 0.996 646 R CA -0.945 55.164 56.100 0.015 0.000 0.961 646 R CB 1.531 31.858 30.300 0.044 0.000 1.182 646 R HN 0.867 nan 8.270 nan 0.000 0.479 647 G N 0.655 109.475 108.800 0.032 0.000 2.559 647 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.235 647 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.235 647 G C 0.308 175.409 174.900 0.335 0.000 1.266 647 G CA -0.232 44.994 45.100 0.211 0.000 0.847 647 G HN 0.589 nan 8.290 nan 0.000 0.583 648 R N 0.946 121.580 120.500 0.223 0.000 2.112 648 R HA 0.294 4.634 4.340 -0.000 0.000 0.216 648 R C 1.535 177.635 176.300 -0.333 0.000 1.080 648 R CA 0.983 57.114 56.100 0.053 0.000 0.996 648 R CB 0.233 30.592 30.300 0.099 0.000 0.902 648 R HN 0.787 nan 8.270 nan 0.000 0.449 649 G N -0.400 107.982 108.800 -0.696 0.000 2.553 649 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.106 649 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.106 649 G C -1.482 173.055 174.900 -0.604 0.000 1.126 649 G CA -0.733 43.529 45.100 -1.397 0.000 1.075 649 G HN -0.074 nan 8.290 nan 0.000 0.472 650 V N 1.691 121.390 119.914 -0.359 0.000 2.364 650 V HA 0.569 4.689 4.120 -0.000 0.000 0.272 650 V C -0.598 175.443 176.094 -0.088 0.000 1.036 650 V CA -0.164 62.064 62.300 -0.119 0.000 0.880 650 V CB 0.648 32.384 31.823 -0.145 0.000 0.991 650 V HN 0.430 nan 8.190 nan 0.000 0.460 651 F N 3.759 123.685 119.950 -0.041 0.000 2.404 651 F HA 0.452 4.979 4.527 -0.000 0.000 0.345 651 F C 0.345 176.145 175.800 0.000 0.000 1.110 651 F CA -0.236 57.762 58.000 -0.004 0.000 1.130 651 F CB 1.723 40.768 39.000 0.076 0.000 1.129 651 F HN 0.194 nan 8.300 nan 0.000 0.500 652 V N 4.424 124.397 119.914 0.100 0.000 2.406 652 V HA 0.543 4.663 4.120 -0.000 0.000 0.272 652 V C 0.015 176.224 176.094 0.192 0.000 1.043 652 V CA -0.682 61.680 62.300 0.104 0.000 0.915 652 V CB 0.898 32.740 31.823 0.032 0.000 0.988 652 V HN 0.813 nan 8.190 nan 0.000 0.466 653 A N 7.174 130.092 122.820 0.162 0.000 2.271 653 A HA 0.838 5.158 4.320 -0.000 0.000 0.317 653 A C -0.630 177.041 177.584 0.145 0.000 1.245 653 A CA -0.427 51.696 52.037 0.143 0.000 0.857 653 A CB 0.357 19.371 19.000 0.023 0.000 1.175 653 A HN 0.781 nan 8.150 nan 0.000 0.512 654 I N 2.767 123.450 120.570 0.188 0.000 2.406 654 I HA 0.399 4.569 4.170 -0.000 0.000 0.290 654 I C 0.271 176.447 176.117 0.098 0.000 0.999 654 I CA -0.210 61.216 61.300 0.210 0.000 1.124 654 I CB 2.243 40.459 38.000 0.360 0.000 1.289 654 I HN 0.715 nan 8.210 nan 0.000 0.441 655 S N 6.213 121.983 115.700 0.117 0.000 2.600 655 S HA 0.795 5.264 4.470 -0.000 0.000 0.300 655 S C -2.878 171.745 174.600 0.039 0.000 1.087 655 S CA -1.539 56.703 58.200 0.070 0.000 0.965 655 S CB 2.201 65.540 63.200 0.233 0.000 1.089 655 S HN 0.229 nan 8.310 nan 0.000 0.496 656 P HA 0.377 nan 4.420 nan 0.000 0.287 656 P C 0.635 177.922 177.300 -0.022 0.000 1.296 656 P CA -0.889 62.138 63.100 -0.121 0.000 0.811 656 P CB 0.438 31.952 31.700 -0.311 0.000 1.211 657 W N 0.761 122.090 121.300 0.049 0.000 2.863 657 W HA 0.014 4.674 4.660 -0.000 0.000 0.258 657 W C 0.753 177.290 176.519 0.029 0.000 1.298 657 W CA 0.550 57.919 57.345 0.039 0.000 1.451 657 W CB -1.473 28.000 29.460 0.022 0.000 1.107 657 W HN 0.255 nan 8.180 nan 0.000 0.641 658 N N 1.508 119.951 118.700 -0.429 0.000 2.376 658 N HA -0.122 4.618 4.740 -0.000 0.000 0.177 658 N C -0.242 174.985 175.510 -0.472 0.000 1.024 658 N CA 0.511 53.305 53.050 -0.427 0.000 0.893 658 N CB -1.068 36.970 38.487 -0.748 0.000 0.980 658 N HN 0.062 nan 8.380 nan 0.000 0.439 659 F N 0.481 120.411 119.950 -0.032 0.000 2.550 659 F HA 0.445 4.972 4.527 -0.000 0.000 0.348 659 F C -1.798 174.049 175.800 0.078 0.000 1.219 659 F CA -2.052 55.970 58.000 0.037 0.000 1.203 659 F CB 2.116 41.131 39.000 0.025 0.000 1.436 659 F HN -0.109 nan 8.300 nan 0.000 0.541 660 P HA -0.102 nan 4.420 nan 0.000 0.225 660 P C 1.442 178.842 177.300 0.167 0.000 1.156 660 P CA 0.813 64.009 63.100 0.160 0.000 0.787 660 P CB 0.689 32.459 31.700 0.116 0.000 0.802 661 L N -0.948 120.401 121.223 0.210 0.000 2.347 661 L HA 0.412 4.752 4.340 -0.000 0.000 0.196 661 L C 2.274 179.305 176.870 0.268 0.000 1.072 661 L CA 1.331 56.300 54.840 0.216 0.000 0.817 661 L CB -1.337 40.828 42.059 0.177 0.000 1.029 661 L HN -0.165 nan 8.230 nan 0.000 0.478 662 A N -0.156 122.827 122.820 0.272 0.000 1.897 662 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 662 A C 2.211 179.935 177.584 0.234 0.000 1.181 662 A CA 1.744 53.959 52.037 0.296 0.000 0.620 662 A CB -0.715 18.464 19.000 0.298 0.000 0.821 662 A HN 0.457 nan 8.150 nan 0.000 0.443 663 I N -1.775 118.914 120.570 0.199 0.000 2.406 663 I HA -0.141 4.029 4.170 -0.000 0.000 0.249 663 I C 2.319 178.455 176.117 0.031 0.000 1.122 663 I CA 1.042 62.369 61.300 0.045 0.000 1.431 663 I CB -0.356 37.699 38.000 0.091 0.000 1.087 663 I HN 0.460 nan 8.210 nan 0.000 0.424 664 F N 1.977 121.938 119.950 0.018 0.000 2.069 664 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 664 F C 2.236 178.024 175.800 -0.020 0.000 1.113 664 F CA 1.857 59.867 58.000 0.016 0.000 1.214 664 F CB -0.278 38.754 39.000 0.053 0.000 0.978 664 F HN -0.122 nan 8.300 nan 0.000 0.474 665 L N -0.245 121.025 121.223 0.078 0.000 2.156 665 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 665 L C 2.741 179.513 176.870 -0.164 0.000 1.095 665 L CA 0.999 55.813 54.840 -0.043 0.000 0.770 665 L CB -1.424 40.704 42.059 0.116 0.000 0.914 665 L HN 0.386 nan 8.230 nan 0.000 0.439 666 G N -0.538 108.062 108.800 -0.333 0.000 2.480 666 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 666 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 666 G C 1.446 176.172 174.900 -0.289 0.000 1.200 666 G CA 0.419 45.107 45.100 -0.686 0.000 0.782 666 G HN 0.371 nan 8.290 nan 0.000 0.554 667 Q N -0.244 119.404 119.800 -0.253 0.000 2.084 667 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 667 Q C 2.868 178.711 176.000 -0.261 0.000 0.978 667 Q CA 1.360 57.083 55.803 -0.134 0.000 0.844 667 Q CB -0.311 28.396 28.738 -0.050 0.000 0.898 667 Q HN 0.381 nan 8.270 nan 0.000 0.426 668 V N 1.158 120.872 119.914 -0.332 0.000 2.307 668 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 668 V C 2.622 178.558 176.094 -0.264 0.000 1.045 668 V CA 2.216 64.312 62.300 -0.340 0.000 1.024 668 V CB -0.995 30.521 31.823 -0.512 0.000 0.651 668 V HN 0.613 nan 8.190 nan 0.000 0.449 669 T N -1.478 112.959 114.554 -0.195 0.000 2.951 669 T HA -0.022 4.328 4.350 -0.000 0.000 0.268 669 T C 1.897 176.478 174.700 -0.197 0.000 1.073 669 T CA 1.228 63.273 62.100 -0.092 0.000 1.134 669 T CB -0.306 68.598 68.868 0.061 0.000 0.884 669 T HN 0.426 nan 8.240 nan 0.000 0.479 670 A N 2.123 124.669 122.820 -0.456 0.000 1.858 670 A HA 0.304 4.623 4.320 -0.000 0.000 0.216 670 A C 2.863 179.826 177.584 -1.035 0.000 1.190 670 A CA 1.956 53.429 52.037 -0.940 0.000 0.617 670 A CB -1.509 16.695 19.000 -1.328 0.000 0.827 670 A HN 0.739 nan 8.150 nan 0.000 0.443 671 A N -0.305 121.878 122.820 -1.062 0.000 1.883 671 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 671 A C 2.207 179.629 177.584 -0.271 0.000 1.186 671 A CA 1.592 53.178 52.037 -0.751 0.000 0.624 671 A CB -0.691 18.032 19.000 -0.463 0.000 0.822 671 A HN 0.477 nan 8.150 nan 0.000 0.444 672 L N -1.841 119.305 121.223 -0.127 0.000 2.046 672 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 672 L C 2.768 179.792 176.870 0.257 0.000 1.077 672 L CA 1.826 56.780 54.840 0.191 0.000 0.747 672 L CB -0.434 41.683 42.059 0.096 0.000 0.896 672 L HN 0.478 nan 8.230 nan 0.000 0.432 673 M N 0.172 119.782 119.600 0.017 0.000 2.159 673 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 673 M C 2.028 178.185 176.300 -0.239 0.000 1.063 673 M CA 1.943 57.235 55.300 -0.013 0.000 1.110 673 M CB -0.428 32.194 32.600 0.037 0.000 1.374 673 M HN 0.162 nan 8.290 nan 0.000 0.411 674 A N -1.026 121.576 122.820 -0.362 0.000 2.235 674 A HA 0.431 4.750 4.320 -0.000 0.000 0.208 674 A C 1.585 178.819 177.584 -0.584 0.000 1.172 674 A CA 0.679 52.259 52.037 -0.762 0.000 0.786 674 A CB -1.316 17.478 19.000 -0.343 0.000 0.804 674 A HN 1.015 nan 8.150 nan 0.000 0.479 675 G N -0.718 107.899 108.800 -0.305 0.000 2.132 675 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.228 675 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.228 675 G C -0.267 174.767 174.900 0.223 0.000 1.000 675 G CA 0.001 44.965 45.100 -0.226 0.000 0.693 675 G HN 0.520 nan 8.290 nan 0.000 0.515 676 N N 0.544 119.449 118.700 0.341 0.000 2.492 676 N HA 0.570 5.310 4.740 -0.000 0.000 0.289 676 N C 0.565 176.380 175.510 0.509 0.000 1.133 676 N CA 0.273 53.612 53.050 0.481 0.000 0.961 676 N CB 1.567 40.265 38.487 0.352 0.000 1.186 676 N HN 0.513 nan 8.380 nan 0.000 0.493 677 S N -0.255 115.727 115.700 0.470 0.000 2.632 677 S HA 0.579 5.048 4.470 -0.000 0.000 0.267 677 S C 0.001 174.712 174.600 0.185 0.000 1.276 677 S CA -0.614 57.740 58.200 0.257 0.000 0.998 677 S CB 1.134 64.502 63.200 0.281 0.000 0.953 677 S HN 0.275 nan 8.310 nan 0.000 0.547 678 V N 1.148 121.137 119.914 0.125 0.000 2.760 678 V HA 0.462 4.582 4.120 -0.000 0.000 0.309 678 V C -0.857 175.324 176.094 0.144 0.000 1.077 678 V CA -0.788 61.583 62.300 0.119 0.000 0.910 678 V CB 2.057 33.902 31.823 0.037 0.000 1.008 678 V HN 0.840 nan 8.190 nan 0.000 0.424 679 V N 3.632 123.619 119.914 0.121 0.000 2.357 679 V HA 0.777 4.897 4.120 -0.000 0.000 0.284 679 V C 0.359 176.522 176.094 0.115 0.000 1.018 679 V CA -0.416 61.959 62.300 0.125 0.000 0.841 679 V CB 1.501 33.353 31.823 0.048 0.000 0.991 679 V HN 1.001 nan 8.190 nan 0.000 0.437 680 A N 5.140 128.045 122.820 0.141 0.000 2.304 680 A HA 0.776 5.096 4.320 -0.000 0.000 0.323 680 A C -0.227 177.496 177.584 0.232 0.000 1.195 680 A CA -0.638 51.493 52.037 0.156 0.000 0.826 680 A CB 1.055 20.122 19.000 0.112 0.000 1.184 680 A HN 0.524 nan 8.150 nan 0.000 0.496 681 K N 3.538 124.072 120.400 0.222 0.000 2.449 681 K HA 0.462 4.782 4.320 -0.000 0.000 0.257 681 K C -3.015 173.733 176.600 0.247 0.000 0.989 681 K CA -2.040 54.373 56.287 0.211 0.000 0.916 681 K CB 1.683 34.283 32.500 0.166 0.000 1.136 681 K HN 0.420 nan 8.250 nan 0.000 0.439 682 P HA 0.199 nan 4.420 nan 0.000 0.278 682 P C -0.865 176.534 177.300 0.166 0.000 1.258 682 P CA -0.636 62.594 63.100 0.216 0.000 0.811 682 P CB 0.548 32.291 31.700 0.071 0.000 1.063 683 A N 0.795 123.716 122.820 0.168 0.000 2.540 683 A HA -0.039 4.281 4.320 -0.000 0.000 0.239 683 A C 1.534 179.206 177.584 0.147 0.000 1.061 683 A CA 0.023 52.172 52.037 0.187 0.000 0.758 683 A CB -0.680 18.482 19.000 0.270 0.000 0.991 683 A HN 0.719 nan 8.150 nan 0.000 0.502 684 E N 0.979 121.258 120.200 0.131 0.000 2.209 684 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 684 E C 1.417 178.050 176.600 0.054 0.000 0.993 684 E CA 1.808 58.257 56.400 0.082 0.000 0.819 684 E CB 0.055 29.796 29.700 0.068 0.000 0.745 684 E HN 0.851 nan 8.360 nan 0.000 0.477 685 Q N -0.788 119.051 119.800 0.064 0.000 2.378 685 Q HA -0.030 4.310 4.340 -0.000 0.000 0.205 685 Q C 0.707 176.727 176.000 0.034 0.000 0.954 685 Q CA 1.366 57.175 55.803 0.011 0.000 0.901 685 Q CB 0.640 29.337 28.738 -0.070 0.000 0.981 685 Q HN 0.167 nan 8.270 nan 0.000 0.483 686 T N -4.291 110.305 114.554 0.071 0.000 3.732 686 T HA 0.340 4.690 4.350 -0.000 0.000 0.234 686 T C -2.577 172.123 174.700 -0.001 0.000 1.146 686 T CA -1.408 60.720 62.100 0.047 0.000 1.454 686 T CB 0.838 69.764 68.868 0.096 0.000 0.910 686 T HN -0.126 nan 8.240 nan 0.000 0.640 687 P HA 0.078 nan 4.420 nan 0.000 0.221 687 P C 2.064 179.328 177.300 -0.061 0.000 1.155 687 P CA 0.967 64.047 63.100 -0.032 0.000 0.812 687 P CB 0.082 31.782 31.700 0.000 0.000 0.801 688 R N 0.308 120.781 120.500 -0.045 0.000 2.070 688 R HA -0.119 4.221 4.340 -0.000 0.000 0.233 688 R C 2.107 178.371 176.300 -0.060 0.000 1.137 688 R CA 1.939 58.012 56.100 -0.046 0.000 0.945 688 R CB -2.242 28.031 30.300 -0.045 0.000 0.845 688 R HN 0.212 nan 8.270 nan 0.000 0.430 689 I N 0.321 120.854 120.570 -0.061 0.000 2.286 689 I HA -0.096 4.074 4.170 -0.000 0.000 0.248 689 I C 2.681 178.737 176.117 -0.102 0.000 1.115 689 I CA 1.502 62.786 61.300 -0.026 0.000 1.392 689 I CB -0.373 37.640 38.000 0.022 0.000 1.065 689 I HN 0.439 nan 8.210 nan 0.000 0.418 690 A N 0.389 123.024 122.820 -0.310 0.000 1.902 690 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 690 A C 2.553 179.919 177.584 -0.364 0.000 1.181 690 A CA 1.945 53.525 52.037 -0.762 0.000 0.623 690 A CB -0.734 17.726 19.000 -0.899 0.000 0.818 690 A HN 0.508 nan 8.150 nan 0.000 0.443 691 R N -0.425 119.986 120.500 -0.148 0.000 2.092 691 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 691 R C 1.910 178.223 176.300 0.022 0.000 1.119 691 R CA 1.402 57.485 56.100 -0.028 0.000 0.970 691 R CB -0.167 30.131 30.300 -0.003 0.000 0.864 691 R HN 0.508 nan 8.270 nan 0.000 0.440 692 E N 0.239 120.461 120.200 0.036 0.000 2.110 692 E HA -0.173 4.176 4.350 -0.000 0.000 0.193 692 E C 1.859 178.612 176.600 0.255 0.000 0.988 692 E CA 1.266 57.733 56.400 0.111 0.000 0.804 692 E CB -0.128 29.599 29.700 0.044 0.000 0.745 692 E HN 0.476 nan 8.360 nan 0.000 0.458 693 A N 1.042 124.008 122.820 0.243 0.000 1.898 693 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 693 A C 2.598 180.279 177.584 0.162 0.000 1.181 693 A CA 1.135 53.321 52.037 0.248 0.000 0.620 693 A CB -0.607 18.527 19.000 0.223 0.000 0.819 693 A HN 0.115 nan 8.150 nan 0.000 0.442 694 V N -0.026 119.960 119.914 0.118 0.000 2.343 694 V HA -0.249 3.870 4.120 -0.000 0.000 0.247 694 V C 3.057 179.029 176.094 -0.203 0.000 1.051 694 V CA 1.880 64.149 62.300 -0.052 0.000 1.036 694 V CB -1.199 30.620 31.823 -0.006 0.000 0.654 694 V HN 0.612 nan 8.190 nan 0.000 0.451 695 A N -0.300 122.521 122.820 0.000 0.000 1.908 695 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 695 A C 2.255 179.883 177.584 0.072 0.000 1.181 695 A CA 2.222 54.305 52.037 0.076 0.000 0.627 695 A CB -0.582 18.474 19.000 0.093 0.000 0.818 695 A HN 0.522 nan 8.150 nan 0.000 0.445 696 L N -0.674 120.606 121.223 0.096 0.000 2.083 696 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 696 L C 2.356 179.251 176.870 0.043 0.000 1.083 696 L CA 1.226 56.129 54.840 0.105 0.000 0.752 696 L CB -0.181 41.982 42.059 0.172 0.000 0.899 696 L HN 0.416 nan 8.230 nan 0.000 0.433 697 L N -1.099 120.107 121.223 -0.028 0.000 2.056 697 L HA -0.221 4.118 4.340 -0.000 0.000 0.207 697 L C 2.721 179.558 176.870 -0.054 0.000 1.078 697 L CA 0.811 55.607 54.840 -0.074 0.000 0.749 697 L CB -0.910 41.056 42.059 -0.155 0.000 0.901 697 L HN 0.394 nan 8.230 nan 0.000 0.433 698 H N -0.341 118.713 119.070 -0.027 0.000 2.319 698 H HA -0.230 4.326 4.556 -0.000 0.000 0.299 698 H C 2.090 177.403 175.328 -0.024 0.000 1.092 698 H CA 1.725 57.739 56.048 -0.056 0.000 1.302 698 H CB -0.221 29.506 29.762 -0.058 0.000 1.373 698 H HN 0.403 nan 8.280 nan 0.000 0.497 699 E N 0.587 120.868 120.200 0.134 0.000 2.204 699 E HA -0.094 4.255 4.350 -0.000 0.000 0.195 699 E C 1.998 178.643 176.600 0.075 0.000 0.990 699 E CA 0.765 57.218 56.400 0.088 0.000 0.821 699 E CB 0.048 29.796 29.700 0.080 0.000 0.750 699 E HN 0.409 nan 8.360 nan 0.000 0.477 700 A N -0.339 122.523 122.820 0.071 0.000 2.169 700 A HA 0.236 4.556 4.320 -0.000 0.000 0.212 700 A C 1.710 179.337 177.584 0.072 0.000 1.153 700 A CA 0.990 53.069 52.037 0.071 0.000 0.756 700 A CB 0.079 19.119 19.000 0.067 0.000 0.813 700 A HN 0.463 nan 8.150 nan 0.000 0.471 701 G N -1.461 107.378 108.800 0.066 0.000 2.370 701 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.174 701 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.174 701 G C -0.118 174.811 174.900 0.050 0.000 1.002 701 G CA -0.162 44.984 45.100 0.077 0.000 0.730 701 G HN 0.182 nan 8.290 nan 0.000 0.497 702 I N 2.586 123.141 120.570 -0.025 0.000 2.436 702 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 702 I C -1.937 174.101 176.117 -0.132 0.000 1.083 702 I CA -2.473 58.692 61.300 -0.226 0.000 1.372 702 I CB 0.176 38.023 38.000 -0.254 0.000 1.408 702 I HN -0.102 nan 8.210 nan 0.000 0.516 703 P HA 0.048 nan 4.420 nan 0.000 0.266 703 P C 0.767 177.927 177.300 -0.233 0.000 1.195 703 P CA -0.246 62.756 63.100 -0.164 0.000 0.768 703 P CB 0.625 32.261 31.700 -0.107 0.000 0.838 704 K N 1.385 121.576 120.400 -0.348 0.000 2.160 704 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 704 K C 1.680 177.980 176.600 -0.500 0.000 1.047 704 K CA 2.011 57.945 56.287 -0.588 0.000 0.930 704 K CB -0.899 31.306 32.500 -0.492 0.000 0.720 704 K HN 0.595 nan 8.250 nan 0.000 0.450 705 S N -0.144 115.417 115.700 -0.230 0.000 2.561 705 S HA 0.106 4.576 4.470 -0.000 0.000 0.225 705 S C 1.808 176.434 174.600 0.043 0.000 0.977 705 S CA 0.592 58.783 58.200 -0.016 0.000 0.926 705 S CB 0.183 63.428 63.200 0.075 0.000 0.769 705 S HN 0.251 nan 8.310 nan 0.000 0.533 706 A N 0.164 122.890 122.820 -0.156 0.000 2.252 706 A HA 0.650 4.969 4.320 -0.000 0.000 0.213 706 A C 0.302 177.789 177.584 -0.161 0.000 1.188 706 A CA -0.112 51.810 52.037 -0.193 0.000 0.863 706 A CB 0.088 18.691 19.000 -0.662 0.000 0.893 706 A HN 0.555 nan 8.150 nan 0.000 0.495 707 L N -0.640 120.457 121.223 -0.210 0.000 2.528 707 L HA 0.640 4.979 4.340 -0.000 0.000 0.267 707 L C -2.233 174.509 176.870 -0.213 0.000 0.961 707 L CA -0.652 54.118 54.840 -0.117 0.000 0.866 707 L CB 1.235 43.198 42.059 -0.159 0.000 1.248 707 L HN 0.163 nan 8.230 nan 0.000 0.404 708 Y N 4.678 125.023 120.300 0.074 0.000 2.425 708 Y HA 0.653 5.202 4.550 -0.000 0.000 0.344 708 Y C -0.664 175.299 175.900 0.105 0.000 0.969 708 Y CA -0.805 57.354 58.100 0.098 0.000 1.052 708 Y CB 2.179 40.675 38.460 0.061 0.000 1.215 708 Y HN 0.553 nan 8.280 nan 0.000 0.451 709 L N 3.816 125.194 121.223 0.257 0.000 2.275 709 L HA 0.715 5.055 4.340 -0.000 0.000 0.288 709 L C -1.103 175.881 176.870 0.189 0.000 1.046 709 L CA -0.421 54.551 54.840 0.220 0.000 0.805 709 L CB 0.928 43.097 42.059 0.183 0.000 1.193 709 L HN 0.479 nan 8.230 nan 0.000 0.426 710 V N 3.931 123.946 119.914 0.169 0.000 2.407 710 V HA 0.490 4.610 4.120 -0.000 0.000 0.291 710 V C 0.046 176.212 176.094 0.121 0.000 1.018 710 V CA -0.462 61.916 62.300 0.130 0.000 0.842 710 V CB 1.789 33.679 31.823 0.112 0.000 0.996 710 V HN 0.889 nan 8.190 nan 0.000 0.426 711 T N 1.610 116.223 114.554 0.098 0.000 2.929 711 T HA 0.952 5.301 4.350 -0.000 0.000 0.284 711 T C 0.202 174.948 174.700 0.077 0.000 1.014 711 T CA 0.072 62.224 62.100 0.086 0.000 1.051 711 T CB 2.003 70.910 68.868 0.065 0.000 1.028 711 T HN 1.436 nan 8.240 nan 0.000 0.485 712 G N 1.981 110.827 108.800 0.076 0.000 2.352 712 G HA2 0.389 4.349 3.960 -0.000 0.000 0.283 712 G HA3 0.389 4.349 3.960 -0.000 0.000 0.283 712 G C -1.587 173.359 174.900 0.077 0.000 1.308 712 G CA -0.162 44.980 45.100 0.069 0.000 0.892 712 G HN 0.989 nan 8.290 nan 0.000 0.504 713 D N -0.888 119.554 120.400 0.070 0.000 2.496 713 D HA 0.519 5.159 4.640 -0.000 0.000 0.283 713 D C 1.762 178.114 176.300 0.087 0.000 1.214 713 D CA 0.460 54.505 54.000 0.075 0.000 1.089 713 D CB -0.052 40.783 40.800 0.058 0.000 1.141 713 D HN 0.995 nan 8.370 nan 0.000 0.580 714 G N -2.059 106.793 108.800 0.086 0.000 2.509 714 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.218 714 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.218 714 G C 1.715 176.656 174.900 0.067 0.000 1.124 714 G CA 1.192 46.345 45.100 0.088 0.000 0.776 714 G HN 0.607 nan 8.290 nan 0.000 0.547 715 R N 0.633 121.169 120.500 0.058 0.000 2.090 715 R HA 0.238 4.578 4.340 -0.000 0.000 0.228 715 R C 2.212 178.548 176.300 0.060 0.000 1.110 715 R CA 1.209 57.339 56.100 0.050 0.000 0.973 715 R CB -0.726 29.598 30.300 0.041 0.000 0.869 715 R HN 0.356 nan 8.270 nan 0.000 0.440 716 I N 0.980 121.592 120.570 0.069 0.000 2.353 716 I HA -0.045 4.125 4.170 -0.000 0.000 0.248 716 I C 2.733 178.901 176.117 0.086 0.000 1.119 716 I CA 1.491 62.839 61.300 0.079 0.000 1.417 716 I CB -1.350 36.698 38.000 0.080 0.000 1.078 716 I HN 0.424 nan 8.210 nan 0.000 0.421 717 G N 0.731 109.585 108.800 0.090 0.000 2.422 717 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 717 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 717 G C 1.839 176.781 174.900 0.069 0.000 1.146 717 G CA 0.914 46.072 45.100 0.097 0.000 0.769 717 G HN 0.471 nan 8.290 nan 0.000 0.547 718 A N 1.078 123.932 122.820 0.056 0.000 1.930 718 A HA 0.338 4.657 4.320 -0.000 0.000 0.217 718 A C 2.804 180.419 177.584 0.052 0.000 1.175 718 A CA 2.041 54.100 52.037 0.037 0.000 0.627 718 A CB -0.707 18.310 19.000 0.028 0.000 0.815 718 A HN 0.727 nan 8.150 nan 0.000 0.443 719 A N 0.082 122.948 122.820 0.077 0.000 1.865 719 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 719 A C 2.176 179.830 177.584 0.117 0.000 1.191 719 A CA 1.582 53.693 52.037 0.124 0.000 0.623 719 A CB -0.711 18.381 19.000 0.152 0.000 0.826 719 A HN 0.474 nan 8.150 nan 0.000 0.444 720 L N -0.182 121.087 121.223 0.078 0.000 1.989 720 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 720 L C 3.003 179.885 176.870 0.019 0.000 1.071 720 L CA 2.039 56.898 54.840 0.031 0.000 0.749 720 L CB -1.077 41.001 42.059 0.032 0.000 0.890 720 L HN 0.669 nan 8.230 nan 0.000 0.431 721 T N -3.025 111.541 114.554 0.019 0.000 3.035 721 T HA -0.004 4.346 4.350 -0.000 0.000 0.268 721 T C 1.673 176.368 174.700 -0.008 0.000 1.109 721 T CA 0.783 62.878 62.100 -0.009 0.000 1.119 721 T CB -0.122 68.731 68.868 -0.024 0.000 0.900 721 T HN 0.316 nan 8.240 nan 0.000 0.503 722 A N 0.578 123.410 122.820 0.021 0.000 2.132 722 A HA 0.127 4.446 4.320 -0.000 0.000 0.213 722 A C 1.179 178.773 177.584 0.017 0.000 1.154 722 A CA -0.165 51.881 52.037 0.016 0.000 0.753 722 A CB -0.745 18.274 19.000 0.031 0.000 0.826 722 A HN 0.683 nan 8.150 nan 0.000 0.469 723 H N 1.569 120.592 119.070 -0.078 0.000 3.070 723 H HA 0.047 4.603 4.556 -0.000 0.000 0.313 723 H C -1.555 173.705 175.328 -0.113 0.000 0.997 723 H CA -0.953 55.007 56.048 -0.147 0.000 1.438 723 H CB 1.138 30.721 29.762 -0.299 0.000 1.455 723 H HN 0.156 nan 8.280 nan 0.000 0.575 724 P HA -0.089 nan 4.420 nan 0.000 0.228 724 P C 0.340 177.667 177.300 0.045 0.000 1.151 724 P CA 0.796 63.866 63.100 -0.050 0.000 0.770 724 P CB 0.540 32.174 31.700 -0.109 0.000 0.786 725 D N 0.005 120.563 120.400 0.264 0.000 2.360 725 D HA 0.091 4.731 4.640 -0.000 0.000 0.210 725 D C 1.271 177.544 176.300 -0.046 0.000 1.047 725 D CA -0.017 54.050 54.000 0.112 0.000 0.854 725 D CB -0.045 40.845 40.800 0.151 0.000 0.936 725 D HN 0.353 nan 8.370 nan 0.000 0.514 726 I N -2.064 118.466 120.570 -0.066 0.000 2.823 726 I HA 0.387 4.556 4.170 -0.000 0.000 0.290 726 I C 0.953 176.930 176.117 -0.233 0.000 1.091 726 I CA -0.591 60.600 61.300 -0.182 0.000 1.365 726 I CB 1.352 39.244 38.000 -0.180 0.000 1.427 726 I HN -0.251 nan 8.210 nan 0.000 0.583 727 A N 3.291 125.904 122.820 -0.345 0.000 2.382 727 A HA 0.718 5.038 4.320 -0.000 0.000 0.228 727 A C 0.818 178.039 177.584 -0.605 0.000 1.217 727 A CA 0.384 52.188 52.037 -0.387 0.000 0.923 727 A CB -0.199 18.583 19.000 -0.362 0.000 0.979 727 A HN 1.180 nan 8.150 nan 0.000 0.515 728 G N -1.776 106.501 108.800 -0.870 0.000 2.368 728 G HA2 0.478 4.438 3.960 -0.000 0.000 0.293 728 G HA3 0.478 4.438 3.960 -0.000 0.000 0.293 728 G C -1.918 172.461 174.900 -0.869 0.000 1.467 728 G CA -0.192 44.219 45.100 -1.148 0.000 0.804 728 G HN 0.503 nan 8.290 nan 0.000 0.535 729 V N 0.022 119.696 119.914 -0.400 0.000 2.577 729 V HA 0.692 4.812 4.120 -0.000 0.000 0.303 729 V C -0.525 175.685 176.094 0.194 0.000 1.042 729 V CA -0.876 61.407 62.300 -0.028 0.000 0.872 729 V CB 1.568 33.373 31.823 -0.030 0.000 0.998 729 V HN 1.047 nan 8.190 nan 0.000 0.423 730 V N 6.570 126.691 119.914 0.344 0.000 2.384 730 V HA 0.757 4.877 4.120 -0.000 0.000 0.287 730 V C -1.351 174.926 176.094 0.304 0.000 1.020 730 V CA -0.375 62.105 62.300 0.299 0.000 0.850 730 V CB 1.289 33.318 31.823 0.343 0.000 0.987 730 V HN 0.750 nan 8.190 nan 0.000 0.436 731 F N 4.887 124.906 119.950 0.115 0.000 2.556 731 F HA 0.799 5.326 4.527 -0.000 0.000 0.314 731 F C -0.439 175.422 175.800 0.101 0.000 1.106 731 F CA -0.065 57.993 58.000 0.096 0.000 0.911 731 F CB 2.449 41.490 39.000 0.069 0.000 1.190 731 F HN 0.441 nan 8.300 nan 0.000 0.448 732 T N 4.435 118.459 114.554 -0.884 0.000 2.881 732 T HA 0.776 5.126 4.350 -0.000 0.000 0.291 732 T C -0.271 173.774 174.700 -1.092 0.000 0.990 732 T CA -0.266 61.402 62.100 -0.721 0.000 0.976 732 T CB 1.144 69.865 68.868 -0.245 0.000 0.970 732 T HN 1.160 nan 8.240 nan 0.000 0.438 733 G N 1.811 110.096 108.800 -0.859 0.000 2.399 733 G HA2 0.452 4.412 3.960 -0.000 0.000 0.256 733 G HA3 0.452 4.412 3.960 -0.000 0.000 0.256 733 G C -0.724 174.211 174.900 0.057 0.000 1.236 733 G CA -0.277 44.568 45.100 -0.424 0.000 0.914 733 G HN 0.931 nan 8.290 nan 0.000 0.482 734 S N -0.197 115.647 115.700 0.239 0.000 2.549 734 S HA 0.414 4.884 4.470 -0.000 0.000 0.279 734 S C 1.460 176.219 174.600 0.265 0.000 1.321 734 S CA 1.033 59.346 58.200 0.189 0.000 1.054 734 S CB 1.202 64.481 63.200 0.131 0.000 0.899 734 S HN 0.927 nan 8.310 nan 0.000 0.497 735 T N 2.617 117.299 114.554 0.213 0.000 2.721 735 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 735 T C 2.260 177.023 174.700 0.106 0.000 1.038 735 T CA 2.201 64.410 62.100 0.182 0.000 1.145 735 T CB -1.122 67.867 68.868 0.201 0.000 0.858 735 T HN 0.953 nan 8.240 nan 0.000 0.459 736 E N 0.604 120.863 120.200 0.099 0.000 2.077 736 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 736 E C 2.389 178.993 176.600 0.005 0.000 0.989 736 E CA 1.387 57.817 56.400 0.050 0.000 0.800 736 E CB -1.127 28.609 29.700 0.059 0.000 0.746 736 E HN 0.444 nan 8.360 nan 0.000 0.452 737 V N 0.700 120.624 119.914 0.017 0.000 2.453 737 V HA -0.046 4.073 4.120 -0.000 0.000 0.247 737 V C 2.934 178.826 176.094 -0.337 0.000 1.048 737 V CA 1.507 63.753 62.300 -0.089 0.000 1.049 737 V CB -0.526 31.314 31.823 0.028 0.000 0.672 737 V HN 0.678 nan 8.190 nan 0.000 0.457 738 A N 0.164 122.763 122.820 -0.369 0.000 1.892 738 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 738 A C 2.375 179.821 177.584 -0.231 0.000 1.188 738 A CA 2.062 53.838 52.037 -0.435 0.000 0.631 738 A CB -0.525 18.427 19.000 -0.080 0.000 0.822 738 A HN 0.500 nan 8.150 nan 0.000 0.447 739 R N -0.013 120.414 120.500 -0.123 0.000 2.081 739 R HA -0.124 4.215 4.340 -0.000 0.000 0.235 739 R C 2.688 178.931 176.300 -0.094 0.000 1.131 739 R CA 1.725 57.775 56.100 -0.085 0.000 0.960 739 R CB -0.447 29.825 30.300 -0.047 0.000 0.856 739 R HN 0.766 nan 8.270 nan 0.000 0.436 740 S N 0.921 116.560 115.700 -0.102 0.000 2.368 740 S HA -0.122 4.347 4.470 -0.000 0.000 0.225 740 S C 2.072 176.607 174.600 -0.109 0.000 1.030 740 S CA 0.949 59.097 58.200 -0.087 0.000 0.999 740 S CB -0.496 62.663 63.200 -0.070 0.000 0.844 740 S HN 0.201 nan 8.310 nan 0.000 0.459 741 I N 2.613 123.079 120.570 -0.172 0.000 2.163 741 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 741 I C 2.820 178.859 176.117 -0.131 0.000 1.085 741 I CA 1.636 62.831 61.300 -0.175 0.000 1.347 741 I CB -0.629 37.196 38.000 -0.292 0.000 1.044 741 I HN 0.332 nan 8.210 nan 0.000 0.408 742 N N 1.101 119.723 118.700 -0.130 0.000 2.149 742 N HA -0.190 4.549 4.740 -0.000 0.000 0.188 742 N C 1.924 177.390 175.510 -0.073 0.000 1.019 742 N CA 1.577 54.571 53.050 -0.093 0.000 0.857 742 N CB -0.053 38.386 38.487 -0.079 0.000 0.997 742 N HN 0.186 nan 8.380 nan 0.000 0.426 743 R N -0.373 120.086 120.500 -0.069 0.000 2.090 743 R HA 0.097 4.437 4.340 -0.000 0.000 0.228 743 R C 2.193 178.462 176.300 -0.051 0.000 1.110 743 R CA 1.184 57.252 56.100 -0.053 0.000 0.973 743 R CB -0.313 29.959 30.300 -0.046 0.000 0.869 743 R HN 0.229 nan 8.270 nan 0.000 0.440 744 A N 1.075 123.862 122.820 -0.056 0.000 1.902 744 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 744 A C 2.115 179.668 177.584 -0.051 0.000 1.181 744 A CA 1.142 53.150 52.037 -0.048 0.000 0.623 744 A CB -0.519 18.453 19.000 -0.047 0.000 0.818 744 A HN 0.169 nan 8.150 nan 0.000 0.443 745 L N -0.785 120.400 121.223 -0.063 0.000 2.017 745 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 745 L C 3.102 179.937 176.870 -0.059 0.000 1.073 745 L CA 1.189 55.989 54.840 -0.067 0.000 0.745 745 L CB -0.632 41.378 42.059 -0.081 0.000 0.894 745 L HN 0.424 nan 8.230 nan 0.000 0.432 746 A N -0.004 122.784 122.820 -0.054 0.000 1.972 746 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 746 A C 2.487 180.046 177.584 -0.041 0.000 1.169 746 A CA 1.652 53.660 52.037 -0.047 0.000 0.635 746 A CB -0.637 18.337 19.000 -0.043 0.000 0.810 746 A HN 0.425 nan 8.150 nan 0.000 0.446 747 A N -0.171 122.625 122.820 -0.039 0.000 2.015 747 A HA -0.012 4.308 4.320 -0.000 0.000 0.219 747 A C 1.263 178.826 177.584 -0.034 0.000 1.163 747 A CA 0.880 52.896 52.037 -0.034 0.000 0.646 747 A CB -0.261 18.720 19.000 -0.032 0.000 0.806 747 A HN 0.564 nan 8.150 nan 0.000 0.448 748 K N 0.619 120.995 120.400 -0.039 0.000 2.319 748 K HA 0.108 4.428 4.320 -0.000 0.000 0.265 748 K C -0.400 176.178 176.600 -0.037 0.000 1.000 748 K CA 0.117 56.381 56.287 -0.039 0.000 0.943 748 K CB 0.419 32.892 32.500 -0.045 0.000 0.950 748 K HN 0.139 nan 8.250 nan 0.000 0.485 749 D N 1.065 121.445 120.400 -0.034 0.000 2.348 749 D HA -0.000 4.640 4.640 -0.000 0.000 0.211 749 D C 1.082 177.364 176.300 -0.031 0.000 0.998 749 D CA 0.350 54.332 54.000 -0.030 0.000 0.873 749 D CB 0.123 40.907 40.800 -0.026 0.000 0.925 749 D HN 0.688 nan 8.370 nan 0.000 0.524 750 G N 1.310 110.088 108.800 -0.036 0.000 2.485 750 G HA2 0.272 4.232 3.960 -0.000 0.000 0.260 750 G HA3 0.272 4.232 3.960 -0.000 0.000 0.260 750 G C -2.109 172.766 174.900 -0.042 0.000 1.459 750 G CA -0.590 44.488 45.100 -0.038 0.000 1.060 750 G HN 0.000 nan 8.290 nan 0.000 0.546 751 P HA 0.195 nan 4.420 nan 0.000 0.268 751 P C -0.257 177.006 177.300 -0.062 0.000 1.205 751 P CA -0.025 63.044 63.100 -0.052 0.000 0.771 751 P CB 0.629 32.294 31.700 -0.058 0.000 0.858 752 I N 2.893 123.429 120.570 -0.056 0.000 2.494 752 I HA 0.050 4.219 4.170 -0.000 0.000 0.289 752 I C 0.797 176.867 176.117 -0.079 0.000 1.106 752 I CA -0.214 61.048 61.300 -0.063 0.000 1.369 752 I CB 0.058 38.027 38.000 -0.050 0.000 1.410 752 I HN 0.126 nan 8.210 nan 0.000 0.523 753 V N 5.156 125.007 119.914 -0.104 0.000 2.966 753 V HA 0.643 4.763 4.120 -0.000 0.000 0.317 753 V C -2.433 173.576 176.094 -0.140 0.000 1.070 753 V CA -2.250 59.964 62.300 -0.144 0.000 1.008 753 V CB 0.765 32.464 31.823 -0.206 0.000 1.070 753 V HN 0.468 nan 8.190 nan 0.000 0.457 754 P HA 0.473 nan 4.420 nan 0.000 0.275 754 P C -1.087 176.134 177.300 -0.132 0.000 1.227 754 P CA -0.145 62.880 63.100 -0.124 0.000 0.781 754 P CB 0.725 32.368 31.700 -0.096 0.000 0.906 755 L N 4.325 125.497 121.223 -0.085 0.000 2.343 755 L HA 0.498 4.838 4.340 -0.000 0.000 0.278 755 L C -1.182 175.677 176.870 -0.019 0.000 0.996 755 L CA -0.345 54.466 54.840 -0.049 0.000 0.831 755 L CB 0.751 42.781 42.059 -0.048 0.000 1.232 755 L HN 0.231 nan 8.230 nan 0.000 0.413 756 I N 5.460 126.036 120.570 0.010 0.000 2.312 756 I HA 0.686 4.856 4.170 -0.000 0.000 0.290 756 I C -0.060 176.151 176.117 0.156 0.000 1.008 756 I CA -0.286 61.036 61.300 0.036 0.000 1.226 756 I CB 1.555 39.519 38.000 -0.059 0.000 1.371 756 I HN 0.802 nan 8.210 nan 0.000 0.468 757 A N 6.296 129.220 122.820 0.173 0.000 2.375 757 A HA 0.642 4.962 4.320 -0.000 0.000 0.291 757 A C -0.788 176.933 177.584 0.227 0.000 1.160 757 A CA -0.683 51.526 52.037 0.288 0.000 0.747 757 A CB 0.812 19.970 19.000 0.263 0.000 1.170 757 A HN 0.535 nan 8.150 nan 0.000 0.458 758 E N 2.277 122.599 120.200 0.204 0.000 2.134 758 E HA 0.525 4.875 4.350 -0.000 0.000 0.278 758 E C 0.229 176.910 176.600 0.135 0.000 0.959 758 E CA -0.166 56.322 56.400 0.147 0.000 0.783 758 E CB 1.737 31.520 29.700 0.137 0.000 1.095 758 E HN 0.778 nan 8.360 nan 0.000 0.399 759 T N -0.996 113.656 114.554 0.163 0.000 2.678 759 T HA 0.686 5.036 4.350 -0.000 0.000 0.260 759 T C 0.794 175.607 174.700 0.189 0.000 0.932 759 T CA -0.583 61.628 62.100 0.186 0.000 1.043 759 T CB 0.801 69.811 68.868 0.236 0.000 1.413 759 T HN 0.301 nan 8.240 nan 0.000 0.568 760 G N -1.213 107.719 108.800 0.221 0.000 2.570 760 G HA2 0.552 4.512 3.960 -0.000 0.000 0.276 760 G HA3 0.552 4.512 3.960 -0.000 0.000 0.276 760 G C 0.076 175.076 174.900 0.167 0.000 1.346 760 G CA -0.324 44.877 45.100 0.168 0.000 1.034 760 G HN 1.177 nan 8.290 nan 0.000 0.512 761 G N -2.023 106.737 108.800 -0.066 0.000 2.646 761 G HA2 0.477 4.437 3.960 -0.000 0.000 0.291 761 G HA3 0.477 4.437 3.960 -0.000 0.000 0.291 761 G C -1.227 173.464 174.900 -0.348 0.000 1.445 761 G CA -0.777 44.225 45.100 -0.163 0.000 0.814 761 G HN 0.593 nan 8.290 nan 0.000 0.495 762 I N 2.333 122.725 120.570 -0.297 0.000 2.557 762 I HA 0.203 4.373 4.170 -0.000 0.000 0.277 762 I C -0.568 175.557 176.117 0.014 0.000 1.106 762 I CA -0.860 60.353 61.300 -0.144 0.000 1.180 762 I CB 0.697 38.613 38.000 -0.140 0.000 1.392 762 I HN 0.201 nan 8.210 nan 0.000 0.506 763 N N 4.355 123.080 118.700 0.041 0.000 2.488 763 N HA 0.490 5.230 4.740 -0.000 0.000 0.274 763 N C -0.119 175.453 175.510 0.103 0.000 1.111 763 N CA -0.067 53.038 53.050 0.091 0.000 0.974 763 N CB 2.146 40.696 38.487 0.103 0.000 1.089 763 N HN 0.517 nan 8.380 nan 0.000 0.465 764 A N 1.918 124.827 122.820 0.148 0.000 2.299 764 A HA 0.749 5.069 4.320 -0.000 0.000 0.332 764 A C -0.303 177.396 177.584 0.191 0.000 1.131 764 A CA -0.698 51.458 52.037 0.199 0.000 0.844 764 A CB 1.254 20.470 19.000 0.360 0.000 1.251 764 A HN 0.726 nan 8.150 nan 0.000 0.486 765 M N 1.577 121.303 119.600 0.210 0.000 2.393 765 M HA 0.643 5.123 4.480 -0.000 0.000 0.299 765 M C -2.091 174.373 176.300 0.272 0.000 1.103 765 M CA -0.482 54.939 55.300 0.203 0.000 0.910 765 M CB 1.345 34.027 32.600 0.137 0.000 1.659 765 M HN 0.576 nan 8.290 nan 0.000 0.445 766 I N 4.088 124.799 120.570 0.235 0.000 2.362 766 I HA 0.614 4.784 4.170 -0.000 0.000 0.289 766 I C -0.483 175.783 176.117 0.249 0.000 0.994 766 I CA -0.653 60.787 61.300 0.234 0.000 1.158 766 I CB 1.782 39.844 38.000 0.103 0.000 1.315 766 I HN 0.798 nan 8.210 nan 0.000 0.451 767 A N 5.199 128.190 122.820 0.285 0.000 2.319 767 A HA 0.648 4.968 4.320 -0.000 0.000 0.310 767 A C -0.801 176.932 177.584 0.248 0.000 1.152 767 A CA -0.672 51.511 52.037 0.243 0.000 0.783 767 A CB 0.837 19.925 19.000 0.147 0.000 1.184 767 A HN 0.746 nan 8.150 nan 0.000 0.474 768 D N 1.734 122.258 120.400 0.206 0.000 2.529 768 D HA 0.541 5.181 4.640 -0.000 0.000 0.273 768 D C 0.951 177.304 176.300 0.087 0.000 1.197 768 D CA 0.004 54.090 54.000 0.144 0.000 1.070 768 D CB 0.960 41.850 40.800 0.150 0.000 1.134 768 D HN 0.345 nan 8.370 nan 0.000 0.590 769 A N -1.001 121.849 122.820 0.049 0.000 2.206 769 A HA 0.034 4.353 4.320 -0.000 0.000 0.211 769 A C 1.725 179.340 177.584 0.052 0.000 1.158 769 A CA 1.391 53.450 52.037 0.037 0.000 0.761 769 A CB -1.127 17.884 19.000 0.018 0.000 0.801 769 A HN 0.682 nan 8.150 nan 0.000 0.473 770 T N -2.938 111.657 114.554 0.068 0.000 3.100 770 T HA 0.490 4.839 4.350 -0.000 0.000 0.253 770 T C 0.823 175.571 174.700 0.081 0.000 1.118 770 T CA 0.450 62.591 62.100 0.068 0.000 1.058 770 T CB -0.360 68.550 68.868 0.070 0.000 0.953 770 T HN 0.525 nan 8.240 nan 0.000 0.515 771 A N 1.815 124.696 122.820 0.102 0.000 2.425 771 A HA 0.581 4.900 4.320 -0.000 0.000 0.249 771 A C 0.113 177.761 177.584 0.105 0.000 1.084 771 A CA -0.683 51.438 52.037 0.139 0.000 0.781 771 A CB -0.062 19.053 19.000 0.192 0.000 1.019 771 A HN 0.500 nan 8.150 nan 0.000 0.490 772 L N 4.702 125.997 121.223 0.121 0.000 2.433 772 L HA 0.295 4.635 4.340 -0.000 0.000 0.275 772 L C -1.693 175.215 176.870 0.063 0.000 1.128 772 L CA -1.372 53.522 54.840 0.089 0.000 0.875 772 L CB 0.560 42.679 42.059 0.100 0.000 1.171 772 L HN 0.436 nan 8.230 nan 0.000 0.463 773 P HA -0.153 nan 4.420 nan 0.000 0.216 773 P C 0.842 178.142 177.300 0.000 0.000 1.150 773 P CA 1.296 64.400 63.100 0.005 0.000 0.837 773 P CB 0.357 32.058 31.700 0.002 0.000 0.786 774 E N -0.954 119.264 120.200 0.029 0.000 2.153 774 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 774 E C 2.127 178.746 176.600 0.030 0.000 0.988 774 E CA 1.020 57.442 56.400 0.037 0.000 0.811 774 E CB -0.547 29.195 29.700 0.070 0.000 0.746 774 E HN 0.183 nan 8.360 nan 0.000 0.466 775 Q N -0.091 119.737 119.800 0.047 0.000 2.096 775 Q HA -0.003 4.337 4.340 -0.000 0.000 0.197 775 Q C 2.085 178.066 176.000 -0.032 0.000 0.964 775 Q CA 0.665 56.510 55.803 0.070 0.000 0.838 775 Q CB -0.036 28.797 28.738 0.159 0.000 0.906 775 Q HN 0.156 nan 8.270 nan 0.000 0.444 776 V N 0.662 120.482 119.914 -0.157 0.000 2.287 776 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 776 V C 2.191 178.152 176.094 -0.221 0.000 1.053 776 V CA 1.920 63.977 62.300 -0.406 0.000 1.027 776 V CB -1.216 30.438 31.823 -0.281 0.000 0.646 776 V HN 0.459 nan 8.190 nan 0.000 0.447 777 A N -0.198 122.554 122.820 -0.113 0.000 1.877 777 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 777 A C 2.017 179.563 177.584 -0.064 0.000 1.186 777 A CA 2.129 54.118 52.037 -0.079 0.000 0.620 777 A CB -0.707 18.264 19.000 -0.049 0.000 0.822 777 A HN 0.535 nan 8.150 nan 0.000 0.443 778 D N 0.224 120.600 120.400 -0.040 0.000 2.092 778 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 778 D C 1.361 177.640 176.300 -0.035 0.000 0.994 778 D CA 1.572 55.561 54.000 -0.020 0.000 0.828 778 D CB -0.416 40.392 40.800 0.013 0.000 0.963 778 D HN 0.387 nan 8.370 nan 0.000 0.450 779 D N -0.361 120.012 120.400 -0.044 0.000 2.224 779 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 779 D C 2.175 178.423 176.300 -0.087 0.000 0.965 779 D CA 0.193 54.173 54.000 -0.033 0.000 0.852 779 D CB 0.002 40.836 40.800 0.056 0.000 0.947 779 D HN 0.077 nan 8.370 nan 0.000 0.494 780 V N 0.260 120.096 119.914 -0.131 0.000 2.407 780 V HA -0.140 3.979 4.120 -0.000 0.000 0.245 780 V C 2.532 178.481 176.094 -0.241 0.000 1.041 780 V CA 0.782 62.979 62.300 -0.172 0.000 1.040 780 V CB -0.086 31.641 31.823 -0.160 0.000 0.671 780 V HN 0.047 nan 8.190 nan 0.000 0.455 781 V N -0.263 119.566 119.914 -0.141 0.000 2.358 781 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 781 V C 2.577 178.636 176.094 -0.058 0.000 1.047 781 V CA 2.621 64.889 62.300 -0.053 0.000 1.035 781 V CB -0.777 31.086 31.823 0.068 0.000 0.658 781 V HN 0.590 nan 8.190 nan 0.000 0.452 782 T N -0.175 114.344 114.554 -0.058 0.000 2.674 782 T HA -0.181 4.169 4.350 -0.000 0.000 0.265 782 T C 2.123 176.768 174.700 -0.091 0.000 1.039 782 T CA 2.021 64.095 62.100 -0.045 0.000 1.150 782 T CB -0.284 68.558 68.868 -0.042 0.000 0.864 782 T HN 0.503 nan 8.240 nan 0.000 0.427 783 S N 1.132 116.752 115.700 -0.134 0.000 2.399 783 S HA 0.009 4.479 4.470 -0.000 0.000 0.231 783 S C 2.369 176.852 174.600 -0.196 0.000 1.022 783 S CA 0.986 59.101 58.200 -0.142 0.000 0.983 783 S CB -0.321 62.807 63.200 -0.120 0.000 0.803 783 S HN 0.575 nan 8.310 nan 0.000 0.480 784 A N -0.113 122.482 122.820 -0.376 0.000 1.997 784 A HA 0.344 4.664 4.320 -0.000 0.000 0.212 784 A C 1.356 178.703 177.584 -0.394 0.000 1.178 784 A CA 0.544 52.253 52.037 -0.546 0.000 0.698 784 A CB -0.146 18.245 19.000 -1.015 0.000 0.842 784 A HN 0.470 nan 8.150 nan 0.000 0.458 785 F N -0.732 119.215 119.950 -0.005 0.000 2.752 785 F HA 0.350 4.877 4.527 -0.000 0.000 0.310 785 F C 0.788 176.598 175.800 0.016 0.000 1.097 785 F CA -0.865 57.143 58.000 0.014 0.000 1.238 785 F CB -0.308 38.704 39.000 0.020 0.000 1.061 785 F HN 0.034 nan 8.300 nan 0.000 0.591 786 R N 1.266 121.846 120.500 0.134 0.000 2.585 786 R HA 0.106 4.445 4.340 -0.000 0.000 0.275 786 R C 0.777 177.115 176.300 0.063 0.000 1.018 786 R CA 0.933 57.087 56.100 0.089 0.000 1.072 786 R CB -0.100 30.221 30.300 0.035 0.000 0.953 786 R HN 0.231 nan 8.270 nan 0.000 0.419 787 S N 2.620 118.361 115.700 0.069 0.000 3.635 787 S HA -0.238 4.231 4.470 -0.000 0.000 0.328 787 S C 0.546 175.181 174.600 0.057 0.000 1.135 787 S CA 1.021 59.244 58.200 0.039 0.000 0.942 787 S CB -2.088 61.093 63.200 -0.030 0.000 0.930 787 S HN 1.664 nan 8.310 nan 0.000 0.512 788 A N -1.206 121.679 122.820 0.109 0.000 2.799 788 A HA 0.138 4.458 4.320 -0.000 0.000 0.287 788 A C 2.108 179.745 177.584 0.088 0.000 1.484 788 A CA 1.520 53.637 52.037 0.132 0.000 0.813 788 A CB -2.221 16.857 19.000 0.129 0.000 1.009 788 A HN 2.597 nan 8.150 nan 0.000 0.545 789 G N -2.055 106.772 108.800 0.044 0.000 2.203 789 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 789 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 789 G C 0.187 174.892 174.900 -0.325 0.000 1.012 789 G CA 0.911 45.967 45.100 -0.074 0.000 0.749 789 G HN 1.330 nan 8.290 nan 0.000 0.512 790 Q N -0.366 119.275 119.800 -0.265 0.000 2.399 790 Q HA 0.266 4.606 4.340 -0.000 0.000 0.307 790 Q C 0.844 176.605 176.000 -0.400 0.000 0.933 790 Q CA 0.015 55.556 55.803 -0.436 0.000 0.995 790 Q CB 0.343 29.165 28.738 0.139 0.000 1.191 790 Q HN 0.539 nan 8.270 nan 0.000 0.426 791 R N -0.781 119.484 120.500 -0.393 0.000 2.670 791 R HA 0.297 4.637 4.340 -0.000 0.000 0.289 791 R C 0.360 176.685 176.300 0.042 0.000 0.965 791 R CA -0.594 55.500 56.100 -0.010 0.000 0.899 791 R CB 1.232 31.578 30.300 0.077 0.000 1.173 791 R HN 0.243 nan 8.270 nan 0.000 0.456 792 C N 0.039 119.544 119.300 0.341 0.000 2.448 792 C HA -0.077 4.383 4.460 -0.000 0.000 0.280 792 C C 2.280 177.453 174.990 0.305 0.000 1.398 792 C CA 0.690 59.951 59.018 0.404 0.000 1.774 792 C CB -0.865 27.118 27.740 0.405 0.000 1.888 792 C HN 0.900 nan 8.230 nan 0.000 0.519 793 S N 1.248 117.115 115.700 0.279 0.000 2.562 793 S HA 0.319 4.789 4.470 -0.000 0.000 0.221 793 S C 0.879 175.557 174.600 0.130 0.000 0.975 793 S CA 0.448 58.818 58.200 0.284 0.000 0.918 793 S CB -0.357 63.000 63.200 0.262 0.000 0.772 793 S HN 0.587 nan 8.310 nan 0.000 0.531 794 A N 2.086 124.936 122.820 0.050 0.000 2.531 794 A HA 0.431 4.751 4.320 -0.000 0.000 0.236 794 A C 0.169 177.745 177.584 -0.013 0.000 1.062 794 A CA -0.463 51.557 52.037 -0.028 0.000 0.760 794 A CB -0.224 18.712 19.000 -0.107 0.000 0.995 794 A HN 0.598 nan 8.150 nan 0.000 0.501 795 L N 2.611 123.804 121.223 -0.050 0.000 2.477 795 L HA 0.239 4.579 4.340 -0.000 0.000 0.272 795 L C 1.021 177.871 176.870 -0.034 0.000 1.157 795 L CA 0.615 55.432 54.840 -0.038 0.000 0.889 795 L CB 0.220 42.229 42.059 -0.082 0.000 1.158 795 L HN 0.730 nan 8.230 nan 0.000 0.473 796 R N 4.337 124.852 120.500 0.026 0.000 2.250 796 R HA 0.353 4.693 4.340 -0.000 0.000 0.194 796 R C -0.719 175.667 176.300 0.144 0.000 0.927 796 R CA -0.023 56.136 56.100 0.099 0.000 1.052 796 R CB -0.206 30.142 30.300 0.080 0.000 1.055 796 R HN 0.499 nan 8.270 nan 0.000 0.537 797 L N 1.543 122.792 121.223 0.044 0.000 2.446 797 L HA 0.434 4.774 4.340 -0.000 0.000 0.268 797 L C -1.603 175.188 176.870 -0.132 0.000 0.975 797 L CA -1.079 53.728 54.840 -0.055 0.000 0.848 797 L CB 1.660 43.646 42.059 -0.122 0.000 1.225 797 L HN -0.092 nan 8.230 nan 0.000 0.410 798 L N 5.254 126.388 121.223 -0.147 0.000 2.264 798 L HA 0.614 4.954 4.340 -0.000 0.000 0.289 798 L C -1.290 175.467 176.870 -0.189 0.000 1.044 798 L CA 0.326 55.112 54.840 -0.091 0.000 0.807 798 L CB 0.634 42.673 42.059 -0.034 0.000 1.192 798 L HN 0.437 nan 8.230 nan 0.000 0.425 799 F N 5.168 125.173 119.950 0.091 0.000 2.405 799 F HA 0.579 5.106 4.527 -0.000 0.000 0.355 799 F C 0.101 176.061 175.800 0.268 0.000 1.121 799 F CA -0.441 57.638 58.000 0.132 0.000 1.112 799 F CB 1.707 40.672 39.000 -0.058 0.000 1.126 799 F HN 0.283 nan 8.300 nan 0.000 0.481 800 V N 4.751 124.959 119.914 0.491 0.000 2.638 800 V HA 0.381 4.501 4.120 -0.000 0.000 0.306 800 V C -0.539 175.657 176.094 0.170 0.000 1.052 800 V CA -0.587 61.909 62.300 0.326 0.000 0.885 800 V CB 1.862 33.767 31.823 0.136 0.000 0.999 800 V HN 0.762 nan 8.190 nan 0.000 0.424 801 Q N 3.253 122.996 119.800 -0.095 0.000 2.361 801 Q HA 0.093 4.433 4.340 -0.000 0.000 0.276 801 Q C 1.241 177.119 176.000 -0.204 0.000 1.022 801 Q CA 0.702 56.209 55.803 -0.494 0.000 0.898 801 Q CB 1.050 29.557 28.738 -0.386 0.000 1.246 801 Q HN 0.941 nan 8.270 nan 0.000 0.410 802 E N 1.844 121.925 120.200 -0.199 0.000 2.118 802 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 802 E C 0.298 176.875 176.600 -0.038 0.000 0.992 802 E CA 1.424 57.785 56.400 -0.066 0.000 0.804 802 E CB 0.052 29.731 29.700 -0.034 0.000 0.741 802 E HN 0.554 nan 8.360 nan 0.000 0.458 803 D N 0.843 121.215 120.400 -0.047 0.000 2.263 803 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 803 D C 1.754 178.048 176.300 -0.011 0.000 0.971 803 D CA 1.577 55.569 54.000 -0.014 0.000 0.867 803 D CB 0.492 41.290 40.800 -0.003 0.000 0.929 803 D HN 0.374 nan 8.370 nan 0.000 0.492 804 V N -3.723 116.179 119.914 -0.020 0.000 3.346 804 V HA 0.533 4.653 4.120 -0.000 0.000 0.309 804 V C 1.705 177.789 176.094 -0.015 0.000 1.457 804 V CA 0.275 62.566 62.300 -0.013 0.000 1.069 804 V CB 0.281 32.101 31.823 -0.005 0.000 0.944 804 V HN -0.022 nan 8.190 nan 0.000 0.449 805 A N 0.901 123.713 122.820 -0.013 0.000 1.898 805 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 805 A C 1.890 179.455 177.584 -0.032 0.000 1.181 805 A CA 2.136 54.166 52.037 -0.012 0.000 0.620 805 A CB -0.547 18.458 19.000 0.009 0.000 0.819 805 A HN 0.511 nan 8.150 nan 0.000 0.442 806 D N -0.643 119.746 120.400 -0.019 0.000 2.097 806 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 806 D C 2.144 178.421 176.300 -0.039 0.000 0.989 806 D CA 1.662 55.650 54.000 -0.021 0.000 0.827 806 D CB -0.256 40.544 40.800 -0.000 0.000 0.966 806 D HN 0.386 nan 8.370 nan 0.000 0.456 807 R N 0.493 120.972 120.500 -0.035 0.000 2.075 807 R HA 0.030 4.370 4.340 -0.000 0.000 0.232 807 R C 2.266 178.536 176.300 -0.049 0.000 1.126 807 R CA 1.113 57.189 56.100 -0.041 0.000 0.963 807 R CB -0.552 29.726 30.300 -0.036 0.000 0.858 807 R HN 0.132 nan 8.270 nan 0.000 0.435 808 M N -0.440 119.131 119.600 -0.048 0.000 2.132 808 M HA -0.085 4.395 4.480 -0.000 0.000 0.263 808 M C 2.111 178.362 176.300 -0.081 0.000 1.065 808 M CA 1.703 56.970 55.300 -0.056 0.000 1.122 808 M CB -0.236 32.339 32.600 -0.042 0.000 1.365 808 M HN 0.133 nan 8.290 nan 0.000 0.411 809 I N -0.157 120.347 120.570 -0.111 0.000 2.179 809 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 809 I C 2.511 178.540 176.117 -0.147 0.000 1.088 809 I CA 1.487 62.679 61.300 -0.179 0.000 1.357 809 I CB -0.572 37.219 38.000 -0.348 0.000 1.051 809 I HN 0.396 nan 8.210 nan 0.000 0.409 810 E N 1.117 121.253 120.200 -0.108 0.000 2.085 810 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 810 E C 2.327 178.876 176.600 -0.085 0.000 0.994 810 E CA 1.518 57.874 56.400 -0.073 0.000 0.801 810 E CB -0.082 29.589 29.700 -0.048 0.000 0.743 810 E HN 0.429 nan 8.360 nan 0.000 0.453 811 M N 0.089 119.641 119.600 -0.080 0.000 2.200 811 M HA -0.114 4.366 4.480 -0.000 0.000 0.265 811 M C 2.135 178.380 176.300 -0.092 0.000 1.066 811 M CA 0.897 56.152 55.300 -0.075 0.000 1.127 811 M CB 0.209 32.778 32.600 -0.053 0.000 1.379 811 M HN 0.076 nan 8.290 nan 0.000 0.420 812 V N 0.624 120.484 119.914 -0.090 0.000 2.343 812 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 812 V C 2.588 178.597 176.094 -0.141 0.000 1.051 812 V CA 1.978 64.232 62.300 -0.077 0.000 1.036 812 V CB -1.316 30.478 31.823 -0.049 0.000 0.654 812 V HN 0.613 nan 8.190 nan 0.000 0.451 813 A N 0.389 123.093 122.820 -0.194 0.000 1.873 813 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 813 A C 2.433 179.693 177.584 -0.541 0.000 1.186 813 A CA 1.827 53.626 52.037 -0.397 0.000 0.616 813 A CB -1.228 17.660 19.000 -0.186 0.000 0.823 813 A HN 0.515 nan 8.150 nan 0.000 0.442 814 G N -0.441 108.187 108.800 -0.287 0.000 2.418 814 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.217 814 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.217 814 G C 1.740 176.498 174.900 -0.236 0.000 1.158 814 G CA 1.513 46.476 45.100 -0.229 0.000 0.771 814 G HN 0.788 nan 8.290 nan 0.000 0.545 815 A N 1.154 123.855 122.820 -0.198 0.000 1.898 815 A HA 0.303 4.623 4.320 -0.000 0.000 0.216 815 A C 2.816 180.273 177.584 -0.212 0.000 1.181 815 A CA 2.185 54.129 52.037 -0.155 0.000 0.620 815 A CB -0.786 18.159 19.000 -0.091 0.000 0.819 815 A HN 0.798 nan 8.150 nan 0.000 0.442 816 A N -0.383 122.247 122.820 -0.318 0.000 1.933 816 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 816 A C 2.228 179.540 177.584 -0.454 0.000 1.175 816 A CA 1.646 53.436 52.037 -0.413 0.000 0.628 816 A CB -0.506 18.118 19.000 -0.627 0.000 0.814 816 A HN 0.541 nan 8.150 nan 0.000 0.444 817 R N -0.302 119.838 120.500 -0.599 0.000 2.152 817 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 817 R C 0.960 177.211 176.300 -0.082 0.000 1.117 817 R CA 1.376 57.341 56.100 -0.226 0.000 0.981 817 R CB -0.074 30.122 30.300 -0.172 0.000 0.870 817 R HN 0.417 nan 8.270 nan 0.000 0.451 818 E N 0.500 120.624 120.200 -0.126 0.000 2.502 818 E HA 0.010 4.359 4.350 -0.000 0.000 0.194 818 E C 0.098 176.674 176.600 -0.041 0.000 1.062 818 E CA 0.186 56.545 56.400 -0.069 0.000 0.867 818 E CB 0.112 29.759 29.700 -0.088 0.000 0.888 818 E HN 0.378 nan 8.360 nan 0.000 0.510 819 L N 2.036 123.222 121.223 -0.062 0.000 2.361 819 L HA 0.113 4.453 4.340 -0.000 0.000 0.278 819 L C 0.569 177.557 176.870 0.197 0.000 1.113 819 L CA -0.475 54.376 54.840 0.018 0.000 0.849 819 L CB 0.243 42.288 42.059 -0.023 0.000 1.155 819 L HN -0.268 nan 8.230 nan 0.000 0.452 820 K N 4.826 125.501 120.400 0.458 0.000 2.349 820 K HA 0.363 4.683 4.320 -0.000 0.000 0.288 820 K C -0.718 175.927 176.600 0.075 0.000 1.058 820 K CA 0.191 56.576 56.287 0.163 0.000 0.953 820 K CB 0.252 32.777 32.500 0.042 0.000 0.997 820 K HN 0.399 nan 8.250 nan 0.000 0.477 821 I N 4.129 124.689 120.570 -0.016 0.000 2.336 821 I HA 0.624 4.794 4.170 -0.000 0.000 0.292 821 I C 0.741 176.706 176.117 -0.252 0.000 0.991 821 I CA -0.276 60.970 61.300 -0.089 0.000 1.227 821 I CB 1.698 39.621 38.000 -0.129 0.000 1.366 821 I HN 0.822 nan 8.210 nan 0.000 0.466 822 G N 4.270 112.941 108.800 -0.215 0.000 2.356 822 G HA2 0.036 3.995 3.960 -0.000 0.000 0.281 822 G HA3 0.036 3.995 3.960 -0.000 0.000 0.281 822 G C -1.730 173.236 174.900 0.108 0.000 1.246 822 G CA -0.693 44.258 45.100 -0.248 0.000 0.889 822 G HN 0.449 nan 8.290 nan 0.000 0.486 823 D N 1.600 122.065 120.400 0.108 0.000 2.451 823 D HA 0.176 4.816 4.640 -0.000 0.000 0.254 823 D C -0.629 175.725 176.300 0.090 0.000 1.204 823 D CA -1.331 52.755 54.000 0.144 0.000 0.896 823 D CB 1.603 42.448 40.800 0.076 0.000 1.136 823 D HN 0.026 nan 8.370 nan 0.000 0.499 824 P HA -0.113 nan 4.420 nan 0.000 0.221 824 P C 1.113 178.430 177.300 0.028 0.000 1.145 824 P CA 0.624 63.764 63.100 0.065 0.000 0.795 824 P CB 0.355 32.092 31.700 0.062 0.000 0.775 825 S N -0.717 114.994 115.700 0.018 0.000 2.428 825 S HA -0.034 4.436 4.470 -0.000 0.000 0.230 825 S C 0.742 175.329 174.600 -0.022 0.000 1.014 825 S CA 0.525 58.721 58.200 -0.006 0.000 0.957 825 S CB -0.660 62.535 63.200 -0.008 0.000 0.784 825 S HN 0.245 nan 8.310 nan 0.000 0.499 826 D N 1.185 121.574 120.400 -0.019 0.000 2.425 826 D HA 0.045 4.685 4.640 -0.000 0.000 0.247 826 D C 1.034 177.299 176.300 -0.059 0.000 1.147 826 D CA 0.018 53.995 54.000 -0.039 0.000 0.879 826 D CB 1.435 42.213 40.800 -0.036 0.000 1.179 826 D HN -0.091 nan 8.370 nan 0.000 0.456 827 V N 2.879 122.746 119.914 -0.078 0.000 2.594 827 V HA -0.218 3.902 4.120 -0.000 0.000 0.253 827 V C 1.870 177.898 176.094 -0.110 0.000 1.069 827 V CA 2.346 64.584 62.300 -0.103 0.000 1.082 827 V CB -0.173 31.572 31.823 -0.130 0.000 0.680 827 V HN 0.683 nan 8.190 nan 0.000 0.469 828 A N -1.161 121.587 122.820 -0.119 0.000 2.208 828 A HA 0.134 4.454 4.320 -0.000 0.000 0.209 828 A C 1.280 178.677 177.584 -0.311 0.000 1.161 828 A CA 0.686 52.615 52.037 -0.179 0.000 0.782 828 A CB -0.484 18.448 19.000 -0.113 0.000 0.816 828 A HN 0.502 nan 8.150 nan 0.000 0.477 829 T N 0.127 114.562 114.554 -0.199 0.000 2.888 829 T HA 0.219 4.569 4.350 -0.000 0.000 0.301 829 T C 0.644 175.230 174.700 -0.190 0.000 1.001 829 T CA 0.459 62.464 62.100 -0.157 0.000 1.147 829 T CB 0.421 69.268 68.868 -0.034 0.000 0.931 829 T HN 0.551 nan 8.240 nan 0.000 0.541 830 H N 0.831 119.933 119.070 0.053 0.000 2.557 830 H HA 0.338 4.893 4.556 -0.000 0.000 0.281 830 H C 0.247 175.621 175.328 0.078 0.000 0.990 830 H CA 0.033 56.120 56.048 0.065 0.000 1.278 830 H CB 0.767 30.563 29.762 0.057 0.000 1.451 830 H HN 0.257 nan 8.280 nan 0.000 0.516 831 V N 1.566 121.595 119.914 0.191 0.000 2.447 831 V HA 0.446 4.566 4.120 -0.000 0.000 0.292 831 V C 0.564 176.779 176.094 0.202 0.000 1.021 831 V CA -0.717 61.688 62.300 0.176 0.000 0.850 831 V CB 1.298 33.218 31.823 0.163 0.000 1.005 831 V HN 0.437 nan 8.190 nan 0.000 0.426 832 G N 5.529 114.449 108.800 0.200 0.000 2.535 832 G HA2 0.634 4.594 3.960 -0.000 0.000 0.282 832 G HA3 0.634 4.594 3.960 -0.000 0.000 0.282 832 G C -2.621 172.438 174.900 0.264 0.000 1.350 832 G CA -1.184 44.067 45.100 0.252 0.000 1.039 832 G HN 0.547 nan 8.290 nan 0.000 0.509 833 P HA 0.290 nan 4.420 nan 0.000 0.279 833 P C 0.315 177.509 177.300 -0.176 0.000 1.252 833 P CA -0.378 62.477 63.100 -0.409 0.000 0.811 833 P CB 1.306 32.461 31.700 -0.908 0.000 1.035 834 V N 0.078 119.893 119.914 -0.165 0.000 3.051 834 V HA 0.062 4.182 4.120 -0.000 0.000 0.306 834 V C 1.829 177.785 176.094 -0.231 0.000 1.083 834 V CA -0.245 61.989 62.300 -0.109 0.000 1.104 834 V CB -0.379 31.416 31.823 -0.047 0.000 1.027 834 V HN 0.446 nan 8.190 nan 0.000 0.483 835 I N 1.568 121.919 120.570 -0.365 0.000 2.163 835 I HA -0.046 4.124 4.170 -0.000 0.000 0.243 835 I C 0.744 176.611 176.117 -0.416 0.000 1.085 835 I CA 2.094 63.064 61.300 -0.549 0.000 1.347 835 I CB -0.573 36.612 38.000 -1.358 0.000 1.044 835 I HN 1.213 nan 8.210 nan 0.000 0.408 836 D N -3.510 116.670 120.400 -0.366 0.000 2.643 836 D HA 0.158 4.798 4.640 -0.000 0.000 0.283 836 D C 0.663 176.859 176.300 -0.173 0.000 1.242 836 D CA -0.271 53.578 54.000 -0.251 0.000 0.863 836 D CB 0.756 41.404 40.800 -0.252 0.000 1.382 836 D HN -0.217 nan 8.370 nan 0.000 0.444 837 V N 0.247 120.086 119.914 -0.125 0.000 2.332 837 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 837 V C 2.011 178.069 176.094 -0.062 0.000 1.055 837 V CA 2.353 64.604 62.300 -0.082 0.000 1.038 837 V CB -0.847 30.940 31.823 -0.060 0.000 0.651 837 V HN 0.557 nan 8.190 nan 0.000 0.450 838 E N 0.536 120.696 120.200 -0.066 0.000 2.085 838 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 838 E C 2.269 178.855 176.600 -0.024 0.000 0.994 838 E CA 1.541 57.918 56.400 -0.038 0.000 0.801 838 E CB -0.737 28.941 29.700 -0.037 0.000 0.743 838 E HN 0.588 nan 8.360 nan 0.000 0.453 839 A N 1.153 123.940 122.820 -0.056 0.000 1.865 839 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 839 A C 2.132 179.725 177.584 0.016 0.000 1.191 839 A CA 2.126 54.156 52.037 -0.012 0.000 0.623 839 A CB -0.607 18.347 19.000 -0.077 0.000 0.826 839 A HN 0.218 nan 8.150 nan 0.000 0.444 840 K N 0.158 120.548 120.400 -0.017 0.000 2.063 840 K HA -0.272 4.048 4.320 -0.000 0.000 0.208 840 K C 2.307 178.920 176.600 0.022 0.000 1.048 840 K CA 1.945 58.234 56.287 0.005 0.000 0.928 840 K CB -0.286 32.204 32.500 -0.018 0.000 0.713 840 K HN 0.783 nan 8.250 nan 0.000 0.442 841 Q N -0.086 119.722 119.800 0.014 0.000 2.172 841 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 841 Q C 2.168 178.192 176.000 0.040 0.000 0.964 841 Q CA 1.064 56.881 55.803 0.023 0.000 0.855 841 Q CB -0.265 28.482 28.738 0.014 0.000 0.918 841 Q HN 0.248 nan 8.270 nan 0.000 0.444 842 R N 0.813 121.342 120.500 0.048 0.000 2.081 842 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 842 R C 2.281 178.637 176.300 0.093 0.000 1.131 842 R CA 1.136 57.278 56.100 0.069 0.000 0.960 842 R CB -0.125 30.220 30.300 0.075 0.000 0.856 842 R HN 0.320 nan 8.270 nan 0.000 0.436 843 L N 0.251 121.528 121.223 0.090 0.000 2.056 843 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 843 L C 1.813 178.735 176.870 0.088 0.000 1.078 843 L CA 1.159 56.063 54.840 0.106 0.000 0.749 843 L CB -0.406 41.710 42.059 0.095 0.000 0.901 843 L HN 0.192 nan 8.230 nan 0.000 0.433 844 D N 0.221 120.652 120.400 0.052 0.000 2.144 844 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 844 D C 2.228 178.547 176.300 0.032 0.000 0.978 844 D CA 1.382 55.398 54.000 0.026 0.000 0.833 844 D CB -0.020 40.795 40.800 0.026 0.000 0.961 844 D HN 0.294 nan 8.370 nan 0.000 0.470 845 A N 0.309 123.159 122.820 0.051 0.000 1.902 845 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 845 A C 2.067 179.678 177.584 0.046 0.000 1.181 845 A CA 2.023 54.087 52.037 0.045 0.000 0.623 845 A CB -0.916 18.117 19.000 0.055 0.000 0.818 845 A HN 0.359 nan 8.150 nan 0.000 0.443 846 H N -0.408 118.659 119.070 -0.005 0.000 2.389 846 H HA 0.034 4.590 4.556 -0.000 0.000 0.299 846 H C 1.723 177.004 175.328 -0.079 0.000 1.081 846 H CA 1.741 57.777 56.048 -0.021 0.000 1.345 846 H CB -0.220 29.559 29.762 0.028 0.000 1.393 846 H HN 0.420 nan 8.280 nan 0.000 0.520 847 I N 0.208 120.747 120.570 -0.053 0.000 2.208 847 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 847 I C 2.664 178.723 176.117 -0.096 0.000 1.097 847 I CA 1.099 62.353 61.300 -0.076 0.000 1.363 847 I CB -0.476 37.480 38.000 -0.072 0.000 1.051 847 I HN 0.460 nan 8.210 nan 0.000 0.413 848 A N 0.935 123.717 122.820 -0.062 0.000 1.902 848 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 848 A C 2.677 180.199 177.584 -0.103 0.000 1.181 848 A CA 2.308 54.319 52.037 -0.043 0.000 0.623 848 A CB -0.972 18.018 19.000 -0.017 0.000 0.818 848 A HN 0.410 nan 8.150 nan 0.000 0.443 849 R N -1.157 119.246 120.500 -0.162 0.000 2.081 849 R HA -0.019 4.321 4.340 -0.000 0.000 0.235 849 R C 2.002 178.124 176.300 -0.297 0.000 1.131 849 R CA 1.995 57.981 56.100 -0.189 0.000 0.960 849 R CB -1.087 29.110 30.300 -0.172 0.000 0.856 849 R HN 0.521 nan 8.270 nan 0.000 0.436 850 M N 0.864 120.133 119.600 -0.552 0.000 2.175 850 M HA -0.030 4.450 4.480 -0.000 0.000 0.264 850 M C 2.151 178.171 176.300 -0.466 0.000 1.063 850 M CA 1.539 56.356 55.300 -0.806 0.000 1.119 850 M CB -0.648 30.823 32.600 -1.881 0.000 1.377 850 M HN 0.389 nan 8.290 nan 0.000 0.415 851 K N -0.248 120.031 120.400 -0.201 0.000 2.211 851 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 851 K C 1.747 178.362 176.600 0.024 0.000 1.047 851 K CA 1.869 58.212 56.287 0.094 0.000 0.935 851 K CB -0.250 32.330 32.500 0.135 0.000 0.728 851 K HN 0.518 nan 8.250 nan 0.000 0.452 852 T N -2.910 111.621 114.554 -0.039 0.000 3.060 852 T HA 0.117 4.467 4.350 -0.000 0.000 0.249 852 T C 1.334 176.017 174.700 -0.029 0.000 1.079 852 T CA 0.252 62.339 62.100 -0.023 0.000 1.013 852 T CB 0.370 69.222 68.868 -0.026 0.000 0.975 852 T HN -0.023 nan 8.240 nan 0.000 0.518 853 E N 0.691 120.856 120.200 -0.057 0.000 2.485 853 E HA 0.616 4.965 4.350 -0.000 0.000 0.213 853 E C 0.333 176.924 176.600 -0.015 0.000 0.923 853 E CA 0.230 56.603 56.400 -0.045 0.000 1.054 853 E CB 1.370 31.025 29.700 -0.075 0.000 1.077 853 E HN 0.648 nan 8.360 nan 0.000 0.509 854 A N 0.190 123.009 122.820 -0.002 0.000 2.556 854 A HA 0.671 4.991 4.320 -0.000 0.000 0.294 854 A C -1.027 176.652 177.584 0.159 0.000 1.091 854 A CA -0.798 51.287 52.037 0.080 0.000 0.704 854 A CB 1.133 20.187 19.000 0.090 0.000 1.300 854 A HN 0.075 nan 8.150 nan 0.000 0.406 855 R N 0.555 121.140 120.500 0.142 0.000 2.442 855 R HA 0.363 4.702 4.340 -0.000 0.000 0.291 855 R C -0.912 175.435 176.300 0.078 0.000 1.069 855 R CA -0.268 55.859 56.100 0.045 0.000 1.022 855 R CB 0.198 30.447 30.300 -0.085 0.000 0.976 855 R HN 0.639 nan 8.270 nan 0.000 0.443 856 L N 5.537 126.762 121.223 0.003 0.000 2.278 856 L HA 0.188 4.528 4.340 -0.000 0.000 0.287 856 L C 0.180 176.911 176.870 -0.230 0.000 1.072 856 L CA 0.269 55.043 54.840 -0.111 0.000 0.819 856 L CB 0.919 42.943 42.059 -0.058 0.000 1.176 856 L HN 0.772 nan 8.230 nan 0.000 0.435 857 H N 5.066 124.089 119.070 -0.078 0.000 2.520 857 H HA 0.195 4.751 4.556 -0.000 0.000 0.279 857 H C -0.651 174.705 175.328 0.048 0.000 0.990 857 H CA 0.654 56.699 56.048 -0.005 0.000 1.288 857 H CB 0.668 30.443 29.762 0.021 0.000 1.446 857 H HN 0.554 nan 8.280 nan 0.000 0.538 858 F N 0.111 119.973 119.950 -0.148 0.000 2.639 858 F HA 0.511 5.037 4.527 -0.000 0.000 0.320 858 F C -1.763 173.792 175.800 -0.407 0.000 1.128 858 F CA -0.828 57.040 58.000 -0.221 0.000 1.037 858 F CB 1.337 40.229 39.000 -0.179 0.000 1.288 858 F HN -0.122 nan 8.300 nan 0.000 0.463 859 A N 4.486 126.529 122.820 -1.294 0.000 2.605 859 A HA 0.666 4.986 4.320 -0.000 0.000 0.293 859 A C -0.079 176.639 177.584 -1.443 0.000 1.216 859 A CA -0.149 51.065 52.037 -1.372 0.000 0.742 859 A CB 0.349 18.922 19.000 -0.711 0.000 1.170 859 A HN 1.222 nan 8.150 nan 0.000 0.443 860 G N 2.156 110.067 108.800 -1.482 0.000 2.664 860 G HA2 0.491 4.450 3.960 -0.000 0.000 0.242 860 G HA3 0.491 4.450 3.960 -0.000 0.000 0.242 860 G C -2.652 172.009 174.900 -0.399 0.000 1.225 860 G CA -0.900 43.727 45.100 -0.788 0.000 0.849 860 G HN 0.469 nan 8.290 nan 0.000 0.581 861 P HA 0.462 nan 4.420 nan 0.000 0.293 861 P C -0.545 176.700 177.300 -0.092 0.000 1.313 861 P CA -0.191 62.830 63.100 -0.132 0.000 0.787 861 P CB 1.522 33.164 31.700 -0.097 0.000 0.910 862 A N 5.283 128.067 122.820 -0.060 0.000 2.312 862 A HA 0.741 5.061 4.320 -0.000 0.000 0.326 862 A C -2.239 175.301 177.584 -0.075 0.000 1.172 862 A CA -1.443 50.569 52.037 -0.042 0.000 0.821 862 A CB -0.392 18.646 19.000 0.063 0.000 1.166 862 A HN 0.372 nan 8.150 nan 0.000 0.493 863 P HA 0.505 nan 4.420 nan 0.000 0.276 863 P C 0.186 177.484 177.300 -0.003 0.000 1.244 863 P CA -0.122 62.856 63.100 -0.203 0.000 0.801 863 P CB 0.307 31.690 31.700 -0.529 0.000 1.006 864 E N 0.351 120.574 120.200 0.039 0.000 2.452 864 E HA 0.437 4.787 4.350 -0.000 0.000 0.261 864 E C 0.740 177.497 176.600 0.262 0.000 0.987 864 E CA 0.432 56.901 56.400 0.114 0.000 0.926 864 E CB -0.688 29.051 29.700 0.065 0.000 0.934 864 E HN 0.928 nan 8.360 nan 0.000 0.452 865 G N -0.544 108.390 108.800 0.223 0.000 2.331 865 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.479 865 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.479 865 G C 0.264 175.197 174.900 0.055 0.000 1.262 865 G CA -0.257 44.943 45.100 0.166 0.000 1.029 865 G HN 1.325 nan 8.290 nan 0.000 0.487 866 C N 1.517 120.685 119.300 -0.219 0.000 3.297 866 C HA 0.494 4.954 4.460 -0.000 0.000 0.533 866 C C 0.073 174.808 174.990 -0.426 0.000 1.228 866 C CA 0.071 58.919 59.018 -0.283 0.000 1.402 866 C CB -3.139 24.418 27.740 -0.305 0.000 1.728 866 C HN 0.332 nan 8.230 nan 0.000 0.637 867 F N -0.213 119.740 119.950 0.006 0.000 2.469 867 F HA 0.590 5.117 4.527 -0.000 0.000 0.332 867 F C 0.106 175.926 175.800 0.032 0.000 1.103 867 F CA -0.688 57.323 58.000 0.018 0.000 0.979 867 F CB 1.268 40.278 39.000 0.016 0.000 1.137 867 F HN -0.170 nan 8.300 nan 0.000 0.463 868 V N 2.844 122.900 119.914 0.237 0.000 2.483 868 V HA 0.698 4.818 4.120 -0.000 0.000 0.297 868 V C -0.144 176.068 176.094 0.197 0.000 1.027 868 V CA -0.941 61.470 62.300 0.186 0.000 0.855 868 V CB 1.450 33.353 31.823 0.133 0.000 0.995 868 V HN 0.922 nan 8.190 nan 0.000 0.424 869 A N 6.819 129.753 122.820 0.190 0.000 2.304 869 A HA 0.822 5.141 4.320 -0.000 0.000 0.271 869 A C -2.566 175.084 177.584 0.110 0.000 1.091 869 A CA -1.670 50.423 52.037 0.093 0.000 0.812 869 A CB 0.158 19.141 19.000 -0.028 0.000 1.056 869 A HN 0.640 nan 8.150 nan 0.000 0.489 870 P HA 0.183 nan 4.420 nan 0.000 0.262 870 P C -0.900 176.295 177.300 -0.174 0.000 1.182 870 P CA 0.993 63.843 63.100 -0.416 0.000 0.761 870 P CB 0.160 31.225 31.700 -1.059 0.000 0.795 871 H N 1.607 120.624 119.070 -0.088 0.000 2.690 871 H HA 0.606 5.162 4.556 -0.000 0.000 0.368 871 H C -0.264 175.050 175.328 -0.022 0.000 1.150 871 H CA -0.472 55.509 56.048 -0.113 0.000 1.174 871 H CB 1.222 30.901 29.762 -0.138 0.000 1.684 871 H HN 0.242 nan 8.280 nan 0.000 0.538 872 I N 3.387 123.908 120.570 -0.081 0.000 2.439 872 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 872 I C -1.078 174.913 176.117 -0.210 0.000 1.021 872 I CA -0.367 60.934 61.300 0.002 0.000 1.091 872 I CB 0.946 39.037 38.000 0.152 0.000 1.242 872 I HN 0.321 nan 8.210 nan 0.000 0.439 873 F N 3.795 123.824 119.950 0.132 0.000 2.480 873 F HA 0.448 4.975 4.527 -0.000 0.000 0.329 873 F C 0.378 176.306 175.800 0.213 0.000 1.091 873 F CA -0.687 57.405 58.000 0.152 0.000 0.972 873 F CB 1.736 40.799 39.000 0.105 0.000 1.150 873 F HN 0.391 nan 8.300 nan 0.000 0.467 874 E N 2.787 123.247 120.200 0.433 0.000 2.151 874 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 874 E C -1.583 175.165 176.600 0.247 0.000 0.936 874 E CA -0.786 55.814 56.400 0.333 0.000 0.777 874 E CB 1.010 30.957 29.700 0.411 0.000 1.108 874 E HN 0.393 nan 8.360 nan 0.000 0.401 875 L N 3.650 124.990 121.223 0.195 0.000 2.343 875 L HA 0.249 4.588 4.340 -0.000 0.000 0.275 875 L C 1.429 178.371 176.870 0.120 0.000 1.056 875 L CA 0.002 54.926 54.840 0.140 0.000 0.804 875 L CB 1.383 43.508 42.059 0.109 0.000 1.203 875 L HN 0.723 nan 8.230 nan 0.000 0.440 876 T N 0.718 115.332 114.554 0.100 0.000 2.746 876 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 876 T C 0.195 174.958 174.700 0.105 0.000 1.039 876 T CA 1.276 63.433 62.100 0.096 0.000 1.142 876 T CB -0.094 68.819 68.868 0.075 0.000 0.866 876 T HN 0.714 nan 8.240 nan 0.000 0.444 877 E N -1.077 119.181 120.200 0.097 0.000 2.390 877 E HA 0.725 5.075 4.350 -0.000 0.000 0.277 877 E C 0.521 177.181 176.600 0.101 0.000 0.939 877 E CA -0.575 55.893 56.400 0.112 0.000 0.769 877 E CB 1.413 31.172 29.700 0.098 0.000 1.251 877 E HN -0.079 nan 8.360 nan 0.000 0.450 878 A N 2.114 125.020 122.820 0.143 0.000 1.940 878 A HA -0.113 4.206 4.320 -0.000 0.000 0.219 878 A C 1.996 179.631 177.584 0.084 0.000 1.176 878 A CA 1.955 54.068 52.037 0.125 0.000 0.631 878 A CB -1.282 17.898 19.000 0.301 0.000 0.814 878 A HN 0.790 nan 8.150 nan 0.000 0.446 879 G N -1.116 107.737 108.800 0.088 0.000 2.527 879 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 879 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 879 G C 1.432 176.357 174.900 0.042 0.000 1.117 879 G CA 0.889 46.027 45.100 0.064 0.000 0.759 879 G HN 0.684 nan 8.290 nan 0.000 0.556 880 Q N -1.321 118.499 119.800 0.034 0.000 2.297 880 Q HA 0.102 4.442 4.340 -0.000 0.000 0.204 880 Q C 0.459 176.453 176.000 -0.011 0.000 0.962 880 Q CA 0.069 55.882 55.803 0.016 0.000 0.879 880 Q CB 0.077 28.828 28.738 0.021 0.000 0.947 880 Q HN 0.413 nan 8.270 nan 0.000 0.462 881 L N 0.873 122.072 121.223 -0.041 0.000 2.264 881 L HA 0.155 4.495 4.340 -0.000 0.000 0.287 881 L C 0.441 177.288 176.870 -0.038 0.000 1.039 881 L CA 0.353 55.128 54.840 -0.109 0.000 0.829 881 L CB 1.164 43.061 42.059 -0.269 0.000 1.211 881 L HN -0.017 nan 8.230 nan 0.000 0.427 882 T N -0.102 114.448 114.554 -0.006 0.000 3.040 882 T HA 0.400 4.750 4.350 -0.000 0.000 0.266 882 T C 0.199 174.928 174.700 0.048 0.000 1.005 882 T CA -0.192 61.931 62.100 0.038 0.000 0.906 882 T CB -0.066 68.833 68.868 0.050 0.000 1.082 882 T HN 0.594 nan 8.240 nan 0.000 0.531 883 E N 0.810 121.004 120.200 -0.010 0.000 2.393 883 E HA 0.447 4.796 4.350 -0.000 0.000 0.273 883 E C -1.213 175.322 176.600 -0.109 0.000 0.918 883 E CA -1.021 55.365 56.400 -0.022 0.000 0.773 883 E CB 1.744 31.441 29.700 -0.005 0.000 1.275 883 E HN 0.253 nan 8.360 nan 0.000 0.451 884 E N 1.502 121.628 120.200 -0.125 0.000 2.257 884 E HA 0.163 4.513 4.350 -0.000 0.000 0.278 884 E C -1.088 175.505 176.600 -0.012 0.000 1.049 884 E CA -0.301 56.041 56.400 -0.097 0.000 0.876 884 E CB 0.743 30.383 29.700 -0.101 0.000 1.035 884 E HN 0.210 nan 8.360 nan 0.000 0.419 885 V N 6.688 126.591 119.914 -0.018 0.000 2.328 885 V HA 0.144 4.264 4.120 -0.000 0.000 0.278 885 V C -0.282 175.902 176.094 0.150 0.000 1.021 885 V CA -0.560 61.731 62.300 -0.015 0.000 0.838 885 V CB 0.601 32.265 31.823 -0.264 0.000 0.999 885 V HN 0.646 nan 8.190 nan 0.000 0.447 886 F N 4.995 124.977 119.950 0.052 0.000 2.640 886 F HA 0.663 5.190 4.527 -0.000 0.000 0.354 886 F C 0.928 176.820 175.800 0.154 0.000 1.213 886 F CA -0.037 58.031 58.000 0.113 0.000 1.314 886 F CB -0.018 39.080 39.000 0.163 0.000 1.679 886 F HN 0.590 nan 8.300 nan 0.000 0.622 887 G N 1.761 110.591 108.800 0.051 0.000 2.619 887 G HA2 0.337 4.297 3.960 -0.000 0.000 0.305 887 G HA3 0.337 4.297 3.960 -0.000 0.000 0.305 887 G C -3.067 171.906 174.900 0.122 0.000 1.330 887 G CA -0.941 44.210 45.100 0.085 0.000 0.789 887 G HN -0.138 nan 8.290 nan 0.000 0.487 888 P HA 0.355 nan 4.420 nan 0.000 0.220 888 P C -0.608 176.981 177.300 0.483 0.000 1.806 888 P CA 0.080 63.421 63.100 0.401 0.000 0.976 888 P CB -0.506 31.396 31.700 0.336 0.000 1.952 889 I N 1.940 122.725 120.570 0.358 0.000 2.466 889 I HA 0.223 4.393 4.170 -0.000 0.000 0.279 889 I C -0.157 176.048 176.117 0.145 0.000 1.033 889 I CA -1.115 60.371 61.300 0.310 0.000 1.123 889 I CB 1.844 40.009 38.000 0.275 0.000 1.237 889 I HN -0.037 nan 8.210 nan 0.000 0.460 890 L N 7.180 128.520 121.223 0.195 0.000 2.305 890 L HA 0.443 4.783 4.340 -0.000 0.000 0.281 890 L C -0.662 176.169 176.870 -0.065 0.000 1.085 890 L CA 0.303 55.168 54.840 0.041 0.000 0.813 890 L CB 0.330 42.412 42.059 0.040 0.000 1.157 890 L HN 0.408 nan 8.230 nan 0.000 0.436 891 H N 3.147 122.315 119.070 0.162 0.000 2.492 891 H HA 0.739 5.294 4.556 -0.000 0.000 0.345 891 H C -0.878 174.470 175.328 0.033 0.000 1.136 891 H CA -0.757 55.387 56.048 0.160 0.000 1.202 891 H CB 1.746 31.585 29.762 0.129 0.000 1.524 891 H HN 0.407 nan 8.280 nan 0.000 0.506 892 V N 3.173 123.178 119.914 0.153 0.000 2.638 892 V HA 0.377 4.497 4.120 -0.000 0.000 0.306 892 V C -0.707 175.401 176.094 0.025 0.000 1.052 892 V CA -0.813 61.507 62.300 0.033 0.000 0.885 892 V CB 2.101 33.945 31.823 0.036 0.000 0.999 892 V HN 0.510 nan 8.190 nan 0.000 0.424 893 V N 5.119 124.990 119.914 -0.072 0.000 2.444 893 V HA 0.518 4.638 4.120 -0.000 0.000 0.294 893 V C 0.154 176.363 176.094 0.192 0.000 1.022 893 V CA -0.826 61.497 62.300 0.038 0.000 0.850 893 V CB 1.871 33.675 31.823 -0.032 0.000 0.992 893 V HN 1.013 nan 8.190 nan 0.000 0.426 894 R N 4.504 125.130 120.500 0.209 0.000 2.459 894 R HA 0.708 5.048 4.340 -0.000 0.000 0.281 894 R C -0.991 175.512 176.300 0.337 0.000 1.050 894 R CA -0.464 55.782 56.100 0.242 0.000 1.055 894 R CB 1.057 31.435 30.300 0.130 0.000 1.045 894 R HN 0.744 nan 8.270 nan 0.000 0.495 895 Y N -1.493 118.894 120.300 0.146 0.000 2.615 895 Y HA 0.545 5.095 4.550 -0.000 0.000 0.341 895 Y C -1.160 174.799 175.900 0.097 0.000 1.089 895 Y CA -1.692 56.487 58.100 0.132 0.000 1.049 895 Y CB 1.482 40.036 38.460 0.157 0.000 1.296 895 Y HN 0.498 nan 8.280 nan 0.000 0.470 896 R N 2.059 122.609 120.500 0.084 0.000 2.349 896 R HA 0.310 4.650 4.340 -0.000 0.000 0.299 896 R C -2.260 174.056 176.300 0.028 0.000 1.027 896 R CA -1.757 54.337 56.100 -0.011 0.000 0.958 896 R CB 0.961 31.296 30.300 0.058 0.000 1.047 896 R HN 0.451 nan 8.270 nan 0.000 0.468 897 P HA -0.266 nan 4.420 nan 0.000 0.216 897 P C 0.942 178.325 177.300 0.138 0.000 1.153 897 P CA 1.290 64.419 63.100 0.049 0.000 0.858 897 P CB 0.151 31.876 31.700 0.042 0.000 0.789 898 E N -0.899 119.361 120.200 0.099 0.000 2.409 898 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 898 E C 0.444 177.102 176.600 0.097 0.000 1.024 898 E CA 1.023 57.473 56.400 0.083 0.000 0.861 898 E CB -0.942 28.788 29.700 0.051 0.000 0.788 898 E HN 0.223 nan 8.360 nan 0.000 0.521 899 N N 0.869 119.659 118.700 0.150 0.000 2.320 899 N HA 0.066 4.806 4.740 -0.000 0.000 0.237 899 N C 1.150 176.731 175.510 0.119 0.000 1.129 899 N CA -0.105 53.026 53.050 0.136 0.000 0.854 899 N CB 0.384 38.962 38.487 0.152 0.000 1.083 899 N HN 0.153 nan 8.380 nan 0.000 0.504 900 L N 1.046 122.344 121.223 0.126 0.000 2.127 900 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 900 L C 2.176 178.984 176.870 -0.104 0.000 1.089 900 L CA 1.828 56.662 54.840 -0.011 0.000 0.757 900 L CB -0.235 41.859 42.059 0.058 0.000 0.899 900 L HN 0.061 nan 8.230 nan 0.000 0.434 901 E N 0.714 120.891 120.200 -0.039 0.000 2.097 901 E HA -0.293 4.057 4.350 -0.000 0.000 0.196 901 E C 2.324 178.878 176.600 -0.077 0.000 1.000 901 E CA 2.087 58.456 56.400 -0.050 0.000 0.804 901 E CB -0.366 29.324 29.700 -0.017 0.000 0.740 901 E HN 0.666 nan 8.360 nan 0.000 0.454 902 R N -0.087 120.375 120.500 -0.063 0.000 2.236 902 R HA 0.027 4.367 4.340 -0.000 0.000 0.208 902 R C 1.851 178.064 176.300 -0.144 0.000 1.036 902 R CA 1.032 57.094 56.100 -0.062 0.000 1.001 902 R CB -0.266 30.030 30.300 -0.007 0.000 0.896 902 R HN 0.130 nan 8.270 nan 0.000 0.464 903 V N 1.916 121.657 119.914 -0.288 0.000 2.358 903 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 903 V C 2.436 178.213 176.094 -0.528 0.000 1.047 903 V CA 1.538 63.458 62.300 -0.633 0.000 1.035 903 V CB -0.362 30.867 31.823 -0.990 0.000 0.658 903 V HN 0.271 nan 8.190 nan 0.000 0.452 904 L N -0.639 120.389 121.223 -0.325 0.000 2.056 904 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 904 L C 2.778 179.573 176.870 -0.125 0.000 1.078 904 L CA 1.508 56.224 54.840 -0.206 0.000 0.749 904 L CB -0.604 41.373 42.059 -0.137 0.000 0.901 904 L HN 0.220 nan 8.230 nan 0.000 0.433 905 R N 0.071 120.512 120.500 -0.097 0.000 2.096 905 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 905 R C 2.415 178.699 176.300 -0.026 0.000 1.127 905 R CA 1.256 57.328 56.100 -0.047 0.000 0.968 905 R CB -0.492 29.790 30.300 -0.030 0.000 0.861 905 R HN 0.347 nan 8.270 nan 0.000 0.440 906 A N 1.348 124.143 122.820 -0.041 0.000 1.933 906 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 906 A C 2.143 179.769 177.584 0.069 0.000 1.175 906 A CA 1.164 53.223 52.037 0.036 0.000 0.628 906 A CB -0.394 18.661 19.000 0.091 0.000 0.814 906 A HN 0.166 nan 8.150 nan 0.000 0.444 907 I N -0.622 119.952 120.570 0.007 0.000 2.252 907 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 907 I C 2.420 178.572 176.117 0.058 0.000 1.102 907 I CA 1.388 62.724 61.300 0.060 0.000 1.385 907 I CB -0.388 37.613 38.000 0.002 0.000 1.064 907 I HN 0.396 nan 8.210 nan 0.000 0.414 908 E N 0.464 120.675 120.200 0.019 0.000 2.153 908 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 908 E C 2.234 178.853 176.600 0.032 0.000 0.988 908 E CA 0.756 57.167 56.400 0.019 0.000 0.811 908 E CB -0.107 29.592 29.700 -0.002 0.000 0.746 908 E HN 0.326 nan 8.360 nan 0.000 0.466 909 R N 0.668 121.192 120.500 0.041 0.000 2.120 909 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 909 R C 2.442 178.777 176.300 0.060 0.000 1.123 909 R CA 1.754 57.880 56.100 0.043 0.000 0.975 909 R CB -0.200 30.129 30.300 0.048 0.000 0.866 909 R HN 0.233 nan 8.270 nan 0.000 0.446 910 T N -3.470 111.145 114.554 0.101 0.000 2.867 910 T HA 0.043 4.393 4.350 -0.000 0.000 0.268 910 T C 1.522 176.270 174.700 0.080 0.000 1.057 910 T CA 1.293 63.488 62.100 0.157 0.000 1.136 910 T CB -0.004 69.033 68.868 0.281 0.000 0.874 910 T HN 0.454 nan 8.240 nan 0.000 0.466 911 G N -0.138 108.679 108.800 0.028 0.000 2.217 911 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.246 911 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.246 911 G C 0.035 174.847 174.900 -0.146 0.000 0.990 911 G CA 0.201 45.248 45.100 -0.088 0.000 0.627 911 G HN 0.644 nan 8.290 nan 0.000 0.522 912 Y N 0.102 120.422 120.300 0.033 0.000 2.260 912 Y HA 0.474 5.024 4.550 -0.000 0.000 0.339 912 Y C 1.368 177.286 175.900 0.030 0.000 1.317 912 Y CA 0.788 58.910 58.100 0.037 0.000 1.514 912 Y CB 1.397 39.889 38.460 0.053 0.000 1.382 912 Y HN 0.533 nan 8.280 nan 0.000 0.581 913 G N 0.804 109.727 108.800 0.205 0.000 4.695 913 G HA2 0.232 4.192 3.960 -0.000 0.000 0.229 913 G HA3 0.232 4.192 3.960 -0.000 0.000 0.229 913 G C -0.669 174.267 174.900 0.059 0.000 2.630 913 G CA -0.268 44.893 45.100 0.101 0.000 0.626 913 G HN 0.483 nan 8.290 nan 0.000 0.234 914 L N 0.819 122.090 121.223 0.080 0.000 2.370 914 L HA 0.612 4.952 4.340 -0.000 0.000 0.191 914 L C 1.400 178.273 176.870 0.005 0.000 1.203 914 L CA 2.057 56.901 54.840 0.007 0.000 0.825 914 L CB -0.003 42.102 42.059 0.076 0.000 1.048 914 L HN 0.358 nan 8.230 nan 0.000 0.487 915 T N -1.215 113.407 114.554 0.113 0.000 2.912 915 T HA 0.601 4.951 4.350 -0.000 0.000 0.288 915 T C -0.958 173.844 174.700 0.170 0.000 1.030 915 T CA -0.533 61.680 62.100 0.188 0.000 1.020 915 T CB 1.939 71.008 68.868 0.335 0.000 1.056 915 T HN 0.254 nan 8.240 nan 0.000 0.480 916 L N 1.157 122.493 121.223 0.189 0.000 2.493 916 L HA 0.784 5.124 4.340 -0.000 0.000 0.265 916 L C -0.237 176.758 176.870 0.209 0.000 0.954 916 L CA -0.125 54.814 54.840 0.165 0.000 0.844 916 L CB 1.865 43.987 42.059 0.104 0.000 1.302 916 L HN 1.090 nan 8.230 nan 0.000 0.405 917 G N 3.498 112.421 108.800 0.205 0.000 2.371 917 G HA2 0.634 4.594 3.960 -0.000 0.000 0.326 917 G HA3 0.634 4.594 3.960 -0.000 0.000 0.326 917 G C -1.564 173.455 174.900 0.199 0.000 1.127 917 G CA -0.537 44.698 45.100 0.226 0.000 0.885 917 G HN 0.542 nan 8.290 nan 0.000 0.477 918 V N 2.196 122.218 119.914 0.180 0.000 2.525 918 V HA 0.317 4.437 4.120 -0.000 0.000 0.299 918 V C -1.124 175.039 176.094 0.114 0.000 1.034 918 V CA -0.835 61.553 62.300 0.147 0.000 0.863 918 V CB 1.593 33.466 31.823 0.083 0.000 0.999 918 V HN 0.856 nan 8.190 nan 0.000 0.423 919 H N 2.309 121.436 119.070 0.095 0.000 2.638 919 H HA 0.777 5.333 4.556 -0.000 0.000 0.317 919 H C -0.197 175.182 175.328 0.085 0.000 1.006 919 H CA 0.248 56.347 56.048 0.084 0.000 1.222 919 H CB 1.559 31.369 29.762 0.080 0.000 1.419 919 H HN 0.729 nan 8.280 nan 0.000 0.489 920 S N 2.429 118.188 115.700 0.098 0.000 2.558 920 S HA 0.196 4.666 4.470 -0.000 0.000 0.277 920 S C 0.262 174.895 174.600 0.055 0.000 1.143 920 S CA -0.891 57.365 58.200 0.094 0.000 0.865 920 S CB 1.284 64.539 63.200 0.092 0.000 1.102 920 S HN 0.771 nan 8.310 nan 0.000 0.454 921 R N 2.416 122.952 120.500 0.061 0.000 2.276 921 R HA 0.343 4.682 4.340 -0.000 0.000 0.196 921 R C -0.008 176.317 176.300 0.042 0.000 0.961 921 R CA 0.476 56.604 56.100 0.046 0.000 1.024 921 R CB -0.069 30.260 30.300 0.050 0.000 0.940 921 R HN 0.695 nan 8.270 nan 0.000 0.480 922 I N 1.980 122.580 120.570 0.050 0.000 2.281 922 I HA 0.031 4.201 4.170 -0.000 0.000 0.293 922 I C 0.219 176.359 176.117 0.037 0.000 1.085 922 I CA -0.487 60.842 61.300 0.048 0.000 1.257 922 I CB 1.398 39.436 38.000 0.063 0.000 1.430 922 I HN 0.006 nan 8.210 nan 0.000 0.489 923 D N 3.729 124.144 120.400 0.025 0.000 2.158 923 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 923 D C 1.418 177.728 176.300 0.018 0.000 0.995 923 D CA 1.559 55.569 54.000 0.017 0.000 0.846 923 D CB 0.157 40.963 40.800 0.009 0.000 0.941 923 D HN 0.515 nan 8.370 nan 0.000 0.456 924 D N -0.020 120.392 120.400 0.020 0.000 2.144 924 D HA -0.053 4.587 4.640 -0.000 0.000 0.200 924 D C 2.081 178.398 176.300 0.029 0.000 0.978 924 D CA 0.635 54.647 54.000 0.021 0.000 0.833 924 D CB -0.024 40.789 40.800 0.021 0.000 0.961 924 D HN 0.065 nan 8.370 nan 0.000 0.470 925 S N 0.532 116.256 115.700 0.041 0.000 2.357 925 S HA -0.043 4.427 4.470 -0.000 0.000 0.221 925 S C 2.248 176.870 174.600 0.038 0.000 1.031 925 S CA 0.324 58.553 58.200 0.048 0.000 0.982 925 S CB -0.040 63.201 63.200 0.069 0.000 0.853 925 S HN 0.238 nan 8.310 nan 0.000 0.458 926 I N 1.677 122.268 120.570 0.035 0.000 2.151 926 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 926 I C 2.514 178.640 176.117 0.015 0.000 1.080 926 I CA 1.484 62.800 61.300 0.026 0.000 1.339 926 I CB -0.412 37.599 38.000 0.019 0.000 1.039 926 I HN 0.327 nan 8.210 nan 0.000 0.409 927 E N 0.645 120.852 120.200 0.012 0.000 2.106 927 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 927 E C 2.325 178.928 176.600 0.005 0.000 0.984 927 E CA 1.132 57.535 56.400 0.006 0.000 0.806 927 E CB -0.159 29.544 29.700 0.005 0.000 0.750 927 E HN 0.519 nan 8.360 nan 0.000 0.458 928 A N 0.899 123.724 122.820 0.009 0.000 1.930 928 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 928 A C 2.127 179.710 177.584 -0.001 0.000 1.175 928 A CA 0.994 53.035 52.037 0.006 0.000 0.627 928 A CB -0.468 18.540 19.000 0.013 0.000 0.815 928 A HN 0.136 nan 8.150 nan 0.000 0.443 929 I N -0.434 120.137 120.570 0.001 0.000 2.202 929 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 929 I C 2.283 178.395 176.117 -0.009 0.000 1.091 929 I CA 1.218 62.513 61.300 -0.008 0.000 1.368 929 I CB -0.296 37.703 38.000 -0.001 0.000 1.058 929 I HN 0.284 nan 8.210 nan 0.000 0.410 930 I N 0.850 121.417 120.570 -0.005 0.000 2.208 930 I HA -0.355 3.815 4.170 -0.000 0.000 0.245 930 I C 2.232 178.342 176.117 -0.012 0.000 1.097 930 I CA 1.975 63.270 61.300 -0.010 0.000 1.363 930 I CB -0.447 37.547 38.000 -0.011 0.000 1.051 930 I HN 0.315 nan 8.210 nan 0.000 0.413 931 D N 0.535 120.929 120.400 -0.009 0.000 2.144 931 D HA -0.258 4.382 4.640 -0.000 0.000 0.199 931 D C 2.243 178.536 176.300 -0.012 0.000 0.984 931 D CA 1.210 55.204 54.000 -0.010 0.000 0.834 931 D CB 0.075 40.871 40.800 -0.006 0.000 0.955 931 D HN 0.019 nan 8.370 nan 0.000 0.465 932 R N 0.447 120.939 120.500 -0.014 0.000 2.075 932 R HA 0.060 4.400 4.340 -0.000 0.000 0.226 932 R C 0.465 176.754 176.300 -0.018 0.000 1.114 932 R CA 1.136 57.225 56.100 -0.018 0.000 0.972 932 R CB -0.552 29.733 30.300 -0.024 0.000 0.869 932 R HN 0.173 nan 8.270 nan 0.000 0.437 933 V N -0.988 118.916 119.914 -0.017 0.000 2.997 933 V HA 0.337 4.457 4.120 -0.000 0.000 0.311 933 V C 0.245 176.332 176.094 -0.012 0.000 1.066 933 V CA -0.512 61.780 62.300 -0.013 0.000 1.039 933 V CB 1.803 33.621 31.823 -0.009 0.000 1.081 933 V HN 0.309 nan 8.190 nan 0.000 0.467 934 Q N 0.923 120.718 119.800 -0.008 0.000 2.217 934 Q HA 0.316 4.656 4.340 -0.000 0.000 0.217 934 Q C 0.262 176.253 176.000 -0.015 0.000 0.844 934 Q CA -0.262 55.534 55.803 -0.013 0.000 0.957 934 Q CB 1.414 30.145 28.738 -0.012 0.000 1.127 934 Q HN 0.717 nan 8.270 nan 0.000 0.503 935 V N 1.086 120.996 119.914 -0.006 0.000 2.872 935 V HA -0.175 3.945 4.120 -0.000 0.000 0.302 935 V C 1.660 177.729 176.094 -0.042 0.000 1.166 935 V CA 1.428 63.724 62.300 -0.008 0.000 1.298 935 V CB 0.818 32.648 31.823 0.012 0.000 0.894 935 V HN 0.513 nan 8.190 nan 0.000 0.509 936 G N 3.796 112.554 108.800 -0.069 0.000 2.402 936 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 936 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 936 G C 0.443 175.256 174.900 -0.146 0.000 1.162 936 G CA 0.484 45.512 45.100 -0.120 0.000 0.777 936 G HN 0.716 nan 8.290 nan 0.000 0.539 937 N N -0.533 118.079 118.700 -0.147 0.000 2.461 937 N HA 0.512 5.252 4.740 -0.000 0.000 0.284 937 N C -1.250 174.131 175.510 -0.215 0.000 1.049 937 N CA -0.372 52.554 53.050 -0.206 0.000 0.889 937 N CB 2.385 40.792 38.487 -0.134 0.000 1.365 937 N HN 0.016 nan 8.380 nan 0.000 0.499 938 I N 2.404 122.800 120.570 -0.290 0.000 2.354 938 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 938 I C -0.877 175.047 176.117 -0.321 0.000 0.989 938 I CA -0.726 60.465 61.300 -0.182 0.000 1.188 938 I CB 0.830 38.778 38.000 -0.086 0.000 1.342 938 I HN 0.389 nan 8.210 nan 0.000 0.457 939 Y N 5.023 125.348 120.300 0.042 0.000 2.328 939 Y HA 0.493 5.043 4.550 -0.000 0.000 0.336 939 Y C -0.263 175.643 175.900 0.009 0.000 0.960 939 Y CA -0.929 57.191 58.100 0.033 0.000 1.134 939 Y CB 1.925 40.417 38.460 0.053 0.000 1.166 939 Y HN 0.162 nan 8.280 nan 0.000 0.464 940 V N 3.983 123.958 119.914 0.103 0.000 2.384 940 V HA 0.245 4.365 4.120 -0.000 0.000 0.287 940 V C -0.201 175.829 176.094 -0.107 0.000 1.020 940 V CA -1.176 61.121 62.300 -0.005 0.000 0.850 940 V CB 1.152 32.968 31.823 -0.012 0.000 0.987 940 V HN 0.954 nan 8.190 nan 0.000 0.436 941 N N 3.225 121.700 118.700 -0.375 0.000 2.735 941 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 941 N C 0.034 175.369 175.510 -0.290 0.000 1.083 941 N CA 1.482 54.145 53.050 -0.646 0.000 0.703 941 N CB -0.690 37.627 38.487 -0.283 0.000 1.005 941 N HN 1.021 nan 8.380 nan 0.000 0.550 942 R N -2.306 118.133 120.500 -0.103 0.000 2.762 942 R HA 0.494 4.834 4.340 -0.000 0.000 0.271 942 R C -0.317 176.059 176.300 0.128 0.000 1.038 942 R CA -0.885 55.262 56.100 0.077 0.000 0.906 942 R CB 0.365 30.697 30.300 0.054 0.000 1.259 942 R HN 0.021 nan 8.270 nan 0.000 0.457 943 N N 0.035 118.752 118.700 0.028 0.000 2.326 943 N HA 0.064 4.804 4.740 -0.000 0.000 0.239 943 N C 0.042 175.390 175.510 -0.269 0.000 1.301 943 N CA -0.281 52.733 53.050 -0.061 0.000 0.909 943 N CB 0.356 38.792 38.487 -0.086 0.000 1.156 943 N HN 0.756 nan 8.380 nan 0.000 0.462 944 M N -0.452 118.968 119.600 -0.300 0.000 2.419 944 M HA 0.319 4.799 4.480 -0.000 0.000 0.252 944 M C -0.126 175.827 176.300 -0.579 0.000 1.143 944 M CA -0.135 54.860 55.300 -0.509 0.000 0.985 944 M CB -0.286 32.274 32.600 -0.067 0.000 1.489 944 M HN 0.625 nan 8.290 nan 0.000 0.484 945 I N -4.557 115.737 120.570 -0.461 0.000 3.206 945 I HA 0.917 5.087 4.170 -0.000 0.000 0.313 945 I C 0.601 176.566 176.117 -0.252 0.000 1.103 945 I CA -0.955 60.186 61.300 -0.264 0.000 0.985 945 I CB 1.556 39.477 38.000 -0.132 0.000 1.240 945 I HN 0.186 nan 8.210 nan 0.000 0.464 946 G N 1.985 110.670 108.800 -0.192 0.000 2.289 946 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.280 946 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.280 946 G C 0.282 175.077 174.900 -0.174 0.000 1.089 946 G CA 0.006 45.004 45.100 -0.170 0.000 0.939 946 G HN 1.393 nan 8.290 nan 0.000 0.499 947 A N -0.641 122.047 122.820 -0.219 0.000 2.567 947 A HA 0.505 4.825 4.320 -0.000 0.000 0.240 947 A C 0.810 178.274 177.584 -0.201 0.000 1.053 947 A CA 0.639 52.612 52.037 -0.106 0.000 0.755 947 A CB 0.660 19.605 19.000 -0.091 0.000 0.978 947 A HN 1.360 nan 8.150 nan 0.000 0.507 948 V N 4.716 124.545 119.914 -0.142 0.000 2.407 948 V HA 0.144 4.263 4.120 -0.000 0.000 0.278 948 V C 0.444 176.333 176.094 -0.343 0.000 1.037 948 V CA -0.589 61.581 62.300 -0.216 0.000 0.900 948 V CB 1.404 33.167 31.823 -0.099 0.000 0.983 948 V HN 0.657 nan 8.190 nan 0.000 0.459 949 V N 5.585 125.178 119.914 -0.535 0.000 2.539 949 V HA 0.234 4.354 4.120 -0.000 0.000 0.300 949 V C 1.558 177.162 176.094 -0.816 0.000 1.019 949 V CA 1.753 63.600 62.300 -0.755 0.000 1.160 949 V CB -0.075 31.171 31.823 -0.962 0.000 0.901 949 V HN 1.318 nan 8.190 nan 0.000 0.481 950 G N 3.434 111.655 108.800 -0.966 0.000 2.179 950 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 950 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 950 G C 0.415 175.043 174.900 -0.453 0.000 0.977 950 G CA 0.420 44.962 45.100 -0.930 0.000 0.641 950 G HN 0.713 nan 8.290 nan 0.000 0.533 951 V N -0.953 118.760 119.914 -0.335 0.000 2.948 951 V HA 0.285 4.405 4.120 -0.000 0.000 0.234 951 V C 1.052 177.096 176.094 -0.083 0.000 1.205 951 V CA 1.615 63.832 62.300 -0.139 0.000 1.234 951 V CB 0.518 32.310 31.823 -0.052 0.000 1.020 951 V HN 0.265 nan 8.190 nan 0.000 0.491 952 Q N 1.202 120.954 119.800 -0.081 0.000 2.560 952 Q HA 0.373 4.712 4.340 -0.000 0.000 0.238 952 Q C -2.733 173.260 176.000 -0.012 0.000 1.079 952 Q CA -1.719 54.075 55.803 -0.016 0.000 0.866 952 Q CB 1.203 29.995 28.738 0.091 0.000 1.153 952 Q HN 0.298 nan 8.270 nan 0.000 0.530 953 P HA -0.105 nan 4.420 nan 0.000 0.260 953 P C -1.153 176.199 177.300 0.086 0.000 1.185 953 P CA 0.333 63.434 63.100 0.002 0.000 0.763 953 P CB 0.202 31.917 31.700 0.024 0.000 0.776 954 F N 3.474 123.401 119.950 -0.038 0.000 2.480 954 F HA 0.744 5.271 4.527 -0.000 0.000 0.329 954 F C 0.427 176.243 175.800 0.026 0.000 1.091 954 F CA 0.351 58.347 58.000 -0.006 0.000 0.972 954 F CB 1.865 40.853 39.000 -0.020 0.000 1.150 954 F HN 0.574 nan 8.300 nan 0.000 0.467 955 G N 2.333 110.639 108.800 -0.824 0.000 2.312 955 G HA2 0.436 4.396 3.960 -0.000 0.000 0.347 955 G HA3 0.436 4.396 3.960 -0.000 0.000 0.347 955 G C -1.399 173.290 174.900 -0.352 0.000 1.564 955 G CA -0.383 44.422 45.100 -0.491 0.000 0.981 955 G HN 1.151 nan 8.290 nan 0.000 0.678 956 G N -0.241 108.434 108.800 -0.208 0.000 3.016 956 G HA2 0.852 4.812 3.960 -0.000 0.000 0.270 956 G HA3 0.852 4.812 3.960 -0.000 0.000 0.270 956 G C -0.178 174.700 174.900 -0.037 0.000 1.352 956 G CA -0.171 44.859 45.100 -0.116 0.000 1.060 956 G HN 1.176 nan 8.290 nan 0.000 0.538 957 N N -1.663 117.027 118.700 -0.017 0.000 3.091 957 N HA 0.600 5.340 4.740 -0.000 0.000 0.329 957 N C 0.736 176.243 175.510 -0.005 0.000 1.430 957 N CA -0.125 52.920 53.050 -0.009 0.000 0.755 957 N CB 1.044 39.520 38.487 -0.018 0.000 1.626 957 N HN 1.302 nan 8.380 nan 0.000 0.614 958 G N 0.565 109.351 108.800 -0.024 0.000 2.596 958 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.295 958 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.295 958 G C 0.591 175.444 174.900 -0.078 0.000 1.240 958 G CA 0.574 45.642 45.100 -0.053 0.000 0.985 958 G HN 0.523 nan 8.290 nan 0.000 0.555 959 L N 0.943 122.057 121.223 -0.182 0.000 2.549 959 L HA 0.045 4.385 4.340 -0.000 0.000 0.229 959 L C 2.701 179.548 176.870 -0.039 0.000 1.158 959 L CA 1.339 56.014 54.840 -0.276 0.000 0.842 959 L CB -0.229 41.309 42.059 -0.868 0.000 0.952 959 L HN 0.411 nan 8.230 nan 0.000 0.452 960 S N -0.812 114.934 115.700 0.077 0.000 2.524 960 S HA 0.317 4.786 4.470 -0.000 0.000 0.216 960 S C 0.752 175.419 174.600 0.111 0.000 0.987 960 S CA 0.538 58.848 58.200 0.183 0.000 0.909 960 S CB 0.558 63.866 63.200 0.179 0.000 0.781 960 S HN 0.599 nan 8.310 nan 0.000 0.521 961 G N 0.330 109.171 108.800 0.070 0.000 2.321 961 G HA2 0.276 4.236 3.960 -0.000 0.000 0.298 961 G HA3 0.276 4.236 3.960 -0.000 0.000 0.298 961 G C 0.207 175.134 174.900 0.046 0.000 1.385 961 G CA 0.012 45.156 45.100 0.072 0.000 0.856 961 G HN 0.059 nan 8.290 nan 0.000 0.584 962 T N -2.153 112.436 114.554 0.058 0.000 3.037 962 T HA 0.510 4.859 4.350 -0.000 0.000 0.252 962 T C 1.645 176.365 174.700 0.034 0.000 1.073 962 T CA 1.307 63.428 62.100 0.035 0.000 1.091 962 T CB -0.030 68.858 68.868 0.032 0.000 0.935 962 T HN 2.709 nan 8.240 nan 0.000 0.488 963 G N 2.671 111.508 108.800 0.062 0.000 2.828 963 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.463 963 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.463 963 G C -2.907 172.050 174.900 0.095 0.000 1.394 963 G CA -0.572 44.579 45.100 0.086 0.000 0.862 963 G HN 0.526 nan 8.290 nan 0.000 0.540 964 P HA 0.332 nan 4.420 nan 0.000 0.276 964 P C -0.280 177.228 177.300 0.348 0.000 1.261 964 P CA -0.337 62.896 63.100 0.221 0.000 0.800 964 P CB 0.584 32.445 31.700 0.269 0.000 1.066 965 K N 0.576 121.141 120.400 0.275 0.000 2.416 965 K HA 0.355 4.674 4.320 -0.000 0.000 0.283 965 K C 0.540 177.237 176.600 0.162 0.000 1.037 965 K CA -0.270 56.135 56.287 0.197 0.000 0.995 965 K CB 0.097 32.671 32.500 0.122 0.000 0.938 965 K HN 0.477 nan 8.250 nan 0.000 0.475 966 A N 2.223 125.002 122.820 -0.068 0.000 2.520 966 A HA 0.342 4.662 4.320 -0.000 0.000 0.235 966 A C 1.264 178.813 177.584 -0.058 0.000 1.065 966 A CA 0.563 52.293 52.037 -0.511 0.000 0.764 966 A CB -0.393 18.448 19.000 -0.265 0.000 1.002 966 A HN 0.979 nan 8.150 nan 0.000 0.502 967 G N 0.733 109.585 108.800 0.086 0.000 2.179 967 G HA2 0.130 4.090 3.960 -0.000 0.000 0.257 967 G HA3 0.130 4.090 3.960 -0.000 0.000 0.257 967 G C 0.706 175.475 174.900 -0.217 0.000 1.010 967 G CA 0.910 45.941 45.100 -0.116 0.000 0.736 967 G HN 2.057 nan 8.290 nan 0.000 0.513 968 G N -1.485 107.420 108.800 0.176 0.000 2.714 968 G HA2 0.760 4.720 3.960 -0.000 0.000 0.292 968 G HA3 0.760 4.720 3.960 -0.000 0.000 0.292 968 G C -1.576 173.549 174.900 0.375 0.000 1.308 968 G CA -0.529 44.696 45.100 0.208 0.000 0.964 968 G HN -0.002 nan 8.290 nan 0.000 0.484 969 P HA 0.087 nan 4.420 nan 0.000 0.245 969 P C 0.512 177.707 177.300 -0.174 0.000 1.212 969 P CA 0.719 63.807 63.100 -0.020 0.000 0.774 969 P CB 0.166 31.748 31.700 -0.196 0.000 0.999 970 H N -3.395 115.801 119.070 0.210 0.000 2.652 970 H HA 0.168 4.724 4.556 -0.000 0.000 0.274 970 H C 0.989 176.464 175.328 0.245 0.000 1.021 970 H CA -0.176 55.976 56.048 0.174 0.000 1.187 970 H CB 0.133 29.974 29.762 0.132 0.000 1.505 970 H HN 0.119 nan 8.280 nan 0.000 0.530 971 Y N 1.734 122.184 120.300 0.251 0.000 2.153 971 Y HA -0.097 4.453 4.550 -0.000 0.000 0.289 971 Y C 2.300 178.375 175.900 0.291 0.000 1.127 971 Y CA 1.028 59.289 58.100 0.268 0.000 1.131 971 Y CB -0.352 38.283 38.460 0.292 0.000 0.995 971 Y HN 0.022 nan 8.280 nan 0.000 0.505 972 L N -0.608 120.760 121.223 0.242 0.000 2.046 972 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 972 L C 2.717 179.779 176.870 0.320 0.000 1.077 972 L CA 1.198 56.145 54.840 0.179 0.000 0.747 972 L CB -1.136 41.005 42.059 0.136 0.000 0.896 972 L HN 0.294 nan 8.230 nan 0.000 0.432 973 A N 0.371 123.316 122.820 0.208 0.000 1.958 973 A HA -0.311 4.009 4.320 -0.000 0.000 0.221 973 A C 2.332 180.016 177.584 0.167 0.000 1.178 973 A CA 2.235 54.386 52.037 0.190 0.000 0.642 973 A CB -0.596 18.476 19.000 0.119 0.000 0.816 973 A HN 0.322 nan 8.150 nan 0.000 0.453 974 R N -1.266 119.288 120.500 0.091 0.000 2.189 974 R HA -0.031 4.309 4.340 -0.000 0.000 0.223 974 R C 1.010 177.225 176.300 -0.141 0.000 1.092 974 R CA 1.259 57.318 56.100 -0.069 0.000 0.989 974 R CB -0.639 29.529 30.300 -0.219 0.000 0.876 974 R HN 0.508 nan 8.270 nan 0.000 0.457 975 F N -0.575 119.313 119.950 -0.103 0.000 2.797 975 F HA 0.358 4.884 4.527 -0.000 0.000 0.302 975 F C 0.899 176.704 175.800 0.007 0.000 1.130 975 F CA 0.273 58.167 58.000 -0.177 0.000 1.387 975 F CB 0.070 38.765 39.000 -0.508 0.000 1.107 975 F HN 0.026 nan 8.300 nan 0.000 0.577 976 A N -0.891 122.056 122.820 0.211 0.000 2.387 976 A HA 0.719 5.039 4.320 -0.000 0.000 0.303 976 A C -0.354 177.317 177.584 0.144 0.000 1.145 976 A CA -0.475 51.666 52.037 0.174 0.000 0.801 976 A CB 1.079 20.224 19.000 0.243 0.000 1.342 976 A HN -0.040 nan 8.150 nan 0.000 0.440 977 T N -0.180 114.447 114.554 0.122 0.000 2.887 977 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 977 T C -0.645 174.111 174.700 0.093 0.000 1.021 977 T CA -0.408 61.747 62.100 0.093 0.000 1.000 977 T CB 0.790 69.702 68.868 0.073 0.000 1.034 977 T HN 0.628 nan 8.240 nan 0.000 0.467 978 E N 2.114 122.359 120.200 0.074 0.000 2.343 978 E HA 0.379 4.729 4.350 -0.000 0.000 0.269 978 E C -0.472 176.159 176.600 0.052 0.000 1.047 978 E CA -0.497 55.943 56.400 0.067 0.000 0.874 978 E CB 1.194 30.926 29.700 0.053 0.000 1.033 978 E HN 0.475 nan 8.360 nan 0.000 0.409 979 Q N 1.462 121.291 119.800 0.049 0.000 2.285 979 Q HA 0.261 4.601 4.340 -0.000 0.000 0.269 979 Q C -1.554 174.464 176.000 0.029 0.000 1.030 979 Q CA -0.505 55.320 55.803 0.037 0.000 0.788 979 Q CB 1.768 30.527 28.738 0.036 0.000 1.266 979 Q HN 0.438 nan 8.270 nan 0.000 0.438 980 T N 2.738 117.306 114.554 0.023 0.000 2.767 980 T HA 0.448 4.798 4.350 -0.000 0.000 0.284 980 T C -0.719 173.989 174.700 0.015 0.000 0.973 980 T CA -0.409 61.702 62.100 0.018 0.000 0.996 980 T CB 1.140 70.017 68.868 0.016 0.000 0.927 980 T HN 0.362 nan 8.240 nan 0.000 0.456 981 V N 4.155 124.076 119.914 0.012 0.000 2.384 981 V HA 0.442 4.562 4.120 -0.000 0.000 0.287 981 V C 0.160 176.259 176.094 0.007 0.000 1.020 981 V CA -0.635 61.670 62.300 0.009 0.000 0.850 981 V CB 1.674 33.502 31.823 0.008 0.000 0.987 981 V HN 0.965 nan 8.190 nan 0.000 0.436 982 T N 6.828 121.386 114.554 0.006 0.000 2.786 982 T HA 0.662 5.012 4.350 -0.000 0.000 0.283 982 T C -0.353 174.350 174.700 0.004 0.000 0.992 982 T CA -0.112 61.991 62.100 0.005 0.000 0.954 982 T CB 0.778 69.649 68.868 0.005 0.000 0.934 982 T HN 0.384 nan 8.240 nan 0.000 0.440 983 I N 3.490 124.062 120.570 0.003 0.000 2.406 983 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 983 I C 0.082 176.200 176.117 0.002 0.000 0.999 983 I CA -1.040 60.262 61.300 0.002 0.000 1.124 983 I CB 1.609 39.610 38.000 0.002 0.000 1.289 983 I HN 0.427 nan 8.210 nan 0.000 0.441 984 N N 4.279 122.981 118.700 0.002 0.000 2.406 984 N HA 0.022 4.762 4.740 -0.000 0.000 0.265 984 N C 0.865 176.376 175.510 0.001 0.000 1.203 984 N CA 0.052 53.103 53.050 0.002 0.000 0.945 984 N CB 0.742 39.230 38.487 0.002 0.000 1.165 984 N HN 0.724 nan 8.380 nan 0.000 0.485 985 T N 0.258 114.813 114.554 0.001 0.000 3.086 985 T HA 0.209 4.559 4.350 -0.000 0.000 0.250 985 T C 1.642 176.342 174.700 0.001 0.000 1.074 985 T CA 0.236 62.337 62.100 0.001 0.000 0.988 985 T CB 0.021 68.890 68.868 0.001 0.000 0.988 985 T HN 0.342 nan 8.240 nan 0.000 0.530 986 A N 1.858 124.678 122.820 0.001 0.000 1.986 986 A HA 0.168 4.488 4.320 -0.000 0.000 0.220 986 A C 2.728 180.312 177.584 0.001 0.000 1.171 986 A CA 1.735 53.772 52.037 0.001 0.000 0.640 986 A CB -1.336 17.664 19.000 0.001 0.000 0.811 986 A HN 0.773 nan 8.150 nan 0.000 0.451 987 A N -0.674 122.146 122.820 0.001 0.000 2.019 987 A HA 0.183 4.503 4.320 -0.000 0.000 0.219 987 A C 2.310 179.895 177.584 0.000 0.000 1.164 987 A CA 1.973 54.010 52.037 0.000 0.000 0.644 987 A CB -0.616 18.385 19.000 0.000 0.000 0.805 987 A HN 1.052 nan 8.150 nan 0.000 0.449 988 A N -1.921 120.899 122.820 0.000 0.000 1.997 988 A HA 0.508 4.828 4.320 -0.000 0.000 0.212 988 A C 1.317 178.901 177.584 0.000 0.000 1.178 988 A CA 1.422 53.459 52.037 0.000 0.000 0.698 988 A CB -0.346 18.654 19.000 -0.000 0.000 0.842 988 A HN 1.948 nan 8.150 nan 0.000 0.458 989 G N 0.000 108.800 108.800 0.000 0.000 5.446 989 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 989 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 989 G CA 0.000 45.100 45.100 0.000 0.000 0.502 989 G HN 0.000 nan 8.290 nan 0.000 0.925