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 1i1i_1_P DATA FIRST_RESID 14 DATA SEQUENCE MSSYTAAGRN VLRWDLSPEQ IKTRTEQLIA QTKQVYDTVG TIALKEVTYE DATA SEQUENCE NCLQVLADIE VTYIVERTML DFPQHVSSDR EVRAASTEAD KKLSRFDIEM DATA SEQUENCE SMREDVFQRI VHLQETCDLE KIKPEARRYL EKSIKMGKRN GLHLSEHIRN DATA SEQUENCE EIKSMKKRMS ELCIDFNKNL NEDDTSLVFS KAELGALPDD FIDSLEKTDE DATA SEQUENCE DKYKVTLKYP HYFPVMKKCC VPETRRKMEM AFHTRCKQEN TAILQQLLPL DATA SEQUENCE RAQVAKLLGY NTHADFVLEL NTAKSTSRVA AFLDDLSQKL KPLGEAEREF DATA SEQUENCE ILSLKKKECE ERGFEYDGKI NAWDLHYYMT QTEELKYSVD QESLKEYFPI DATA SEQUENCE EVVTEGLLSI YQELLGLSFE QVPDAHVWNK SVSLYTVKDK ATGEVLGQFY DATA SEQUENCE LDLYPREGKY NHAACFGLQP GCLLPDGSRM MSVAALVVNF SQPVAGRPSL DATA SEQUENCE LRHDEVRTYF HEFGHVMHQI CAQTDFARFS GTNVETDFVE VPSQMLENWV DATA SEQUENCE WDVDSLRKLS KHYKDGHPIT DELLEKLVAS RLVNTGLLTL RQIVLSKVDQ DATA SEQUENCE SLHTNATLDA ASEYAKYCTE ILGVAATPGT NMPATFGHLA GGYDGQYYGY DATA SEQUENCE LWSEVFSMDM FHSCFKKEGI MNPEVGMKYR NLILKPGGSL DGMDMLQNFL DATA SEQUENCE QREPNQKAFL MSRGL 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 14 M HA 0.000 nan 4.480 nan 0.000 0.227 14 M C 0.000 176.314 176.300 0.024 0.000 1.140 14 M CA 0.000 55.309 55.300 0.015 0.000 0.988 14 M CB 0.000 32.603 32.600 0.004 0.000 1.302 15 S N 0.394 116.121 115.700 0.045 0.000 2.603 15 S HA 0.360 4.865 4.470 0.059 0.000 0.268 15 S C 0.842 175.454 174.600 0.020 0.000 1.317 15 S CA -0.144 58.106 58.200 0.083 0.000 1.012 15 S CB 1.144 64.441 63.200 0.161 0.000 0.926 15 S HN 0.685 nan 8.310 nan 0.000 0.539 16 S N 2.018 117.692 115.700 -0.044 0.000 2.603 16 S HA 0.146 4.652 4.470 0.059 0.000 0.220 16 S C -0.077 174.146 174.600 -0.628 0.000 0.967 16 S CA 0.111 58.114 58.200 -0.328 0.000 0.920 16 S CB -0.320 62.622 63.200 -0.430 0.000 0.773 16 S HN 0.755 nan 8.310 nan 0.000 0.529 17 Y N 1.895 122.202 120.300 0.011 0.000 2.555 17 Y HA 0.263 4.849 4.550 0.059 0.000 0.259 17 Y C 1.091 176.998 175.900 0.011 0.000 1.179 17 Y CA -0.516 57.592 58.100 0.013 0.000 1.230 17 Y CB 0.069 38.535 38.460 0.010 0.000 1.146 17 Y HN 0.175 nan 8.280 nan 0.000 0.526 18 T N -4.564 110.020 114.554 0.050 0.000 2.843 18 T HA 0.719 5.105 4.350 0.059 0.000 0.302 18 T C 0.463 175.164 174.700 0.002 0.000 1.232 18 T CA -0.388 61.734 62.100 0.037 0.000 1.009 18 T CB 1.666 70.562 68.868 0.047 0.000 1.254 18 T HN -0.112 nan 8.240 nan 0.000 0.504 19 A N 0.289 123.109 122.820 -0.000 0.000 2.288 19 A HA 0.764 5.120 4.320 0.059 0.000 0.216 19 A C 1.456 179.037 177.584 -0.006 0.000 1.199 19 A CA 0.310 52.341 52.037 -0.011 0.000 0.891 19 A CB -0.630 18.358 19.000 -0.021 0.000 0.923 19 A HN 1.540 nan 8.150 nan 0.000 0.500 20 A N 0.095 122.914 122.820 -0.001 0.000 2.563 20 A HA 0.396 4.752 4.320 0.059 0.000 0.256 20 A C 1.699 179.282 177.584 -0.002 0.000 1.056 20 A CA 0.866 52.903 52.037 -0.001 0.000 0.775 20 A CB -1.100 17.902 19.000 0.004 0.000 0.973 20 A HN 2.020 nan 8.150 nan 0.000 0.516 21 G N 2.581 111.378 108.800 -0.005 0.000 2.184 21 G HA2 -0.310 3.686 3.960 0.059 0.000 0.264 21 G HA3 -0.310 3.686 3.960 0.059 0.000 0.264 21 G C 1.025 175.920 174.900 -0.008 0.000 0.975 21 G CA 0.716 45.811 45.100 -0.009 0.000 0.642 21 G HN 0.811 nan 8.290 nan 0.000 0.536 22 R N -0.121 120.377 120.500 -0.004 0.000 2.297 22 R HA 0.082 4.458 4.340 0.059 0.000 0.197 22 R C 0.485 176.789 176.300 0.006 0.000 0.943 22 R CA 0.639 56.737 56.100 -0.003 0.000 1.038 22 R CB 0.138 30.434 30.300 -0.007 0.000 0.957 22 R HN 0.345 nan 8.270 nan 0.000 0.484 23 N N 0.561 119.269 118.700 0.014 0.000 2.617 23 N HA 0.036 4.812 4.740 0.059 0.000 0.263 23 N C -0.478 175.046 175.510 0.023 0.000 1.074 23 N CA -0.352 52.721 53.050 0.039 0.000 0.841 23 N CB 1.699 40.233 38.487 0.079 0.000 1.221 23 N HN -0.107 nan 8.380 nan 0.000 0.529 24 V N 1.522 121.423 119.914 -0.022 0.000 2.854 24 V HA 0.469 4.624 4.120 0.059 0.000 0.366 24 V C 0.166 176.170 176.094 -0.151 0.000 1.322 24 V CA -0.581 61.677 62.300 -0.070 0.000 1.243 24 V CB -0.542 31.237 31.823 -0.072 0.000 1.337 24 V HN 0.327 nan 8.190 nan 0.000 0.585 25 L N 2.183 123.286 121.223 -0.200 0.000 2.367 25 L HA 0.525 4.900 4.340 0.059 0.000 0.275 25 L C 0.495 176.933 176.870 -0.720 0.000 1.129 25 L CA -0.185 54.357 54.840 -0.497 0.000 0.839 25 L CB 0.486 42.176 42.059 -0.614 0.000 1.133 25 L HN 0.267 nan 8.230 nan 0.000 0.453 26 R N 2.955 123.091 120.500 -0.607 0.000 2.254 26 R HA 0.122 4.497 4.340 0.059 0.000 0.318 26 R C -0.336 175.790 176.300 -0.291 0.000 1.031 26 R CA -0.017 55.895 56.100 -0.312 0.000 0.905 26 R CB 0.459 30.669 30.300 -0.150 0.000 1.050 26 R HN 0.701 nan 8.270 nan 0.000 0.456 27 W N 0.773 122.341 121.300 0.447 0.000 2.991 27 W HA 0.092 4.787 4.660 0.058 0.000 0.391 27 W C 0.166 176.782 176.519 0.162 0.000 1.054 27 W CA -0.374 57.094 57.345 0.205 0.000 1.856 27 W CB 0.764 30.294 29.460 0.116 0.000 1.132 27 W HN 0.536 nan 8.180 nan 0.000 0.601 28 D N -0.145 120.479 120.400 0.373 0.000 2.571 28 D HA 0.108 4.784 4.640 0.059 0.000 0.239 28 D C 0.061 176.448 176.300 0.145 0.000 1.267 28 D CA -0.085 54.066 54.000 0.251 0.000 0.823 28 D CB -0.697 40.270 40.800 0.279 0.000 1.056 28 D HN 0.023 nan 8.370 nan 0.000 0.494 29 L N 1.547 122.844 121.223 0.123 0.000 2.453 29 L HA 0.189 4.564 4.340 0.059 0.000 0.272 29 L C 1.151 178.051 176.870 0.050 0.000 1.182 29 L CA -0.292 54.585 54.840 0.062 0.000 0.858 29 L CB 0.700 42.783 42.059 0.041 0.000 1.120 29 L HN 0.141 nan 8.230 nan 0.000 0.474 30 S N 2.382 118.100 115.700 0.030 0.000 2.645 30 S HA 0.309 4.814 4.470 0.059 0.000 0.266 30 S C -1.903 172.702 174.600 0.009 0.000 1.258 30 S CA -1.239 56.973 58.200 0.019 0.000 0.990 30 S CB 1.259 64.467 63.200 0.013 0.000 0.967 30 S HN 0.392 nan 8.310 nan 0.000 0.556 31 P HA -0.091 nan 4.420 nan 0.000 0.216 31 P C 1.357 178.653 177.300 -0.007 0.000 1.150 31 P CA 1.205 64.302 63.100 -0.006 0.000 0.837 31 P CB 0.070 31.765 31.700 -0.008 0.000 0.786 32 E N -0.287 119.910 120.200 -0.005 0.000 2.152 32 E HA -0.169 4.217 4.350 0.059 0.000 0.192 32 E C 2.015 178.610 176.600 -0.008 0.000 0.983 32 E CA 1.345 57.741 56.400 -0.007 0.000 0.818 32 E CB -0.642 29.055 29.700 -0.006 0.000 0.758 32 E HN 0.267 nan 8.360 nan 0.000 0.467 33 Q N -0.386 119.410 119.800 -0.006 0.000 2.172 33 Q HA -0.035 4.341 4.340 0.059 0.000 0.200 33 Q C 2.199 178.192 176.000 -0.012 0.000 0.964 33 Q CA 1.136 56.933 55.803 -0.009 0.000 0.855 33 Q CB 0.007 28.742 28.738 -0.005 0.000 0.918 33 Q HN 0.373 nan 8.270 nan 0.000 0.444 34 I N 0.716 121.281 120.570 -0.008 0.000 2.252 34 I HA -0.255 3.951 4.170 0.059 0.000 0.245 34 I C 2.489 178.596 176.117 -0.017 0.000 1.102 34 I CA 1.012 62.306 61.300 -0.011 0.000 1.385 34 I CB -0.177 37.819 38.000 -0.008 0.000 1.064 34 I HN 0.148 nan 8.210 nan 0.000 0.414 35 K N 0.602 120.992 120.400 -0.016 0.000 2.026 35 K HA -0.164 4.191 4.320 0.059 0.000 0.208 35 K C 2.092 178.679 176.600 -0.021 0.000 1.048 35 K CA 1.924 58.201 56.287 -0.017 0.000 0.929 35 K CB -0.063 32.428 32.500 -0.015 0.000 0.713 35 K HN 0.195 nan 8.250 nan 0.000 0.439 36 T N 0.867 115.410 114.554 -0.019 0.000 2.652 36 T HA -0.131 4.254 4.350 0.059 0.000 0.267 36 T C 1.866 176.550 174.700 -0.027 0.000 1.039 36 T CA 1.496 63.583 62.100 -0.021 0.000 1.153 36 T CB -0.201 68.656 68.868 -0.018 0.000 0.863 36 T HN 0.314 nan 8.240 nan 0.000 0.428 37 R N 0.465 120.948 120.500 -0.028 0.000 2.105 37 R HA -0.072 4.303 4.340 0.059 0.000 0.239 37 R C 2.760 179.036 176.300 -0.039 0.000 1.135 37 R CA 1.618 57.698 56.100 -0.033 0.000 0.967 37 R CB -0.640 29.639 30.300 -0.035 0.000 0.861 37 R HN 0.336 nan 8.270 nan 0.000 0.442 38 T N 0.923 115.454 114.554 -0.038 0.000 2.674 38 T HA -0.146 4.240 4.350 0.059 0.000 0.265 38 T C 1.513 176.176 174.700 -0.063 0.000 1.039 38 T CA 1.491 63.564 62.100 -0.044 0.000 1.150 38 T CB -0.136 68.714 68.868 -0.031 0.000 0.864 38 T HN 0.407 nan 8.240 nan 0.000 0.427 39 E N 0.889 121.057 120.200 -0.053 0.000 2.077 39 E HA -0.156 4.229 4.350 0.059 0.000 0.193 39 E C 2.546 179.103 176.600 -0.072 0.000 0.989 39 E CA 0.787 57.150 56.400 -0.062 0.000 0.800 39 E CB -0.111 29.564 29.700 -0.041 0.000 0.746 39 E HN 0.363 nan 8.360 nan 0.000 0.452 40 Q N 0.406 120.173 119.800 -0.054 0.000 2.172 40 Q HA -0.089 4.286 4.340 0.059 0.000 0.200 40 Q C 2.294 178.263 176.000 -0.052 0.000 0.964 40 Q CA 0.640 56.416 55.803 -0.046 0.000 0.855 40 Q CB -0.232 28.488 28.738 -0.030 0.000 0.918 40 Q HN 0.235 nan 8.270 nan 0.000 0.444 41 L N 0.472 121.660 121.223 -0.057 0.000 2.027 41 L HA -0.098 4.277 4.340 0.059 0.000 0.206 41 L C 2.083 178.882 176.870 -0.119 0.000 1.074 41 L CA 1.393 56.215 54.840 -0.030 0.000 0.745 41 L CB -0.571 41.483 42.059 -0.009 0.000 0.898 41 L HN 0.097 nan 8.230 nan 0.000 0.433 42 I N -0.417 119.979 120.570 -0.290 0.000 2.127 42 I HA -0.340 3.865 4.170 0.059 0.000 0.241 42 I C 2.608 178.429 176.117 -0.492 0.000 1.075 42 I CA 1.382 62.237 61.300 -0.741 0.000 1.334 42 I CB -0.727 36.881 38.000 -0.654 0.000 1.040 42 I HN 0.372 nan 8.210 nan 0.000 0.405 43 A N 0.141 122.828 122.820 -0.223 0.000 1.865 43 A HA -0.283 4.073 4.320 0.059 0.000 0.217 43 A C 2.258 179.823 177.584 -0.031 0.000 1.191 43 A CA 1.798 53.779 52.037 -0.093 0.000 0.623 43 A CB -0.802 18.165 19.000 -0.055 0.000 0.826 43 A HN 0.479 nan 8.150 nan 0.000 0.444 44 Q N -1.060 118.726 119.800 -0.023 0.000 2.135 44 Q HA -0.133 4.242 4.340 0.059 0.000 0.204 44 Q C 2.171 178.216 176.000 0.075 0.000 0.981 44 Q CA 1.965 57.783 55.803 0.025 0.000 0.856 44 Q CB -0.350 28.402 28.738 0.023 0.000 0.902 44 Q HN 0.700 nan 8.270 nan 0.000 0.425 45 T N 0.818 115.426 114.554 0.090 0.000 2.857 45 T HA -0.132 4.254 4.350 0.059 0.000 0.266 45 T C 1.652 176.585 174.700 0.387 0.000 1.048 45 T CA 1.201 63.444 62.100 0.238 0.000 1.139 45 T CB -0.084 68.954 68.868 0.284 0.000 0.874 45 T HN 0.265 nan 8.240 nan 0.000 0.455 46 K N 1.155 121.742 120.400 0.312 0.000 2.057 46 K HA -0.156 4.200 4.320 0.059 0.000 0.207 46 K C 2.322 179.071 176.600 0.249 0.000 1.049 46 K CA 1.308 57.807 56.287 0.353 0.000 0.931 46 K CB -0.115 32.542 32.500 0.262 0.000 0.714 46 K HN 0.347 nan 8.250 nan 0.000 0.440 47 Q N 0.170 120.064 119.800 0.156 0.000 2.135 47 Q HA -0.157 4.218 4.340 0.059 0.000 0.204 47 Q C 2.111 178.172 176.000 0.101 0.000 0.981 47 Q CA 1.741 57.607 55.803 0.105 0.000 0.856 47 Q CB -0.006 28.771 28.738 0.065 0.000 0.902 47 Q HN 0.204 nan 8.270 nan 0.000 0.425 48 V N -0.308 119.675 119.914 0.114 0.000 2.358 48 V HA -0.252 3.904 4.120 0.059 0.000 0.246 48 V C 1.650 177.734 176.094 -0.016 0.000 1.047 48 V CA 1.707 64.020 62.300 0.023 0.000 1.035 48 V CB -0.632 31.172 31.823 -0.031 0.000 0.658 48 V HN 0.345 nan 8.190 nan 0.000 0.452 49 Y N 0.474 120.794 120.300 0.033 0.000 2.293 49 Y HA -0.158 4.426 4.550 0.057 0.000 0.291 49 Y C 2.459 178.367 175.900 0.014 0.000 1.137 49 Y CA 1.413 59.520 58.100 0.012 0.000 1.202 49 Y CB -0.413 38.042 38.460 -0.009 0.000 0.990 49 Y HN 0.297 nan 8.280 nan 0.000 0.537 50 D N -0.925 119.577 120.400 0.170 0.000 2.144 50 D HA -0.136 4.540 4.640 0.059 0.000 0.199 50 D C 2.071 178.405 176.300 0.057 0.000 0.984 50 D CA 1.728 55.788 54.000 0.100 0.000 0.834 50 D CB -0.440 40.411 40.800 0.085 0.000 0.955 50 D HN 0.263 nan 8.370 nan 0.000 0.465 51 T N 0.271 114.849 114.554 0.040 0.000 2.821 51 T HA -0.056 4.329 4.350 0.059 0.000 0.267 51 T C 2.173 176.872 174.700 -0.003 0.000 1.046 51 T CA 0.561 62.669 62.100 0.013 0.000 1.139 51 T CB -0.045 68.824 68.868 0.001 0.000 0.871 51 T HN -0.019 nan 8.240 nan 0.000 0.454 52 V N 1.149 121.053 119.914 -0.018 0.000 2.591 52 V HA 0.039 4.194 4.120 0.059 0.000 0.249 52 V C 2.768 178.862 176.094 -0.001 0.000 1.053 52 V CA 1.638 63.919 62.300 -0.031 0.000 1.068 52 V CB -1.062 30.712 31.823 -0.082 0.000 0.689 52 V HN 0.552 nan 8.190 nan 0.000 0.462 53 G N 0.250 109.068 108.800 0.029 0.000 2.679 53 G HA2 -0.136 3.860 3.960 0.059 0.000 0.212 53 G HA3 -0.136 3.860 3.960 0.059 0.000 0.212 53 G C 1.347 176.259 174.900 0.019 0.000 1.137 53 G CA 1.329 46.452 45.100 0.038 0.000 0.787 53 G HN 0.602 nan 8.290 nan 0.000 0.534 54 T N -1.788 112.773 114.554 0.011 0.000 3.084 54 T HA 0.417 4.803 4.350 0.059 0.000 0.270 54 T C 0.763 175.459 174.700 -0.006 0.000 1.008 54 T CA -0.529 61.573 62.100 0.004 0.000 0.900 54 T CB 0.050 68.924 68.868 0.010 0.000 1.084 54 T HN 0.090 nan 8.240 nan 0.000 0.538 55 I N 2.599 123.163 120.570 -0.011 0.000 2.648 55 I HA 0.360 4.565 4.170 0.059 0.000 0.284 55 I C 1.037 177.139 176.117 -0.025 0.000 1.153 55 I CA -0.710 60.581 61.300 -0.014 0.000 1.426 55 I CB 0.550 38.541 38.000 -0.015 0.000 1.381 55 I HN 0.267 nan 8.210 nan 0.000 0.571 56 A N 6.888 129.695 122.820 -0.021 0.000 2.492 56 A HA 0.202 4.557 4.320 0.059 0.000 0.254 56 A C 1.236 178.794 177.584 -0.042 0.000 1.091 56 A CA -0.307 51.712 52.037 -0.030 0.000 0.768 56 A CB 0.120 19.111 19.000 -0.015 0.000 1.028 56 A HN 0.872 nan 8.150 nan 0.000 0.498 57 L N 1.856 123.025 121.223 -0.090 0.000 2.089 57 L HA -0.278 4.097 4.340 0.059 0.000 0.213 57 L C 2.258 179.119 176.870 -0.015 0.000 1.079 57 L CA 2.063 56.818 54.840 -0.141 0.000 0.758 57 L CB -0.452 41.375 42.059 -0.386 0.000 0.891 57 L HN 0.787 nan 8.230 nan 0.000 0.433 58 K N -0.182 120.223 120.400 0.009 0.000 2.366 58 K HA -0.081 4.274 4.320 0.059 0.000 0.198 58 K C 1.499 178.119 176.600 0.033 0.000 1.044 58 K CA 0.746 57.060 56.287 0.045 0.000 0.973 58 K CB 0.051 32.572 32.500 0.035 0.000 0.767 58 K HN 0.408 nan 8.250 nan 0.000 0.475 59 E N 0.792 121.002 120.200 0.017 0.000 2.474 59 E HA 0.023 4.409 4.350 0.059 0.000 0.195 59 E C -0.174 176.438 176.600 0.020 0.000 1.039 59 E CA -0.194 56.216 56.400 0.017 0.000 0.881 59 E CB 0.765 30.471 29.700 0.009 0.000 0.970 59 E HN -0.058 nan 8.360 nan 0.000 0.486 60 V N 2.328 122.255 119.914 0.022 0.000 2.599 60 V HA 0.044 4.200 4.120 0.059 0.000 0.300 60 V C 0.195 176.313 176.094 0.041 0.000 1.034 60 V CA 0.721 63.035 62.300 0.023 0.000 1.115 60 V CB 0.799 32.635 31.823 0.022 0.000 0.934 60 V HN 0.311 nan 8.190 nan 0.000 0.485 61 T N 3.377 117.957 114.554 0.044 0.000 2.838 61 T HA 0.311 4.697 4.350 0.059 0.000 0.292 61 T C 0.442 175.203 174.700 0.102 0.000 1.113 61 T CA -0.108 62.039 62.100 0.078 0.000 1.008 61 T CB 1.004 69.918 68.868 0.077 0.000 1.259 61 T HN 0.504 nan 8.240 nan 0.000 0.520 62 Y N 1.018 121.325 120.300 0.012 0.000 2.224 62 Y HA -0.012 4.574 4.550 0.060 0.000 0.289 62 Y C 2.158 178.063 175.900 0.007 0.000 1.146 62 Y CA 2.003 60.112 58.100 0.015 0.000 1.182 62 Y CB -0.206 38.267 38.460 0.021 0.000 0.983 62 Y HN 0.804 nan 8.280 nan 0.000 0.524 63 E N -0.183 120.160 120.200 0.239 0.000 2.122 63 E HA -0.127 4.259 4.350 0.059 0.000 0.190 63 E C 1.718 178.338 176.600 0.033 0.000 0.977 63 E CA 1.048 57.533 56.400 0.143 0.000 0.820 63 E CB -0.276 29.502 29.700 0.129 0.000 0.770 63 E HN 0.558 nan 8.360 nan 0.000 0.462 64 N N -0.289 118.425 118.700 0.024 0.000 2.398 64 N HA -0.014 4.762 4.740 0.059 0.000 0.188 64 N C 0.980 176.470 175.510 -0.034 0.000 1.122 64 N CA 0.287 53.334 53.050 -0.005 0.000 0.866 64 N CB 0.087 38.577 38.487 0.006 0.000 0.970 64 N HN 0.207 nan 8.380 nan 0.000 0.462 65 C N -0.810 118.458 119.300 -0.053 0.000 3.196 65 C HA 0.367 4.863 4.460 0.059 0.000 0.177 65 C C 2.321 177.234 174.990 -0.128 0.000 2.554 65 C CA -0.228 58.745 59.018 -0.075 0.000 1.132 65 C CB -0.882 26.830 27.740 -0.047 0.000 1.234 65 C HN 0.339 nan 8.230 nan 0.000 0.728 66 L N 1.417 122.521 121.223 -0.198 0.000 1.971 66 L HA -0.222 4.153 4.340 0.059 0.000 0.215 66 L C 2.562 179.209 176.870 -0.371 0.000 1.072 66 L CA 2.698 57.348 54.840 -0.317 0.000 0.758 66 L CB -0.654 41.054 42.059 -0.584 0.000 0.889 66 L HN 0.609 nan 8.230 nan 0.000 0.433 67 Q N -0.665 118.916 119.800 -0.367 0.000 2.170 67 Q HA -0.167 4.209 4.340 0.059 0.000 0.203 67 Q C 1.857 177.783 176.000 -0.123 0.000 0.976 67 Q CA 2.104 57.790 55.803 -0.196 0.000 0.858 67 Q CB -0.268 28.435 28.738 -0.059 0.000 0.907 67 Q HN 0.520 nan 8.270 nan 0.000 0.433 68 V N -0.268 119.574 119.914 -0.120 0.000 2.323 68 V HA -0.200 3.955 4.120 0.059 0.000 0.244 68 V C 1.935 177.944 176.094 -0.142 0.000 1.041 68 V CA 1.159 63.395 62.300 -0.107 0.000 1.025 68 V CB -0.484 31.277 31.823 -0.103 0.000 0.656 68 V HN 0.298 nan 8.190 nan 0.000 0.451 69 L N 0.445 121.572 121.223 -0.160 0.000 2.093 69 L HA -0.044 4.332 4.340 0.059 0.000 0.208 69 L C 2.579 179.412 176.870 -0.063 0.000 1.085 69 L CA 2.150 56.896 54.840 -0.158 0.000 0.755 69 L CB -1.600 40.431 42.059 -0.048 0.000 0.904 69 L HN 0.309 nan 8.230 nan 0.000 0.435 70 A N -0.742 122.006 122.820 -0.121 0.000 1.873 70 A HA -0.173 4.182 4.320 0.059 0.000 0.215 70 A C 2.032 179.618 177.584 0.003 0.000 1.186 70 A CA 1.612 53.602 52.037 -0.078 0.000 0.616 70 A CB -0.536 18.402 19.000 -0.104 0.000 0.823 70 A HN 0.363 nan 8.150 nan 0.000 0.442 71 D N -0.274 120.111 120.400 -0.026 0.000 2.097 71 D HA -0.141 4.535 4.640 0.059 0.000 0.195 71 D C 1.725 178.039 176.300 0.023 0.000 0.989 71 D CA 1.284 55.281 54.000 -0.005 0.000 0.827 71 D CB -0.403 40.386 40.800 -0.017 0.000 0.966 71 D HN 0.362 nan 8.370 nan 0.000 0.456 72 I N 1.468 122.041 120.570 0.004 0.000 2.361 72 I HA -0.198 4.008 4.170 0.059 0.000 0.251 72 I C 1.902 178.106 176.117 0.146 0.000 1.133 72 I CA 1.277 62.608 61.300 0.051 0.000 1.413 72 I CB -0.213 37.766 38.000 -0.035 0.000 1.073 72 I HN -0.029 nan 8.210 nan 0.000 0.424 73 E N -0.582 119.696 120.200 0.129 0.000 2.110 73 E HA -0.188 4.198 4.350 0.059 0.000 0.193 73 E C 2.261 178.977 176.600 0.194 0.000 0.988 73 E CA 1.547 58.066 56.400 0.198 0.000 0.804 73 E CB -0.092 29.708 29.700 0.167 0.000 0.745 73 E HN 0.381 nan 8.360 nan 0.000 0.458 74 V N 1.223 121.213 119.914 0.126 0.000 2.229 74 V HA -0.293 3.862 4.120 0.059 0.000 0.243 74 V C 2.786 178.936 176.094 0.095 0.000 1.042 74 V CA 2.301 64.655 62.300 0.090 0.000 1.000 74 V CB -1.167 30.685 31.823 0.049 0.000 0.637 74 V HN 0.515 nan 8.190 nan 0.000 0.446 75 T N -1.429 113.182 114.554 0.095 0.000 2.699 75 T HA -0.351 4.034 4.350 0.059 0.000 0.268 75 T C 1.858 176.630 174.700 0.120 0.000 1.036 75 T CA 2.356 64.508 62.100 0.086 0.000 1.147 75 T CB -0.733 68.184 68.868 0.082 0.000 0.862 75 T HN 0.506 nan 8.240 nan 0.000 0.446 76 Y N 1.538 121.882 120.300 0.073 0.000 2.114 76 Y HA 0.027 4.614 4.550 0.061 0.000 0.284 76 Y C 2.269 178.218 175.900 0.081 0.000 1.143 76 Y CA 1.013 59.172 58.100 0.097 0.000 1.135 76 Y CB -0.701 37.859 38.460 0.166 0.000 0.980 76 Y HN 0.203 nan 8.280 nan 0.000 0.499 77 I N -0.448 120.151 120.570 0.047 0.000 2.264 77 I HA -0.249 3.956 4.170 0.059 0.000 0.248 77 I C 2.133 178.195 176.117 -0.092 0.000 1.111 77 I CA 1.300 62.569 61.300 -0.052 0.000 1.382 77 I CB -0.602 37.440 38.000 0.070 0.000 1.060 77 I HN 0.180 nan 8.210 nan 0.000 0.418 78 V N 0.195 120.080 119.914 -0.048 0.000 2.379 78 V HA -0.210 3.945 4.120 0.059 0.000 0.245 78 V C 2.458 178.501 176.094 -0.085 0.000 1.044 78 V CA 1.845 64.117 62.300 -0.047 0.000 1.036 78 V CB -0.685 31.124 31.823 -0.022 0.000 0.664 78 V HN 0.461 nan 8.190 nan 0.000 0.453 79 E N 0.862 120.996 120.200 -0.110 0.000 2.106 79 E HA -0.213 4.173 4.350 0.059 0.000 0.192 79 E C 2.342 178.850 176.600 -0.153 0.000 0.984 79 E CA 1.327 57.656 56.400 -0.119 0.000 0.806 79 E CB -0.374 29.269 29.700 -0.095 0.000 0.750 79 E HN 0.402 nan 8.360 nan 0.000 0.458 80 R N -0.166 120.177 120.500 -0.261 0.000 2.120 80 R HA -0.122 4.254 4.340 0.059 0.000 0.234 80 R C 2.075 178.323 176.300 -0.086 0.000 1.123 80 R CA 1.874 57.821 56.100 -0.254 0.000 0.975 80 R CB -0.487 29.534 30.300 -0.466 0.000 0.866 80 R HN 0.447 nan 8.270 nan 0.000 0.446 81 T N -2.140 112.388 114.554 -0.043 0.000 2.985 81 T HA -0.049 4.336 4.350 0.059 0.000 0.266 81 T C 1.899 176.696 174.700 0.161 0.000 1.076 81 T CA 0.748 62.889 62.100 0.068 0.000 1.135 81 T CB -0.063 68.842 68.868 0.062 0.000 0.890 81 T HN 0.160 nan 8.240 nan 0.000 0.480 82 M N 0.330 119.953 119.600 0.039 0.000 2.460 82 M HA 0.209 4.724 4.480 0.059 0.000 0.263 82 M C 1.743 178.098 176.300 0.092 0.000 1.071 82 M CA 1.120 56.428 55.300 0.014 0.000 1.096 82 M CB -0.256 32.252 32.600 -0.154 0.000 1.408 82 M HN 0.312 nan 8.290 nan 0.000 0.463 83 L N -0.754 120.499 121.223 0.050 0.000 2.316 83 L HA -0.030 4.345 4.340 0.059 0.000 0.207 83 L C 1.612 178.503 176.870 0.034 0.000 1.070 83 L CA 0.436 55.292 54.840 0.027 0.000 0.820 83 L CB -0.426 41.624 42.059 -0.016 0.000 0.992 83 L HN 0.281 nan 8.230 nan 0.000 0.466 84 D N -1.211 119.227 120.400 0.064 0.000 2.360 84 D HA -0.131 4.545 4.640 0.059 0.000 0.210 84 D C 1.801 178.154 176.300 0.087 0.000 1.047 84 D CA 0.027 54.060 54.000 0.056 0.000 0.854 84 D CB -0.091 40.758 40.800 0.081 0.000 0.936 84 D HN 0.165 nan 8.370 nan 0.000 0.514 85 F N 1.546 121.468 119.950 -0.048 0.000 2.270 85 F HA 0.258 4.820 4.527 0.059 0.000 0.295 85 F C -1.059 174.541 175.800 -0.334 0.000 1.087 85 F CA -0.442 57.448 58.000 -0.183 0.000 1.365 85 F CB -0.812 38.040 39.000 -0.245 0.000 1.056 85 F HN -0.116 nan 8.300 nan 0.000 0.506 86 P HA -0.243 nan 4.420 nan 0.000 0.218 86 P C 1.162 178.189 177.300 -0.454 0.000 1.146 86 P CA 1.998 64.860 63.100 -0.397 0.000 0.813 86 P CB -0.441 31.193 31.700 -0.110 0.000 0.778 87 Q N -1.330 118.209 119.800 -0.436 0.000 2.364 87 Q HA -0.202 4.173 4.340 0.059 0.000 0.209 87 Q C 1.001 176.672 176.000 -0.547 0.000 0.977 87 Q CA 1.601 57.132 55.803 -0.453 0.000 0.885 87 Q CB -0.918 27.533 28.738 -0.478 0.000 0.941 87 Q HN 0.433 nan 8.270 nan 0.000 0.464 88 H N -0.518 118.237 119.070 -0.524 0.000 2.639 88 H HA 0.128 4.719 4.556 0.059 0.000 0.267 88 H C 1.492 176.427 175.328 -0.655 0.000 0.958 88 H CA 0.677 56.397 56.048 -0.547 0.000 1.221 88 H CB 1.313 30.599 29.762 -0.794 0.000 1.446 88 H HN 0.281 nan 8.280 nan 0.000 0.512 89 V N -3.755 115.688 119.914 -0.784 0.000 3.426 89 V HA 0.206 4.362 4.120 0.059 0.000 0.279 89 V C 0.681 176.529 176.094 -0.409 0.000 1.544 89 V CA -0.253 61.623 62.300 -0.707 0.000 1.017 89 V CB 0.677 31.664 31.823 -1.392 0.000 0.821 89 V HN 0.119 nan 8.190 nan 0.000 0.432 90 S N 0.908 116.382 115.700 -0.377 0.000 2.560 90 S HA 0.231 4.736 4.470 0.059 0.000 0.284 90 S C 1.255 175.800 174.600 -0.091 0.000 1.327 90 S CA 0.806 58.907 58.200 -0.165 0.000 1.055 90 S CB 1.280 64.396 63.200 -0.141 0.000 0.868 90 S HN 0.579 nan 8.310 nan 0.000 0.506 91 S N 1.923 117.607 115.700 -0.026 0.000 2.528 91 S HA 0.077 4.583 4.470 0.059 0.000 0.219 91 S C 0.270 174.857 174.600 -0.022 0.000 0.985 91 S CA -0.116 58.073 58.200 -0.018 0.000 0.914 91 S CB -0.183 63.021 63.200 0.007 0.000 0.776 91 S HN 0.832 nan 8.310 nan 0.000 0.526 92 D N 1.630 122.017 120.400 -0.022 0.000 2.316 92 D HA 0.129 4.805 4.640 0.059 0.000 0.245 92 D C 1.131 177.410 176.300 -0.034 0.000 1.171 92 D CA -0.269 53.720 54.000 -0.019 0.000 0.856 92 D CB 0.935 41.732 40.800 -0.005 0.000 1.090 92 D HN 0.202 nan 8.370 nan 0.000 0.476 93 R N 3.386 123.867 120.500 -0.032 0.000 2.105 93 R HA -0.160 4.216 4.340 0.059 0.000 0.239 93 R C 0.965 177.243 176.300 -0.037 0.000 1.135 93 R CA 1.309 57.387 56.100 -0.038 0.000 0.967 93 R CB 0.250 30.532 30.300 -0.029 0.000 0.861 93 R HN 0.388 nan 8.270 nan 0.000 0.442 94 E N 0.224 120.408 120.200 -0.028 0.000 2.072 94 E HA -0.106 4.279 4.350 0.059 0.000 0.190 94 E C 2.159 178.742 176.600 -0.030 0.000 0.982 94 E CA 1.054 57.440 56.400 -0.025 0.000 0.803 94 E CB -0.466 29.225 29.700 -0.015 0.000 0.755 94 E HN 0.197 nan 8.360 nan 0.000 0.453 95 V N 1.375 121.272 119.914 -0.028 0.000 2.332 95 V HA -0.267 3.888 4.120 0.059 0.000 0.248 95 V C 2.548 178.606 176.094 -0.060 0.000 1.055 95 V CA 1.943 64.225 62.300 -0.031 0.000 1.038 95 V CB -0.449 31.363 31.823 -0.019 0.000 0.651 95 V HN 0.144 nan 8.190 nan 0.000 0.450 96 R N -0.261 120.191 120.500 -0.080 0.000 2.083 96 R HA -0.153 4.222 4.340 0.059 0.000 0.237 96 R C 2.370 178.609 176.300 -0.101 0.000 1.137 96 R CA 1.680 57.710 56.100 -0.117 0.000 0.951 96 R CB -0.589 29.639 30.300 -0.118 0.000 0.851 96 R HN 0.544 nan 8.270 nan 0.000 0.434 97 A N 0.336 123.114 122.820 -0.070 0.000 1.902 97 A HA -0.105 4.250 4.320 0.059 0.000 0.217 97 A C 2.280 179.835 177.584 -0.050 0.000 1.181 97 A CA 1.669 53.672 52.037 -0.056 0.000 0.623 97 A CB -0.736 18.240 19.000 -0.040 0.000 0.818 97 A HN 0.461 nan 8.150 nan 0.000 0.443 98 A N -0.890 121.903 122.820 -0.044 0.000 1.933 98 A HA -0.092 4.264 4.320 0.059 0.000 0.218 98 A C 2.470 180.030 177.584 -0.040 0.000 1.175 98 A CA 2.114 54.130 52.037 -0.034 0.000 0.628 98 A CB -0.891 18.094 19.000 -0.026 0.000 0.814 98 A HN 0.541 nan 8.150 nan 0.000 0.444 99 S N -0.952 114.713 115.700 -0.059 0.000 2.368 99 S HA -0.135 4.370 4.470 0.059 0.000 0.224 99 S C 2.078 176.632 174.600 -0.076 0.000 1.029 99 S CA 2.148 60.306 58.200 -0.070 0.000 0.988 99 S CB -0.579 62.552 63.200 -0.115 0.000 0.838 99 S HN 0.623 nan 8.310 nan 0.000 0.462 100 T N 1.353 115.852 114.554 -0.092 0.000 2.746 100 T HA -0.099 4.287 4.350 0.059 0.000 0.267 100 T C 1.784 176.463 174.700 -0.036 0.000 1.039 100 T CA 1.718 63.772 62.100 -0.076 0.000 1.142 100 T CB -0.487 68.336 68.868 -0.075 0.000 0.866 100 T HN 0.460 nan 8.240 nan 0.000 0.444 101 E N 1.503 121.685 120.200 -0.031 0.000 2.077 101 E HA -0.016 4.369 4.350 0.059 0.000 0.193 101 E C 2.257 178.853 176.600 -0.006 0.000 0.989 101 E CA 1.363 57.754 56.400 -0.015 0.000 0.800 101 E CB -0.656 29.035 29.700 -0.016 0.000 0.746 101 E HN 0.416 nan 8.360 nan 0.000 0.452 102 A N 0.834 123.647 122.820 -0.012 0.000 1.883 102 A HA -0.244 4.111 4.320 0.059 0.000 0.217 102 A C 2.178 179.771 177.584 0.014 0.000 1.186 102 A CA 2.078 54.113 52.037 -0.004 0.000 0.624 102 A CB -1.045 17.948 19.000 -0.012 0.000 0.822 102 A HN 0.376 nan 8.150 nan 0.000 0.444 103 D N -0.611 119.796 120.400 0.010 0.000 2.182 103 D HA -0.172 4.504 4.640 0.059 0.000 0.201 103 D C 1.902 178.231 176.300 0.049 0.000 0.986 103 D CA 1.546 55.566 54.000 0.033 0.000 0.847 103 D CB -0.147 40.666 40.800 0.021 0.000 0.942 103 D HN 0.588 nan 8.370 nan 0.000 0.467 104 K N 0.231 120.651 120.400 0.034 0.000 2.031 104 K HA -0.095 4.261 4.320 0.059 0.000 0.205 104 K C 2.050 178.682 176.600 0.054 0.000 1.049 104 K CA 0.873 57.183 56.287 0.039 0.000 0.939 104 K CB 0.148 32.661 32.500 0.023 0.000 0.717 104 K HN -0.023 nan 8.250 nan 0.000 0.438 105 K N 0.569 120.999 120.400 0.049 0.000 2.025 105 K HA -0.096 4.260 4.320 0.059 0.000 0.207 105 K C 2.175 178.847 176.600 0.120 0.000 1.049 105 K CA 1.319 57.644 56.287 0.063 0.000 0.933 105 K CB -0.145 32.375 32.500 0.032 0.000 0.714 105 K HN 0.136 nan 8.250 nan 0.000 0.438 106 L N 0.799 122.097 121.223 0.126 0.000 2.083 106 L HA -0.184 4.191 4.340 0.059 0.000 0.209 106 L C 2.371 179.394 176.870 0.255 0.000 1.083 106 L CA 1.031 56.007 54.840 0.226 0.000 0.752 106 L CB -0.288 41.873 42.059 0.170 0.000 0.899 106 L HN 0.093 nan 8.230 nan 0.000 0.433 107 S N -0.736 115.057 115.700 0.154 0.000 2.406 107 S HA -0.081 4.425 4.470 0.059 0.000 0.228 107 S C 2.046 176.699 174.600 0.087 0.000 1.020 107 S CA 0.850 59.119 58.200 0.115 0.000 0.965 107 S CB -0.116 63.132 63.200 0.080 0.000 0.798 107 S HN 0.349 nan 8.310 nan 0.000 0.488 108 R N -0.186 120.371 120.500 0.096 0.000 2.090 108 R HA 0.008 4.383 4.340 0.059 0.000 0.228 108 R C 2.030 178.378 176.300 0.081 0.000 1.110 108 R CA 1.106 57.246 56.100 0.067 0.000 0.973 108 R CB -0.374 29.966 30.300 0.066 0.000 0.869 108 R HN 0.432 nan 8.270 nan 0.000 0.440 109 F N 2.440 122.384 119.950 -0.011 0.000 2.146 109 F HA -0.163 4.402 4.527 0.064 0.000 0.298 109 F C 1.582 177.320 175.800 -0.103 0.000 1.096 109 F CA 1.458 59.429 58.000 -0.049 0.000 1.275 109 F CB -0.170 38.822 39.000 -0.013 0.000 1.008 109 F HN -0.094 nan 8.300 nan 0.000 0.480 110 D N 0.817 121.137 120.400 -0.134 0.000 2.123 110 D HA -0.214 4.462 4.640 0.059 0.000 0.196 110 D C 2.470 178.597 176.300 -0.288 0.000 0.992 110 D CA 1.910 55.757 54.000 -0.255 0.000 0.833 110 D CB -0.449 40.346 40.800 -0.009 0.000 0.954 110 D HN 0.375 nan 8.370 nan 0.000 0.455 111 I N 0.933 121.401 120.570 -0.171 0.000 2.179 111 I HA -0.229 3.977 4.170 0.059 0.000 0.242 111 I C 2.345 178.339 176.117 -0.205 0.000 1.088 111 I CA 1.051 62.265 61.300 -0.143 0.000 1.357 111 I CB -0.211 37.744 38.000 -0.076 0.000 1.051 111 I HN -0.016 nan 8.210 nan 0.000 0.409 112 E N 0.352 120.408 120.200 -0.241 0.000 2.049 112 E HA -0.259 4.127 4.350 0.059 0.000 0.198 112 E C 2.250 178.627 176.600 -0.372 0.000 1.007 112 E CA 1.466 57.713 56.400 -0.256 0.000 0.809 112 E CB -0.078 29.495 29.700 -0.212 0.000 0.749 112 E HN 0.323 nan 8.360 nan 0.000 0.450 113 M N 0.351 119.561 119.600 -0.651 0.000 2.213 113 M HA -0.110 4.406 4.480 0.059 0.000 0.263 113 M C 2.475 178.513 176.300 -0.437 0.000 1.062 113 M CA 1.386 56.233 55.300 -0.755 0.000 1.105 113 M CB -1.155 30.639 32.600 -1.343 0.000 1.385 113 M HN 0.068 nan 8.290 nan 0.000 0.417 114 S N -0.855 114.650 115.700 -0.326 0.000 2.515 114 S HA 0.002 4.507 4.470 0.059 0.000 0.231 114 S C 1.487 176.008 174.600 -0.131 0.000 0.987 114 S CA 0.539 58.632 58.200 -0.179 0.000 0.936 114 S CB -0.161 62.955 63.200 -0.140 0.000 0.766 114 S HN 0.360 nan 8.310 nan 0.000 0.528 115 M N 1.412 120.921 119.600 -0.150 0.000 2.475 115 M HA 0.322 4.837 4.480 0.059 0.000 0.261 115 M C -0.195 176.052 176.300 -0.087 0.000 1.177 115 M CA 0.102 55.334 55.300 -0.114 0.000 0.979 115 M CB -0.284 32.250 32.600 -0.109 0.000 1.482 115 M HN 0.112 nan 8.290 nan 0.000 0.484 116 R N 1.854 122.311 120.500 -0.073 0.000 2.351 116 R HA 0.043 4.419 4.340 0.059 0.000 0.321 116 R C 1.210 177.541 176.300 0.053 0.000 1.182 116 R CA 0.084 56.175 56.100 -0.015 0.000 1.011 116 R CB -0.062 30.240 30.300 0.003 0.000 1.048 116 R HN 0.385 nan 8.270 nan 0.000 0.490 117 E N 2.912 123.136 120.200 0.040 0.000 2.085 117 E HA -0.243 4.142 4.350 0.059 0.000 0.194 117 E C 1.020 177.713 176.600 0.155 0.000 0.994 117 E CA 2.085 58.543 56.400 0.096 0.000 0.801 117 E CB 0.094 29.824 29.700 0.050 0.000 0.743 117 E HN 0.562 nan 8.360 nan 0.000 0.453 118 D N 0.638 121.094 120.400 0.093 0.000 2.123 118 D HA -0.177 4.499 4.640 0.059 0.000 0.196 118 D C 2.079 178.432 176.300 0.087 0.000 0.992 118 D CA 1.545 55.590 54.000 0.076 0.000 0.833 118 D CB -0.619 40.210 40.800 0.049 0.000 0.954 118 D HN 0.304 nan 8.370 nan 0.000 0.455 119 V N 0.257 120.239 119.914 0.114 0.000 2.358 119 V HA -0.165 3.990 4.120 0.059 0.000 0.246 119 V C 2.330 178.502 176.094 0.129 0.000 1.047 119 V CA 1.369 63.738 62.300 0.115 0.000 1.035 119 V CB -0.858 31.066 31.823 0.169 0.000 0.658 119 V HN 0.067 nan 8.190 nan 0.000 0.452 120 F N 1.084 121.049 119.950 0.024 0.000 2.065 120 F HA -0.274 4.285 4.527 0.052 0.000 0.298 120 F C 2.526 178.348 175.800 0.037 0.000 1.112 120 F CA 2.160 60.175 58.000 0.024 0.000 1.212 120 F CB -0.461 38.557 39.000 0.030 0.000 0.975 120 F HN 0.148 nan 8.300 nan 0.000 0.476 121 Q N -0.271 119.565 119.800 0.060 0.000 2.062 121 Q HA -0.291 4.084 4.340 0.059 0.000 0.209 121 Q C 2.263 178.206 176.000 -0.095 0.000 0.996 121 Q CA 2.190 57.967 55.803 -0.044 0.000 0.859 121 Q CB -0.263 28.475 28.738 0.001 0.000 0.920 121 Q HN 0.277 nan 8.270 nan 0.000 0.415 122 R N 0.346 120.805 120.500 -0.068 0.000 2.091 122 R HA -0.094 4.282 4.340 0.059 0.000 0.238 122 R C 2.049 178.324 176.300 -0.042 0.000 1.136 122 R CA 1.306 57.374 56.100 -0.053 0.000 0.959 122 R CB -0.488 29.793 30.300 -0.033 0.000 0.856 122 R HN 0.332 nan 8.270 nan 0.000 0.437 123 I N -0.320 120.195 120.570 -0.091 0.000 2.439 123 I HA -0.209 3.996 4.170 0.059 0.000 0.251 123 I C 1.816 177.843 176.117 -0.151 0.000 1.139 123 I CA 0.810 62.047 61.300 -0.105 0.000 1.438 123 I CB -0.158 37.772 38.000 -0.116 0.000 1.085 123 I HN -0.049 nan 8.210 nan 0.000 0.427 124 V N 0.324 120.077 119.914 -0.267 0.000 2.343 124 V HA -0.309 3.847 4.120 0.059 0.000 0.247 124 V C 2.357 178.398 176.094 -0.089 0.000 1.051 124 V CA 2.002 64.148 62.300 -0.257 0.000 1.036 124 V CB -0.882 30.715 31.823 -0.378 0.000 0.654 124 V HN 0.394 nan 8.190 nan 0.000 0.451 125 H N -0.968 118.021 119.070 -0.135 0.000 2.423 125 H HA -0.066 4.523 4.556 0.054 0.000 0.297 125 H C 1.817 177.116 175.328 -0.049 0.000 1.075 125 H CA 1.443 57.448 56.048 -0.073 0.000 1.342 125 H CB -0.167 29.564 29.762 -0.052 0.000 1.395 125 H HN 0.290 nan 8.280 nan 0.000 0.530 126 L N 0.686 121.942 121.223 0.055 0.000 1.994 126 L HA -0.175 4.201 4.340 0.059 0.000 0.208 126 L C 2.282 179.161 176.870 0.015 0.000 1.071 126 L CA 1.821 56.682 54.840 0.035 0.000 0.745 126 L CB -0.851 41.220 42.059 0.019 0.000 0.892 126 L HN 0.284 nan 8.230 nan 0.000 0.431 127 Q N -0.994 118.797 119.800 -0.015 0.000 2.181 127 Q HA -0.221 4.154 4.340 0.059 0.000 0.205 127 Q C 1.904 177.887 176.000 -0.028 0.000 0.980 127 Q CA 1.671 57.463 55.803 -0.018 0.000 0.862 127 Q CB 0.052 28.763 28.738 -0.044 0.000 0.905 127 Q HN 0.603 nan 8.270 nan 0.000 0.429 128 E N -0.177 119.986 120.200 -0.061 0.000 2.004 128 E HA -0.130 4.255 4.350 0.059 0.000 0.193 128 E C 2.091 178.666 176.600 -0.042 0.000 0.985 128 E CA 1.824 58.178 56.400 -0.076 0.000 0.832 128 E CB -0.707 28.899 29.700 -0.156 0.000 0.787 128 E HN 0.539 nan 8.360 nan 0.000 0.466 129 T N -0.837 113.696 114.554 -0.036 0.000 2.969 129 T HA -0.147 4.239 4.350 0.059 0.000 0.271 129 T C 1.287 175.995 174.700 0.014 0.000 1.127 129 T CA 0.456 62.553 62.100 -0.005 0.000 1.102 129 T CB -0.806 68.073 68.868 0.018 0.000 0.855 129 T HN 0.083 nan 8.240 nan 0.000 0.536 130 C N 2.254 121.567 119.300 0.021 0.000 2.388 130 C HA 0.498 4.993 4.460 0.059 0.000 0.362 130 C C 0.256 175.263 174.990 0.029 0.000 1.266 130 C CA -1.046 57.997 59.018 0.042 0.000 2.028 130 C CB 0.179 27.963 27.740 0.073 0.000 2.440 130 C HN 0.584 nan 8.230 nan 0.000 0.547 131 D N 4.078 124.495 120.400 0.028 0.000 2.494 131 D HA 0.248 4.923 4.640 0.059 0.000 0.217 131 D C 0.990 177.306 176.300 0.027 0.000 1.153 131 D CA -0.338 53.673 54.000 0.018 0.000 0.954 131 D CB 0.297 41.102 40.800 0.008 0.000 1.034 131 D HN 0.475 nan 8.370 nan 0.000 0.518 132 L N 2.488 123.730 121.223 0.031 0.000 2.456 132 L HA -0.136 4.239 4.340 0.059 0.000 0.225 132 L C 2.041 178.932 176.870 0.035 0.000 1.142 132 L CA 1.224 56.089 54.840 0.043 0.000 0.796 132 L CB -0.427 41.653 42.059 0.034 0.000 0.920 132 L HN 0.457 nan 8.230 nan 0.000 0.446 133 E N -0.548 119.664 120.200 0.020 0.000 2.442 133 E HA -0.020 4.365 4.350 0.059 0.000 0.195 133 E C 1.611 178.215 176.600 0.006 0.000 1.030 133 E CA 0.312 56.719 56.400 0.013 0.000 0.869 133 E CB 0.169 29.872 29.700 0.006 0.000 0.857 133 E HN 0.377 nan 8.360 nan 0.000 0.505 134 K N 0.607 121.007 120.400 0.001 0.000 2.404 134 K HA 0.183 4.538 4.320 0.059 0.000 0.194 134 K C 1.198 177.776 176.600 -0.037 0.000 1.023 134 K CA -0.004 56.270 56.287 -0.021 0.000 1.094 134 K CB 0.494 32.974 32.500 -0.033 0.000 0.841 134 K HN 0.253 nan 8.250 nan 0.000 0.523 135 I N -2.399 118.171 120.570 0.001 0.000 2.846 135 I HA 0.372 4.577 4.170 0.059 0.000 0.307 135 I C -0.489 175.669 176.117 0.069 0.000 1.053 135 I CA -1.190 60.123 61.300 0.021 0.000 1.050 135 I CB 1.667 39.736 38.000 0.115 0.000 1.239 135 I HN -0.277 nan 8.210 nan 0.000 0.439 136 K N 3.626 124.082 120.400 0.094 0.000 2.469 136 K HA 0.112 4.467 4.320 0.059 0.000 0.274 136 K C -1.807 174.871 176.600 0.130 0.000 0.983 136 K CA -0.745 55.604 56.287 0.103 0.000 0.974 136 K CB 0.297 32.868 32.500 0.117 0.000 0.913 136 K HN 0.437 nan 8.250 nan 0.000 0.493 137 P HA -0.217 nan 4.420 nan 0.000 0.216 137 P C 0.876 178.241 177.300 0.108 0.000 1.150 137 P CA 1.253 64.397 63.100 0.074 0.000 0.843 137 P CB 0.207 31.929 31.700 0.036 0.000 0.787 138 E N -0.685 119.614 120.200 0.165 0.000 2.153 138 E HA -0.160 4.225 4.350 0.059 0.000 0.194 138 E C 1.861 178.735 176.600 0.456 0.000 0.988 138 E CA 0.994 57.556 56.400 0.270 0.000 0.811 138 E CB -0.343 29.568 29.700 0.351 0.000 0.746 138 E HN 0.095 nan 8.360 nan 0.000 0.466 139 A N 0.865 123.969 122.820 0.474 0.000 1.968 139 A HA -0.097 4.259 4.320 0.059 0.000 0.217 139 A C 2.013 179.730 177.584 0.221 0.000 1.169 139 A CA 0.759 53.029 52.037 0.388 0.000 0.638 139 A CB -0.206 19.104 19.000 0.517 0.000 0.812 139 A HN 0.124 nan 8.150 nan 0.000 0.446 140 R N -0.718 119.893 120.500 0.185 0.000 2.075 140 R HA -0.080 4.295 4.340 0.059 0.000 0.232 140 R C 2.478 178.832 176.300 0.091 0.000 1.126 140 R CA 1.447 57.617 56.100 0.116 0.000 0.963 140 R CB -0.320 30.027 30.300 0.079 0.000 0.858 140 R HN 0.537 nan 8.270 nan 0.000 0.435 141 R N 0.123 120.676 120.500 0.088 0.000 2.081 141 R HA -0.210 4.165 4.340 0.059 0.000 0.235 141 R C 2.120 178.532 176.300 0.187 0.000 1.131 141 R CA 1.622 57.746 56.100 0.041 0.000 0.960 141 R CB -0.399 29.814 30.300 -0.146 0.000 0.856 141 R HN 0.235 nan 8.270 nan 0.000 0.436 142 Y N 1.325 121.709 120.300 0.140 0.000 2.081 142 Y HA -0.292 4.296 4.550 0.064 0.000 0.280 142 Y C 2.002 177.852 175.900 -0.082 0.000 1.163 142 Y CA 2.093 60.178 58.100 -0.026 0.000 1.135 142 Y CB -0.444 37.615 38.460 -0.668 0.000 0.970 142 Y HN 0.047 nan 8.280 nan 0.000 0.498 143 L N -0.143 121.100 121.223 0.032 0.000 1.970 143 L HA -0.258 4.117 4.340 0.059 0.000 0.212 143 L C 2.555 179.378 176.870 -0.078 0.000 1.071 143 L CA 1.977 56.792 54.840 -0.042 0.000 0.751 143 L CB -0.720 41.354 42.059 0.025 0.000 0.889 143 L HN 0.253 nan 8.230 nan 0.000 0.432 144 E N 0.322 120.507 120.200 -0.026 0.000 2.070 144 E HA -0.241 4.144 4.350 0.059 0.000 0.197 144 E C 2.163 178.745 176.600 -0.030 0.000 1.004 144 E CA 1.522 57.908 56.400 -0.023 0.000 0.805 144 E CB 0.075 29.770 29.700 -0.008 0.000 0.744 144 E HN 0.115 nan 8.360 nan 0.000 0.451 145 K N 0.068 120.454 120.400 -0.022 0.000 2.057 145 K HA -0.010 4.345 4.320 0.059 0.000 0.206 145 K C 2.428 178.974 176.600 -0.090 0.000 1.050 145 K CA 1.228 57.505 56.287 -0.016 0.000 0.935 145 K CB -0.491 32.071 32.500 0.103 0.000 0.715 145 K HN 0.079 nan 8.250 nan 0.000 0.439 146 S N 1.479 117.050 115.700 -0.214 0.000 2.356 146 S HA -0.066 4.439 4.470 0.059 0.000 0.223 146 S C 2.126 176.706 174.600 -0.033 0.000 1.032 146 S CA 1.029 59.095 58.200 -0.224 0.000 1.005 146 S CB -0.233 62.721 63.200 -0.410 0.000 0.867 146 S HN 0.206 nan 8.310 nan 0.000 0.449 147 I N 1.423 121.983 120.570 -0.017 0.000 2.226 147 I HA -0.212 3.993 4.170 0.059 0.000 0.245 147 I C 2.489 178.716 176.117 0.184 0.000 1.100 147 I CA 1.225 62.591 61.300 0.110 0.000 1.374 147 I CB -0.274 37.709 38.000 -0.027 0.000 1.057 147 I HN 0.199 nan 8.210 nan 0.000 0.413 148 K N 1.084 121.520 120.400 0.061 0.000 2.057 148 K HA -0.170 4.185 4.320 0.059 0.000 0.207 148 K C 2.022 178.648 176.600 0.042 0.000 1.049 148 K CA 1.768 58.080 56.287 0.042 0.000 0.931 148 K CB -0.200 32.304 32.500 0.008 0.000 0.714 148 K HN 0.058 nan 8.250 nan 0.000 0.440 149 M N -0.045 119.569 119.600 0.023 0.000 2.229 149 M HA 0.026 4.541 4.480 0.059 0.000 0.264 149 M C 2.185 178.497 176.300 0.020 0.000 1.063 149 M CA 1.723 57.027 55.300 0.006 0.000 1.114 149 M CB -1.395 31.189 32.600 -0.026 0.000 1.387 149 M HN 0.412 nan 8.290 nan 0.000 0.420 150 G N 0.302 109.139 108.800 0.062 0.000 2.402 150 G HA2 -0.202 3.794 3.960 0.059 0.000 0.216 150 G HA3 -0.202 3.794 3.960 0.059 0.000 0.216 150 G C 1.788 176.563 174.900 -0.208 0.000 1.162 150 G CA 0.504 45.553 45.100 -0.084 0.000 0.777 150 G HN 0.414 nan 8.290 nan 0.000 0.539 151 K N 0.125 120.488 120.400 -0.062 0.000 2.097 151 K HA -0.016 4.340 4.320 0.059 0.000 0.206 151 K C 2.617 179.283 176.600 0.111 0.000 1.049 151 K CA 0.700 56.927 56.287 -0.101 0.000 0.933 151 K CB -0.137 32.219 32.500 -0.240 0.000 0.717 151 K HN 0.161 nan 8.250 nan 0.000 0.442 152 R N 0.629 121.211 120.500 0.136 0.000 2.237 152 R HA -0.016 4.360 4.340 0.059 0.000 0.219 152 R C 1.310 177.742 176.300 0.221 0.000 1.080 152 R CA 0.691 56.958 56.100 0.278 0.000 0.995 152 R CB -0.038 30.363 30.300 0.170 0.000 0.875 152 R HN 0.170 nan 8.270 nan 0.000 0.462 153 N N -0.654 118.094 118.700 0.079 0.000 2.280 153 N HA 0.036 4.812 4.740 0.059 0.000 0.192 153 N C 0.737 176.231 175.510 -0.028 0.000 1.109 153 N CA 0.890 53.946 53.050 0.009 0.000 0.855 153 N CB 1.342 39.800 38.487 -0.048 0.000 0.974 153 N HN 0.340 nan 8.380 nan 0.000 0.482 154 G N 0.907 109.725 108.800 0.030 0.000 2.136 154 G HA2 -0.241 3.755 3.960 0.059 0.000 0.242 154 G HA3 -0.241 3.755 3.960 0.059 0.000 0.242 154 G C 0.796 175.622 174.900 -0.123 0.000 0.989 154 G CA 0.135 45.231 45.100 -0.005 0.000 0.682 154 G HN 0.346 nan 8.290 nan 0.000 0.522 155 L N 0.970 122.049 121.223 -0.240 0.000 2.549 155 L HA 0.003 4.378 4.340 0.059 0.000 0.229 155 L C 2.485 179.139 176.870 -0.360 0.000 1.158 155 L CA 1.401 55.972 54.840 -0.448 0.000 0.842 155 L CB -0.535 40.998 42.059 -0.877 0.000 0.952 155 L HN 0.687 nan 8.230 nan 0.000 0.452 156 H N -1.229 117.648 119.070 -0.322 0.000 2.575 156 H HA 0.266 4.839 4.556 0.028 0.000 0.267 156 H C 0.771 176.103 175.328 0.006 0.000 0.966 156 H CA -0.452 55.581 56.048 -0.026 0.000 1.165 156 H CB -0.254 29.564 29.762 0.093 0.000 1.433 156 H HN 0.216 nan 8.280 nan 0.000 0.544 157 L N 2.216 123.138 121.223 -0.502 0.000 2.439 157 L HA 0.214 4.589 4.340 0.059 0.000 0.259 157 L C 0.874 177.656 176.870 -0.146 0.000 1.129 157 L CA -0.788 53.833 54.840 -0.364 0.000 0.803 157 L CB 1.039 42.878 42.059 -0.368 0.000 1.161 157 L HN 0.164 nan 8.230 nan 0.000 0.462 158 S N -0.670 114.981 115.700 -0.082 0.000 2.566 158 S HA -0.063 4.443 4.470 0.059 0.000 0.280 158 S C 0.896 175.488 174.600 -0.015 0.000 1.343 158 S CA -0.238 57.950 58.200 -0.019 0.000 1.036 158 S CB 0.822 64.033 63.200 0.019 0.000 0.866 158 S HN 0.794 nan 8.310 nan 0.000 0.526 159 E N 0.440 120.644 120.200 0.006 0.000 2.118 159 E HA -0.310 4.075 4.350 0.059 0.000 0.195 159 E C 1.817 178.417 176.600 0.002 0.000 0.992 159 E CA 1.689 58.088 56.400 -0.002 0.000 0.804 159 E CB -0.279 29.427 29.700 0.011 0.000 0.741 159 E HN 0.956 nan 8.360 nan 0.000 0.458 160 H N 0.379 119.426 119.070 -0.038 0.000 2.319 160 H HA -0.108 4.478 4.556 0.049 0.000 0.299 160 H C 1.974 177.276 175.328 -0.043 0.000 1.092 160 H CA 2.303 58.330 56.048 -0.035 0.000 1.302 160 H CB -0.202 29.542 29.762 -0.030 0.000 1.373 160 H HN 0.170 nan 8.280 nan 0.000 0.497 161 I N 0.238 120.755 120.570 -0.089 0.000 2.315 161 I HA -0.226 3.980 4.170 0.059 0.000 0.248 161 I C 2.492 178.511 176.117 -0.164 0.000 1.117 161 I CA 1.147 62.363 61.300 -0.139 0.000 1.404 161 I CB -0.282 37.694 38.000 -0.040 0.000 1.071 161 I HN 0.314 nan 8.210 nan 0.000 0.419 162 R N 0.749 121.169 120.500 -0.132 0.000 2.081 162 R HA -0.115 4.260 4.340 0.059 0.000 0.235 162 R C 1.996 178.219 176.300 -0.129 0.000 1.131 162 R CA 1.297 57.325 56.100 -0.122 0.000 0.960 162 R CB -0.651 29.587 30.300 -0.102 0.000 0.856 162 R HN 0.419 nan 8.270 nan 0.000 0.436 163 N N 1.166 119.779 118.700 -0.145 0.000 2.166 163 N HA -0.156 4.619 4.740 0.059 0.000 0.186 163 N C 1.618 177.031 175.510 -0.161 0.000 1.019 163 N CA 1.196 54.163 53.050 -0.138 0.000 0.856 163 N CB -0.151 38.256 38.487 -0.133 0.000 0.993 163 N HN 0.408 nan 8.380 nan 0.000 0.426 164 E N 0.623 120.684 120.200 -0.232 0.000 2.051 164 E HA -0.068 4.318 4.350 0.059 0.000 0.192 164 E C 2.042 178.561 176.600 -0.136 0.000 0.991 164 E CA 0.606 56.886 56.400 -0.201 0.000 0.799 164 E CB -0.106 29.447 29.700 -0.246 0.000 0.748 164 E HN 0.346 nan 8.360 nan 0.000 0.449 165 I N 1.256 121.747 120.570 -0.132 0.000 2.335 165 I HA -0.298 3.907 4.170 0.059 0.000 0.251 165 I C 2.610 178.667 176.117 -0.100 0.000 1.129 165 I CA 1.110 62.343 61.300 -0.112 0.000 1.402 165 I CB -0.234 37.699 38.000 -0.111 0.000 1.069 165 I HN 0.067 nan 8.210 nan 0.000 0.424 166 K N 1.242 121.584 120.400 -0.096 0.000 1.984 166 K HA -0.179 4.177 4.320 0.059 0.000 0.209 166 K C 2.329 178.886 176.600 -0.071 0.000 1.046 166 K CA 1.972 58.211 56.287 -0.079 0.000 0.934 166 K CB -0.107 32.348 32.500 -0.075 0.000 0.717 166 K HN 0.324 nan 8.250 nan 0.000 0.438 167 S N 0.572 116.228 115.700 -0.074 0.000 2.440 167 S HA -0.188 4.317 4.470 0.059 0.000 0.240 167 S C 1.926 176.490 174.600 -0.060 0.000 1.014 167 S CA 1.478 59.641 58.200 -0.062 0.000 0.980 167 S CB -0.337 62.825 63.200 -0.063 0.000 0.775 167 S HN 0.328 nan 8.310 nan 0.000 0.499 168 M N 0.712 120.270 119.600 -0.071 0.000 2.325 168 M HA 0.152 4.667 4.480 0.059 0.000 0.265 168 M C 2.380 178.636 176.300 -0.073 0.000 1.094 168 M CA 0.979 56.236 55.300 -0.072 0.000 1.161 168 M CB -0.192 32.359 32.600 -0.082 0.000 1.358 168 M HN 0.177 nan 8.290 nan 0.000 0.446 169 K N 0.567 120.921 120.400 -0.076 0.000 2.148 169 K HA -0.131 4.224 4.320 0.059 0.000 0.204 169 K C 2.018 178.586 176.600 -0.053 0.000 1.050 169 K CA 0.992 57.237 56.287 -0.070 0.000 0.942 169 K CB -0.064 32.395 32.500 -0.069 0.000 0.724 169 K HN 0.199 nan 8.250 nan 0.000 0.446 170 K N 1.226 121.597 120.400 -0.048 0.000 2.148 170 K HA -0.133 4.223 4.320 0.059 0.000 0.204 170 K C 2.093 178.673 176.600 -0.033 0.000 1.050 170 K CA 1.013 57.279 56.287 -0.036 0.000 0.942 170 K CB 0.108 32.587 32.500 -0.035 0.000 0.724 170 K HN -0.040 nan 8.250 nan 0.000 0.446 171 R N -0.063 120.413 120.500 -0.039 0.000 2.200 171 R HA 0.074 4.449 4.340 0.059 0.000 0.208 171 R C 1.919 178.196 176.300 -0.039 0.000 1.033 171 R CA 0.610 56.689 56.100 -0.035 0.000 1.000 171 R CB 0.087 30.365 30.300 -0.037 0.000 0.906 171 R HN 0.231 nan 8.270 nan 0.000 0.462 172 M N -0.525 119.043 119.600 -0.052 0.000 2.447 172 M HA -0.005 4.510 4.480 0.059 0.000 0.264 172 M C 1.832 178.101 176.300 -0.051 0.000 1.095 172 M CA 0.922 56.184 55.300 -0.064 0.000 1.125 172 M CB 0.410 32.956 32.600 -0.090 0.000 1.389 172 M HN 0.072 nan 8.290 nan 0.000 0.459 173 S N 0.433 116.112 115.700 -0.036 0.000 2.377 173 S HA -0.065 4.441 4.470 0.059 0.000 0.223 173 S C 1.623 176.218 174.600 -0.009 0.000 1.030 173 S CA 0.923 59.110 58.200 -0.022 0.000 0.970 173 S CB -0.081 63.110 63.200 -0.016 0.000 0.830 173 S HN 0.478 nan 8.310 nan 0.000 0.473 174 E N 1.162 121.356 120.200 -0.009 0.000 2.110 174 E HA -0.085 4.301 4.350 0.059 0.000 0.193 174 E C 1.930 178.537 176.600 0.011 0.000 0.988 174 E CA 0.823 57.224 56.400 0.001 0.000 0.804 174 E CB -0.273 29.425 29.700 -0.004 0.000 0.745 174 E HN 0.406 nan 8.360 nan 0.000 0.458 175 L N 0.325 121.550 121.223 0.003 0.000 2.056 175 L HA -0.188 4.187 4.340 0.059 0.000 0.207 175 L C 2.566 179.463 176.870 0.045 0.000 1.078 175 L CA 0.767 55.618 54.840 0.019 0.000 0.749 175 L CB -0.314 41.740 42.059 -0.008 0.000 0.901 175 L HN 0.291 nan 8.230 nan 0.000 0.433 176 C N -0.340 118.963 119.300 0.006 0.000 2.440 176 C HA -0.089 4.406 4.460 0.059 0.000 0.278 176 C C 2.672 177.705 174.990 0.071 0.000 1.295 176 C CA 0.046 59.066 59.018 0.003 0.000 1.738 176 C CB -0.530 27.179 27.740 -0.053 0.000 1.987 176 C HN 0.413 nan 8.230 nan 0.000 0.492 177 I N 1.052 121.653 120.570 0.051 0.000 2.394 177 I HA -0.104 4.101 4.170 0.059 0.000 0.251 177 I C 2.163 178.322 176.117 0.071 0.000 1.136 177 I CA 1.679 63.012 61.300 0.056 0.000 1.425 177 I CB -1.350 36.670 38.000 0.033 0.000 1.079 177 I HN 0.321 nan 8.210 nan 0.000 0.425 178 D N 0.393 120.840 120.400 0.077 0.000 2.137 178 D HA -0.187 4.488 4.640 0.059 0.000 0.202 178 D C 2.156 178.513 176.300 0.095 0.000 0.970 178 D CA 0.763 54.803 54.000 0.066 0.000 0.837 178 D CB -0.122 40.709 40.800 0.052 0.000 0.981 178 D HN 0.203 nan 8.370 nan 0.000 0.475 179 F N 1.226 121.165 119.950 -0.017 0.000 2.091 179 F HA -0.201 4.363 4.527 0.061 0.000 0.299 179 F C 1.947 177.740 175.800 -0.012 0.000 1.103 179 F CA 1.827 59.817 58.000 -0.017 0.000 1.228 179 F CB -0.285 38.701 39.000 -0.024 0.000 0.984 179 F HN -0.021 nan 8.300 nan 0.000 0.477 180 N N -0.185 118.684 118.700 0.282 0.000 2.106 180 N HA -0.195 4.581 4.740 0.059 0.000 0.188 180 N C 1.877 177.415 175.510 0.047 0.000 1.029 180 N CA 1.003 54.154 53.050 0.168 0.000 0.848 180 N CB -0.237 38.346 38.487 0.159 0.000 1.007 180 N HN 0.230 nan 8.380 nan 0.000 0.423 181 K N 1.240 121.663 120.400 0.038 0.000 2.044 181 K HA -0.170 4.185 4.320 0.059 0.000 0.210 181 K C 1.512 178.097 176.600 -0.025 0.000 1.049 181 K CA 1.308 57.600 56.287 0.009 0.000 0.927 181 K CB 0.053 32.559 32.500 0.011 0.000 0.713 181 K HN 0.163 nan 8.250 nan 0.000 0.443 182 N N 1.059 119.725 118.700 -0.056 0.000 2.018 182 N HA -0.206 4.569 4.740 0.059 0.000 0.196 182 N C 1.970 177.413 175.510 -0.111 0.000 1.043 182 N CA 1.483 54.475 53.050 -0.097 0.000 0.856 182 N CB -0.498 37.897 38.487 -0.154 0.000 1.042 182 N HN 0.203 nan 8.380 nan 0.000 0.423 183 L N 1.135 122.267 121.223 -0.152 0.000 2.079 183 L HA -0.163 4.212 4.340 0.059 0.000 0.210 183 L C 1.868 178.705 176.870 -0.056 0.000 1.081 183 L CA 0.965 55.727 54.840 -0.129 0.000 0.752 183 L CB -0.428 41.547 42.059 -0.140 0.000 0.896 183 L HN 0.175 nan 8.230 nan 0.000 0.433 184 N N 0.204 118.886 118.700 -0.030 0.000 2.106 184 N HA -0.153 4.622 4.740 0.059 0.000 0.188 184 N C 1.528 177.030 175.510 -0.014 0.000 1.029 184 N CA 1.191 54.236 53.050 -0.010 0.000 0.848 184 N CB -0.178 38.311 38.487 0.003 0.000 1.007 184 N HN 0.445 nan 8.380 nan 0.000 0.423 185 E N 0.610 120.797 120.200 -0.020 0.000 2.511 185 E HA -0.031 4.354 4.350 0.059 0.000 0.196 185 E C -0.019 176.568 176.600 -0.021 0.000 1.066 185 E CA -0.059 56.330 56.400 -0.018 0.000 0.871 185 E CB 0.098 29.787 29.700 -0.019 0.000 0.863 185 E HN 0.306 nan 8.360 nan 0.000 0.520 186 D N 2.199 122.581 120.400 -0.029 0.000 2.390 186 D HA -0.037 4.639 4.640 0.059 0.000 0.249 186 D C -0.425 175.871 176.300 -0.007 0.000 1.144 186 D CA 0.212 54.194 54.000 -0.029 0.000 0.880 186 D CB 0.835 41.604 40.800 -0.052 0.000 1.182 186 D HN 0.002 nan 8.370 nan 0.000 0.451 187 D N 1.242 121.641 120.400 -0.001 0.000 2.895 187 D HA 0.076 4.751 4.640 0.059 0.000 0.350 187 D C -0.333 175.981 176.300 0.024 0.000 1.389 187 D CA -0.490 53.520 54.000 0.016 0.000 0.812 187 D CB -0.172 40.636 40.800 0.012 0.000 1.164 187 D HN -0.002 nan 8.370 nan 0.000 0.455 188 T N 0.585 115.152 114.554 0.022 0.000 2.940 188 T HA 0.367 4.752 4.350 0.059 0.000 0.309 188 T C -0.044 174.691 174.700 0.059 0.000 1.056 188 T CA 0.123 62.239 62.100 0.026 0.000 1.137 188 T CB 1.056 69.933 68.868 0.015 0.000 0.976 188 T HN 0.249 nan 8.240 nan 0.000 0.547 189 S N 2.013 117.742 115.700 0.048 0.000 2.588 189 S HA 0.786 5.292 4.470 0.059 0.000 0.275 189 S C -1.485 173.131 174.600 0.026 0.000 1.130 189 S CA -0.908 57.333 58.200 0.067 0.000 0.855 189 S CB 0.737 63.971 63.200 0.057 0.000 1.116 189 S HN 0.564 nan 8.310 nan 0.000 0.472 190 L N 2.487 123.727 121.223 0.028 0.000 2.371 190 L HA 0.746 5.122 4.340 0.059 0.000 0.262 190 L C -0.913 175.837 176.870 -0.201 0.000 1.006 190 L CA -1.250 53.515 54.840 -0.125 0.000 0.818 190 L CB 2.199 44.197 42.059 -0.102 0.000 1.354 190 L HN 0.600 nan 8.230 nan 0.000 0.415 191 V N -1.182 118.485 119.914 -0.411 0.000 2.409 191 V HA 0.632 4.788 4.120 0.059 0.000 0.291 191 V C -0.980 174.826 176.094 -0.481 0.000 1.020 191 V CA -0.443 61.688 62.300 -0.281 0.000 0.848 191 V CB 1.172 32.905 31.823 -0.149 0.000 0.990 191 V HN 0.487 nan 8.190 nan 0.000 0.430 192 F N 2.431 122.430 119.950 0.083 0.000 2.563 192 F HA 0.770 5.332 4.527 0.059 0.000 0.316 192 F C 0.850 176.745 175.800 0.158 0.000 1.076 192 F CA -0.525 57.526 58.000 0.085 0.000 0.921 192 F CB 2.493 41.527 39.000 0.057 0.000 1.209 192 F HN 0.783 nan 8.300 nan 0.000 0.462 193 S N 0.706 116.603 115.700 0.328 0.000 2.645 193 S HA 0.228 4.734 4.470 0.059 0.000 0.266 193 S C 1.049 175.806 174.600 0.262 0.000 1.258 193 S CA -0.663 57.706 58.200 0.282 0.000 0.990 193 S CB 1.396 64.701 63.200 0.176 0.000 0.967 193 S HN 0.836 nan 8.310 nan 0.000 0.556 194 K N 0.594 121.147 120.400 0.256 0.000 2.147 194 K HA -0.079 4.276 4.320 0.059 0.000 0.205 194 K C 2.086 178.708 176.600 0.037 0.000 1.049 194 K CA 1.258 57.575 56.287 0.051 0.000 0.936 194 K CB -0.874 31.669 32.500 0.071 0.000 0.722 194 K HN 0.741 nan 8.250 nan 0.000 0.446 195 A N 1.358 124.225 122.820 0.080 0.000 1.933 195 A HA -0.180 4.175 4.320 0.059 0.000 0.218 195 A C 1.665 179.280 177.584 0.051 0.000 1.175 195 A CA 1.726 53.800 52.037 0.061 0.000 0.628 195 A CB -0.409 18.633 19.000 0.069 0.000 0.814 195 A HN 0.537 nan 8.150 nan 0.000 0.444 196 E N -0.494 119.752 120.200 0.076 0.000 2.358 196 E HA 0.045 4.431 4.350 0.059 0.000 0.195 196 E C 0.403 176.936 176.600 -0.111 0.000 1.010 196 E CA 0.328 56.754 56.400 0.044 0.000 0.856 196 E CB -0.082 29.748 29.700 0.217 0.000 0.795 196 E HN 0.590 nan 8.360 nan 0.000 0.504 197 L N 1.039 122.208 121.223 -0.091 0.000 2.984 197 L HA 0.272 4.648 4.340 0.059 0.000 0.246 197 L C 0.865 177.666 176.870 -0.114 0.000 1.268 197 L CA -0.799 53.945 54.840 -0.159 0.000 1.054 197 L CB 0.301 42.283 42.059 -0.127 0.000 1.393 197 L HN -0.037 nan 8.230 nan 0.000 0.532 198 G N -0.243 108.508 108.800 -0.081 0.000 2.414 198 G HA2 0.262 4.258 3.960 0.059 0.000 0.236 198 G HA3 0.262 4.258 3.960 0.059 0.000 0.236 198 G C 1.003 175.870 174.900 -0.054 0.000 1.293 198 G CA 0.543 45.618 45.100 -0.042 0.000 0.869 198 G HN 0.526 nan 8.290 nan 0.000 0.556 199 A N 1.295 124.100 122.820 -0.024 0.000 3.907 199 A HA -0.187 4.168 4.320 0.059 0.000 0.257 199 A C 0.947 178.508 177.584 -0.039 0.000 0.945 199 A CA 1.056 53.084 52.037 -0.015 0.000 1.394 199 A CB -2.091 16.913 19.000 0.006 0.000 1.011 199 A HN 0.868 nan 8.150 nan 0.000 0.829 200 L N 0.929 122.111 121.223 -0.068 0.000 2.416 200 L HA 0.329 4.704 4.340 0.059 0.000 0.272 200 L C -1.750 175.118 176.870 -0.005 0.000 1.161 200 L CA -1.652 53.137 54.840 -0.085 0.000 0.845 200 L CB 0.118 42.123 42.059 -0.090 0.000 1.119 200 L HN 0.147 nan 8.230 nan 0.000 0.464 201 P HA -0.013 nan 4.420 nan 0.000 0.268 201 P C -0.043 177.312 177.300 0.091 0.000 1.208 201 P CA -0.207 62.928 63.100 0.059 0.000 0.777 201 P CB 0.596 32.340 31.700 0.072 0.000 0.875 202 D N 0.663 121.100 120.400 0.061 0.000 2.178 202 D HA -0.127 4.548 4.640 0.059 0.000 0.202 202 D C 1.107 177.443 176.300 0.061 0.000 0.974 202 D CA 1.354 55.382 54.000 0.046 0.000 0.841 202 D CB -0.342 40.481 40.800 0.038 0.000 0.953 202 D HN 0.405 nan 8.370 nan 0.000 0.478 203 D N -0.619 119.831 120.400 0.083 0.000 2.178 203 D HA -0.125 4.551 4.640 0.059 0.000 0.201 203 D C 1.583 177.951 176.300 0.113 0.000 0.980 203 D CA 0.423 54.476 54.000 0.088 0.000 0.842 203 D CB -0.156 40.702 40.800 0.097 0.000 0.948 203 D HN 0.159 nan 8.370 nan 0.000 0.472 204 F N 0.668 120.617 119.950 -0.001 0.000 2.118 204 F HA 0.032 4.595 4.527 0.059 0.000 0.293 204 F C 1.948 177.725 175.800 -0.040 0.000 1.102 204 F CA 0.975 58.970 58.000 -0.008 0.000 1.247 204 F CB -0.207 38.775 39.000 -0.030 0.000 1.017 204 F HN -0.122 nan 8.300 nan 0.000 0.475 205 I N 0.359 120.900 120.570 -0.048 0.000 2.226 205 I HA -0.300 3.905 4.170 0.059 0.000 0.245 205 I C 1.864 177.905 176.117 -0.128 0.000 1.100 205 I CA 1.538 62.708 61.300 -0.218 0.000 1.374 205 I CB -0.690 37.165 38.000 -0.241 0.000 1.057 205 I HN 0.108 nan 8.210 nan 0.000 0.413 206 D N 0.654 121.030 120.400 -0.039 0.000 2.182 206 D HA -0.152 4.524 4.640 0.059 0.000 0.201 206 D C 2.244 178.542 176.300 -0.004 0.000 0.986 206 D CA 1.732 55.743 54.000 0.017 0.000 0.847 206 D CB -0.131 40.686 40.800 0.028 0.000 0.942 206 D HN 0.370 nan 8.370 nan 0.000 0.467 207 S N -0.691 114.967 115.700 -0.070 0.000 2.603 207 S HA 0.067 4.572 4.470 0.059 0.000 0.220 207 S C 0.838 175.388 174.600 -0.082 0.000 0.967 207 S CA -0.285 57.878 58.200 -0.061 0.000 0.920 207 S CB -0.186 62.979 63.200 -0.059 0.000 0.773 207 S HN 0.081 nan 8.310 nan 0.000 0.529 208 L N 1.700 122.850 121.223 -0.123 0.000 2.357 208 L HA 0.462 4.837 4.340 0.059 0.000 0.273 208 L C 0.576 177.475 176.870 0.047 0.000 1.080 208 L CA -0.587 54.202 54.840 -0.086 0.000 0.803 208 L CB 0.980 42.960 42.059 -0.133 0.000 1.174 208 L HN 0.244 nan 8.230 nan 0.000 0.443 209 E N 2.266 122.490 120.200 0.041 0.000 2.383 209 E HA 0.131 4.516 4.350 0.059 0.000 0.264 209 E C -0.754 175.844 176.600 -0.005 0.000 1.050 209 E CA -0.264 56.151 56.400 0.024 0.000 0.896 209 E CB 1.066 30.783 29.700 0.028 0.000 0.982 209 E HN 0.336 nan 8.360 nan 0.000 0.424 210 K N 1.384 121.740 120.400 -0.074 0.000 2.207 210 K HA 0.255 4.610 4.320 0.059 0.000 0.255 210 K C -0.432 176.089 176.600 -0.132 0.000 0.941 210 K CA -0.590 55.580 56.287 -0.195 0.000 0.825 210 K CB 1.431 33.754 32.500 -0.295 0.000 1.119 210 K HN 0.619 nan 8.250 nan 0.000 0.430 211 T N -1.260 113.211 114.554 -0.140 0.000 2.849 211 T HA 0.085 4.471 4.350 0.059 0.000 0.276 211 T C 0.933 175.579 174.700 -0.090 0.000 0.971 211 T CA -0.362 61.684 62.100 -0.090 0.000 0.949 211 T CB 0.670 69.495 68.868 -0.072 0.000 1.093 211 T HN 0.684 nan 8.240 nan 0.000 0.545 212 D N -1.131 119.231 120.400 -0.064 0.000 2.378 212 D HA -0.012 4.664 4.640 0.059 0.000 0.222 212 D C 0.464 176.729 176.300 -0.057 0.000 0.980 212 D CA 0.613 54.580 54.000 -0.055 0.000 0.907 212 D CB -0.179 40.597 40.800 -0.040 0.000 0.899 212 D HN 0.764 nan 8.370 nan 0.000 0.527 213 E N -0.449 119.711 120.200 -0.067 0.000 2.285 213 E HA 0.203 4.588 4.350 0.059 0.000 0.254 213 E C -0.731 175.815 176.600 -0.090 0.000 1.011 213 E CA -0.784 55.580 56.400 -0.061 0.000 0.873 213 E CB 0.735 30.407 29.700 -0.048 0.000 1.229 213 E HN -0.141 nan 8.360 nan 0.000 0.422 214 D N 0.649 121.007 120.400 -0.069 0.000 3.008 214 D HA 0.029 4.704 4.640 0.059 0.000 0.242 214 D C -0.902 175.345 176.300 -0.088 0.000 1.222 214 D CA 0.194 54.141 54.000 -0.089 0.000 0.883 214 D CB -0.134 40.653 40.800 -0.021 0.000 1.110 214 D HN -0.017 nan 8.370 nan 0.000 0.455 215 K N 0.713 121.027 120.400 -0.143 0.000 2.328 215 K HA 0.331 4.686 4.320 0.059 0.000 0.246 215 K C -1.012 175.480 176.600 -0.179 0.000 0.955 215 K CA -0.778 55.476 56.287 -0.056 0.000 0.817 215 K CB 1.398 33.887 32.500 -0.018 0.000 1.208 215 K HN 0.067 nan 8.250 nan 0.000 0.432 216 Y N 0.698 121.017 120.300 0.031 0.000 2.377 216 Y HA 0.341 4.926 4.550 0.059 0.000 0.339 216 Y C 0.428 176.341 175.900 0.022 0.000 1.011 216 Y CA -0.742 57.368 58.100 0.017 0.000 1.093 216 Y CB 1.409 39.878 38.460 0.016 0.000 1.201 216 Y HN 0.175 nan 8.280 nan 0.000 0.455 217 K N 2.363 122.840 120.400 0.127 0.000 2.276 217 K HA 0.540 4.896 4.320 0.059 0.000 0.283 217 K C -1.161 175.489 176.600 0.082 0.000 1.044 217 K CA -0.492 55.847 56.287 0.087 0.000 0.944 217 K CB 1.039 33.576 32.500 0.062 0.000 1.012 217 K HN 0.345 nan 8.250 nan 0.000 0.472 218 V N 3.140 123.136 119.914 0.137 0.000 2.443 218 V HA 0.160 4.315 4.120 0.059 0.000 0.293 218 V C 0.378 176.643 176.094 0.286 0.000 1.021 218 V CA -0.878 61.509 62.300 0.145 0.000 0.848 218 V CB 1.494 33.484 31.823 0.279 0.000 0.998 218 V HN 0.971 nan 8.190 nan 0.000 0.424 219 T N 2.647 117.510 114.554 0.516 0.000 2.810 219 T HA 0.422 4.807 4.350 0.059 0.000 0.277 219 T C 0.599 175.516 174.700 0.361 0.000 0.973 219 T CA -0.575 61.753 62.100 0.379 0.000 0.949 219 T CB 0.896 69.936 68.868 0.287 0.000 1.075 219 T HN 0.209 nan 8.240 nan 0.000 0.537 220 L N -0.437 120.942 121.223 0.260 0.000 2.607 220 L HA 0.291 4.666 4.340 0.059 0.000 0.228 220 L C 0.876 177.950 176.870 0.340 0.000 1.123 220 L CA 0.466 55.477 54.840 0.284 0.000 0.890 220 L CB -1.095 41.086 42.059 0.204 0.000 1.103 220 L HN 0.593 nan 8.230 nan 0.000 0.468 221 K N -0.332 120.240 120.400 0.287 0.000 2.355 221 K HA -0.005 4.350 4.320 0.059 0.000 0.270 221 K C 1.116 178.010 176.600 0.490 0.000 1.003 221 K CA -0.238 56.262 56.287 0.354 0.000 0.957 221 K CB 0.415 33.000 32.500 0.143 0.000 0.939 221 K HN -0.125 nan 8.250 nan 0.000 0.482 222 Y N 2.348 122.840 120.300 0.320 0.000 2.062 222 Y HA -0.233 4.352 4.550 0.059 0.000 0.276 222 Y C -0.366 175.798 175.900 0.440 0.000 1.189 222 Y CA 1.750 60.144 58.100 0.491 0.000 1.130 222 Y CB -2.221 36.555 38.460 0.527 0.000 0.959 222 Y HN 0.607 nan 8.280 nan 0.000 0.499 223 P HA -0.184 nan 4.420 nan 0.000 0.220 223 P C 0.853 178.461 177.300 0.513 0.000 1.144 223 P CA 2.099 65.422 63.100 0.370 0.000 0.800 223 P CB -0.130 31.698 31.700 0.213 0.000 0.772 224 H N -3.033 116.259 119.070 0.371 0.000 2.406 224 H HA -0.010 4.582 4.556 0.059 0.000 0.304 224 H C 2.177 177.642 175.328 0.229 0.000 1.042 224 H CA 0.206 56.510 56.048 0.426 0.000 1.360 224 H CB -0.258 29.701 29.762 0.329 0.000 1.448 224 H HN -0.032 nan 8.280 nan 0.000 0.553 225 Y N 1.258 121.606 120.300 0.079 0.000 2.081 225 Y HA -0.307 4.279 4.550 0.059 0.000 0.280 225 Y C 1.845 177.397 175.900 -0.578 0.000 1.163 225 Y CA 1.712 59.585 58.100 -0.378 0.000 1.135 225 Y CB -0.685 37.281 38.460 -0.823 0.000 0.970 225 Y HN 0.038 nan 8.280 nan 0.000 0.498 226 F N 0.438 120.190 119.950 -0.331 0.000 2.146 226 F HA -0.121 4.442 4.527 0.059 0.000 0.298 226 F C -0.293 175.265 175.800 -0.403 0.000 1.096 226 F CA 1.449 59.165 58.000 -0.475 0.000 1.275 226 F CB -1.966 36.866 39.000 -0.279 0.000 1.008 226 F HN 0.118 nan 8.300 nan 0.000 0.480 227 P HA -0.088 nan 4.420 nan 0.000 0.220 227 P C 1.739 178.741 177.300 -0.497 0.000 1.148 227 P CA 1.251 64.142 63.100 -0.347 0.000 0.803 227 P CB -0.040 31.355 31.700 -0.508 0.000 0.782 228 V N -0.522 119.073 119.914 -0.531 0.000 2.591 228 V HA -0.108 4.048 4.120 0.059 0.000 0.249 228 V C 2.452 178.283 176.094 -0.438 0.000 1.053 228 V CA 1.370 63.380 62.300 -0.483 0.000 1.068 228 V CB -0.930 30.661 31.823 -0.387 0.000 0.689 228 V HN 0.035 nan 8.190 nan 0.000 0.462 229 M N -0.846 118.427 119.600 -0.545 0.000 2.447 229 M HA 0.040 4.555 4.480 0.059 0.000 0.264 229 M C 1.906 178.104 176.300 -0.169 0.000 1.095 229 M CA 1.253 56.277 55.300 -0.460 0.000 1.125 229 M CB -0.741 31.372 32.600 -0.811 0.000 1.389 229 M HN 0.257 nan 8.290 nan 0.000 0.459 230 K N 0.042 120.351 120.400 -0.153 0.000 2.284 230 K HA 0.025 4.380 4.320 0.059 0.000 0.198 230 K C 1.477 178.101 176.600 0.039 0.000 1.048 230 K CA 0.648 56.931 56.287 -0.007 0.000 0.987 230 K CB 0.576 33.064 32.500 -0.020 0.000 0.800 230 K HN 0.283 nan 8.250 nan 0.000 0.486 231 K N -0.602 119.784 120.400 -0.023 0.000 2.474 231 K HA 0.123 4.479 4.320 0.059 0.000 0.204 231 K C 0.334 176.957 176.600 0.038 0.000 1.220 231 K CA -0.164 56.135 56.287 0.021 0.000 0.966 231 K CB 0.706 33.147 32.500 -0.097 0.000 1.049 231 K HN -0.043 nan 8.250 nan 0.000 0.554 232 C N 3.048 122.258 119.300 -0.150 0.000 2.601 232 C HA 0.001 4.496 4.460 0.059 0.000 0.405 232 C C 2.181 176.923 174.990 -0.415 0.000 1.441 232 C CA -0.589 58.274 59.018 -0.258 0.000 1.555 232 C CB -1.175 26.357 27.740 -0.346 0.000 2.450 232 C HN 0.782 nan 8.230 nan 0.000 0.614 233 C N 5.003 124.134 119.300 -0.280 0.000 2.576 233 C HA 0.264 4.759 4.460 0.059 0.000 0.267 233 C C 0.628 175.342 174.990 -0.460 0.000 1.364 233 C CA -0.244 58.555 59.018 -0.364 0.000 1.723 233 C CB -2.061 25.655 27.740 -0.040 0.000 1.778 233 C HN 0.663 nan 8.230 nan 0.000 0.572 234 V N 3.753 123.451 119.914 -0.361 0.000 2.339 234 V HA 0.230 4.386 4.120 0.059 0.000 0.261 234 V C -0.646 175.230 176.094 -0.364 0.000 1.058 234 V CA -0.989 61.141 62.300 -0.284 0.000 0.897 234 V CB 0.592 32.351 31.823 -0.106 0.000 1.052 234 V HN 0.264 nan 8.190 nan 0.000 0.480 235 P HA -0.263 nan 4.420 nan 0.000 0.217 235 P C 1.390 178.575 177.300 -0.192 0.000 1.158 235 P CA 1.481 64.424 63.100 -0.262 0.000 0.887 235 P CB 0.591 32.167 31.700 -0.207 0.000 0.792 236 E N -0.833 119.280 120.200 -0.145 0.000 2.204 236 E HA -0.112 4.274 4.350 0.059 0.000 0.194 236 E C 1.700 178.195 176.600 -0.175 0.000 0.989 236 E CA 1.281 57.582 56.400 -0.165 0.000 0.824 236 E CB -0.210 29.462 29.700 -0.045 0.000 0.756 236 E HN 0.172 nan 8.360 nan 0.000 0.477 237 T N 0.499 114.941 114.554 -0.187 0.000 2.737 237 T HA -0.080 4.305 4.350 0.059 0.000 0.265 237 T C 1.782 176.305 174.700 -0.296 0.000 1.038 237 T CA 0.994 62.919 62.100 -0.291 0.000 1.144 237 T CB -0.138 68.409 68.868 -0.536 0.000 0.866 237 T HN 0.191 nan 8.240 nan 0.000 0.434 238 R N 0.779 121.106 120.500 -0.288 0.000 2.105 238 R HA -0.056 4.320 4.340 0.059 0.000 0.239 238 R C 2.672 178.888 176.300 -0.141 0.000 1.135 238 R CA 1.239 57.219 56.100 -0.200 0.000 0.967 238 R CB -0.286 29.945 30.300 -0.115 0.000 0.861 238 R HN 0.302 nan 8.270 nan 0.000 0.442 239 R N 1.106 121.355 120.500 -0.419 0.000 2.073 239 R HA -0.125 4.251 4.340 0.059 0.000 0.234 239 R C 1.814 177.895 176.300 -0.365 0.000 1.134 239 R CA 1.413 57.003 56.100 -0.850 0.000 0.952 239 R CB 0.110 29.581 30.300 -1.382 0.000 0.850 239 R HN -0.016 nan 8.270 nan 0.000 0.433 240 K N 0.098 120.390 120.400 -0.181 0.000 2.097 240 K HA -0.088 4.268 4.320 0.059 0.000 0.205 240 K C 2.079 178.738 176.600 0.099 0.000 1.050 240 K CA 1.078 57.362 56.287 -0.005 0.000 0.938 240 K CB -0.248 32.330 32.500 0.130 0.000 0.718 240 K HN 0.269 nan 8.250 nan 0.000 0.442 241 M N 1.134 120.809 119.600 0.126 0.000 2.086 241 M HA -0.126 4.389 4.480 0.059 0.000 0.261 241 M C 2.076 178.542 176.300 0.278 0.000 1.067 241 M CA 1.436 56.862 55.300 0.210 0.000 1.116 241 M CB -0.760 31.907 32.600 0.111 0.000 1.348 241 M HN 0.212 nan 8.290 nan 0.000 0.407 242 E N 0.207 120.552 120.200 0.243 0.000 2.110 242 E HA -0.229 4.157 4.350 0.059 0.000 0.193 242 E C 1.926 178.678 176.600 0.252 0.000 0.988 242 E CA 1.361 57.942 56.400 0.302 0.000 0.804 242 E CB -0.139 29.799 29.700 0.396 0.000 0.745 242 E HN 0.331 nan 8.360 nan 0.000 0.458 243 M N 0.825 120.534 119.600 0.181 0.000 2.067 243 M HA -0.077 4.438 4.480 0.059 0.000 0.260 243 M C 2.132 178.506 176.300 0.125 0.000 1.069 243 M CA 2.197 57.587 55.300 0.150 0.000 1.117 243 M CB -0.703 31.932 32.600 0.059 0.000 1.334 243 M HN 0.073 nan 8.290 nan 0.000 0.407 244 A N -0.821 122.062 122.820 0.105 0.000 1.902 244 A HA -0.154 4.201 4.320 0.059 0.000 0.217 244 A C 2.201 179.813 177.584 0.048 0.000 1.181 244 A CA 1.720 53.801 52.037 0.074 0.000 0.623 244 A CB -1.403 17.648 19.000 0.085 0.000 0.818 244 A HN 0.667 nan 8.150 nan 0.000 0.443 245 F N 0.076 119.938 119.950 -0.148 0.000 2.186 245 F HA -0.140 4.423 4.527 0.059 0.000 0.299 245 F C 1.813 177.455 175.800 -0.263 0.000 1.090 245 F CA 1.878 59.650 58.000 -0.380 0.000 1.307 245 F CB -0.159 38.260 39.000 -0.968 0.000 1.019 245 F HN 0.406 nan 8.300 nan 0.000 0.489 246 H N -1.138 117.929 119.070 -0.004 0.000 2.537 246 H HA 0.148 4.739 4.556 0.059 0.000 0.295 246 H C 0.784 176.072 175.328 -0.067 0.000 1.054 246 H CA 0.532 56.539 56.048 -0.067 0.000 1.156 246 H CB 0.008 29.834 29.762 0.107 0.000 1.468 246 H HN 0.274 nan 8.280 nan 0.000 0.551 247 T N -2.918 111.645 114.554 0.015 0.000 3.087 247 T HA 0.182 4.567 4.350 0.059 0.000 0.283 247 T C 0.648 175.309 174.700 -0.064 0.000 0.956 247 T CA -0.576 61.521 62.100 -0.005 0.000 0.894 247 T CB 0.343 69.224 68.868 0.022 0.000 1.160 247 T HN 0.030 nan 8.240 nan 0.000 0.532 248 R N 0.700 121.123 120.500 -0.128 0.000 2.585 248 R HA 0.347 4.723 4.340 0.059 0.000 0.275 248 R C 0.845 177.052 176.300 -0.156 0.000 1.018 248 R CA 0.504 56.512 56.100 -0.152 0.000 1.072 248 R CB -0.538 29.624 30.300 -0.231 0.000 0.953 248 R HN 0.427 nan 8.270 nan 0.000 0.419 249 C N 1.071 120.290 119.300 -0.134 0.000 4.205 249 C HA -0.237 4.258 4.460 0.059 0.000 0.289 249 C C 2.182 177.095 174.990 -0.128 0.000 1.477 249 C CA 1.057 59.986 59.018 -0.148 0.000 2.008 249 C CB -2.275 25.324 27.740 -0.235 0.000 1.303 249 C HN 1.041 nan 8.230 nan 0.000 0.796 250 K N 0.895 121.242 120.400 -0.089 0.000 2.030 250 K HA -0.336 4.019 4.320 0.059 0.000 0.222 250 K C 2.130 178.706 176.600 -0.040 0.000 1.056 250 K CA 2.405 58.659 56.287 -0.056 0.000 0.957 250 K CB -0.334 32.149 32.500 -0.028 0.000 0.727 250 K HN 0.783 nan 8.250 nan 0.000 0.452 251 Q N 0.354 120.134 119.800 -0.034 0.000 2.002 251 Q HA -0.246 4.129 4.340 0.059 0.000 0.204 251 Q C 1.878 177.864 176.000 -0.024 0.000 0.988 251 Q CA 2.291 58.081 55.803 -0.022 0.000 0.843 251 Q CB -0.090 28.636 28.738 -0.020 0.000 0.908 251 Q HN 0.444 nan 8.270 nan 0.000 0.420 252 E N 0.425 120.600 120.200 -0.042 0.000 2.033 252 E HA -0.202 4.184 4.350 0.059 0.000 0.199 252 E C 1.879 178.458 176.600 -0.035 0.000 1.011 252 E CA 1.656 58.030 56.400 -0.043 0.000 0.815 252 E CB -0.110 29.549 29.700 -0.069 0.000 0.755 252 E HN 0.381 nan 8.360 nan 0.000 0.451 253 N N -0.440 118.207 118.700 -0.087 0.000 2.331 253 N HA -0.050 4.725 4.740 0.059 0.000 0.180 253 N C 1.603 177.169 175.510 0.093 0.000 1.019 253 N CA 0.995 54.010 53.050 -0.057 0.000 0.881 253 N CB -0.210 38.036 38.487 -0.402 0.000 0.972 253 N HN 0.081 nan 8.380 nan 0.000 0.435 254 T N 0.334 114.912 114.554 0.040 0.000 2.812 254 T HA 0.012 4.397 4.350 0.059 0.000 0.264 254 T C 1.915 176.645 174.700 0.051 0.000 1.042 254 T CA 1.184 63.317 62.100 0.055 0.000 1.140 254 T CB -0.244 68.640 68.868 0.027 0.000 0.870 254 T HN 0.294 nan 8.240 nan 0.000 0.445 255 A N 1.053 123.893 122.820 0.033 0.000 1.940 255 A HA -0.033 4.322 4.320 0.059 0.000 0.219 255 A C 2.236 179.843 177.584 0.039 0.000 1.176 255 A CA 1.227 53.279 52.037 0.026 0.000 0.631 255 A CB -0.732 18.276 19.000 0.013 0.000 0.814 255 A HN 0.538 nan 8.150 nan 0.000 0.446 256 I N -0.613 120.001 120.570 0.072 0.000 2.202 256 I HA -0.220 3.985 4.170 0.059 0.000 0.242 256 I C 2.365 178.524 176.117 0.070 0.000 1.091 256 I CA 0.977 62.333 61.300 0.094 0.000 1.368 256 I CB -0.339 37.777 38.000 0.193 0.000 1.058 256 I HN 0.276 nan 8.210 nan 0.000 0.410 257 L N 0.163 121.446 121.223 0.100 0.000 2.079 257 L HA -0.261 4.114 4.340 0.059 0.000 0.210 257 L C 2.577 179.443 176.870 -0.007 0.000 1.081 257 L CA 1.490 56.347 54.840 0.028 0.000 0.752 257 L CB -0.570 41.528 42.059 0.065 0.000 0.896 257 L HN 0.334 nan 8.230 nan 0.000 0.433 258 Q N -0.670 119.137 119.800 0.011 0.000 2.291 258 Q HA -0.233 4.142 4.340 0.059 0.000 0.206 258 Q C 2.035 178.026 176.000 -0.015 0.000 0.976 258 Q CA 1.255 57.056 55.803 -0.003 0.000 0.875 258 Q CB 0.046 28.788 28.738 0.006 0.000 0.927 258 Q HN 0.634 nan 8.270 nan 0.000 0.450 259 Q N -0.731 119.060 119.800 -0.016 0.000 2.390 259 Q HA 0.001 4.377 4.340 0.059 0.000 0.216 259 Q C 1.836 177.808 176.000 -0.047 0.000 0.916 259 Q CA 0.072 55.860 55.803 -0.025 0.000 0.911 259 Q CB 0.098 28.827 28.738 -0.016 0.000 1.035 259 Q HN 0.185 nan 8.270 nan 0.000 0.541 260 L N 1.138 122.326 121.223 -0.058 0.000 2.017 260 L HA -0.135 4.241 4.340 0.059 0.000 0.208 260 L C 1.886 178.676 176.870 -0.133 0.000 1.073 260 L CA 1.712 56.494 54.840 -0.097 0.000 0.745 260 L CB -0.396 41.597 42.059 -0.111 0.000 0.894 260 L HN 0.176 nan 8.230 nan 0.000 0.432 261 L N -0.711 120.432 121.223 -0.132 0.000 2.056 261 L HA -0.113 4.262 4.340 0.059 0.000 0.207 261 L C -0.178 176.628 176.870 -0.107 0.000 1.078 261 L CA 1.023 55.769 54.840 -0.157 0.000 0.749 261 L CB -1.947 40.017 42.059 -0.159 0.000 0.901 261 L HN 0.227 nan 8.230 nan 0.000 0.433 262 P HA -0.139 nan 4.420 nan 0.000 0.218 262 P C 1.965 179.230 177.300 -0.058 0.000 1.149 262 P CA 1.203 64.273 63.100 -0.050 0.000 0.817 262 P CB 0.127 31.805 31.700 -0.036 0.000 0.785 263 L N -1.074 120.102 121.223 -0.077 0.000 2.093 263 L HA -0.144 4.231 4.340 0.059 0.000 0.208 263 L C 2.528 179.330 176.870 -0.114 0.000 1.085 263 L CA 1.498 56.286 54.840 -0.087 0.000 0.755 263 L CB -0.448 41.556 42.059 -0.091 0.000 0.904 263 L HN -0.096 nan 8.230 nan 0.000 0.435 264 R N -0.468 119.935 120.500 -0.162 0.000 2.115 264 R HA -0.112 4.263 4.340 0.059 0.000 0.230 264 R C 2.358 178.617 176.300 -0.069 0.000 1.111 264 R CA 1.154 57.111 56.100 -0.238 0.000 0.976 264 R CB -0.326 29.692 30.300 -0.470 0.000 0.870 264 R HN 0.352 nan 8.270 nan 0.000 0.445 265 A N 1.112 123.913 122.820 -0.032 0.000 1.872 265 A HA -0.183 4.172 4.320 0.059 0.000 0.214 265 A C 2.026 179.615 177.584 0.008 0.000 1.187 265 A CA 0.995 53.045 52.037 0.023 0.000 0.614 265 A CB -0.321 18.689 19.000 0.017 0.000 0.826 265 A HN 0.287 nan 8.150 nan 0.000 0.442 266 Q N -0.228 119.560 119.800 -0.020 0.000 2.030 266 Q HA -0.152 4.223 4.340 0.059 0.000 0.204 266 Q C 2.111 178.089 176.000 -0.036 0.000 0.986 266 Q CA 1.851 57.640 55.803 -0.022 0.000 0.843 266 Q CB -0.563 28.154 28.738 -0.034 0.000 0.904 266 Q HN 0.452 nan 8.270 nan 0.000 0.420 267 V N 1.304 121.176 119.914 -0.070 0.000 2.332 267 V HA -0.313 3.842 4.120 0.059 0.000 0.248 267 V C 2.324 178.341 176.094 -0.128 0.000 1.055 267 V CA 1.866 64.097 62.300 -0.114 0.000 1.038 267 V CB -1.099 30.625 31.823 -0.166 0.000 0.651 267 V HN 0.436 nan 8.190 nan 0.000 0.450 268 A N -0.564 122.204 122.820 -0.087 0.000 1.902 268 A HA -0.179 4.177 4.320 0.059 0.000 0.217 268 A C 2.320 179.963 177.584 0.099 0.000 1.181 268 A CA 1.548 53.564 52.037 -0.035 0.000 0.623 268 A CB -0.395 18.646 19.000 0.069 0.000 0.818 268 A HN 0.395 nan 8.150 nan 0.000 0.443 269 K N -0.021 120.419 120.400 0.067 0.000 2.002 269 K HA -0.049 4.306 4.320 0.059 0.000 0.209 269 K C 1.895 178.531 176.600 0.060 0.000 1.048 269 K CA 1.250 57.580 56.287 0.072 0.000 0.930 269 K CB -0.814 31.712 32.500 0.043 0.000 0.714 269 K HN 0.552 nan 8.250 nan 0.000 0.438 270 L N 0.713 121.950 121.223 0.024 0.000 2.187 270 L HA -0.150 4.225 4.340 0.059 0.000 0.213 270 L C 2.226 179.117 176.870 0.035 0.000 1.100 270 L CA 0.808 55.653 54.840 0.009 0.000 0.765 270 L CB -0.316 41.725 42.059 -0.031 0.000 0.904 270 L HN 0.113 nan 8.230 nan 0.000 0.437 271 L N -0.890 120.382 121.223 0.082 0.000 2.558 271 L HA 0.105 4.480 4.340 0.059 0.000 0.225 271 L C 1.413 178.468 176.870 0.309 0.000 1.128 271 L CA 0.644 55.604 54.840 0.201 0.000 0.868 271 L CB -0.058 42.109 42.059 0.180 0.000 1.006 271 L HN 0.472 nan 8.230 nan 0.000 0.454 272 G N -1.456 107.468 108.800 0.206 0.000 2.148 272 G HA2 -0.264 3.732 3.960 0.059 0.000 0.203 272 G HA3 -0.264 3.732 3.960 0.059 0.000 0.203 272 G C -0.240 174.629 174.900 -0.051 0.000 0.993 272 G CA -0.581 44.555 45.100 0.060 0.000 0.661 272 G HN 0.172 nan 8.290 nan 0.000 0.518 273 Y N 0.384 120.734 120.300 0.083 0.000 2.420 273 Y HA 0.519 5.104 4.550 0.058 0.000 0.334 273 Y C 1.401 177.343 175.900 0.069 0.000 1.094 273 Y CA -1.016 57.139 58.100 0.093 0.000 1.126 273 Y CB 0.991 39.543 38.460 0.154 0.000 1.217 273 Y HN -0.053 nan 8.280 nan 0.000 0.462 274 N N 0.315 119.134 118.700 0.199 0.000 2.188 274 N HA -0.080 4.695 4.740 0.059 0.000 0.184 274 N C 0.379 175.975 175.510 0.143 0.000 1.018 274 N CA 1.544 54.673 53.050 0.133 0.000 0.858 274 N CB 0.053 38.599 38.487 0.097 0.000 0.989 274 N HN 0.784 nan 8.380 nan 0.000 0.426 275 T N -4.106 110.557 114.554 0.182 0.000 2.841 275 T HA 0.212 4.597 4.350 0.059 0.000 0.296 275 T C 0.587 175.408 174.700 0.201 0.000 1.166 275 T CA -0.668 61.535 62.100 0.171 0.000 1.007 275 T CB 2.050 71.008 68.868 0.151 0.000 1.253 275 T HN 0.014 nan 8.240 nan 0.000 0.511 276 H N 0.771 119.911 119.070 0.118 0.000 2.423 276 H HA 0.236 4.826 4.556 0.057 0.000 0.297 276 H C 2.180 177.600 175.328 0.152 0.000 1.075 276 H CA 2.317 58.437 56.048 0.119 0.000 1.342 276 H CB -0.496 29.350 29.762 0.141 0.000 1.395 276 H HN 0.770 nan 8.280 nan 0.000 0.530 277 A N 0.543 123.443 122.820 0.134 0.000 1.877 277 A HA -0.179 4.176 4.320 0.059 0.000 0.216 277 A C 2.061 179.641 177.584 -0.007 0.000 1.186 277 A CA 1.778 53.842 52.037 0.046 0.000 0.620 277 A CB -0.457 18.609 19.000 0.111 0.000 0.822 277 A HN 0.520 nan 8.150 nan 0.000 0.443 278 D N -1.000 119.443 120.400 0.073 0.000 2.149 278 D HA -0.158 4.518 4.640 0.059 0.000 0.198 278 D C 1.580 177.924 176.300 0.073 0.000 0.990 278 D CA 1.283 55.355 54.000 0.120 0.000 0.839 278 D CB -0.483 40.466 40.800 0.248 0.000 0.948 278 D HN 0.481 nan 8.370 nan 0.000 0.460 279 F N 1.495 121.289 119.950 -0.259 0.000 2.102 279 F HA -0.211 4.345 4.527 0.047 0.000 0.298 279 F C 2.174 177.700 175.800 -0.456 0.000 1.105 279 F CA 1.076 58.662 58.000 -0.691 0.000 1.239 279 F CB -0.280 38.267 39.000 -0.754 0.000 0.991 279 F HN -0.205 nan 8.300 nan 0.000 0.474 280 V N 0.052 119.718 119.914 -0.414 0.000 2.283 280 V HA -0.258 3.897 4.120 0.059 0.000 0.243 280 V C 2.330 178.270 176.094 -0.257 0.000 1.039 280 V CA 1.342 63.415 62.300 -0.378 0.000 1.016 280 V CB -0.842 30.818 31.823 -0.272 0.000 0.650 280 V HN 0.246 nan 8.190 nan 0.000 0.449 281 L N 0.272 121.394 121.223 -0.168 0.000 2.265 281 L HA -0.138 4.238 4.340 0.059 0.000 0.215 281 L C 2.393 179.192 176.870 -0.118 0.000 1.117 281 L CA 1.619 56.386 54.840 -0.122 0.000 0.782 281 L CB -1.252 40.729 42.059 -0.129 0.000 0.914 281 L HN 0.503 nan 8.230 nan 0.000 0.441 282 E N -0.086 120.038 120.200 -0.128 0.000 2.160 282 E HA -0.206 4.180 4.350 0.059 0.000 0.195 282 E C 1.812 178.355 176.600 -0.095 0.000 0.991 282 E CA 0.953 57.308 56.400 -0.075 0.000 0.810 282 E CB -0.021 29.670 29.700 -0.015 0.000 0.742 282 E HN 0.493 nan 8.360 nan 0.000 0.466 283 L N 0.897 122.031 121.223 -0.148 0.000 2.611 283 L HA 0.174 4.549 4.340 0.059 0.000 0.229 283 L C 0.452 177.283 176.870 -0.066 0.000 1.137 283 L CA -0.164 54.609 54.840 -0.112 0.000 0.901 283 L CB -0.175 41.794 42.059 -0.151 0.000 1.098 283 L HN 0.062 nan 8.230 nan 0.000 0.456 284 N N -1.095 117.569 118.700 -0.059 0.000 2.483 284 N HA 0.146 4.921 4.740 0.059 0.000 0.285 284 N C 1.043 176.553 175.510 0.001 0.000 1.210 284 N CA 0.067 53.104 53.050 -0.022 0.000 0.931 284 N CB 1.462 39.933 38.487 -0.027 0.000 1.220 284 N HN -0.087 nan 8.380 nan 0.000 0.542 285 T N -2.683 111.924 114.554 0.088 0.000 3.035 285 T HA -0.015 4.370 4.350 0.059 0.000 0.268 285 T C 1.598 176.408 174.700 0.183 0.000 1.109 285 T CA 0.602 62.829 62.100 0.212 0.000 1.119 285 T CB -0.168 68.995 68.868 0.493 0.000 0.900 285 T HN 0.501 nan 8.240 nan 0.000 0.503 286 A N 1.638 124.339 122.820 -0.199 0.000 1.968 286 A HA 0.083 4.439 4.320 0.059 0.000 0.217 286 A C 1.879 179.332 177.584 -0.217 0.000 1.169 286 A CA 1.391 53.092 52.037 -0.560 0.000 0.638 286 A CB -0.261 18.064 19.000 -1.125 0.000 0.812 286 A HN 0.398 nan 8.150 nan 0.000 0.446 287 K N -1.814 118.506 120.400 -0.133 0.000 5.503 287 K HA -0.205 4.151 4.320 0.059 0.000 0.447 287 K C 0.610 177.163 176.600 -0.078 0.000 0.396 287 K CA 2.008 58.254 56.287 -0.069 0.000 1.904 287 K CB -2.297 30.196 32.500 -0.011 0.000 0.786 287 K HN 1.039 nan 8.250 nan 0.000 0.639 288 S N -1.645 113.990 115.700 -0.107 0.000 2.651 288 S HA 0.570 5.076 4.470 0.059 0.000 0.279 288 S C 0.921 175.450 174.600 -0.120 0.000 1.148 288 S CA -0.109 58.044 58.200 -0.078 0.000 0.837 288 S CB 2.120 65.306 63.200 -0.023 0.000 1.138 288 S HN 0.091 nan 8.310 nan 0.000 0.478 289 T N 2.018 116.533 114.554 -0.064 0.000 2.746 289 T HA -0.131 4.255 4.350 0.059 0.000 0.267 289 T C 2.220 176.894 174.700 -0.043 0.000 1.039 289 T CA 2.134 64.200 62.100 -0.056 0.000 1.142 289 T CB -0.789 68.083 68.868 0.007 0.000 0.866 289 T HN 0.894 nan 8.240 nan 0.000 0.444 290 S N 1.858 117.551 115.700 -0.011 0.000 2.368 290 S HA -0.134 4.371 4.470 0.059 0.000 0.225 290 S C 2.100 176.711 174.600 0.018 0.000 1.030 290 S CA 1.132 59.340 58.200 0.014 0.000 0.999 290 S CB -0.355 62.862 63.200 0.028 0.000 0.844 290 S HN 0.281 nan 8.310 nan 0.000 0.459 291 R N 1.265 121.763 120.500 -0.003 0.000 2.081 291 R HA 0.086 4.461 4.340 0.059 0.000 0.235 291 R C 2.108 178.420 176.300 0.021 0.000 1.131 291 R CA 1.701 57.821 56.100 0.034 0.000 0.960 291 R CB -1.287 29.021 30.300 0.014 0.000 0.856 291 R HN 0.372 nan 8.270 nan 0.000 0.436 292 V N 0.652 120.471 119.914 -0.159 0.000 2.358 292 V HA -0.168 3.988 4.120 0.059 0.000 0.246 292 V C 2.304 178.408 176.094 0.017 0.000 1.047 292 V CA 1.833 63.992 62.300 -0.235 0.000 1.035 292 V CB -0.804 30.665 31.823 -0.591 0.000 0.658 292 V HN 0.535 nan 8.190 nan 0.000 0.452 293 A N -0.014 122.810 122.820 0.008 0.000 1.902 293 A HA -0.135 4.221 4.320 0.059 0.000 0.217 293 A C 2.396 180.029 177.584 0.081 0.000 1.181 293 A CA 2.136 54.200 52.037 0.045 0.000 0.623 293 A CB -0.735 18.290 19.000 0.042 0.000 0.818 293 A HN 0.569 nan 8.150 nan 0.000 0.443 294 A N -1.358 121.524 122.820 0.104 0.000 1.930 294 A HA 0.051 4.407 4.320 0.059 0.000 0.217 294 A C 2.004 179.686 177.584 0.164 0.000 1.175 294 A CA 1.457 53.565 52.037 0.118 0.000 0.627 294 A CB -0.653 18.421 19.000 0.123 0.000 0.815 294 A HN 0.679 nan 8.150 nan 0.000 0.443 295 F N 0.852 120.859 119.950 0.095 0.000 2.075 295 F HA -0.149 4.414 4.527 0.060 0.000 0.297 295 F C 1.890 177.749 175.800 0.099 0.000 1.113 295 F CA 1.849 59.936 58.000 0.144 0.000 1.218 295 F CB -0.395 38.782 39.000 0.296 0.000 0.984 295 F HN 0.138 nan 8.300 nan 0.000 0.472 296 L N -0.099 121.145 121.223 0.034 0.000 2.027 296 L HA -0.197 4.178 4.340 0.059 0.000 0.206 296 L C 2.235 179.051 176.870 -0.090 0.000 1.074 296 L CA 1.457 56.243 54.840 -0.091 0.000 0.745 296 L CB -0.966 41.127 42.059 0.056 0.000 0.898 296 L HN 0.096 nan 8.230 nan 0.000 0.433 297 D N 0.251 120.639 120.400 -0.020 0.000 2.104 297 D HA -0.185 4.491 4.640 0.059 0.000 0.194 297 D C 1.791 178.079 176.300 -0.021 0.000 0.994 297 D CA 1.340 55.338 54.000 -0.003 0.000 0.830 297 D CB -0.295 40.524 40.800 0.032 0.000 0.959 297 D HN 0.278 nan 8.370 nan 0.000 0.452 298 D N -0.153 120.229 120.400 -0.031 0.000 2.144 298 D HA -0.096 4.579 4.640 0.059 0.000 0.200 298 D C 2.092 178.352 176.300 -0.067 0.000 0.978 298 D CA 0.212 54.194 54.000 -0.031 0.000 0.833 298 D CB -0.263 40.532 40.800 -0.007 0.000 0.961 298 D HN 0.094 nan 8.370 nan 0.000 0.470 299 L N 1.071 122.200 121.223 -0.157 0.000 2.027 299 L HA -0.143 4.232 4.340 0.059 0.000 0.206 299 L C 2.352 179.185 176.870 -0.062 0.000 1.074 299 L CA 1.512 56.257 54.840 -0.157 0.000 0.745 299 L CB -0.823 41.024 42.059 -0.354 0.000 0.898 299 L HN 0.040 nan 8.230 nan 0.000 0.433 300 S N -1.987 113.680 115.700 -0.056 0.000 2.423 300 S HA -0.240 4.265 4.470 0.059 0.000 0.231 300 S C 1.932 176.529 174.600 -0.004 0.000 1.014 300 S CA 1.049 59.240 58.200 -0.015 0.000 0.965 300 S CB -0.438 62.759 63.200 -0.005 0.000 0.785 300 S HN 0.458 nan 8.310 nan 0.000 0.495 301 Q N 1.498 121.294 119.800 -0.007 0.000 2.049 301 Q HA 0.120 4.496 4.340 0.059 0.000 0.198 301 Q C 2.012 178.012 176.000 0.000 0.000 0.971 301 Q CA 1.472 57.276 55.803 0.001 0.000 0.833 301 Q CB -0.302 28.439 28.738 0.004 0.000 0.896 301 Q HN 0.402 nan 8.270 nan 0.000 0.434 302 K N -0.672 119.727 120.400 -0.002 0.000 2.209 302 K HA -0.043 4.313 4.320 0.059 0.000 0.204 302 K C 1.335 177.934 176.600 -0.001 0.000 1.048 302 K CA 0.606 56.894 56.287 0.002 0.000 0.940 302 K CB -0.102 32.404 32.500 0.010 0.000 0.729 302 K HN 0.161 nan 8.250 nan 0.000 0.451 303 L N 0.139 121.363 121.223 0.002 0.000 2.513 303 L HA 0.137 4.512 4.340 0.059 0.000 0.222 303 L C 1.741 178.610 176.870 -0.002 0.000 1.096 303 L CA 0.972 55.812 54.840 0.001 0.000 0.857 303 L CB -0.200 41.868 42.059 0.015 0.000 1.026 303 L HN 0.021 nan 8.230 nan 0.000 0.469 304 K N 0.732 121.132 120.400 0.000 0.000 2.015 304 K HA -0.187 4.169 4.320 0.059 0.000 0.216 304 K C -0.650 175.949 176.600 -0.002 0.000 1.052 304 K CA 2.219 58.507 56.287 0.001 0.000 0.937 304 K CB -1.014 31.487 32.500 0.003 0.000 0.719 304 K HN 0.228 nan 8.250 nan 0.000 0.446 305 P HA -0.191 nan 4.420 nan 0.000 0.216 305 P C 1.523 178.817 177.300 -0.010 0.000 1.150 305 P CA 1.079 64.175 63.100 -0.007 0.000 0.837 305 P CB -0.053 31.642 31.700 -0.009 0.000 0.786 306 L N 0.239 121.453 121.223 -0.016 0.000 2.156 306 L HA 0.108 4.483 4.340 0.059 0.000 0.208 306 L C 2.430 179.292 176.870 -0.013 0.000 1.095 306 L CA 2.049 56.875 54.840 -0.022 0.000 0.770 306 L CB -1.591 40.447 42.059 -0.035 0.000 0.914 306 L HN -0.060 nan 8.230 nan 0.000 0.439 307 G N -1.389 107.408 108.800 -0.006 0.000 2.464 307 G HA2 -0.158 3.838 3.960 0.059 0.000 0.217 307 G HA3 -0.158 3.838 3.960 0.059 0.000 0.217 307 G C 1.387 176.291 174.900 0.006 0.000 1.138 307 G CA 0.531 45.632 45.100 0.001 0.000 0.793 307 G HN 0.512 nan 8.290 nan 0.000 0.539 308 E N 0.533 120.736 120.200 0.004 0.000 2.112 308 E HA 0.087 4.473 4.350 0.059 0.000 0.190 308 E C 2.866 179.477 176.600 0.019 0.000 0.979 308 E CA 0.618 57.023 56.400 0.008 0.000 0.814 308 E CB -0.070 29.632 29.700 0.004 0.000 0.762 308 E HN 0.384 nan 8.360 nan 0.000 0.460 309 A N 1.727 124.558 122.820 0.018 0.000 1.873 309 A HA -0.215 4.140 4.320 0.059 0.000 0.215 309 A C 1.966 179.591 177.584 0.068 0.000 1.186 309 A CA 1.344 53.401 52.037 0.033 0.000 0.616 309 A CB -0.381 18.624 19.000 0.010 0.000 0.823 309 A HN 0.122 nan 8.150 nan 0.000 0.442 310 E N -0.748 119.478 120.200 0.044 0.000 2.051 310 E HA -0.216 4.170 4.350 0.059 0.000 0.192 310 E C 2.318 178.987 176.600 0.115 0.000 0.991 310 E CA 1.242 57.685 56.400 0.072 0.000 0.799 310 E CB -0.170 29.544 29.700 0.024 0.000 0.748 310 E HN 0.524 nan 8.360 nan 0.000 0.449 311 R N 0.970 121.506 120.500 0.061 0.000 2.096 311 R HA -0.184 4.192 4.340 0.059 0.000 0.235 311 R C 2.277 178.599 176.300 0.036 0.000 1.127 311 R CA 1.625 57.747 56.100 0.037 0.000 0.968 311 R CB 0.003 30.309 30.300 0.010 0.000 0.861 311 R HN 0.175 nan 8.270 nan 0.000 0.440 312 E N -0.664 119.567 120.200 0.052 0.000 2.047 312 E HA -0.224 4.161 4.350 0.059 0.000 0.191 312 E C 1.676 178.304 176.600 0.046 0.000 0.987 312 E CA 1.207 57.630 56.400 0.039 0.000 0.799 312 E CB -0.195 29.532 29.700 0.045 0.000 0.752 312 E HN 0.339 nan 8.360 nan 0.000 0.449 313 F N 1.191 121.121 119.950 -0.034 0.000 2.126 313 F HA -0.171 4.392 4.527 0.059 0.000 0.299 313 F C 1.971 177.741 175.800 -0.050 0.000 1.096 313 F CA 1.481 59.459 58.000 -0.036 0.000 1.255 313 F CB -0.058 38.927 39.000 -0.025 0.000 0.997 313 F HN 0.038 nan 8.300 nan 0.000 0.479 314 I N -0.556 120.065 120.570 0.085 0.000 2.315 314 I HA -0.262 3.943 4.170 0.059 0.000 0.248 314 I C 2.189 178.150 176.117 -0.259 0.000 1.117 314 I CA 0.659 61.932 61.300 -0.045 0.000 1.404 314 I CB -0.364 37.669 38.000 0.055 0.000 1.071 314 I HN 0.208 nan 8.210 nan 0.000 0.419 315 L N 0.724 121.849 121.223 -0.164 0.000 2.083 315 L HA -0.198 4.178 4.340 0.059 0.000 0.209 315 L C 2.789 179.537 176.870 -0.203 0.000 1.083 315 L CA 2.144 56.901 54.840 -0.138 0.000 0.752 315 L CB -0.628 41.411 42.059 -0.033 0.000 0.899 315 L HN 0.323 nan 8.230 nan 0.000 0.433 316 S N -1.778 113.769 115.700 -0.254 0.000 2.428 316 S HA -0.122 4.383 4.470 0.059 0.000 0.230 316 S C 2.002 176.390 174.600 -0.355 0.000 1.014 316 S CA 0.927 58.950 58.200 -0.294 0.000 0.957 316 S CB -0.647 62.374 63.200 -0.299 0.000 0.784 316 S HN 0.449 nan 8.310 nan 0.000 0.499 317 L N 0.859 121.830 121.223 -0.421 0.000 2.131 317 L HA 0.068 4.443 4.340 0.059 0.000 0.206 317 L C 2.876 179.584 176.870 -0.270 0.000 1.087 317 L CA 1.345 55.995 54.840 -0.317 0.000 0.767 317 L CB -0.350 41.572 42.059 -0.228 0.000 0.917 317 L HN 0.362 nan 8.230 nan 0.000 0.441 318 K N 0.868 120.939 120.400 -0.548 0.000 1.991 318 K HA -0.237 4.119 4.320 0.059 0.000 0.207 318 K C 2.224 178.662 176.600 -0.269 0.000 1.045 318 K CA 1.475 57.457 56.287 -0.507 0.000 0.937 318 K CB 0.004 32.123 32.500 -0.635 0.000 0.720 318 K HN 0.007 nan 8.250 nan 0.000 0.438 319 K N 1.297 121.381 120.400 -0.528 0.000 2.044 319 K HA -0.255 4.100 4.320 0.059 0.000 0.210 319 K C 2.206 178.519 176.600 -0.479 0.000 1.049 319 K CA 2.042 57.692 56.287 -1.062 0.000 0.927 319 K CB -0.133 31.619 32.500 -1.247 0.000 0.713 319 K HN 0.087 nan 8.250 nan 0.000 0.443 320 K N 0.812 121.027 120.400 -0.307 0.000 2.002 320 K HA -0.235 4.121 4.320 0.059 0.000 0.209 320 K C 2.093 178.653 176.600 -0.066 0.000 1.048 320 K CA 2.021 58.208 56.287 -0.167 0.000 0.930 320 K CB -0.140 32.274 32.500 -0.144 0.000 0.714 320 K HN 0.271 nan 8.250 nan 0.000 0.438 321 E N -0.057 120.139 120.200 -0.006 0.000 2.153 321 E HA -0.181 4.205 4.350 0.059 0.000 0.194 321 E C 1.779 178.470 176.600 0.151 0.000 0.988 321 E CA 1.241 57.704 56.400 0.105 0.000 0.811 321 E CB -0.021 29.811 29.700 0.218 0.000 0.746 321 E HN 0.441 nan 8.360 nan 0.000 0.466 322 C N 0.886 120.255 119.300 0.116 0.000 2.432 322 C HA -0.032 4.463 4.460 0.059 0.000 0.282 322 C C 2.095 177.173 174.990 0.146 0.000 1.388 322 C CA 0.603 59.741 59.018 0.200 0.000 1.777 322 C CB -0.801 27.047 27.740 0.179 0.000 1.882 322 C HN 0.479 nan 8.230 nan 0.000 0.520 323 E N 0.347 120.577 120.200 0.050 0.000 2.216 323 E HA -0.072 4.313 4.350 0.059 0.000 0.192 323 E C 1.713 178.335 176.600 0.036 0.000 0.973 323 E CA 0.500 56.914 56.400 0.024 0.000 0.851 323 E CB -0.095 29.588 29.700 -0.028 0.000 0.804 323 E HN 0.672 nan 8.360 nan 0.000 0.477 324 E N 0.601 120.834 120.200 0.054 0.000 2.511 324 E HA 0.001 4.387 4.350 0.059 0.000 0.196 324 E C 1.044 177.690 176.600 0.076 0.000 1.066 324 E CA 0.315 56.748 56.400 0.054 0.000 0.871 324 E CB 0.242 29.975 29.700 0.055 0.000 0.863 324 E HN 0.118 nan 8.360 nan 0.000 0.520 325 R N -1.090 119.476 120.500 0.110 0.000 2.526 325 R HA 0.135 4.511 4.340 0.059 0.000 0.346 325 R C 0.677 176.919 176.300 -0.096 0.000 0.926 325 R CA 0.293 56.433 56.100 0.067 0.000 1.147 325 R CB 1.179 31.680 30.300 0.335 0.000 1.629 325 R HN 0.102 nan 8.270 nan 0.000 0.516 326 G N 1.778 110.583 108.800 0.007 0.000 2.366 326 G HA2 -0.294 3.701 3.960 0.059 0.000 0.299 326 G HA3 -0.294 3.701 3.960 0.059 0.000 0.299 326 G C 0.229 175.090 174.900 -0.066 0.000 1.020 326 G CA 0.359 45.444 45.100 -0.025 0.000 1.026 326 G HN 0.323 nan 8.290 nan 0.000 0.512 327 F N -0.071 119.912 119.950 0.055 0.000 2.335 327 F HA 0.316 4.878 4.527 0.059 0.000 0.296 327 F C 1.363 177.211 175.800 0.078 0.000 1.091 327 F CA 1.360 59.398 58.000 0.064 0.000 1.399 327 F CB 0.422 39.468 39.000 0.078 0.000 1.067 327 F HN 0.627 nan 8.300 nan 0.000 0.520 328 E N -1.425 118.940 120.200 0.276 0.000 6.541 328 E HA -0.186 4.199 4.350 0.059 0.000 0.539 328 E C -1.838 174.933 176.600 0.285 0.000 0.843 328 E CA -0.331 56.200 56.400 0.218 0.000 2.790 328 E CB -0.784 29.017 29.700 0.167 0.000 0.829 328 E HN 0.022 nan 8.360 nan 0.000 0.262 329 Y N 3.914 124.263 120.300 0.081 0.000 2.393 329 Y HA 0.428 5.013 4.550 0.059 0.000 0.341 329 Y C 0.158 176.083 175.900 0.043 0.000 0.988 329 Y CA -0.270 57.863 58.100 0.056 0.000 1.078 329 Y CB 1.388 39.865 38.460 0.028 0.000 1.203 329 Y HN 0.548 nan 8.280 nan 0.000 0.453 330 D N 1.885 122.062 120.400 -0.372 0.000 2.431 330 D HA 0.174 4.850 4.640 0.059 0.000 0.213 330 D C 1.446 177.372 176.300 -0.623 0.000 1.130 330 D CA 0.354 54.143 54.000 -0.352 0.000 0.834 330 D CB -0.028 40.692 40.800 -0.133 0.000 0.985 330 D HN 0.917 nan 8.370 nan 0.000 0.504 331 G N 1.167 109.068 108.800 -1.498 0.000 2.187 331 G HA2 -0.342 3.654 3.960 0.059 0.000 0.261 331 G HA3 -0.342 3.654 3.960 0.059 0.000 0.261 331 G C 0.103 174.717 174.900 -0.477 0.000 1.000 331 G CA 0.971 45.384 45.100 -1.144 0.000 0.718 331 G HN 0.779 nan 8.290 nan 0.000 0.519 332 K N -1.176 118.988 120.400 -0.392 0.000 2.509 332 K HA 0.765 5.121 4.320 0.059 0.000 0.266 332 K C -0.604 175.888 176.600 -0.179 0.000 0.987 332 K CA -1.484 54.676 56.287 -0.211 0.000 0.868 332 K CB 1.679 34.071 32.500 -0.181 0.000 1.421 332 K HN 0.055 nan 8.250 nan 0.000 0.444 333 I N 2.889 123.366 120.570 -0.156 0.000 2.287 333 I HA 0.141 4.347 4.170 0.059 0.000 0.290 333 I C -0.270 175.697 176.117 -0.250 0.000 1.069 333 I CA -0.812 60.392 61.300 -0.160 0.000 1.237 333 I CB 0.363 38.304 38.000 -0.099 0.000 1.418 333 I HN 0.495 nan 8.210 nan 0.000 0.481 334 N N 4.135 122.575 118.700 -0.434 0.000 2.381 334 N HA 0.209 4.985 4.740 0.059 0.000 0.254 334 N C 1.132 176.264 175.510 -0.631 0.000 1.264 334 N CA -0.155 52.431 53.050 -0.774 0.000 0.942 334 N CB 1.115 38.587 38.487 -1.692 0.000 1.190 334 N HN 0.608 nan 8.380 nan 0.000 0.495 335 A N 0.721 123.227 122.820 -0.523 0.000 1.908 335 A HA -0.172 4.183 4.320 0.059 0.000 0.218 335 A C 1.477 179.062 177.584 0.002 0.000 1.181 335 A CA 1.527 53.500 52.037 -0.106 0.000 0.627 335 A CB -0.966 18.122 19.000 0.146 0.000 0.818 335 A HN 0.890 nan 8.150 nan 0.000 0.445 336 W N -0.462 120.907 121.300 0.115 0.000 3.310 336 W HA 0.304 4.999 4.660 0.059 0.000 0.259 336 W C -0.119 176.427 176.519 0.045 0.000 1.324 336 W CA 0.354 57.735 57.345 0.060 0.000 1.636 336 W CB -0.157 29.315 29.460 0.020 0.000 1.104 336 W HN 0.178 nan 8.180 nan 0.000 0.722 337 D N -0.189 120.172 120.400 -0.066 0.000 2.473 337 D HA -0.050 4.626 4.640 0.059 0.000 0.230 337 D C 1.963 178.398 176.300 0.223 0.000 1.097 337 D CA 0.025 54.099 54.000 0.123 0.000 0.861 337 D CB -0.297 40.561 40.800 0.098 0.000 1.114 337 D HN 0.137 nan 8.370 nan 0.000 0.500 338 L N 1.402 122.684 121.223 0.099 0.000 1.970 338 L HA -0.182 4.194 4.340 0.059 0.000 0.212 338 L C 2.005 178.900 176.870 0.042 0.000 1.071 338 L CA 2.179 57.054 54.840 0.059 0.000 0.751 338 L CB -0.861 41.176 42.059 -0.036 0.000 0.889 338 L HN 0.037 nan 8.230 nan 0.000 0.432 339 H N -2.725 116.397 119.070 0.087 0.000 2.319 339 H HA -0.225 4.366 4.556 0.059 0.000 0.299 339 H C 1.905 177.253 175.328 0.035 0.000 1.092 339 H CA 2.429 58.513 56.048 0.061 0.000 1.302 339 H CB -0.378 29.401 29.762 0.028 0.000 1.373 339 H HN 0.438 nan 8.280 nan 0.000 0.497 340 Y N 0.394 120.688 120.300 -0.010 0.000 2.030 340 Y HA -0.384 4.202 4.550 0.059 0.000 0.274 340 Y C 1.853 177.591 175.900 -0.271 0.000 1.153 340 Y CA 1.799 59.772 58.100 -0.213 0.000 1.115 340 Y CB -0.841 37.388 38.460 -0.385 0.000 0.969 340 Y HN 0.210 nan 8.280 nan 0.000 0.488 341 Y N -0.789 119.520 120.300 0.015 0.000 2.421 341 Y HA -0.210 4.375 4.550 0.059 0.000 0.292 341 Y C 2.536 178.418 175.900 -0.030 0.000 1.136 341 Y CA 1.362 59.421 58.100 -0.067 0.000 1.255 341 Y CB -0.568 37.911 38.460 0.032 0.000 0.991 341 Y HN 0.213 nan 8.280 nan 0.000 0.552 342 M N -1.288 118.366 119.600 0.089 0.000 2.254 342 M HA -0.168 4.347 4.480 0.059 0.000 0.265 342 M C 1.852 178.169 176.300 0.028 0.000 1.066 342 M CA 1.576 56.916 55.300 0.067 0.000 1.123 342 M CB -0.345 32.272 32.600 0.028 0.000 1.388 342 M HN 0.135 nan 8.290 nan 0.000 0.425 343 T N 0.071 114.605 114.554 -0.034 0.000 2.812 343 T HA -0.096 4.289 4.350 0.059 0.000 0.264 343 T C 1.854 176.501 174.700 -0.087 0.000 1.042 343 T CA 0.881 62.946 62.100 -0.058 0.000 1.140 343 T CB -0.140 68.668 68.868 -0.100 0.000 0.870 343 T HN 0.384 nan 8.240 nan 0.000 0.445 344 Q N 0.951 120.643 119.800 -0.180 0.000 2.096 344 Q HA -0.101 4.274 4.340 0.059 0.000 0.204 344 Q C 2.520 178.544 176.000 0.039 0.000 0.982 344 Q CA 1.453 57.178 55.803 -0.130 0.000 0.850 344 Q CB -1.043 27.593 28.738 -0.169 0.000 0.901 344 Q HN 0.471 nan 8.270 nan 0.000 0.422 345 T N 1.932 116.553 114.554 0.112 0.000 2.684 345 T HA -0.162 4.224 4.350 0.059 0.000 0.267 345 T C 1.694 176.445 174.700 0.086 0.000 1.036 345 T CA 1.597 63.800 62.100 0.171 0.000 1.148 345 T CB -0.160 68.798 68.868 0.150 0.000 0.863 345 T HN 0.415 nan 8.240 nan 0.000 0.436 346 E N 0.990 121.234 120.200 0.073 0.000 2.110 346 E HA -0.154 4.231 4.350 0.059 0.000 0.193 346 E C 2.200 178.856 176.600 0.094 0.000 0.988 346 E CA 1.013 57.472 56.400 0.099 0.000 0.804 346 E CB -0.156 29.591 29.700 0.078 0.000 0.745 346 E HN 0.611 nan 8.360 nan 0.000 0.458 347 E N 0.022 120.254 120.200 0.053 0.000 2.347 347 E HA -0.113 4.273 4.350 0.059 0.000 0.196 347 E C 1.495 178.116 176.600 0.036 0.000 1.008 347 E CA 0.413 56.836 56.400 0.039 0.000 0.852 347 E CB 0.229 29.933 29.700 0.007 0.000 0.783 347 E HN 0.113 nan 8.360 nan 0.000 0.505 348 L N 0.303 121.553 121.223 0.044 0.000 2.388 348 L HA 0.001 4.377 4.340 0.059 0.000 0.209 348 L C 1.958 178.797 176.870 -0.052 0.000 1.061 348 L CA 1.015 55.875 54.840 0.033 0.000 0.834 348 L CB -0.092 42.038 42.059 0.118 0.000 1.029 348 L HN -0.151 nan 8.230 nan 0.000 0.473 349 K N -0.226 120.108 120.400 -0.110 0.000 2.007 349 K HA 0.030 4.385 4.320 0.059 0.000 0.206 349 K C -0.272 175.937 176.600 -0.651 0.000 1.047 349 K CA 1.210 57.246 56.287 -0.418 0.000 0.937 349 K CB -0.056 32.220 32.500 -0.373 0.000 0.718 349 K HN 0.183 nan 8.250 nan 0.000 0.438 350 Y N -0.194 120.093 120.300 -0.022 0.000 2.475 350 Y HA 0.199 4.784 4.550 0.059 0.000 0.343 350 Y C -0.280 175.622 175.900 0.002 0.000 1.068 350 Y CA -0.845 57.248 58.100 -0.012 0.000 1.307 350 Y CB 1.408 39.860 38.460 -0.013 0.000 1.097 350 Y HN -0.192 nan 8.280 nan 0.000 0.530 351 S N 2.866 118.629 115.700 0.105 0.000 2.962 351 S HA 0.251 4.756 4.470 0.059 0.000 0.320 351 S C -0.240 174.411 174.600 0.085 0.000 1.186 351 S CA -0.298 57.950 58.200 0.079 0.000 1.180 351 S CB -0.778 62.450 63.200 0.046 0.000 1.491 351 S HN 0.386 nan 8.310 nan 0.000 0.556 352 V N 5.527 125.498 119.914 0.095 0.000 2.318 352 V HA 0.207 4.363 4.120 0.059 0.000 0.271 352 V C 0.280 176.416 176.094 0.071 0.000 1.030 352 V CA -0.967 61.378 62.300 0.075 0.000 0.844 352 V CB 1.145 33.009 31.823 0.069 0.000 1.015 352 V HN 0.680 nan 8.190 nan 0.000 0.460 353 D N 4.595 125.037 120.400 0.069 0.000 2.383 353 D HA 0.076 4.751 4.640 0.059 0.000 0.245 353 D C 1.310 177.663 176.300 0.088 0.000 1.263 353 D CA 0.035 54.080 54.000 0.075 0.000 0.936 353 D CB 1.041 41.888 40.800 0.078 0.000 1.053 353 D HN 0.438 nan 8.370 nan 0.000 0.507 354 Q N 2.474 122.326 119.800 0.088 0.000 2.096 354 Q HA -0.155 4.221 4.340 0.059 0.000 0.204 354 Q C 1.195 177.260 176.000 0.109 0.000 0.982 354 Q CA 1.093 56.959 55.803 0.105 0.000 0.850 354 Q CB 0.080 28.877 28.738 0.099 0.000 0.901 354 Q HN 0.607 nan 8.270 nan 0.000 0.422 355 E N 0.085 120.340 120.200 0.092 0.000 2.333 355 E HA -0.078 4.307 4.350 0.059 0.000 0.198 355 E C 1.804 178.464 176.600 0.101 0.000 1.007 355 E CA 0.591 57.042 56.400 0.086 0.000 0.845 355 E CB -0.055 29.688 29.700 0.072 0.000 0.766 355 E HN 0.192 nan 8.360 nan 0.000 0.507 356 S N -0.006 115.767 115.700 0.122 0.000 2.412 356 S HA -0.025 4.480 4.470 0.059 0.000 0.223 356 S C 1.822 176.551 174.600 0.216 0.000 1.048 356 S CA 0.069 58.367 58.200 0.163 0.000 0.954 356 S CB -0.056 63.242 63.200 0.162 0.000 0.840 356 S HN 0.162 nan 8.310 nan 0.000 0.503 357 L N 3.164 124.497 121.223 0.184 0.000 2.013 357 L HA -0.118 4.258 4.340 0.059 0.000 0.212 357 L C 2.253 179.226 176.870 0.171 0.000 1.073 357 L CA 2.634 57.577 54.840 0.172 0.000 0.753 357 L CB -0.956 41.175 42.059 0.120 0.000 0.890 357 L HN 0.527 nan 8.230 nan 0.000 0.432 358 K N -0.844 119.672 120.400 0.194 0.000 2.173 358 K HA -0.230 4.126 4.320 0.059 0.000 0.207 358 K C 1.633 178.278 176.600 0.074 0.000 1.046 358 K CA 2.006 58.418 56.287 0.208 0.000 0.929 358 K CB -0.769 31.809 32.500 0.130 0.000 0.720 358 K HN 0.495 nan 8.250 nan 0.000 0.453 359 E N 0.074 120.272 120.200 -0.002 0.000 2.267 359 E HA -0.181 4.205 4.350 0.059 0.000 0.197 359 E C 1.096 177.476 176.600 -0.367 0.000 0.998 359 E CA 1.081 57.372 56.400 -0.181 0.000 0.830 359 E CB -0.202 29.387 29.700 -0.186 0.000 0.751 359 E HN 0.537 nan 8.360 nan 0.000 0.491 360 Y N -0.974 119.132 120.300 -0.323 0.000 2.490 360 Y HA 0.078 4.664 4.550 0.059 0.000 0.281 360 Y C 0.467 176.081 175.900 -0.477 0.000 1.174 360 Y CA 0.263 58.090 58.100 -0.455 0.000 1.295 360 Y CB 0.294 38.393 38.460 -0.601 0.000 1.062 360 Y HN -0.078 nan 8.280 nan 0.000 0.522 361 F N 0.928 120.924 119.950 0.077 0.000 2.532 361 F HA 0.369 4.931 4.527 0.059 0.000 0.313 361 F C -2.495 173.309 175.800 0.006 0.000 1.301 361 F CA -2.645 55.380 58.000 0.041 0.000 1.154 361 F CB 0.431 39.443 39.000 0.018 0.000 1.335 361 F HN -0.174 nan 8.300 nan 0.000 0.542 362 P HA 0.043 nan 4.420 nan 0.000 0.268 362 P C 1.272 178.656 177.300 0.141 0.000 1.204 362 P CA 0.229 63.395 63.100 0.110 0.000 0.768 362 P CB 1.209 32.972 31.700 0.105 0.000 0.842 363 I N 2.522 123.168 120.570 0.126 0.000 2.248 363 I HA -0.310 3.896 4.170 0.059 0.000 0.248 363 I C 1.924 178.144 176.117 0.171 0.000 1.107 363 I CA 1.711 63.101 61.300 0.150 0.000 1.373 363 I CB 0.049 38.157 38.000 0.180 0.000 1.055 363 I HN 0.484 nan 8.210 nan 0.000 0.418 364 E N -0.266 120.026 120.200 0.153 0.000 2.058 364 E HA -0.225 4.161 4.350 0.059 0.000 0.194 364 E C 2.194 178.871 176.600 0.128 0.000 0.997 364 E CA 1.920 58.405 56.400 0.141 0.000 0.801 364 E CB 0.032 29.804 29.700 0.121 0.000 0.746 364 E HN 0.396 nan 8.360 nan 0.000 0.450 365 V N 0.468 120.461 119.914 0.131 0.000 2.427 365 V HA -0.204 3.951 4.120 0.059 0.000 0.248 365 V C 2.285 178.459 176.094 0.134 0.000 1.051 365 V CA 1.125 63.503 62.300 0.130 0.000 1.048 365 V CB -0.216 31.693 31.823 0.143 0.000 0.666 365 V HN 0.144 nan 8.190 nan 0.000 0.456 366 V N -0.210 119.796 119.914 0.153 0.000 2.307 366 V HA -0.244 3.911 4.120 0.059 0.000 0.245 366 V C 2.572 178.665 176.094 -0.002 0.000 1.045 366 V CA 2.555 64.924 62.300 0.116 0.000 1.024 366 V CB -1.005 30.895 31.823 0.128 0.000 0.651 366 V HN 0.577 nan 8.190 nan 0.000 0.449 367 T N -0.385 114.209 114.554 0.067 0.000 2.652 367 T HA -0.235 4.151 4.350 0.059 0.000 0.267 367 T C 1.979 176.612 174.700 -0.112 0.000 1.039 367 T CA 1.800 63.876 62.100 -0.040 0.000 1.153 367 T CB -0.305 68.650 68.868 0.145 0.000 0.863 367 T HN 0.518 nan 8.240 nan 0.000 0.428 368 E N 1.020 121.223 120.200 0.005 0.000 2.085 368 E HA -0.127 4.259 4.350 0.059 0.000 0.194 368 E C 2.466 179.064 176.600 -0.003 0.000 0.994 368 E CA 1.593 58.007 56.400 0.024 0.000 0.801 368 E CB -0.692 29.049 29.700 0.069 0.000 0.743 368 E HN 0.515 nan 8.360 nan 0.000 0.453 369 G N 1.887 110.693 108.800 0.011 0.000 2.433 369 G HA2 -0.264 3.731 3.960 0.059 0.000 0.216 369 G HA3 -0.264 3.731 3.960 0.059 0.000 0.216 369 G C 1.647 176.534 174.900 -0.021 0.000 1.186 369 G CA 1.048 46.172 45.100 0.040 0.000 0.779 369 G HN 0.356 nan 8.290 nan 0.000 0.543 370 L N 0.722 121.828 121.223 -0.195 0.000 1.990 370 L HA -0.062 4.313 4.340 0.059 0.000 0.213 370 L C 2.721 179.329 176.870 -0.437 0.000 1.072 370 L CA 1.669 56.191 54.840 -0.530 0.000 0.755 370 L CB -0.634 40.737 42.059 -1.147 0.000 0.889 370 L HN 0.240 nan 8.230 nan 0.000 0.432 371 L N -1.196 119.780 121.223 -0.411 0.000 2.083 371 L HA -0.184 4.191 4.340 0.059 0.000 0.209 371 L C 2.714 179.639 176.870 0.092 0.000 1.083 371 L CA 1.443 56.218 54.840 -0.109 0.000 0.752 371 L CB -0.860 41.196 42.059 -0.006 0.000 0.899 371 L HN 0.420 nan 8.230 nan 0.000 0.433 372 S N 0.333 116.055 115.700 0.036 0.000 2.356 372 S HA -0.152 4.353 4.470 0.059 0.000 0.223 372 S C 1.996 176.628 174.600 0.053 0.000 1.032 372 S CA 1.118 59.346 58.200 0.046 0.000 1.005 372 S CB -0.183 63.049 63.200 0.053 0.000 0.867 372 S HN 0.264 nan 8.310 nan 0.000 0.449 373 I N -0.003 120.611 120.570 0.074 0.000 2.127 373 I HA -0.216 3.990 4.170 0.059 0.000 0.241 373 I C 2.069 178.189 176.117 0.005 0.000 1.075 373 I CA 1.682 63.019 61.300 0.062 0.000 1.334 373 I CB -0.467 37.590 38.000 0.094 0.000 1.040 373 I HN 0.352 nan 8.210 nan 0.000 0.405 374 Y N 0.857 121.110 120.300 -0.079 0.000 2.224 374 Y HA -0.247 4.338 4.550 0.059 0.000 0.289 374 Y C 2.725 178.589 175.900 -0.061 0.000 1.146 374 Y CA 1.339 59.435 58.100 -0.007 0.000 1.182 374 Y CB -0.465 38.155 38.460 0.267 0.000 0.983 374 Y HN 0.215 nan 8.280 nan 0.000 0.524 375 Q N -0.200 119.574 119.800 -0.043 0.000 2.050 375 Q HA -0.259 4.117 4.340 0.059 0.000 0.202 375 Q C 2.233 178.172 176.000 -0.102 0.000 0.980 375 Q CA 1.845 57.479 55.803 -0.282 0.000 0.840 375 Q CB -0.201 28.341 28.738 -0.326 0.000 0.898 375 Q HN 0.560 nan 8.270 nan 0.000 0.424 376 E N 0.378 120.559 120.200 -0.033 0.000 2.072 376 E HA -0.206 4.179 4.350 0.059 0.000 0.191 376 E C 1.980 178.601 176.600 0.035 0.000 0.985 376 E CA 0.672 57.078 56.400 0.009 0.000 0.801 376 E CB 0.019 29.741 29.700 0.037 0.000 0.750 376 E HN 0.180 nan 8.360 nan 0.000 0.452 377 L N 0.571 121.810 121.223 0.026 0.000 2.056 377 L HA -0.087 4.289 4.340 0.059 0.000 0.207 377 L C 1.832 178.758 176.870 0.094 0.000 1.078 377 L CA 1.594 56.469 54.840 0.059 0.000 0.749 377 L CB -0.051 41.962 42.059 -0.078 0.000 0.901 377 L HN 0.200 nan 8.230 nan 0.000 0.433 378 L N -0.672 120.591 121.223 0.068 0.000 2.667 378 L HA 0.349 4.724 4.340 0.059 0.000 0.232 378 L C 1.116 178.027 176.870 0.068 0.000 1.138 378 L CA 0.290 55.193 54.840 0.105 0.000 0.921 378 L CB -0.618 41.527 42.059 0.143 0.000 1.180 378 L HN 0.428 nan 8.230 nan 0.000 0.487 379 G N 1.536 110.358 108.800 0.036 0.000 2.314 379 G HA2 -0.261 3.734 3.960 0.059 0.000 0.292 379 G HA3 -0.261 3.734 3.960 0.059 0.000 0.292 379 G C -0.234 174.662 174.900 -0.007 0.000 1.059 379 G CA 0.244 45.356 45.100 0.019 0.000 0.982 379 G HN 0.278 nan 8.290 nan 0.000 0.505 380 L N -0.835 120.342 121.223 -0.076 0.000 2.309 380 L HA 0.873 5.248 4.340 0.059 0.000 0.261 380 L C 0.265 176.969 176.870 -0.276 0.000 1.021 380 L CA -1.087 53.671 54.840 -0.136 0.000 0.823 380 L CB 2.400 44.380 42.059 -0.132 0.000 1.366 380 L HN 0.198 nan 8.230 nan 0.000 0.423 381 S N 0.369 115.948 115.700 -0.200 0.000 2.561 381 S HA 0.711 5.216 4.470 0.059 0.000 0.303 381 S C -1.336 173.278 174.600 0.023 0.000 1.110 381 S CA -0.458 57.652 58.200 -0.150 0.000 1.034 381 S CB 0.546 63.739 63.200 -0.012 0.000 1.010 381 S HN 0.277 nan 8.310 nan 0.000 0.482 382 F N 2.918 122.951 119.950 0.138 0.000 2.427 382 F HA 0.550 5.113 4.527 0.059 0.000 0.346 382 F C 0.475 176.386 175.800 0.185 0.000 1.120 382 F CA -1.298 56.810 58.000 0.179 0.000 1.033 382 F CB 1.451 40.582 39.000 0.219 0.000 1.126 382 F HN 0.628 nan 8.300 nan 0.000 0.462 383 E N 3.034 123.433 120.200 0.332 0.000 2.241 383 E HA 0.229 4.614 4.350 0.059 0.000 0.263 383 E C -1.087 175.471 176.600 -0.071 0.000 0.882 383 E CA -0.757 55.727 56.400 0.140 0.000 0.769 383 E CB 1.558 31.298 29.700 0.067 0.000 1.185 383 E HN 0.724 nan 8.360 nan 0.000 0.415 384 Q N 3.085 122.707 119.800 -0.297 0.000 2.337 384 Q HA 0.159 4.535 4.340 0.059 0.000 0.270 384 Q C -0.926 174.845 176.000 -0.382 0.000 1.002 384 Q CA -0.367 55.004 55.803 -0.719 0.000 0.888 384 Q CB 1.013 29.281 28.738 -0.782 0.000 1.222 384 Q HN 0.400 nan 8.270 nan 0.000 0.400 385 V N 8.140 127.824 119.914 -0.384 0.000 2.427 385 V HA 0.064 4.219 4.120 0.059 0.000 0.268 385 V C -1.549 174.434 176.094 -0.184 0.000 1.046 385 V CA -1.154 61.011 62.300 -0.226 0.000 0.970 385 V CB 0.680 32.381 31.823 -0.204 0.000 1.001 385 V HN 0.922 nan 8.190 nan 0.000 0.476 386 P HA -0.144 nan 4.420 nan 0.000 0.206 386 P C 0.137 177.397 177.300 -0.067 0.000 1.142 386 P CA 1.249 64.296 63.100 -0.088 0.000 0.946 386 P CB 0.143 31.808 31.700 -0.058 0.000 0.777 387 D N -1.042 119.333 120.400 -0.042 0.000 2.772 387 D HA 0.419 5.095 4.640 0.059 0.000 0.273 387 D C -0.446 175.856 176.300 0.003 0.000 1.233 387 D CA -0.163 53.826 54.000 -0.018 0.000 0.984 387 D CB -0.472 40.325 40.800 -0.005 0.000 1.000 387 D HN 0.112 nan 8.370 nan 0.000 0.514 388 A N 1.193 124.006 122.820 -0.012 0.000 2.388 388 A HA 0.145 4.500 4.320 0.059 0.000 0.257 388 A C 0.155 177.805 177.584 0.109 0.000 1.095 388 A CA -0.382 51.672 52.037 0.029 0.000 0.791 388 A CB 0.215 19.192 19.000 -0.039 0.000 1.029 388 A HN 0.582 nan 8.150 nan 0.000 0.489 389 H N 2.308 121.438 119.070 0.100 0.000 2.878 389 H HA 0.429 5.020 4.556 0.059 0.000 0.290 389 H C -0.323 175.170 175.328 0.275 0.000 1.065 389 H CA 0.468 56.611 56.048 0.159 0.000 1.477 389 H CB 0.423 30.283 29.762 0.163 0.000 1.484 389 H HN 0.575 nan 8.280 nan 0.000 0.504 390 V N 2.906 122.691 119.914 -0.214 0.000 3.156 390 V HA 0.292 4.447 4.120 0.059 0.000 0.311 390 V C 0.042 175.948 176.094 -0.313 0.000 1.208 390 V CA -0.864 61.224 62.300 -0.354 0.000 1.063 390 V CB 1.236 32.772 31.823 -0.478 0.000 1.098 390 V HN 0.918 nan 8.190 nan 0.000 0.452 391 W N -0.185 120.953 121.300 -0.270 0.000 3.278 391 W HA 0.549 5.245 4.660 0.060 0.000 0.308 391 W C 0.336 176.770 176.519 -0.142 0.000 1.253 391 W CA 0.012 57.232 57.345 -0.207 0.000 1.759 391 W CB -0.022 29.225 29.460 -0.355 0.000 1.093 391 W HN 0.744 nan 8.180 nan 0.000 0.648 392 N N 1.550 120.066 118.700 -0.307 0.000 2.635 392 N HA -0.028 4.748 4.740 0.059 0.000 0.260 392 N C 0.881 176.277 175.510 -0.189 0.000 1.078 392 N CA -0.117 52.842 53.050 -0.150 0.000 1.012 392 N CB 1.314 39.779 38.487 -0.036 0.000 1.677 392 N HN 0.150 nan 8.380 nan 0.000 0.514 393 K N 0.467 120.813 120.400 -0.090 0.000 2.362 393 K HA -0.118 4.237 4.320 0.059 0.000 0.202 393 K C 1.135 177.702 176.600 -0.056 0.000 1.045 393 K CA 1.841 58.087 56.287 -0.068 0.000 0.936 393 K CB 0.033 32.515 32.500 -0.031 0.000 0.747 393 K HN 0.257 nan 8.250 nan 0.000 0.467 394 S N 0.514 116.189 115.700 -0.041 0.000 2.527 394 S HA 0.060 4.566 4.470 0.059 0.000 0.222 394 S C 0.444 175.043 174.600 -0.002 0.000 0.985 394 S CA -0.383 57.834 58.200 0.029 0.000 0.921 394 S CB 0.013 63.278 63.200 0.110 0.000 0.772 394 S HN 0.184 nan 8.310 nan 0.000 0.529 395 V N 3.011 122.839 119.914 -0.143 0.000 2.546 395 V HA 0.483 4.638 4.120 0.059 0.000 0.284 395 V C 0.264 176.280 176.094 -0.130 0.000 1.050 395 V CA -0.418 61.758 62.300 -0.208 0.000 0.981 395 V CB 1.279 32.720 31.823 -0.636 0.000 0.990 395 V HN 0.523 nan 8.190 nan 0.000 0.474 396 S N 5.047 120.731 115.700 -0.026 0.000 2.532 396 S HA 0.830 5.336 4.470 0.059 0.000 0.301 396 S C -1.007 173.570 174.600 -0.038 0.000 1.083 396 S CA -0.771 57.409 58.200 -0.034 0.000 1.025 396 S CB 1.932 65.163 63.200 0.050 0.000 1.056 396 S HN 0.602 nan 8.310 nan 0.000 0.494 397 L N 2.261 123.345 121.223 -0.231 0.000 2.346 397 L HA 0.712 5.087 4.340 0.059 0.000 0.276 397 L C -2.016 174.545 176.870 -0.515 0.000 1.006 397 L CA -0.561 54.048 54.840 -0.386 0.000 0.817 397 L CB 1.148 42.935 42.059 -0.454 0.000 1.272 397 L HN 0.824 nan 8.230 nan 0.000 0.421 398 Y N 1.993 121.874 120.300 -0.700 0.000 2.446 398 Y HA 0.607 5.193 4.550 0.059 0.000 0.345 398 Y C 0.192 175.723 175.900 -0.614 0.000 0.984 398 Y CA -0.654 57.001 58.100 -0.742 0.000 1.058 398 Y CB 2.435 40.119 38.460 -1.292 0.000 1.220 398 Y HN 0.516 nan 8.280 nan 0.000 0.455 399 T N 3.148 117.596 114.554 -0.177 0.000 2.795 399 T HA 0.507 4.892 4.350 0.059 0.000 0.282 399 T C -0.808 173.937 174.700 0.076 0.000 0.980 399 T CA -0.570 61.484 62.100 -0.076 0.000 1.012 399 T CB 0.686 69.525 68.868 -0.048 0.000 0.936 399 T HN 0.295 nan 8.240 nan 0.000 0.457 400 V N 5.275 125.262 119.914 0.122 0.000 2.347 400 V HA 0.424 4.579 4.120 0.059 0.000 0.280 400 V C 0.089 176.290 176.094 0.177 0.000 1.021 400 V CA -0.718 61.758 62.300 0.294 0.000 0.847 400 V CB 1.108 33.155 31.823 0.373 0.000 0.990 400 V HN 0.738 nan 8.190 nan 0.000 0.444 401 K N 2.705 123.199 120.400 0.158 0.000 2.208 401 K HA 0.431 4.786 4.320 0.059 0.000 0.247 401 K C -0.596 176.046 176.600 0.070 0.000 0.953 401 K CA -0.839 55.500 56.287 0.086 0.000 0.837 401 K CB 2.093 34.636 32.500 0.073 0.000 1.131 401 K HN 0.709 nan 8.250 nan 0.000 0.431 402 D N 2.106 122.538 120.400 0.054 0.000 2.312 402 D HA 0.036 4.711 4.640 0.059 0.000 0.252 402 D C 0.383 176.712 176.300 0.047 0.000 1.150 402 D CA 0.114 54.143 54.000 0.048 0.000 0.870 402 D CB 1.048 41.878 40.800 0.049 0.000 1.153 402 D HN 0.409 nan 8.370 nan 0.000 0.457 403 K N 2.567 122.984 120.400 0.028 0.000 2.034 403 K HA -0.240 4.115 4.320 0.059 0.000 0.214 403 K C 1.868 178.493 176.600 0.040 0.000 1.051 403 K CA 1.889 58.190 56.287 0.024 0.000 0.931 403 K CB -0.060 32.446 32.500 0.009 0.000 0.715 403 K HN 0.559 nan 8.250 nan 0.000 0.446 404 A N 0.615 123.462 122.820 0.045 0.000 1.858 404 A HA -0.162 4.193 4.320 0.059 0.000 0.216 404 A C 2.209 179.833 177.584 0.067 0.000 1.190 404 A CA 2.408 54.474 52.037 0.049 0.000 0.617 404 A CB -0.916 18.112 19.000 0.047 0.000 0.827 404 A HN 0.532 nan 8.150 nan 0.000 0.443 405 T N -5.041 109.570 114.554 0.095 0.000 3.044 405 T HA 0.412 4.797 4.350 0.059 0.000 0.250 405 T C 1.482 176.318 174.700 0.227 0.000 1.081 405 T CA 1.097 63.290 62.100 0.154 0.000 1.040 405 T CB 0.314 69.306 68.868 0.207 0.000 0.962 405 T HN 1.777 nan 8.240 nan 0.000 0.506 406 G N 1.526 110.428 108.800 0.170 0.000 2.205 406 G HA2 -0.306 3.689 3.960 0.059 0.000 0.261 406 G HA3 -0.306 3.689 3.960 0.059 0.000 0.261 406 G C -0.092 174.924 174.900 0.194 0.000 0.980 406 G CA 0.283 45.497 45.100 0.191 0.000 0.632 406 G HN 0.887 nan 8.290 nan 0.000 0.533 407 E N 0.589 120.858 120.200 0.114 0.000 2.529 407 E HA 0.279 4.664 4.350 0.059 0.000 0.259 407 E C 0.292 176.813 176.600 -0.131 0.000 0.966 407 E CA -0.183 56.069 56.400 -0.246 0.000 0.937 407 E CB 0.471 30.030 29.700 -0.234 0.000 0.923 407 E HN 0.174 nan 8.360 nan 0.000 0.468 408 V N 7.909 127.715 119.914 -0.180 0.000 2.356 408 V HA 0.005 4.160 4.120 0.059 0.000 0.258 408 V C 1.238 177.292 176.094 -0.067 0.000 1.065 408 V CA 0.031 62.288 62.300 -0.072 0.000 0.935 408 V CB 0.468 32.256 31.823 -0.059 0.000 1.061 408 V HN 0.769 nan 8.190 nan 0.000 0.484 409 L N 3.959 125.175 121.223 -0.012 0.000 2.109 409 L HA 0.281 4.656 4.340 0.059 0.000 0.207 409 L C 1.266 178.145 176.870 0.017 0.000 1.086 409 L CA 1.361 56.203 54.840 0.004 0.000 0.760 409 L CB -0.265 41.821 42.059 0.046 0.000 0.910 409 L HN 0.793 nan 8.230 nan 0.000 0.437 410 G N -1.581 107.242 108.800 0.037 0.000 2.325 410 G HA2 0.339 4.334 3.960 0.059 0.000 0.295 410 G HA3 0.339 4.334 3.960 0.059 0.000 0.295 410 G C -1.894 173.021 174.900 0.025 0.000 1.274 410 G CA -0.677 44.443 45.100 0.033 0.000 0.857 410 G HN -0.028 nan 8.290 nan 0.000 0.499 411 Q N -0.997 118.806 119.800 0.006 0.000 2.423 411 Q HA 0.703 5.079 4.340 0.059 0.000 0.278 411 Q C -1.511 174.479 176.000 -0.017 0.000 1.097 411 Q CA -0.859 54.886 55.803 -0.098 0.000 0.809 411 Q CB 2.996 31.625 28.738 -0.181 0.000 1.391 411 Q HN 0.755 nan 8.270 nan 0.000 0.428 412 F N -1.383 118.492 119.950 -0.126 0.000 2.588 412 F HA 0.649 5.211 4.527 0.059 0.000 0.310 412 F C -1.754 174.007 175.800 -0.064 0.000 1.082 412 F CA -1.158 56.803 58.000 -0.065 0.000 0.929 412 F CB 0.809 39.749 39.000 -0.100 0.000 1.254 412 F HN 0.367 nan 8.300 nan 0.000 0.455 413 Y N 2.506 123.020 120.300 0.356 0.000 2.420 413 Y HA 0.695 5.280 4.550 0.059 0.000 0.334 413 Y C -0.386 175.709 175.900 0.325 0.000 1.094 413 Y CA -1.140 57.104 58.100 0.240 0.000 1.126 413 Y CB 1.822 40.371 38.460 0.148 0.000 1.217 413 Y HN 0.583 nan 8.280 nan 0.000 0.462 414 L N 3.328 124.787 121.223 0.393 0.000 2.319 414 L HA 0.347 4.723 4.340 0.059 0.000 0.281 414 L C -0.935 176.014 176.870 0.132 0.000 1.005 414 L CA -0.488 54.512 54.840 0.267 0.000 0.828 414 L CB 1.292 43.513 42.059 0.269 0.000 1.227 414 L HN 0.612 nan 8.230 nan 0.000 0.415 415 D N 4.447 124.910 120.400 0.104 0.000 2.462 415 D HA 0.304 4.979 4.640 0.059 0.000 0.249 415 D C 0.436 176.655 176.300 -0.137 0.000 1.117 415 D CA -0.273 53.761 54.000 0.057 0.000 0.900 415 D CB 1.345 42.294 40.800 0.248 0.000 1.039 415 D HN 0.411 nan 8.370 nan 0.000 0.516 416 L N 2.172 123.198 121.223 -0.328 0.000 2.585 416 L HA 0.220 4.595 4.340 0.059 0.000 0.226 416 L C -0.051 176.387 176.870 -0.721 0.000 1.113 416 L CA 0.078 54.512 54.840 -0.677 0.000 0.876 416 L CB -0.056 41.509 42.059 -0.823 0.000 1.072 416 L HN 0.214 nan 8.230 nan 0.000 0.468 417 Y N 0.227 120.477 120.300 -0.084 0.000 2.446 417 Y HA 0.472 5.057 4.550 0.059 0.000 0.338 417 Y C -2.220 173.654 175.900 -0.044 0.000 1.055 417 Y CA -3.582 54.490 58.100 -0.046 0.000 1.101 417 Y CB 0.431 38.886 38.460 -0.008 0.000 1.221 417 Y HN -0.243 nan 8.280 nan 0.000 0.460 418 P HA 0.148 nan 4.420 nan 0.000 0.268 418 P C -0.757 176.577 177.300 0.056 0.000 1.205 418 P CA -0.065 63.069 63.100 0.056 0.000 0.771 418 P CB 1.218 32.946 31.700 0.047 0.000 0.858 419 R N 1.076 121.589 120.500 0.021 0.000 2.643 419 R HA 0.197 4.572 4.340 0.059 0.000 0.269 419 R C -0.644 175.650 176.300 -0.011 0.000 1.037 419 R CA -0.725 55.384 56.100 0.015 0.000 0.894 419 R CB 1.748 32.066 30.300 0.030 0.000 1.238 419 R HN 0.449 nan 8.270 nan 0.000 0.459 420 E N 1.424 121.616 120.200 -0.014 0.000 2.415 420 E HA 0.135 4.520 4.350 0.059 0.000 0.263 420 E C 0.419 176.998 176.600 -0.036 0.000 0.995 420 E CA 1.617 58.002 56.400 -0.025 0.000 0.915 420 E CB 0.492 30.180 29.700 -0.021 0.000 0.951 420 E HN 0.824 nan 8.360 nan 0.000 0.449 421 G N 4.250 113.021 108.800 -0.048 0.000 2.253 421 G HA2 -0.337 3.658 3.960 0.059 0.000 0.251 421 G HA3 -0.337 3.658 3.960 0.059 0.000 0.251 421 G C 0.317 175.173 174.900 -0.073 0.000 0.998 421 G CA 0.579 45.642 45.100 -0.062 0.000 0.621 421 G HN 0.586 nan 8.290 nan 0.000 0.524 422 K N 0.218 120.581 120.400 -0.062 0.000 2.218 422 K HA 0.460 4.815 4.320 0.059 0.000 0.276 422 K C 0.468 177.060 176.600 -0.013 0.000 1.022 422 K CA -0.929 55.324 56.287 -0.056 0.000 0.946 422 K CB 0.365 32.842 32.500 -0.038 0.000 1.000 422 K HN 0.190 nan 8.250 nan 0.000 0.468 423 Y N 4.397 124.633 120.300 -0.107 0.000 2.944 423 Y HA -0.184 4.401 4.550 0.059 0.000 0.340 423 Y C 1.042 176.873 175.900 -0.115 0.000 1.275 423 Y CA 0.965 59.032 58.100 -0.055 0.000 1.590 423 Y CB 0.339 38.800 38.460 0.002 0.000 1.218 423 Y HN 0.776 nan 8.280 nan 0.000 0.576 424 N N 3.975 122.328 118.700 -0.578 0.000 2.322 424 N HA -0.044 4.731 4.740 0.059 0.000 0.194 424 N C -0.603 174.510 175.510 -0.661 0.000 1.126 424 N CA 0.311 53.031 53.050 -0.550 0.000 0.845 424 N CB -0.148 38.021 38.487 -0.531 0.000 0.976 424 N HN 0.560 nan 8.380 nan 0.000 0.475 425 H N 0.226 118.975 119.070 -0.534 0.000 2.737 425 H HA 0.622 5.213 4.556 0.059 0.000 0.358 425 H C -0.377 175.012 175.328 0.102 0.000 1.187 425 H CA -0.949 54.951 56.048 -0.248 0.000 1.221 425 H CB 1.574 31.143 29.762 -0.322 0.000 1.799 425 H HN 0.138 nan 8.280 nan 0.000 0.568 426 A N 0.490 123.463 122.820 0.254 0.000 2.363 426 A HA 0.665 5.020 4.320 0.059 0.000 0.270 426 A C -0.210 177.526 177.584 0.253 0.000 1.121 426 A CA 0.394 52.551 52.037 0.201 0.000 0.800 426 A CB 0.011 19.081 19.000 0.118 0.000 1.052 426 A HN 0.840 nan 8.150 nan 0.000 0.493 427 A N 0.458 123.387 122.820 0.181 0.000 2.586 427 A HA 0.572 4.928 4.320 0.059 0.000 0.291 427 A C -0.975 176.599 177.584 -0.016 0.000 1.062 427 A CA 0.072 52.108 52.037 -0.001 0.000 0.666 427 A CB 0.523 19.346 19.000 -0.294 0.000 1.281 427 A HN 2.131 nan 8.150 nan 0.000 0.421 428 C N 1.047 120.240 119.300 -0.179 0.000 2.340 428 C HA 0.851 5.346 4.460 0.059 0.000 0.323 428 C C -1.409 173.416 174.990 -0.275 0.000 1.260 428 C CA -0.885 58.083 59.018 -0.083 0.000 1.464 428 C CB -1.150 26.572 27.740 -0.031 0.000 2.156 428 C HN 0.550 nan 8.230 nan 0.000 0.476 429 F N 3.881 123.741 119.950 -0.149 0.000 2.420 429 F HA 0.559 5.121 4.527 0.059 0.000 0.342 429 F C 1.126 176.811 175.800 -0.191 0.000 1.113 429 F CA 0.010 57.892 58.000 -0.197 0.000 1.059 429 F CB 1.510 40.374 39.000 -0.227 0.000 1.128 429 F HN 0.808 nan 8.300 nan 0.000 0.475 430 G N 3.890 112.676 108.800 -0.022 0.000 2.338 430 G HA2 0.458 4.454 3.960 0.059 0.000 0.295 430 G HA3 0.458 4.454 3.960 0.059 0.000 0.295 430 G C 0.316 175.198 174.900 -0.031 0.000 1.132 430 G CA -0.375 44.704 45.100 -0.034 0.000 0.922 430 G HN 0.781 nan 8.290 nan 0.000 0.427 431 L N 1.014 122.219 121.223 -0.030 0.000 2.470 431 L HA 0.337 4.713 4.340 0.059 0.000 0.219 431 L C 1.045 177.938 176.870 0.038 0.000 1.071 431 L CA 0.424 55.248 54.840 -0.026 0.000 0.850 431 L CB 0.356 42.405 42.059 -0.017 0.000 1.040 431 L HN 0.476 nan 8.230 nan 0.000 0.475 432 Q N 0.783 120.610 119.800 0.045 0.000 2.268 432 Q HA 0.346 4.721 4.340 0.059 0.000 0.266 432 Q C -2.695 173.320 176.000 0.026 0.000 1.006 432 Q CA -1.790 54.038 55.803 0.040 0.000 0.824 432 Q CB 3.312 32.087 28.738 0.062 0.000 1.306 432 Q HN -0.199 nan 8.270 nan 0.000 0.424 433 P HA 0.170 nan 4.420 nan 0.000 0.277 433 P C -0.315 176.993 177.300 0.013 0.000 1.240 433 P CA -0.159 62.950 63.100 0.015 0.000 0.798 433 P CB 1.113 32.827 31.700 0.023 0.000 0.979 434 G N 1.313 110.119 108.800 0.010 0.000 3.714 434 G HA2 0.400 4.396 3.960 0.059 0.000 0.276 434 G HA3 0.400 4.396 3.960 0.059 0.000 0.276 434 G C 0.511 175.412 174.900 0.002 0.000 1.058 434 G CA -0.348 44.755 45.100 0.004 0.000 1.700 434 G HN 0.744 nan 8.290 nan 0.000 0.605 435 C N -0.146 119.152 119.300 -0.004 0.000 2.803 435 C HA 0.801 5.297 4.460 0.059 0.000 0.389 435 C C 0.515 175.474 174.990 -0.051 0.000 1.433 435 C CA -1.570 57.434 59.018 -0.024 0.000 1.714 435 C CB 0.507 28.241 27.740 -0.010 0.000 2.106 435 C HN 0.309 nan 8.230 nan 0.000 0.480 436 L N 1.520 122.684 121.223 -0.098 0.000 2.397 436 L HA 0.416 4.792 4.340 0.059 0.000 0.271 436 L C 0.106 176.930 176.870 -0.076 0.000 1.148 436 L CA -0.092 54.689 54.840 -0.099 0.000 0.825 436 L CB 0.451 42.417 42.059 -0.155 0.000 1.117 436 L HN 0.604 nan 8.230 nan 0.000 0.456 437 L N 3.350 124.542 121.223 -0.051 0.000 2.400 437 L HA 0.323 4.698 4.340 0.059 0.000 0.264 437 L C -1.368 175.482 176.870 -0.034 0.000 1.061 437 L CA -1.592 53.228 54.840 -0.033 0.000 0.799 437 L CB 0.719 42.766 42.059 -0.021 0.000 1.240 437 L HN 0.367 nan 8.230 nan 0.000 0.461 438 P HA -0.203 nan 4.420 nan 0.000 0.217 438 P C 0.495 177.788 177.300 -0.012 0.000 1.151 438 P CA 1.323 64.414 63.100 -0.015 0.000 0.849 438 P CB 0.025 31.721 31.700 -0.007 0.000 0.787 439 D N -2.006 118.387 120.400 -0.011 0.000 2.325 439 D HA 0.060 4.735 4.640 0.059 0.000 0.225 439 D C 1.290 177.583 176.300 -0.011 0.000 1.096 439 D CA 0.538 54.533 54.000 -0.007 0.000 0.844 439 D CB -0.630 40.168 40.800 -0.004 0.000 0.925 439 D HN 0.240 nan 8.370 nan 0.000 0.513 440 G N 0.745 109.533 108.800 -0.021 0.000 2.199 440 G HA2 -0.321 3.675 3.960 0.059 0.000 0.254 440 G HA3 -0.321 3.675 3.960 0.059 0.000 0.254 440 G C 0.452 175.339 174.900 -0.022 0.000 0.982 440 G CA 0.498 45.582 45.100 -0.026 0.000 0.632 440 G HN 0.767 nan 8.290 nan 0.000 0.529 441 S N -0.445 115.245 115.700 -0.016 0.000 2.603 441 S HA 0.634 5.139 4.470 0.059 0.000 0.268 441 S C 0.273 174.857 174.600 -0.026 0.000 1.317 441 S CA 0.032 58.224 58.200 -0.013 0.000 1.012 441 S CB 1.989 65.185 63.200 -0.006 0.000 0.926 441 S HN 0.749 nan 8.310 nan 0.000 0.539 442 R N 0.968 121.450 120.500 -0.030 0.000 2.368 442 R HA 0.463 4.838 4.340 0.059 0.000 0.302 442 R C -0.122 176.159 176.300 -0.031 0.000 1.002 442 R CA -0.672 55.406 56.100 -0.037 0.000 0.929 442 R CB 0.931 31.204 30.300 -0.045 0.000 1.073 442 R HN 0.882 nan 8.270 nan 0.000 0.464 443 M N 5.236 124.821 119.600 -0.025 0.000 2.211 443 M HA 0.181 4.697 4.480 0.059 0.000 0.356 443 M C -0.297 175.996 176.300 -0.013 0.000 1.216 443 M CA -0.083 55.208 55.300 -0.015 0.000 1.134 443 M CB 1.061 33.657 32.600 -0.008 0.000 1.564 443 M HN 0.707 nan 8.290 nan 0.000 0.463 444 M N 4.256 123.851 119.600 -0.009 0.000 2.200 444 M HA 0.153 4.668 4.480 0.059 0.000 0.355 444 M C -0.340 175.968 176.300 0.013 0.000 1.283 444 M CA 0.181 55.478 55.300 -0.005 0.000 1.124 444 M CB 0.887 33.484 32.600 -0.005 0.000 1.625 444 M HN 0.834 nan 8.290 nan 0.000 0.463 445 S N 3.649 119.358 115.700 0.016 0.000 2.565 445 S HA 0.507 5.013 4.470 0.059 0.000 0.276 445 S C -0.831 173.799 174.600 0.051 0.000 1.326 445 S CA -0.675 57.542 58.200 0.028 0.000 1.045 445 S CB 0.463 63.675 63.200 0.020 0.000 0.918 445 S HN 0.608 nan 8.310 nan 0.000 0.505 446 V N 3.075 123.032 119.914 0.072 0.000 2.760 446 V HA 0.863 5.019 4.120 0.059 0.000 0.309 446 V C -0.110 176.063 176.094 0.131 0.000 1.077 446 V CA -0.584 61.793 62.300 0.127 0.000 0.910 446 V CB 1.508 33.449 31.823 0.197 0.000 1.008 446 V HN 1.078 nan 8.190 nan 0.000 0.424 447 A N 3.093 126.024 122.820 0.184 0.000 2.515 447 A HA 1.031 5.386 4.320 0.059 0.000 0.296 447 A C -0.720 177.042 177.584 0.297 0.000 1.094 447 A CA -0.308 51.822 52.037 0.154 0.000 0.718 447 A CB 2.080 21.120 19.000 0.067 0.000 1.307 447 A HN 1.643 nan 8.150 nan 0.000 0.408 448 A N 0.917 123.865 122.820 0.214 0.000 2.335 448 A HA 0.649 5.005 4.320 0.059 0.000 0.304 448 A C -0.980 176.770 177.584 0.277 0.000 1.118 448 A CA -0.322 51.910 52.037 0.324 0.000 0.757 448 A CB 0.797 19.877 19.000 0.133 0.000 1.188 448 A HN 1.397 nan 8.150 nan 0.000 0.460 449 L N 3.876 125.262 121.223 0.272 0.000 2.260 449 L HA 0.621 4.996 4.340 0.059 0.000 0.289 449 L C -1.227 175.745 176.870 0.170 0.000 1.057 449 L CA -0.443 54.507 54.840 0.182 0.000 0.811 449 L CB 0.986 43.129 42.059 0.140 0.000 1.184 449 L HN 0.421 nan 8.230 nan 0.000 0.429 450 V N 6.697 126.712 119.914 0.169 0.000 2.326 450 V HA 0.454 4.610 4.120 0.059 0.000 0.281 450 V C -0.091 176.017 176.094 0.023 0.000 1.015 450 V CA -0.401 61.972 62.300 0.121 0.000 0.823 450 V CB 1.455 33.403 31.823 0.209 0.000 1.009 450 V HN 0.625 nan 8.190 nan 0.000 0.436 451 V N 2.010 121.803 119.914 -0.202 0.000 3.158 451 V HA 0.736 4.891 4.120 0.059 0.000 0.311 451 V C -0.637 175.176 176.094 -0.469 0.000 1.181 451 V CA -0.933 61.115 62.300 -0.420 0.000 1.054 451 V CB 2.882 34.130 31.823 -0.959 0.000 1.085 451 V HN 0.631 nan 8.190 nan 0.000 0.446 452 N N 1.301 119.730 118.700 -0.452 0.000 2.762 452 N HA 0.468 5.243 4.740 0.059 0.000 0.252 452 N C -1.669 173.792 175.510 -0.082 0.000 1.269 452 N CA -0.047 52.869 53.050 -0.224 0.000 0.799 452 N CB 1.037 39.475 38.487 -0.082 0.000 1.173 452 N HN 0.575 nan 8.380 nan 0.000 0.516 453 F N 0.609 120.518 119.950 -0.068 0.000 2.379 453 F HA 0.305 4.867 4.527 0.059 0.000 0.332 453 F C 1.482 177.340 175.800 0.096 0.000 1.096 453 F CA -1.193 56.786 58.000 -0.035 0.000 1.105 453 F CB 0.692 39.608 39.000 -0.139 0.000 1.189 453 F HN 0.039 nan 8.300 nan 0.000 0.515 454 S N 2.104 117.978 115.700 0.290 0.000 2.593 454 S HA -0.028 4.477 4.470 0.059 0.000 0.300 454 S C 0.135 174.878 174.600 0.237 0.000 1.267 454 S CA -0.276 58.041 58.200 0.195 0.000 1.065 454 S CB -0.120 63.149 63.200 0.115 0.000 0.807 454 S HN 0.494 nan 8.310 nan 0.000 0.499 455 Q N 3.010 122.901 119.800 0.152 0.000 2.249 455 Q HA 0.321 4.696 4.340 0.059 0.000 0.226 455 Q C -2.175 173.812 176.000 -0.021 0.000 0.983 455 Q CA -1.999 53.819 55.803 0.024 0.000 0.930 455 Q CB 0.179 28.858 28.738 -0.098 0.000 1.193 455 Q HN 0.416 nan 8.270 nan 0.000 0.508 456 P HA 0.012 nan 4.420 nan 0.000 0.271 456 P C -0.955 176.310 177.300 -0.059 0.000 1.233 456 P CA 0.091 63.149 63.100 -0.070 0.000 0.764 456 P CB 0.439 32.090 31.700 -0.082 0.000 0.825 457 V N 0.091 119.976 119.914 -0.048 0.000 2.581 457 V HA 0.833 4.988 4.120 0.059 0.000 0.303 457 V C 0.461 176.536 176.094 -0.031 0.000 1.041 457 V CA -0.208 62.073 62.300 -0.032 0.000 0.907 457 V CB 0.667 32.479 31.823 -0.018 0.000 0.994 457 V HN 0.971 nan 8.190 nan 0.000 0.442 458 A N 3.722 126.532 122.820 -0.017 0.000 5.699 458 A HA -0.098 4.257 4.320 0.059 0.000 0.280 458 A C 1.561 179.141 177.584 -0.006 0.000 2.071 458 A CA 1.307 53.340 52.037 -0.005 0.000 0.714 458 A CB -2.067 16.933 19.000 0.001 0.000 1.162 458 A HN 2.573 nan 8.150 nan 0.000 0.363 459 G N -0.682 108.124 108.800 0.009 0.000 2.777 459 G HA2 0.307 4.302 3.960 0.059 0.000 0.211 459 G HA3 0.307 4.302 3.960 0.059 0.000 0.211 459 G C 0.706 175.617 174.900 0.019 0.000 1.149 459 G CA 0.776 45.890 45.100 0.023 0.000 0.785 459 G HN 0.804 nan 8.290 nan 0.000 0.536 460 R N 0.845 121.327 120.500 -0.031 0.000 2.594 460 R HA 0.280 4.655 4.340 0.059 0.000 0.272 460 R C -2.403 173.808 176.300 -0.147 0.000 1.074 460 R CA -1.380 54.629 56.100 -0.152 0.000 1.105 460 R CB 0.298 30.399 30.300 -0.332 0.000 1.008 460 R HN 0.083 nan 8.270 nan 0.000 0.472 461 P HA -0.010 nan 4.420 nan 0.000 0.277 461 P C -0.533 176.711 177.300 -0.093 0.000 1.276 461 P CA -0.499 62.553 63.100 -0.079 0.000 0.788 461 P CB 0.510 32.199 31.700 -0.018 0.000 1.114 462 S N 0.163 115.863 115.700 -0.001 0.000 2.498 462 S HA 0.183 4.688 4.470 0.059 0.000 0.281 462 S C -0.471 174.141 174.600 0.019 0.000 1.265 462 S CA -0.234 58.000 58.200 0.057 0.000 1.071 462 S CB -1.348 61.989 63.200 0.229 0.000 0.894 462 S HN 0.176 nan 8.310 nan 0.000 0.491 463 L N 5.366 126.577 121.223 -0.020 0.000 2.333 463 L HA 0.509 4.885 4.340 0.059 0.000 0.280 463 L C -0.974 175.900 176.870 0.006 0.000 1.004 463 L CA -1.054 53.771 54.840 -0.025 0.000 0.820 463 L CB 1.479 43.470 42.059 -0.113 0.000 1.247 463 L HN 0.452 nan 8.230 nan 0.000 0.416 464 L N 3.884 125.119 121.223 0.019 0.000 2.289 464 L HA 0.452 4.827 4.340 0.059 0.000 0.285 464 L C 0.535 177.420 176.870 0.025 0.000 1.049 464 L CA -0.040 54.745 54.840 -0.091 0.000 0.804 464 L CB 1.111 42.979 42.059 -0.318 0.000 1.195 464 L HN 0.471 nan 8.230 nan 0.000 0.428 465 R N 1.270 121.758 120.500 -0.019 0.000 2.707 465 R HA 0.090 4.465 4.340 0.059 0.000 0.270 465 R C 1.302 177.582 176.300 -0.033 0.000 1.083 465 R CA -0.549 55.589 56.100 0.063 0.000 1.182 465 R CB 0.367 30.696 30.300 0.048 0.000 1.084 465 R HN 0.641 nan 8.270 nan 0.000 0.528 466 H N 1.974 121.014 119.070 -0.051 0.000 2.387 466 H HA -0.171 4.421 4.556 0.059 0.000 0.299 466 H C 1.117 176.276 175.328 -0.282 0.000 1.099 466 H CA 2.299 58.205 56.048 -0.237 0.000 1.315 466 H CB 0.269 29.931 29.762 -0.166 0.000 1.380 466 H HN 0.704 nan 8.280 nan 0.000 0.513 467 D N 0.152 120.457 120.400 -0.159 0.000 2.264 467 D HA -0.149 4.526 4.640 0.059 0.000 0.208 467 D C 1.482 177.685 176.300 -0.161 0.000 0.966 467 D CA 0.787 54.699 54.000 -0.146 0.000 0.864 467 D CB -0.346 40.460 40.800 0.010 0.000 0.933 467 D HN 0.555 nan 8.370 nan 0.000 0.499 468 E N 0.321 120.397 120.200 -0.206 0.000 2.112 468 E HA -0.039 4.347 4.350 0.059 0.000 0.190 468 E C 2.414 178.798 176.600 -0.359 0.000 0.979 468 E CA 0.283 56.531 56.400 -0.255 0.000 0.814 468 E CB 0.318 29.755 29.700 -0.438 0.000 0.762 468 E HN 0.114 nan 8.360 nan 0.000 0.460 469 V N 1.301 120.936 119.914 -0.465 0.000 2.515 469 V HA -0.229 3.927 4.120 0.059 0.000 0.250 469 V C 2.354 178.323 176.094 -0.208 0.000 1.058 469 V CA 1.713 63.772 62.300 -0.402 0.000 1.064 469 V CB -0.413 30.931 31.823 -0.799 0.000 0.675 469 V HN 0.157 nan 8.190 nan 0.000 0.461 470 R N -0.238 120.031 120.500 -0.385 0.000 2.115 470 R HA -0.127 4.248 4.340 0.059 0.000 0.230 470 R C 2.298 178.652 176.300 0.091 0.000 1.111 470 R CA 1.807 57.764 56.100 -0.239 0.000 0.976 470 R CB -0.297 29.802 30.300 -0.334 0.000 0.870 470 R HN 0.490 nan 8.270 nan 0.000 0.445 471 T N 0.085 114.711 114.554 0.120 0.000 2.857 471 T HA -0.132 4.254 4.350 0.059 0.000 0.266 471 T C 1.169 176.118 174.700 0.415 0.000 1.048 471 T CA 0.964 63.214 62.100 0.249 0.000 1.139 471 T CB -0.372 68.647 68.868 0.252 0.000 0.874 471 T HN 0.234 nan 8.240 nan 0.000 0.455 472 Y N 1.155 121.631 120.300 0.292 0.000 2.097 472 Y HA -0.126 4.460 4.550 0.059 0.000 0.282 472 Y C 1.941 177.927 175.900 0.143 0.000 1.152 472 Y CA 0.565 58.826 58.100 0.269 0.000 1.136 472 Y CB -0.975 37.579 38.460 0.157 0.000 0.975 472 Y HN 0.199 nan 8.280 nan 0.000 0.498 473 F N -0.729 119.307 119.950 0.142 0.000 2.134 473 F HA -0.195 4.367 4.527 0.059 0.000 0.299 473 F C 2.683 178.563 175.800 0.134 0.000 1.097 473 F CA 1.980 60.026 58.000 0.077 0.000 1.264 473 F CB -1.064 37.952 39.000 0.026 0.000 1.001 473 F HN 0.224 nan 8.300 nan 0.000 0.479 474 H N -0.242 118.976 119.070 0.247 0.000 2.265 474 H HA -0.192 4.400 4.556 0.059 0.000 0.295 474 H C 2.242 177.594 175.328 0.041 0.000 1.084 474 H CA 2.325 58.443 56.048 0.118 0.000 1.261 474 H CB -0.115 29.733 29.762 0.143 0.000 1.360 474 H HN 0.012 nan 8.280 nan 0.000 0.487 475 E N -0.262 120.137 120.200 0.331 0.000 2.085 475 E HA -0.152 4.233 4.350 0.059 0.000 0.194 475 E C 1.941 178.587 176.600 0.077 0.000 0.994 475 E CA 1.025 57.586 56.400 0.268 0.000 0.801 475 E CB -0.537 29.331 29.700 0.279 0.000 0.743 475 E HN 0.507 nan 8.360 nan 0.000 0.453 476 F N 0.061 119.919 119.950 -0.154 0.000 2.365 476 F HA -0.001 4.561 4.527 0.060 0.000 0.300 476 F C 1.986 177.558 175.800 -0.380 0.000 1.090 476 F CA 1.382 59.114 58.000 -0.446 0.000 1.408 476 F CB -0.350 38.142 39.000 -0.846 0.000 1.060 476 F HN 0.079 nan 8.300 nan 0.000 0.534 477 G N -1.082 107.607 108.800 -0.185 0.000 2.408 477 G HA2 -0.240 3.756 3.960 0.059 0.000 0.217 477 G HA3 -0.240 3.756 3.960 0.059 0.000 0.217 477 G C 1.585 176.343 174.900 -0.235 0.000 1.150 477 G CA 0.811 45.803 45.100 -0.179 0.000 0.776 477 G HN 0.385 nan 8.290 nan 0.000 0.542 478 H N 0.037 119.010 119.070 -0.161 0.000 2.357 478 H HA 0.017 4.609 4.556 0.059 0.000 0.301 478 H C 2.868 178.093 175.328 -0.173 0.000 1.082 478 H CA 1.076 57.060 56.048 -0.106 0.000 1.342 478 H CB -0.459 29.248 29.762 -0.091 0.000 1.389 478 H HN 0.173 nan 8.280 nan 0.000 0.511 479 V N 1.187 120.966 119.914 -0.224 0.000 2.287 479 V HA -0.270 3.885 4.120 0.059 0.000 0.248 479 V C 2.616 178.454 176.094 -0.426 0.000 1.053 479 V CA 1.486 63.536 62.300 -0.416 0.000 1.027 479 V CB -0.401 30.911 31.823 -0.852 0.000 0.646 479 V HN 0.315 nan 8.190 nan 0.000 0.447 480 M N -1.052 118.232 119.600 -0.527 0.000 2.229 480 M HA -0.150 4.366 4.480 0.059 0.000 0.264 480 M C 2.106 178.379 176.300 -0.045 0.000 1.063 480 M CA 1.678 56.812 55.300 -0.277 0.000 1.114 480 M CB -1.433 31.070 32.600 -0.162 0.000 1.387 480 M HN 0.565 nan 8.290 nan 0.000 0.420 481 H N -0.556 118.434 119.070 -0.133 0.000 2.326 481 H HA -0.211 4.380 4.556 0.059 0.000 0.301 481 H C 2.243 177.541 175.328 -0.050 0.000 1.081 481 H CA 1.628 57.630 56.048 -0.075 0.000 1.334 481 H CB 0.358 30.102 29.762 -0.030 0.000 1.385 481 H HN 0.247 nan 8.280 nan 0.000 0.504 482 Q N 1.085 120.865 119.800 -0.034 0.000 2.030 482 Q HA -0.134 4.242 4.340 0.059 0.000 0.204 482 Q C 2.263 178.239 176.000 -0.041 0.000 0.986 482 Q CA 1.995 57.744 55.803 -0.090 0.000 0.843 482 Q CB -0.359 28.334 28.738 -0.075 0.000 0.904 482 Q HN 0.623 nan 8.270 nan 0.000 0.420 483 I N -0.782 119.771 120.570 -0.028 0.000 2.353 483 I HA -0.252 3.954 4.170 0.059 0.000 0.248 483 I C 1.950 178.085 176.117 0.029 0.000 1.119 483 I CA 0.642 61.949 61.300 0.011 0.000 1.417 483 I CB -0.098 37.921 38.000 0.032 0.000 1.078 483 I HN 0.286 nan 8.210 nan 0.000 0.421 484 C N 1.062 120.383 119.300 0.034 0.000 2.481 484 C HA 0.267 4.762 4.460 0.059 0.000 0.275 484 C C 1.572 176.585 174.990 0.039 0.000 1.419 484 C CA -0.659 58.384 59.018 0.042 0.000 1.773 484 C CB -1.354 26.409 27.740 0.038 0.000 1.862 484 C HN 0.400 nan 8.230 nan 0.000 0.530 485 A N 1.244 124.088 122.820 0.041 0.000 2.491 485 A HA 0.387 4.742 4.320 0.059 0.000 0.261 485 A C -0.103 177.497 177.584 0.026 0.000 1.101 485 A CA 0.614 52.675 52.037 0.039 0.000 0.772 485 A CB 0.002 19.001 19.000 -0.003 0.000 1.043 485 A HN 0.705 nan 8.150 nan 0.000 0.501 486 Q N 1.670 121.490 119.800 0.033 0.000 2.303 486 Q HA 0.468 4.843 4.340 0.059 0.000 0.267 486 Q C -0.510 175.511 176.000 0.035 0.000 1.011 486 Q CA -0.452 55.365 55.803 0.023 0.000 0.740 486 Q CB 2.161 30.906 28.738 0.011 0.000 1.250 486 Q HN 0.904 nan 8.270 nan 0.000 0.458 487 T N -2.200 112.380 114.554 0.044 0.000 2.888 487 T HA 0.350 4.736 4.350 0.059 0.000 0.288 487 T C 0.165 174.861 174.700 -0.007 0.000 1.063 487 T CA -0.680 61.462 62.100 0.071 0.000 1.010 487 T CB 1.435 70.418 68.868 0.192 0.000 1.214 487 T HN 0.150 nan 8.240 nan 0.000 0.533 488 D N -0.320 120.039 120.400 -0.068 0.000 2.137 488 D HA 0.195 4.871 4.640 0.059 0.000 0.202 488 D C -0.066 175.902 176.300 -0.555 0.000 0.970 488 D CA 1.088 54.858 54.000 -0.384 0.000 0.837 488 D CB -0.130 40.284 40.800 -0.643 0.000 0.981 488 D HN 0.503 nan 8.370 nan 0.000 0.475 489 F N -0.482 119.536 119.950 0.112 0.000 2.450 489 F HA 0.503 5.068 4.527 0.063 0.000 0.332 489 F C 1.351 177.155 175.800 0.008 0.000 1.093 489 F CA -1.029 56.985 58.000 0.024 0.000 1.003 489 F CB 1.548 40.542 39.000 -0.009 0.000 1.151 489 F HN -0.213 nan 8.300 nan 0.000 0.474 490 A N 2.964 125.869 122.820 0.142 0.000 1.940 490 A HA -0.203 4.152 4.320 0.059 0.000 0.219 490 A C 2.216 179.823 177.584 0.039 0.000 1.176 490 A CA 1.870 53.955 52.037 0.080 0.000 0.631 490 A CB -0.757 18.289 19.000 0.077 0.000 0.814 490 A HN 0.891 nan 8.150 nan 0.000 0.446 491 R N -1.793 118.677 120.500 -0.051 0.000 2.285 491 R HA 0.039 4.415 4.340 0.059 0.000 0.213 491 R C 0.870 177.048 176.300 -0.203 0.000 1.068 491 R CA 1.615 57.594 56.100 -0.202 0.000 1.004 491 R CB -0.525 29.547 30.300 -0.379 0.000 0.873 491 R HN 0.509 nan 8.270 nan 0.000 0.467 492 F N 1.106 121.147 119.950 0.152 0.000 2.682 492 F HA 0.225 4.786 4.527 0.056 0.000 0.308 492 F C 0.852 176.690 175.800 0.065 0.000 1.093 492 F CA -0.883 57.182 58.000 0.109 0.000 1.244 492 F CB 0.567 39.663 39.000 0.160 0.000 1.052 492 F HN 0.034 nan 8.300 nan 0.000 0.573 493 S N 0.084 115.893 115.700 0.182 0.000 2.608 493 S HA 0.575 5.081 4.470 0.059 0.000 0.261 493 S C 1.183 175.788 174.600 0.009 0.000 1.314 493 S CA -0.015 58.238 58.200 0.088 0.000 0.992 493 S CB 0.880 64.112 63.200 0.055 0.000 0.935 493 S HN 0.539 nan 8.310 nan 0.000 0.564 494 G N 1.233 110.002 108.800 -0.051 0.000 2.672 494 G HA2 -0.378 3.617 3.960 0.059 0.000 0.324 494 G HA3 -0.378 3.617 3.960 0.059 0.000 0.324 494 G C 0.802 175.468 174.900 -0.389 0.000 1.286 494 G CA 1.447 46.446 45.100 -0.170 0.000 1.004 494 G HN 2.098 nan 8.290 nan 0.000 0.548 495 T N -1.373 112.956 114.554 -0.375 0.000 3.235 495 T HA 0.222 4.608 4.350 0.059 0.000 0.251 495 T C 0.948 175.578 174.700 -0.116 0.000 1.060 495 T CA 0.716 62.569 62.100 -0.413 0.000 0.949 495 T CB -0.143 68.585 68.868 -0.233 0.000 1.020 495 T HN 0.430 nan 8.240 nan 0.000 0.564 496 N N 3.015 121.683 118.700 -0.054 0.000 3.167 496 N HA 0.138 4.913 4.740 0.059 0.000 0.318 496 N C 0.483 176.060 175.510 0.111 0.000 1.268 496 N CA 0.095 53.170 53.050 0.041 0.000 1.197 496 N CB 0.256 38.788 38.487 0.074 0.000 1.464 496 N HN 0.623 nan 8.380 nan 0.000 0.555 497 V N -2.199 117.799 119.914 0.140 0.000 3.267 497 V HA 0.477 4.633 4.120 0.059 0.000 0.317 497 V C 0.433 176.622 176.094 0.158 0.000 1.131 497 V CA -1.165 61.249 62.300 0.190 0.000 1.031 497 V CB 0.858 32.926 31.823 0.409 0.000 1.159 497 V HN -0.027 nan 8.190 nan 0.000 0.454 498 E N 0.564 120.849 120.200 0.141 0.000 2.442 498 E HA 0.177 4.562 4.350 0.059 0.000 0.262 498 E C 1.189 177.880 176.600 0.150 0.000 1.004 498 E CA 0.808 57.277 56.400 0.115 0.000 0.928 498 E CB 0.476 30.236 29.700 0.100 0.000 0.937 498 E HN 0.759 nan 8.360 nan 0.000 0.446 499 T N 1.742 116.327 114.554 0.052 0.000 2.737 499 T HA -0.208 4.178 4.350 0.059 0.000 0.269 499 T C 0.948 175.651 174.700 0.005 0.000 1.040 499 T CA 1.772 63.868 62.100 -0.007 0.000 1.142 499 T CB -0.276 68.556 68.868 -0.060 0.000 0.861 499 T HN 0.652 nan 8.240 nan 0.000 0.456 500 D N -0.415 120.002 120.400 0.028 0.000 2.325 500 D HA 0.060 4.735 4.640 0.059 0.000 0.234 500 D C 0.879 177.356 176.300 0.295 0.000 1.122 500 D CA -0.187 53.815 54.000 0.003 0.000 0.850 500 D CB -0.548 40.101 40.800 -0.252 0.000 0.921 500 D HN 0.465 nan 8.370 nan 0.000 0.513 501 F N 0.179 120.207 119.950 0.129 0.000 2.834 501 F HA 0.089 4.652 4.527 0.060 0.000 0.332 501 F C 1.859 177.741 175.800 0.138 0.000 1.056 501 F CA 0.037 58.152 58.000 0.192 0.000 1.178 501 F CB 0.435 39.558 39.000 0.204 0.000 1.037 501 F HN -0.088 nan 8.300 nan 0.000 0.580 502 V N -1.121 118.906 119.914 0.188 0.000 2.568 502 V HA -0.154 4.002 4.120 0.059 0.000 0.253 502 V C 1.385 177.548 176.094 0.115 0.000 1.072 502 V CA 2.020 64.419 62.300 0.164 0.000 1.084 502 V CB -0.581 31.308 31.823 0.110 0.000 0.676 502 V HN 0.219 nan 8.190 nan 0.000 0.469 503 E N 0.188 120.406 120.200 0.030 0.000 2.445 503 E HA 0.200 4.586 4.350 0.059 0.000 0.189 503 E C 1.863 178.335 176.600 -0.215 0.000 1.069 503 E CA 0.339 56.732 56.400 -0.012 0.000 0.871 503 E CB 0.665 30.385 29.700 0.032 0.000 0.991 503 E HN 0.618 nan 8.360 nan 0.000 0.481 504 V N 1.293 121.010 119.914 -0.329 0.000 2.302 504 V HA -0.121 4.035 4.120 0.059 0.000 0.243 504 V C -0.805 175.110 176.094 -0.299 0.000 1.036 504 V CA 1.452 63.522 62.300 -0.383 0.000 1.020 504 V CB -1.099 30.290 31.823 -0.723 0.000 0.657 504 V HN 0.177 nan 8.190 nan 0.000 0.453 505 P HA -0.137 nan 4.420 nan 0.000 0.216 505 P C 2.030 179.166 177.300 -0.274 0.000 1.150 505 P CA 2.118 65.082 63.100 -0.227 0.000 0.837 505 P CB -0.115 31.376 31.700 -0.347 0.000 0.786 506 S N -0.680 114.724 115.700 -0.494 0.000 2.357 506 S HA -0.170 4.335 4.470 0.059 0.000 0.221 506 S C 2.033 176.382 174.600 -0.418 0.000 1.031 506 S CA 0.840 58.596 58.200 -0.739 0.000 0.982 506 S CB -1.365 60.872 63.200 -1.604 0.000 0.853 506 S HN 0.186 nan 8.310 nan 0.000 0.458 507 Q N 0.212 119.850 119.800 -0.270 0.000 2.224 507 Q HA 0.096 4.471 4.340 0.059 0.000 0.203 507 Q C 2.184 178.135 176.000 -0.080 0.000 0.970 507 Q CA 1.073 56.826 55.803 -0.084 0.000 0.865 507 Q CB -0.292 28.369 28.738 -0.130 0.000 0.922 507 Q HN 0.622 nan 8.270 nan 0.000 0.445 508 M N 0.390 119.920 119.600 -0.117 0.000 2.175 508 M HA -0.119 4.397 4.480 0.059 0.000 0.264 508 M C 1.610 177.869 176.300 -0.069 0.000 1.063 508 M CA 1.258 56.495 55.300 -0.106 0.000 1.119 508 M CB 0.178 32.717 32.600 -0.102 0.000 1.377 508 M HN 0.217 nan 8.290 nan 0.000 0.415 509 L N -0.448 120.732 121.223 -0.071 0.000 2.291 509 L HA -0.126 4.249 4.340 0.059 0.000 0.214 509 L C 1.924 178.909 176.870 0.191 0.000 1.120 509 L CA 0.777 55.618 54.840 0.002 0.000 0.799 509 L CB -0.625 41.410 42.059 -0.041 0.000 0.925 509 L HN 0.337 nan 8.230 nan 0.000 0.446 510 E N 0.255 120.516 120.200 0.102 0.000 2.204 510 E HA -0.166 4.219 4.350 0.059 0.000 0.194 510 E C 1.670 178.289 176.600 0.032 0.000 0.989 510 E CA 0.542 56.997 56.400 0.092 0.000 0.824 510 E CB -0.076 29.730 29.700 0.176 0.000 0.756 510 E HN 0.519 nan 8.360 nan 0.000 0.477 511 N N 0.500 119.124 118.700 -0.126 0.000 2.205 511 N HA -0.188 4.588 4.740 0.059 0.000 0.186 511 N C 1.372 176.683 175.510 -0.332 0.000 1.015 511 N CA 0.891 53.663 53.050 -0.464 0.000 0.862 511 N CB -0.178 37.240 38.487 -1.781 0.000 0.986 511 N HN 0.401 nan 8.380 nan 0.000 0.429 512 W N 1.566 122.617 121.300 -0.416 0.000 2.421 512 W HA -0.057 4.639 4.660 0.059 0.000 0.270 512 W C 1.718 177.964 176.519 -0.454 0.000 1.233 512 W CA 0.681 57.832 57.345 -0.322 0.000 1.226 512 W CB -0.010 29.299 29.460 -0.252 0.000 1.121 512 W HN -0.073 nan 8.180 nan 0.000 0.579 513 V N -4.285 115.363 119.914 -0.445 0.000 3.623 513 V HA -0.028 4.127 4.120 0.059 0.000 0.271 513 V C 0.460 176.298 176.094 -0.427 0.000 1.248 513 V CA 0.540 62.468 62.300 -0.620 0.000 1.156 513 V CB -1.196 30.053 31.823 -0.956 0.000 0.870 513 V HN 0.129 nan 8.190 nan 0.000 0.453 514 W N 0.240 121.482 121.300 -0.096 0.000 2.599 514 W HA 0.500 5.195 4.660 0.059 0.000 0.396 514 W C 0.073 176.543 176.519 -0.081 0.000 0.944 514 W CA -0.609 56.701 57.345 -0.058 0.000 2.042 514 W CB 0.519 29.932 29.460 -0.078 0.000 1.184 514 W HN 0.198 nan 8.180 nan 0.000 0.604 515 D N -0.183 120.251 120.400 0.057 0.000 2.414 515 D HA 0.224 4.900 4.640 0.059 0.000 0.232 515 D C 1.095 177.408 176.300 0.022 0.000 1.070 515 D CA -0.236 53.774 54.000 0.017 0.000 0.839 515 D CB 1.806 42.565 40.800 -0.069 0.000 1.079 515 D HN -0.189 nan 8.370 nan 0.000 0.521 516 V N 3.681 123.612 119.914 0.029 0.000 2.250 516 V HA -0.325 3.831 4.120 0.059 0.000 0.253 516 V C 1.572 177.684 176.094 0.030 0.000 1.065 516 V CA 2.116 64.431 62.300 0.024 0.000 1.039 516 V CB -0.438 31.395 31.823 0.017 0.000 0.647 516 V HN 0.657 nan 8.190 nan 0.000 0.446 517 D N -0.297 120.121 120.400 0.030 0.000 2.144 517 D HA -0.102 4.573 4.640 0.059 0.000 0.199 517 D C 2.436 178.780 176.300 0.074 0.000 0.984 517 D CA 1.603 55.631 54.000 0.046 0.000 0.834 517 D CB -0.252 40.573 40.800 0.041 0.000 0.955 517 D HN 0.451 nan 8.370 nan 0.000 0.465 518 S N 0.154 115.903 115.700 0.081 0.000 2.368 518 S HA -0.037 4.469 4.470 0.059 0.000 0.224 518 S C 2.185 176.851 174.600 0.110 0.000 1.029 518 S CA 0.365 58.644 58.200 0.131 0.000 0.988 518 S CB -0.198 63.098 63.200 0.161 0.000 0.838 518 S HN 0.232 nan 8.310 nan 0.000 0.462 519 L N 1.317 122.586 121.223 0.076 0.000 2.079 519 L HA -0.145 4.231 4.340 0.059 0.000 0.210 519 L C 2.746 179.694 176.870 0.130 0.000 1.081 519 L CA 1.080 55.988 54.840 0.113 0.000 0.752 519 L CB -0.448 41.664 42.059 0.089 0.000 0.896 519 L HN 0.216 nan 8.230 nan 0.000 0.433 520 R N 0.466 121.019 120.500 0.088 0.000 2.096 520 R HA -0.152 4.224 4.340 0.059 0.000 0.235 520 R C 2.130 178.492 176.300 0.103 0.000 1.127 520 R CA 1.226 57.373 56.100 0.078 0.000 0.968 520 R CB -0.372 29.964 30.300 0.060 0.000 0.861 520 R HN 0.457 nan 8.270 nan 0.000 0.440 521 K N 0.454 120.924 120.400 0.117 0.000 2.288 521 K HA 0.003 4.358 4.320 0.059 0.000 0.201 521 K C 1.822 178.512 176.600 0.150 0.000 1.048 521 K CA 0.737 57.099 56.287 0.125 0.000 0.956 521 K CB 0.077 32.656 32.500 0.131 0.000 0.746 521 K HN 0.145 nan 8.250 nan 0.000 0.461 522 L N 0.650 121.988 121.223 0.191 0.000 2.607 522 L HA 0.078 4.454 4.340 0.059 0.000 0.228 522 L C 0.409 177.492 176.870 0.353 0.000 1.123 522 L CA -0.311 54.679 54.840 0.249 0.000 0.890 522 L CB 0.285 42.492 42.059 0.246 0.000 1.103 522 L HN 0.031 nan 8.230 nan 0.000 0.468 523 S N -0.326 115.524 115.700 0.251 0.000 2.570 523 S HA 0.712 5.217 4.470 0.059 0.000 0.286 523 S C -0.701 173.961 174.600 0.102 0.000 1.099 523 S CA -0.756 57.537 58.200 0.154 0.000 0.913 523 S CB 3.007 66.160 63.200 -0.078 0.000 1.085 523 S HN 0.130 nan 8.310 nan 0.000 0.480 524 K N 1.143 121.590 120.400 0.078 0.000 2.584 524 K HA 0.106 4.461 4.320 0.059 0.000 0.260 524 K C -1.599 174.974 176.600 -0.046 0.000 0.949 524 K CA -0.431 55.890 56.287 0.056 0.000 0.888 524 K CB 1.048 33.585 32.500 0.060 0.000 1.330 524 K HN 0.966 nan 8.250 nan 0.000 0.432 525 H N 4.658 123.539 119.070 -0.316 0.000 3.034 525 H HA -0.082 4.510 4.556 0.059 0.000 0.324 525 H C 0.706 175.864 175.328 -0.285 0.000 1.015 525 H CA 1.484 57.170 56.048 -0.603 0.000 1.429 525 H CB 0.568 29.650 29.762 -1.134 0.000 1.429 525 H HN 0.700 nan 8.280 nan 0.000 0.585 526 Y N 4.399 124.401 120.300 -0.497 0.000 2.256 526 Y HA -0.143 4.443 4.550 0.059 0.000 0.288 526 Y C 1.732 177.606 175.900 -0.042 0.000 1.155 526 Y CA 1.088 59.063 58.100 -0.208 0.000 1.203 526 Y CB -0.137 38.191 38.460 -0.219 0.000 0.980 526 Y HN 0.386 nan 8.280 nan 0.000 0.530 527 K N 0.554 120.486 120.400 -0.780 0.000 2.015 527 K HA -0.089 4.266 4.320 0.059 0.000 0.215 527 K C 1.705 178.218 176.600 -0.146 0.000 1.027 527 K CA 1.291 57.292 56.287 -0.477 0.000 0.960 527 K CB -0.356 31.835 32.500 -0.515 0.000 0.798 527 K HN 0.492 nan 8.250 nan 0.000 0.447 528 D N -1.254 119.095 120.400 -0.085 0.000 2.347 528 D HA 0.026 4.701 4.640 0.059 0.000 0.215 528 D C 0.880 177.187 176.300 0.012 0.000 0.976 528 D CA 0.818 54.801 54.000 -0.029 0.000 0.884 528 D CB 0.164 40.955 40.800 -0.015 0.000 0.915 528 D HN 0.521 nan 8.370 nan 0.000 0.526 529 G N 0.670 109.469 108.800 -0.002 0.000 2.143 529 G HA2 -0.294 3.701 3.960 0.059 0.000 0.248 529 G HA3 -0.294 3.701 3.960 0.059 0.000 0.248 529 G C 0.204 175.125 174.900 0.035 0.000 0.991 529 G CA 0.234 45.337 45.100 0.005 0.000 0.689 529 G HN 0.867 nan 8.290 nan 0.000 0.522 530 H N 0.058 119.145 119.070 0.029 0.000 2.707 530 H HA 0.523 5.114 4.556 0.059 0.000 0.359 530 H C -2.130 173.316 175.328 0.198 0.000 1.113 530 H CA -1.126 54.961 56.048 0.066 0.000 1.422 530 H CB 1.173 30.942 29.762 0.010 0.000 1.443 530 H HN 0.274 nan 8.280 nan 0.000 0.591 531 P HA 0.153 nan 4.420 nan 0.000 0.274 531 P C 0.357 177.791 177.300 0.223 0.000 1.256 531 P CA -0.445 62.772 63.100 0.193 0.000 0.795 531 P CB 1.308 33.078 31.700 0.117 0.000 1.038 532 I N 0.650 121.178 120.570 -0.069 0.000 2.588 532 I HA 0.051 4.257 4.170 0.059 0.000 0.283 532 I C 1.454 177.479 176.117 -0.153 0.000 1.119 532 I CA -0.165 60.872 61.300 -0.439 0.000 1.419 532 I CB 0.313 37.980 38.000 -0.556 0.000 1.394 532 I HN 0.382 nan 8.210 nan 0.000 0.562 533 T N 0.682 115.167 114.554 -0.115 0.000 2.940 533 T HA 0.012 4.398 4.350 0.059 0.000 0.309 533 T C 0.730 175.400 174.700 -0.051 0.000 1.056 533 T CA -0.620 61.458 62.100 -0.036 0.000 1.137 533 T CB 0.815 69.675 68.868 -0.013 0.000 0.976 533 T HN 0.508 nan 8.240 nan 0.000 0.547 534 D N 0.612 120.999 120.400 -0.022 0.000 2.158 534 D HA -0.149 4.526 4.640 0.059 0.000 0.197 534 D C 1.861 178.150 176.300 -0.018 0.000 0.995 534 D CA 1.370 55.359 54.000 -0.017 0.000 0.846 534 D CB -0.168 40.630 40.800 -0.004 0.000 0.941 534 D HN 0.875 nan 8.370 nan 0.000 0.456 535 E N 0.418 120.609 120.200 -0.015 0.000 2.077 535 E HA -0.163 4.222 4.350 0.059 0.000 0.193 535 E C 2.141 178.733 176.600 -0.012 0.000 0.989 535 E CA 0.560 56.956 56.400 -0.008 0.000 0.800 535 E CB -0.237 29.461 29.700 -0.004 0.000 0.746 535 E HN 0.316 nan 8.360 nan 0.000 0.452 536 L N 0.522 121.722 121.223 -0.038 0.000 2.109 536 L HA -0.102 4.273 4.340 0.059 0.000 0.207 536 L C 2.611 179.443 176.870 -0.062 0.000 1.086 536 L CA 0.464 55.272 54.840 -0.055 0.000 0.760 536 L CB -0.093 41.898 42.059 -0.113 0.000 0.910 536 L HN 0.216 nan 8.230 nan 0.000 0.437 537 L N -0.555 120.626 121.223 -0.071 0.000 1.994 537 L HA -0.232 4.143 4.340 0.059 0.000 0.208 537 L C 2.695 179.555 176.870 -0.018 0.000 1.071 537 L CA 1.198 56.005 54.840 -0.055 0.000 0.745 537 L CB -0.641 41.391 42.059 -0.044 0.000 0.892 537 L HN 0.246 nan 8.230 nan 0.000 0.431 538 E N 0.235 120.433 120.200 -0.004 0.000 2.085 538 E HA -0.274 4.111 4.350 0.059 0.000 0.194 538 E C 2.078 178.698 176.600 0.033 0.000 0.994 538 E CA 1.244 57.654 56.400 0.016 0.000 0.801 538 E CB -0.185 29.527 29.700 0.019 0.000 0.743 538 E HN 0.394 nan 8.360 nan 0.000 0.453 539 K N 0.580 121.004 120.400 0.041 0.000 2.026 539 K HA -0.158 4.197 4.320 0.059 0.000 0.208 539 K C 2.294 178.913 176.600 0.031 0.000 1.048 539 K CA 0.847 57.189 56.287 0.091 0.000 0.929 539 K CB -0.172 32.383 32.500 0.091 0.000 0.713 539 K HN 0.020 nan 8.250 nan 0.000 0.439 540 L N 1.278 122.496 121.223 -0.008 0.000 1.989 540 L HA -0.165 4.211 4.340 0.059 0.000 0.211 540 L C 2.247 179.147 176.870 0.050 0.000 1.071 540 L CA 1.929 56.746 54.840 -0.039 0.000 0.749 540 L CB -0.706 41.275 42.059 -0.130 0.000 0.890 540 L HN 0.196 nan 8.230 nan 0.000 0.431 541 V N -2.119 117.837 119.914 0.069 0.000 2.515 541 V HA -0.044 4.112 4.120 0.059 0.000 0.250 541 V C 2.442 178.508 176.094 -0.048 0.000 1.058 541 V CA 1.388 63.778 62.300 0.149 0.000 1.064 541 V CB -1.709 30.182 31.823 0.113 0.000 0.675 541 V HN 0.456 nan 8.190 nan 0.000 0.461 542 A N 1.458 124.216 122.820 -0.102 0.000 2.067 542 A HA -0.077 4.278 4.320 0.059 0.000 0.219 542 A C 2.428 179.609 177.584 -0.672 0.000 1.158 542 A CA 1.884 53.806 52.037 -0.192 0.000 0.661 542 A CB -0.800 18.228 19.000 0.047 0.000 0.801 542 A HN 1.013 nan 8.150 nan 0.000 0.452 543 S N -0.885 114.308 115.700 -0.845 0.000 2.593 543 S HA 0.012 4.517 4.470 0.059 0.000 0.217 543 S C 1.696 175.923 174.600 -0.622 0.000 0.966 543 S CA 0.536 58.021 58.200 -1.192 0.000 0.914 543 S CB -0.351 62.430 63.200 -0.698 0.000 0.776 543 S HN 0.604 nan 8.310 nan 0.000 0.523 544 R N 1.200 121.326 120.500 -0.623 0.000 2.113 544 R HA 0.000 4.376 4.340 0.059 0.000 0.244 544 R C 1.417 177.335 176.300 -0.636 0.000 1.142 544 R CA 1.740 57.236 56.100 -1.007 0.000 0.953 544 R CB -0.425 29.117 30.300 -1.264 0.000 0.860 544 R HN 0.493 nan 8.270 nan 0.000 0.438 545 L N 1.605 122.553 121.223 -0.459 0.000 2.629 545 L HA 0.160 4.536 4.340 0.059 0.000 0.230 545 L C -0.175 176.581 176.870 -0.190 0.000 1.151 545 L CA -0.554 54.108 54.840 -0.297 0.000 0.924 545 L CB 0.728 42.638 42.059 -0.248 0.000 1.137 545 L HN -0.034 nan 8.230 nan 0.000 0.457 546 V N 1.865 121.668 119.914 -0.185 0.000 2.617 546 V HA -0.063 4.092 4.120 0.059 0.000 0.304 546 V C 0.974 177.040 176.094 -0.046 0.000 1.040 546 V CA 0.225 62.493 62.300 -0.054 0.000 1.149 546 V CB 0.161 31.991 31.823 0.011 0.000 0.914 546 V HN 0.662 nan 8.190 nan 0.000 0.487 547 N N 2.227 120.906 118.700 -0.037 0.000 2.778 547 N HA -0.206 4.570 4.740 0.059 0.000 0.249 547 N C 1.254 176.748 175.510 -0.027 0.000 1.069 547 N CA 1.356 54.392 53.050 -0.023 0.000 0.831 547 N CB -1.312 37.176 38.487 0.001 0.000 1.142 547 N HN 0.858 nan 8.380 nan 0.000 0.573 548 T N -0.908 113.614 114.554 -0.053 0.000 2.803 548 T HA -0.112 4.274 4.350 0.059 0.000 0.269 548 T C 1.995 176.681 174.700 -0.023 0.000 1.052 548 T CA 1.608 63.678 62.100 -0.050 0.000 1.136 548 T CB -0.375 68.432 68.868 -0.103 0.000 0.864 548 T HN 0.590 nan 8.240 nan 0.000 0.467 549 G N 1.921 110.703 108.800 -0.029 0.000 2.587 549 G HA2 -0.178 3.817 3.960 0.059 0.000 0.217 549 G HA3 -0.178 3.817 3.960 0.059 0.000 0.217 549 G C 1.426 176.331 174.900 0.008 0.000 1.240 549 G CA 0.706 45.799 45.100 -0.013 0.000 0.794 549 G HN 0.458 nan 8.290 nan 0.000 0.580 550 L N 0.055 121.282 121.223 0.007 0.000 2.083 550 L HA -0.009 4.366 4.340 0.059 0.000 0.209 550 L C 3.002 179.886 176.870 0.023 0.000 1.083 550 L CA 0.426 55.273 54.840 0.012 0.000 0.752 550 L CB -0.515 41.547 42.059 0.004 0.000 0.899 550 L HN 0.199 nan 8.230 nan 0.000 0.433 551 L N -0.615 120.624 121.223 0.026 0.000 1.989 551 L HA -0.217 4.158 4.340 0.059 0.000 0.211 551 L C 2.674 179.596 176.870 0.087 0.000 1.071 551 L CA 1.777 56.648 54.840 0.051 0.000 0.749 551 L CB -0.912 41.177 42.059 0.050 0.000 0.890 551 L HN 0.266 nan 8.230 nan 0.000 0.431 552 T N 0.164 114.770 114.554 0.086 0.000 2.746 552 T HA -0.148 4.237 4.350 0.059 0.000 0.267 552 T C 1.983 176.748 174.700 0.109 0.000 1.039 552 T CA 1.144 63.319 62.100 0.125 0.000 1.142 552 T CB -0.282 68.667 68.868 0.134 0.000 0.866 552 T HN 0.165 nan 8.240 nan 0.000 0.444 553 L N 0.540 121.806 121.223 0.072 0.000 2.079 553 L HA -0.103 4.273 4.340 0.059 0.000 0.210 553 L C 2.814 179.723 176.870 0.065 0.000 1.081 553 L CA 1.342 56.215 54.840 0.055 0.000 0.752 553 L CB -0.425 41.653 42.059 0.032 0.000 0.896 553 L HN 0.161 nan 8.230 nan 0.000 0.433 554 R N -0.501 120.042 120.500 0.072 0.000 2.096 554 R HA -0.165 4.211 4.340 0.059 0.000 0.235 554 R C 2.346 178.718 176.300 0.121 0.000 1.127 554 R CA 1.075 57.225 56.100 0.083 0.000 0.968 554 R CB 0.022 30.373 30.300 0.084 0.000 0.861 554 R HN 0.288 nan 8.270 nan 0.000 0.440 555 Q N 0.272 120.172 119.800 0.166 0.000 2.172 555 Q HA -0.073 4.302 4.340 0.059 0.000 0.200 555 Q C 2.127 178.277 176.000 0.250 0.000 0.964 555 Q CA 1.205 57.167 55.803 0.265 0.000 0.855 555 Q CB -0.001 28.913 28.738 0.293 0.000 0.918 555 Q HN 0.475 nan 8.270 nan 0.000 0.444 556 I N -0.202 120.463 120.570 0.159 0.000 2.315 556 I HA -0.208 3.997 4.170 0.059 0.000 0.248 556 I C 2.180 178.319 176.117 0.038 0.000 1.117 556 I CA 0.499 61.865 61.300 0.110 0.000 1.404 556 I CB -0.172 37.859 38.000 0.051 0.000 1.071 556 I HN -0.036 nan 8.210 nan 0.000 0.419 557 V N 1.291 121.223 119.914 0.030 0.000 2.255 557 V HA -0.303 3.852 4.120 0.059 0.000 0.247 557 V C 2.413 178.501 176.094 -0.010 0.000 1.051 557 V CA 1.871 64.169 62.300 -0.002 0.000 1.018 557 V CB -0.511 31.336 31.823 0.040 0.000 0.641 557 V HN 0.366 nan 8.190 nan 0.000 0.445 558 L N -0.240 120.970 121.223 -0.022 0.000 2.083 558 L HA -0.170 4.205 4.340 0.059 0.000 0.209 558 L C 2.595 179.417 176.870 -0.081 0.000 1.083 558 L CA 1.682 56.407 54.840 -0.191 0.000 0.752 558 L CB -0.659 41.083 42.059 -0.529 0.000 0.899 558 L HN 0.316 nan 8.230 nan 0.000 0.433 559 S N -0.517 115.244 115.700 0.103 0.000 2.382 559 S HA -0.123 4.382 4.470 0.059 0.000 0.228 559 S C 1.967 176.650 174.600 0.138 0.000 1.027 559 S CA 0.987 59.356 58.200 0.281 0.000 0.991 559 S CB -0.069 63.366 63.200 0.392 0.000 0.823 559 S HN 0.305 nan 8.310 nan 0.000 0.469 560 K N 1.125 121.490 120.400 -0.058 0.000 2.057 560 K HA 0.065 4.420 4.320 0.059 0.000 0.206 560 K C 2.168 178.687 176.600 -0.134 0.000 1.050 560 K CA 0.731 56.842 56.287 -0.293 0.000 0.935 560 K CB -0.961 30.949 32.500 -0.982 0.000 0.715 560 K HN 0.260 nan 8.250 nan 0.000 0.439 561 V N 2.057 121.971 119.914 0.001 0.000 2.287 561 V HA -0.276 3.880 4.120 0.059 0.000 0.248 561 V C 2.228 178.469 176.094 0.246 0.000 1.053 561 V CA 2.242 64.673 62.300 0.218 0.000 1.027 561 V CB -0.543 31.435 31.823 0.259 0.000 0.646 561 V HN 0.337 nan 8.190 nan 0.000 0.447 562 D N -0.744 119.824 120.400 0.279 0.000 2.092 562 D HA -0.203 4.472 4.640 0.059 0.000 0.193 562 D C 2.261 178.809 176.300 0.413 0.000 0.994 562 D CA 1.423 55.645 54.000 0.369 0.000 0.828 562 D CB -0.079 40.943 40.800 0.369 0.000 0.963 562 D HN 0.309 nan 8.370 nan 0.000 0.450 563 Q N 0.110 120.078 119.800 0.279 0.000 2.050 563 Q HA -0.111 4.265 4.340 0.059 0.000 0.202 563 Q C 2.363 178.498 176.000 0.225 0.000 0.980 563 Q CA 1.091 57.033 55.803 0.232 0.000 0.840 563 Q CB -0.956 27.856 28.738 0.123 0.000 0.898 563 Q HN 0.250 nan 8.270 nan 0.000 0.424 564 S N 0.561 116.377 115.700 0.194 0.000 2.359 564 S HA -0.103 4.402 4.470 0.059 0.000 0.223 564 S C 1.915 176.588 174.600 0.122 0.000 1.039 564 S CA 0.940 59.252 58.200 0.187 0.000 1.042 564 S CB -0.228 63.139 63.200 0.279 0.000 0.915 564 S HN 0.339 nan 8.310 nan 0.000 0.439 565 L N -0.008 121.260 121.223 0.074 0.000 2.549 565 L HA -0.057 4.319 4.340 0.059 0.000 0.230 565 L C 1.134 177.797 176.870 -0.346 0.000 1.162 565 L CA 1.070 55.830 54.840 -0.134 0.000 0.834 565 L CB -0.461 41.469 42.059 -0.216 0.000 0.947 565 L HN 0.451 nan 8.230 nan 0.000 0.452 566 H N -3.128 116.007 119.070 0.108 0.000 2.784 566 H HA 0.118 4.709 4.556 0.058 0.000 0.273 566 H C 1.529 176.935 175.328 0.129 0.000 1.112 566 H CA 0.164 56.295 56.048 0.138 0.000 1.162 566 H CB 0.670 30.558 29.762 0.210 0.000 1.586 566 H HN -0.025 nan 8.280 nan 0.000 0.548 567 T N -0.857 113.798 114.554 0.169 0.000 3.000 567 T HA 0.111 4.497 4.350 0.059 0.000 0.248 567 T C 0.943 175.700 174.700 0.095 0.000 1.034 567 T CA 0.117 62.297 62.100 0.133 0.000 1.060 567 T CB 0.452 69.393 68.868 0.121 0.000 0.983 567 T HN 0.215 nan 8.240 nan 0.000 0.482 568 N N -0.404 118.338 118.700 0.071 0.000 3.178 568 N HA 0.723 5.498 4.740 0.059 0.000 0.352 568 N C 0.526 176.046 175.510 0.016 0.000 1.423 568 N CA 0.367 53.444 53.050 0.044 0.000 0.698 568 N CB 1.649 40.162 38.487 0.043 0.000 1.400 568 N HN 0.187 nan 8.380 nan 0.000 0.586 569 A N -1.334 121.487 122.820 0.003 0.000 1.920 569 A HA -0.041 4.314 4.320 0.059 0.000 0.204 569 A C 0.958 178.536 177.584 -0.010 0.000 1.850 569 A CA 0.741 52.768 52.037 -0.017 0.000 1.593 569 A CB -1.183 17.811 19.000 -0.011 0.000 1.470 569 A HN 0.552 nan 8.150 nan 0.000 0.377 570 T N -0.368 114.186 114.554 0.001 0.000 3.308 570 T HA 0.349 4.735 4.350 0.059 0.000 0.255 570 T C 0.403 175.107 174.700 0.006 0.000 1.162 570 T CA 0.647 62.749 62.100 0.003 0.000 1.031 570 T CB -0.650 68.223 68.868 0.007 0.000 0.973 570 T HN 0.376 nan 8.240 nan 0.000 0.544 571 L N 2.115 123.342 121.223 0.007 0.000 2.350 571 L HA 0.483 4.859 4.340 0.059 0.000 0.275 571 L C -0.269 176.610 176.870 0.015 0.000 1.099 571 L CA -0.440 54.408 54.840 0.014 0.000 0.808 571 L CB 1.214 43.288 42.059 0.025 0.000 1.149 571 L HN 0.053 nan 8.230 nan 0.000 0.442 572 D N 3.409 123.821 120.400 0.020 0.000 2.339 572 D HA 0.298 4.974 4.640 0.059 0.000 0.241 572 D C 0.890 177.216 176.300 0.044 0.000 1.183 572 D CA 0.452 54.468 54.000 0.026 0.000 0.859 572 D CB 1.645 42.458 40.800 0.022 0.000 1.067 572 D HN 0.685 nan 8.370 nan 0.000 0.484 573 A N 4.499 127.350 122.820 0.051 0.000 1.884 573 A HA -0.173 4.183 4.320 0.059 0.000 0.219 573 A C 2.151 179.800 177.584 0.108 0.000 1.197 573 A CA 2.292 54.376 52.037 0.078 0.000 0.637 573 A CB -0.939 18.103 19.000 0.070 0.000 0.827 573 A HN 0.681 nan 8.150 nan 0.000 0.450 574 A N 0.177 123.051 122.820 0.089 0.000 1.865 574 A HA -0.152 4.203 4.320 0.059 0.000 0.217 574 A C 2.547 180.207 177.584 0.127 0.000 1.191 574 A CA 2.845 54.952 52.037 0.116 0.000 0.623 574 A CB -1.188 17.860 19.000 0.080 0.000 0.826 574 A HN 1.101 nan 8.150 nan 0.000 0.444 575 S N -0.336 115.404 115.700 0.068 0.000 2.382 575 S HA -0.194 4.311 4.470 0.059 0.000 0.228 575 S C 1.771 176.371 174.600 -0.001 0.000 1.027 575 S CA 1.547 59.762 58.200 0.025 0.000 0.991 575 S CB -0.383 62.819 63.200 0.003 0.000 0.823 575 S HN 0.552 nan 8.310 nan 0.000 0.469 576 E N 0.956 121.176 120.200 0.034 0.000 2.077 576 E HA -0.153 4.233 4.350 0.059 0.000 0.193 576 E C 1.799 178.445 176.600 0.076 0.000 0.989 576 E CA 1.330 57.736 56.400 0.011 0.000 0.800 576 E CB -0.620 29.150 29.700 0.117 0.000 0.746 576 E HN 0.722 nan 8.360 nan 0.000 0.452 577 Y N 0.190 120.521 120.300 0.052 0.000 2.200 577 Y HA -0.091 4.494 4.550 0.059 0.000 0.290 577 Y C 1.983 177.900 175.900 0.028 0.000 1.137 577 Y CA 1.712 59.856 58.100 0.073 0.000 1.163 577 Y CB -0.743 37.724 38.460 0.011 0.000 0.988 577 Y HN 0.088 nan 8.280 nan 0.000 0.518 578 A N 0.886 123.645 122.820 -0.101 0.000 1.902 578 A HA -0.193 4.162 4.320 0.059 0.000 0.217 578 A C 2.371 179.834 177.584 -0.201 0.000 1.181 578 A CA 1.830 53.752 52.037 -0.192 0.000 0.623 578 A CB -0.805 18.161 19.000 -0.058 0.000 0.818 578 A HN 0.475 nan 8.150 nan 0.000 0.443 579 K N -1.204 119.076 120.400 -0.198 0.000 2.001 579 K HA -0.229 4.126 4.320 0.059 0.000 0.214 579 K C 1.878 178.320 176.600 -0.262 0.000 1.050 579 K CA 2.228 58.352 56.287 -0.272 0.000 0.934 579 K CB -0.450 31.794 32.500 -0.426 0.000 0.718 579 K HN 0.523 nan 8.250 nan 0.000 0.443 580 Y N 0.660 120.905 120.300 -0.092 0.000 2.274 580 Y HA -0.220 4.365 4.550 0.058 0.000 0.290 580 Y C 2.737 178.549 175.900 -0.147 0.000 1.145 580 Y CA 0.706 58.754 58.100 -0.087 0.000 1.203 580 Y CB -0.910 37.524 38.460 -0.044 0.000 0.984 580 Y HN 0.210 nan 8.280 nan 0.000 0.533 581 C N -0.154 119.060 119.300 -0.143 0.000 2.413 581 C HA -0.235 4.260 4.460 0.059 0.000 0.276 581 C C 2.902 177.819 174.990 -0.123 0.000 1.236 581 C CA 2.151 61.035 59.018 -0.223 0.000 1.735 581 C CB -1.346 26.124 27.740 -0.451 0.000 2.031 581 C HN 0.732 nan 8.230 nan 0.000 0.474 582 T N -1.280 113.204 114.554 -0.116 0.000 2.896 582 T HA -0.092 4.293 4.350 0.059 0.000 0.263 582 T C 1.454 176.127 174.700 -0.046 0.000 1.050 582 T CA 1.397 63.450 62.100 -0.080 0.000 1.140 582 T CB -0.395 68.425 68.868 -0.080 0.000 0.877 582 T HN 0.638 nan 8.240 nan 0.000 0.457 583 E N 0.673 120.854 120.200 -0.031 0.000 2.107 583 E HA 0.110 4.496 4.350 0.059 0.000 0.191 583 E C 2.018 178.637 176.600 0.031 0.000 0.982 583 E CA 0.990 57.392 56.400 0.003 0.000 0.809 583 E CB -0.053 29.656 29.700 0.015 0.000 0.756 583 E HN 0.568 nan 8.360 nan 0.000 0.459 584 I N -0.403 120.198 120.570 0.051 0.000 3.039 584 I HA -0.061 4.145 4.170 0.059 0.000 0.270 584 I C 1.984 178.112 176.117 0.018 0.000 1.150 584 I CA 0.075 61.403 61.300 0.047 0.000 1.448 584 I CB 0.210 38.254 38.000 0.074 0.000 1.197 584 I HN 0.072 nan 8.210 nan 0.000 0.450 585 L N 1.162 122.386 121.223 0.001 0.000 2.127 585 L HA 0.260 4.636 4.340 0.059 0.000 0.203 585 L C 1.525 178.382 176.870 -0.022 0.000 1.080 585 L CA 2.101 56.934 54.840 -0.012 0.000 0.768 585 L CB -0.449 41.593 42.059 -0.029 0.000 0.924 585 L HN 0.403 nan 8.230 nan 0.000 0.444 586 G N -1.163 107.616 108.800 -0.036 0.000 2.176 586 G HA2 -0.185 3.810 3.960 0.059 0.000 0.232 586 G HA3 -0.185 3.810 3.960 0.059 0.000 0.232 586 G C -0.004 174.860 174.900 -0.060 0.000 0.986 586 G CA 0.092 45.167 45.100 -0.041 0.000 0.643 586 G HN 0.349 nan 8.290 nan 0.000 0.522 587 V N 1.197 121.068 119.914 -0.071 0.000 2.376 587 V HA 0.783 4.939 4.120 0.059 0.000 0.287 587 V C 0.785 176.813 176.094 -0.109 0.000 1.015 587 V CA -0.599 61.646 62.300 -0.091 0.000 0.834 587 V CB 1.122 32.900 31.823 -0.074 0.000 1.001 587 V HN 1.165 nan 8.190 nan 0.000 0.428 588 A N 3.985 126.737 122.820 -0.114 0.000 2.483 588 A HA 0.669 5.024 4.320 0.059 0.000 0.238 588 A C 0.754 178.285 177.584 -0.089 0.000 1.070 588 A CA 0.436 52.409 52.037 -0.107 0.000 0.770 588 A CB 0.342 19.292 19.000 -0.083 0.000 1.008 588 A HN 1.416 nan 8.150 nan 0.000 0.497 589 A N 2.165 124.927 122.820 -0.097 0.000 2.363 589 A HA 0.537 4.892 4.320 0.059 0.000 0.270 589 A C 0.690 178.325 177.584 0.085 0.000 1.121 589 A CA -0.182 51.850 52.037 -0.008 0.000 0.800 589 A CB -0.298 18.650 19.000 -0.086 0.000 1.052 589 A HN 0.895 nan 8.150 nan 0.000 0.493 590 T N 5.184 119.850 114.554 0.185 0.000 2.829 590 T HA 0.254 4.640 4.350 0.059 0.000 0.293 590 T C -2.325 172.484 174.700 0.183 0.000 0.970 590 T CA 0.115 62.358 62.100 0.238 0.000 1.168 590 T CB -0.104 68.991 68.868 0.379 0.000 0.911 590 T HN 0.432 nan 8.240 nan 0.000 0.535 591 P HA 0.252 nan 4.420 nan 0.000 0.267 591 P C 1.055 178.420 177.300 0.108 0.000 1.209 591 P CA 0.732 63.896 63.100 0.107 0.000 0.763 591 P CB 0.434 32.186 31.700 0.087 0.000 0.816 592 G N 1.726 110.580 108.800 0.090 0.000 2.259 592 G HA2 -0.203 3.792 3.960 0.059 0.000 0.217 592 G HA3 -0.203 3.792 3.960 0.059 0.000 0.217 592 G C 0.405 175.356 174.900 0.085 0.000 1.001 592 G CA 0.203 45.350 45.100 0.077 0.000 0.627 592 G HN 0.759 nan 8.290 nan 0.000 0.501 593 T N -1.411 113.213 114.554 0.116 0.000 2.847 593 T HA 0.616 5.002 4.350 0.059 0.000 0.279 593 T C -0.008 174.738 174.700 0.077 0.000 0.984 593 T CA 0.056 62.228 62.100 0.120 0.000 0.988 593 T CB 2.054 71.039 68.868 0.196 0.000 1.040 593 T HN 0.357 nan 8.240 nan 0.000 0.528 594 N N 1.382 120.099 118.700 0.028 0.000 2.716 594 N HA 0.082 4.857 4.740 0.059 0.000 0.245 594 N C 0.774 176.207 175.510 -0.129 0.000 1.495 594 N CA -0.416 52.620 53.050 -0.022 0.000 0.759 594 N CB 0.873 39.360 38.487 -0.001 0.000 1.261 594 N HN 0.726 nan 8.380 nan 0.000 0.515 595 M N 1.884 121.282 119.600 -0.336 0.000 2.073 595 M HA -0.030 4.486 4.480 0.059 0.000 0.258 595 M C -1.167 174.913 176.300 -0.367 0.000 1.070 595 M CA 2.144 57.085 55.300 -0.598 0.000 1.103 595 M CB -1.481 30.324 32.600 -1.325 0.000 1.321 595 M HN 0.112 nan 8.290 nan 0.000 0.405 596 P HA -0.116 nan 4.420 nan 0.000 0.217 596 P C 0.906 178.336 177.300 0.216 0.000 1.148 596 P CA 2.259 65.361 63.100 0.003 0.000 0.834 596 P CB -0.389 31.328 31.700 0.028 0.000 0.783 597 A N -1.119 121.771 122.820 0.116 0.000 2.239 597 A HA -0.034 4.321 4.320 0.059 0.000 0.209 597 A C 1.767 179.357 177.584 0.009 0.000 1.171 597 A CA 1.703 53.829 52.037 0.148 0.000 0.768 597 A CB -1.240 17.772 19.000 0.019 0.000 0.790 597 A HN 0.337 nan 8.150 nan 0.000 0.478 598 T N -5.340 109.254 114.554 0.065 0.000 3.040 598 T HA 0.276 4.661 4.350 0.059 0.000 0.266 598 T C 0.281 175.136 174.700 0.258 0.000 1.005 598 T CA -0.346 61.752 62.100 -0.003 0.000 0.906 598 T CB -0.591 68.193 68.868 -0.140 0.000 1.082 598 T HN 0.280 nan 8.240 nan 0.000 0.531 599 F N 2.885 122.952 119.950 0.195 0.000 2.651 599 F HA 0.411 4.974 4.527 0.060 0.000 0.347 599 F C 1.696 177.678 175.800 0.302 0.000 1.284 599 F CA -0.966 57.147 58.000 0.187 0.000 1.175 599 F CB 0.089 39.131 39.000 0.070 0.000 1.542 599 F HN 0.304 nan 8.300 nan 0.000 0.661 600 G N 2.381 111.461 108.800 0.466 0.000 2.517 600 G HA2 -0.393 3.603 3.960 0.059 0.000 0.222 600 G HA3 -0.393 3.603 3.960 0.059 0.000 0.222 600 G C 1.339 176.235 174.900 -0.007 0.000 1.109 600 G CA 1.131 46.417 45.100 0.309 0.000 0.746 600 G HN 0.776 nan 8.290 nan 0.000 0.576 601 H N 0.412 119.287 119.070 -0.325 0.000 2.387 601 H HA 0.020 4.612 4.556 0.059 0.000 0.299 601 H C 2.431 177.402 175.328 -0.595 0.000 1.099 601 H CA 1.485 57.189 56.048 -0.573 0.000 1.315 601 H CB -0.176 29.035 29.762 -0.917 0.000 1.380 601 H HN 0.331 nan 8.280 nan 0.000 0.513 602 L N -0.219 120.564 121.223 -0.734 0.000 1.961 602 L HA -0.158 4.218 4.340 0.059 0.000 0.210 602 L C 2.765 179.318 176.870 -0.528 0.000 1.072 602 L CA 1.060 55.557 54.840 -0.572 0.000 0.749 602 L CB -1.039 40.727 42.059 -0.487 0.000 0.889 602 L HN 0.449 nan 8.230 nan 0.000 0.432 603 A N 0.215 122.613 122.820 -0.704 0.000 2.125 603 A HA 0.010 4.365 4.320 0.059 0.000 0.199 603 A C 1.324 178.743 177.584 -0.275 0.000 1.193 603 A CA 1.210 52.934 52.037 -0.522 0.000 0.747 603 A CB -1.511 17.155 19.000 -0.555 0.000 0.853 603 A HN 0.368 nan 8.150 nan 0.000 0.513 604 G N -2.852 105.851 108.800 -0.162 0.000 2.503 604 G HA2 0.569 4.564 3.960 0.059 0.000 0.257 604 G HA3 0.569 4.564 3.960 0.059 0.000 0.257 604 G C 0.539 175.374 174.900 -0.108 0.000 1.214 604 G CA 0.382 45.433 45.100 -0.083 0.000 0.839 604 G HN 2.005 nan 8.290 nan 0.000 0.559 605 G N 0.012 108.789 108.800 -0.039 0.000 2.460 605 G HA2 0.125 4.120 3.960 0.059 0.000 0.207 605 G HA3 0.125 4.120 3.960 0.059 0.000 0.207 605 G C -0.296 174.641 174.900 0.062 0.000 1.170 605 G CA 0.138 45.264 45.100 0.044 0.000 1.151 605 G HN 1.847 nan 8.290 nan 0.000 0.575 606 Y N 1.925 122.105 120.300 -0.200 0.000 2.836 606 Y HA 0.570 5.155 4.550 0.058 0.000 0.359 606 Y C 0.276 175.994 175.900 -0.304 0.000 1.060 606 Y CA -1.959 56.045 58.100 -0.159 0.000 1.161 606 Y CB -0.705 37.735 38.460 -0.033 0.000 1.225 606 Y HN 0.546 nan 8.280 nan 0.000 0.621 607 D N 0.209 120.340 120.400 -0.448 0.000 2.443 607 D HA 0.289 4.964 4.640 0.059 0.000 0.239 607 D C 1.207 177.274 176.300 -0.388 0.000 1.136 607 D CA 0.614 54.300 54.000 -0.523 0.000 0.879 607 D CB 1.545 42.142 40.800 -0.338 0.000 1.195 607 D HN 0.865 nan 8.370 nan 0.000 0.443 608 G N 2.225 110.816 108.800 -0.349 0.000 2.179 608 G HA2 -0.316 3.680 3.960 0.059 0.000 0.260 608 G HA3 -0.316 3.680 3.960 0.059 0.000 0.260 608 G C 0.559 175.546 174.900 0.145 0.000 0.977 608 G CA 0.436 45.427 45.100 -0.182 0.000 0.641 608 G HN 0.592 nan 8.290 nan 0.000 0.533 609 Q N -1.521 118.417 119.800 0.230 0.000 2.127 609 Q HA 0.309 4.685 4.340 0.059 0.000 0.222 609 Q C 1.378 177.451 176.000 0.122 0.000 0.794 609 Q CA -0.399 55.544 55.803 0.233 0.000 1.010 609 Q CB 0.440 29.330 28.738 0.255 0.000 1.170 609 Q HN 0.492 nan 8.270 nan 0.000 0.479 610 Y N 1.016 121.378 120.300 0.103 0.000 2.241 610 Y HA -0.348 4.237 4.550 0.058 0.000 0.286 610 Y C 2.048 177.950 175.900 0.003 0.000 1.166 610 Y CA 2.068 60.083 58.100 -0.143 0.000 1.203 610 Y CB -0.006 38.273 38.460 -0.301 0.000 0.977 610 Y HN 0.365 nan 8.280 nan 0.000 0.529 611 Y N -2.105 118.335 120.300 0.233 0.000 2.497 611 Y HA 0.076 4.661 4.550 0.058 0.000 0.292 611 Y C 2.232 178.221 175.900 0.149 0.000 1.137 611 Y CA 0.531 58.766 58.100 0.225 0.000 1.285 611 Y CB -1.286 37.286 38.460 0.188 0.000 0.991 611 Y HN -0.017 nan 8.280 nan 0.000 0.556 612 G N 0.385 108.533 108.800 -1.087 0.000 2.503 612 G HA2 -0.390 3.606 3.960 0.059 0.000 0.221 612 G HA3 -0.390 3.606 3.960 0.059 0.000 0.221 612 G C 1.436 176.242 174.900 -0.155 0.000 1.131 612 G CA 1.332 45.992 45.100 -0.733 0.000 0.756 612 G HN 0.561 nan 8.290 nan 0.000 0.572 613 Y N 0.107 120.296 120.300 -0.186 0.000 2.163 613 Y HA 0.020 4.605 4.550 0.058 0.000 0.288 613 Y C 2.595 178.497 175.900 0.004 0.000 1.136 613 Y CA 1.200 59.255 58.100 -0.076 0.000 1.147 613 Y CB -0.280 38.114 38.460 -0.112 0.000 0.987 613 Y HN 0.143 nan 8.280 nan 0.000 0.509 614 L N -0.516 120.798 121.223 0.153 0.000 2.093 614 L HA -0.203 4.172 4.340 0.059 0.000 0.208 614 L C 2.303 179.228 176.870 0.092 0.000 1.085 614 L CA 1.566 56.504 54.840 0.163 0.000 0.755 614 L CB -1.002 41.254 42.059 0.328 0.000 0.904 614 L HN 0.543 nan 8.230 nan 0.000 0.435 615 W N -0.606 120.588 121.300 -0.176 0.000 2.358 615 W HA -0.202 4.496 4.660 0.062 0.000 0.303 615 W C 2.191 178.307 176.519 -0.672 0.000 1.208 615 W CA 1.549 58.532 57.345 -0.604 0.000 1.274 615 W CB -0.230 28.905 29.460 -0.541 0.000 1.138 615 W HN 0.154 nan 8.180 nan 0.000 0.515 616 S N 0.297 115.848 115.700 -0.247 0.000 2.383 616 S HA -0.215 4.291 4.470 0.059 0.000 0.227 616 S C 1.591 176.016 174.600 -0.292 0.000 1.026 616 S CA 1.582 59.612 58.200 -0.283 0.000 0.981 616 S CB -0.378 62.690 63.200 -0.220 0.000 0.818 616 S HN 0.372 nan 8.310 nan 0.000 0.472 617 E N 0.729 120.760 120.200 -0.282 0.000 2.110 617 E HA -0.133 4.253 4.350 0.059 0.000 0.193 617 E C 1.874 178.435 176.600 -0.066 0.000 0.988 617 E CA 1.097 57.417 56.400 -0.133 0.000 0.804 617 E CB -0.013 29.678 29.700 -0.017 0.000 0.745 617 E HN 0.266 nan 8.360 nan 0.000 0.458 618 V N 0.629 120.336 119.914 -0.346 0.000 2.287 618 V HA -0.274 3.881 4.120 0.059 0.000 0.248 618 V C 2.058 178.179 176.094 0.044 0.000 1.053 618 V CA 1.943 64.068 62.300 -0.292 0.000 1.027 618 V CB -0.652 30.853 31.823 -0.530 0.000 0.646 618 V HN 0.356 nan 8.190 nan 0.000 0.447 619 F N 1.028 120.883 119.950 -0.159 0.000 2.084 619 F HA -0.211 4.351 4.527 0.058 0.000 0.296 619 F C 2.895 178.709 175.800 0.022 0.000 1.111 619 F CA 1.186 59.140 58.000 -0.076 0.000 1.224 619 F CB -0.574 38.355 39.000 -0.118 0.000 0.991 619 F HN 0.322 nan 8.300 nan 0.000 0.471 620 S N 0.414 116.224 115.700 0.184 0.000 2.370 620 S HA -0.296 4.209 4.470 0.059 0.000 0.226 620 S C 1.812 176.547 174.600 0.226 0.000 1.033 620 S CA 1.359 59.638 58.200 0.131 0.000 1.011 620 S CB -0.687 62.520 63.200 0.011 0.000 0.852 620 S HN 0.271 nan 8.310 nan 0.000 0.457 621 M N 2.337 122.095 119.600 0.264 0.000 2.159 621 M HA -0.027 4.489 4.480 0.059 0.000 0.263 621 M C 1.688 178.260 176.300 0.453 0.000 1.063 621 M CA 1.576 57.118 55.300 0.403 0.000 1.110 621 M CB -0.921 31.942 32.600 0.438 0.000 1.374 621 M HN 0.318 nan 8.290 nan 0.000 0.411 622 D N -0.714 119.895 120.400 0.349 0.000 2.117 622 D HA -0.147 4.529 4.640 0.059 0.000 0.198 622 D C 1.943 178.433 176.300 0.316 0.000 0.982 622 D CA 1.425 55.605 54.000 0.300 0.000 0.828 622 D CB -0.041 40.908 40.800 0.249 0.000 0.967 622 D HN 0.367 nan 8.370 nan 0.000 0.464 623 M N -0.879 118.941 119.600 0.365 0.000 2.099 623 M HA -0.108 4.408 4.480 0.059 0.000 0.262 623 M C 2.068 178.685 176.300 0.529 0.000 1.067 623 M CA 0.939 56.543 55.300 0.507 0.000 1.124 623 M CB -0.343 32.569 32.600 0.520 0.000 1.353 623 M HN 0.022 nan 8.290 nan 0.000 0.410 624 F N 0.721 120.821 119.950 0.249 0.000 2.069 624 F HA -0.273 4.290 4.527 0.059 0.000 0.298 624 F C 2.558 178.339 175.800 -0.032 0.000 1.113 624 F CA 1.828 59.870 58.000 0.070 0.000 1.214 624 F CB -0.513 38.353 39.000 -0.223 0.000 0.978 624 F HN 0.185 nan 8.300 nan 0.000 0.474 625 H N -1.097 117.997 119.070 0.039 0.000 2.307 625 H HA -0.013 4.578 4.556 0.059 0.000 0.303 625 H C 2.428 177.707 175.328 -0.081 0.000 1.073 625 H CA 1.607 57.592 56.048 -0.105 0.000 1.338 625 H CB -0.661 29.112 29.762 0.018 0.000 1.389 625 H HN 0.220 nan 8.280 nan 0.000 0.503 626 S N -0.207 115.570 115.700 0.129 0.000 2.423 626 S HA -0.094 4.411 4.470 0.059 0.000 0.231 626 S C 2.290 176.867 174.600 -0.039 0.000 1.014 626 S CA 1.013 59.240 58.200 0.044 0.000 0.965 626 S CB 0.024 63.262 63.200 0.064 0.000 0.785 626 S HN 0.400 nan 8.310 nan 0.000 0.495 627 C N -0.651 118.634 119.300 -0.025 0.000 2.374 627 C HA 0.384 4.879 4.460 0.059 0.000 0.412 627 C C 2.025 176.879 174.990 -0.227 0.000 1.421 627 C CA -0.509 58.409 59.018 -0.166 0.000 2.484 627 C CB -1.280 26.306 27.740 -0.256 0.000 2.598 627 C HN 0.511 nan 8.230 nan 0.000 0.584 628 F N 1.826 121.686 119.950 -0.150 0.000 2.206 628 F HA -0.022 4.540 4.527 0.059 0.000 0.298 628 F C 2.351 177.899 175.800 -0.420 0.000 1.090 628 F CA 1.300 59.153 58.000 -0.245 0.000 1.323 628 F CB -0.292 38.540 39.000 -0.281 0.000 1.028 628 F HN 0.024 nan 8.300 nan 0.000 0.492 629 K N 0.722 120.871 120.400 -0.418 0.000 2.103 629 K HA -0.130 4.226 4.320 0.059 0.000 0.204 629 K C 2.006 178.487 176.600 -0.199 0.000 1.052 629 K CA 1.031 57.079 56.287 -0.399 0.000 0.945 629 K CB -0.221 32.018 32.500 -0.435 0.000 0.722 629 K HN 0.059 nan 8.250 nan 0.000 0.443 630 K N 0.460 120.765 120.400 -0.158 0.000 2.002 630 K HA -0.126 4.230 4.320 0.059 0.000 0.209 630 K C 1.086 177.622 176.600 -0.107 0.000 1.048 630 K CA 1.513 57.732 56.287 -0.113 0.000 0.930 630 K CB 0.126 32.561 32.500 -0.108 0.000 0.714 630 K HN 0.018 nan 8.250 nan 0.000 0.438 631 E N -0.339 119.786 120.200 -0.124 0.000 2.474 631 E HA 0.104 4.489 4.350 0.059 0.000 0.194 631 E C 0.144 176.705 176.600 -0.065 0.000 1.041 631 E CA 0.647 56.987 56.400 -0.100 0.000 0.874 631 E CB 0.885 30.507 29.700 -0.131 0.000 0.914 631 E HN 0.498 nan 8.360 nan 0.000 0.498 632 G N 2.341 111.100 108.800 -0.068 0.000 3.434 632 G HA2 -0.179 3.817 3.960 0.059 0.000 0.686 632 G HA3 -0.179 3.817 3.960 0.059 0.000 0.686 632 G C 0.495 175.415 174.900 0.034 0.000 1.099 632 G CA -0.128 44.954 45.100 -0.031 0.000 0.931 632 G HN 0.260 nan 8.290 nan 0.000 0.520 633 I N -0.134 120.441 120.570 0.007 0.000 2.953 633 I HA 0.053 4.258 4.170 0.059 0.000 0.271 633 I C 1.419 177.775 176.117 0.399 0.000 1.286 633 I CA 1.141 62.522 61.300 0.134 0.000 1.449 633 I CB -0.202 37.631 38.000 -0.279 0.000 1.086 633 I HN 0.384 nan 8.210 nan 0.000 0.483 634 M N 0.719 120.481 119.600 0.269 0.000 2.347 634 M HA 0.220 4.735 4.480 0.059 0.000 0.302 634 M C 0.294 176.714 176.300 0.199 0.000 1.051 634 M CA -0.159 55.309 55.300 0.280 0.000 0.988 634 M CB -0.970 31.753 32.600 0.205 0.000 1.475 634 M HN 0.290 nan 8.290 nan 0.000 0.530 635 N N 4.190 122.990 118.700 0.167 0.000 2.434 635 N HA -0.005 4.771 4.740 0.059 0.000 0.268 635 N C -1.707 173.868 175.510 0.107 0.000 1.256 635 N CA -0.574 52.532 53.050 0.093 0.000 0.914 635 N CB 1.469 39.974 38.487 0.030 0.000 1.088 635 N HN 0.088 nan 8.380 nan 0.000 0.478 636 P HA -0.132 nan 4.420 nan 0.000 0.218 636 P C 0.571 177.915 177.300 0.073 0.000 1.148 636 P CA 1.233 64.385 63.100 0.087 0.000 0.822 636 P CB 0.517 32.254 31.700 0.063 0.000 0.784 637 E N 0.096 120.319 120.200 0.038 0.000 2.038 637 E HA -0.114 4.271 4.350 0.059 0.000 0.195 637 E C 2.201 178.809 176.600 0.012 0.000 1.000 637 E CA 0.999 57.410 56.400 0.018 0.000 0.803 637 E CB -1.445 28.247 29.700 -0.013 0.000 0.750 637 E HN 0.046 nan 8.360 nan 0.000 0.448 638 V N 0.359 120.246 119.914 -0.045 0.000 2.427 638 V HA -0.166 3.990 4.120 0.059 0.000 0.248 638 V C 2.208 178.315 176.094 0.021 0.000 1.051 638 V CA 1.850 64.061 62.300 -0.147 0.000 1.048 638 V CB -1.115 30.432 31.823 -0.459 0.000 0.666 638 V HN 0.412 nan 8.190 nan 0.000 0.456 639 G N -0.365 108.529 108.800 0.158 0.000 2.446 639 G HA2 -0.365 3.630 3.960 0.059 0.000 0.217 639 G HA3 -0.365 3.630 3.960 0.059 0.000 0.217 639 G C 1.575 176.662 174.900 0.312 0.000 1.168 639 G CA 1.433 46.751 45.100 0.362 0.000 0.771 639 G HN 0.426 nan 8.290 nan 0.000 0.551 640 M N 0.702 120.419 119.600 0.194 0.000 2.159 640 M HA 0.097 4.612 4.480 0.059 0.000 0.263 640 M C 2.341 178.745 176.300 0.174 0.000 1.063 640 M CA 1.495 56.888 55.300 0.155 0.000 1.110 640 M CB -0.271 32.389 32.600 0.100 0.000 1.374 640 M HN 0.177 nan 8.290 nan 0.000 0.411 641 K N -1.614 118.914 120.400 0.213 0.000 2.097 641 K HA -0.192 4.163 4.320 0.059 0.000 0.205 641 K C 1.998 178.837 176.600 0.397 0.000 1.050 641 K CA 1.638 58.090 56.287 0.274 0.000 0.938 641 K CB -0.591 32.056 32.500 0.245 0.000 0.718 641 K HN 0.417 nan 8.250 nan 0.000 0.442 642 Y N 2.086 122.571 120.300 0.308 0.000 2.145 642 Y HA -0.207 4.378 4.550 0.059 0.000 0.286 642 Y C 2.426 178.318 175.900 -0.012 0.000 1.145 642 Y CA 1.506 59.596 58.100 -0.018 0.000 1.148 642 Y CB -0.170 38.393 38.460 0.172 0.000 0.981 642 Y HN -0.098 nan 8.280 nan 0.000 0.507 643 R N 0.203 120.686 120.500 -0.028 0.000 2.073 643 R HA -0.180 4.196 4.340 0.059 0.000 0.234 643 R C 1.859 178.109 176.300 -0.084 0.000 1.134 643 R CA 1.933 57.962 56.100 -0.118 0.000 0.952 643 R CB -0.362 29.967 30.300 0.049 0.000 0.850 643 R HN 0.356 nan 8.270 nan 0.000 0.433 644 N N 0.457 119.162 118.700 0.008 0.000 2.216 644 N HA -0.096 4.679 4.740 0.059 0.000 0.183 644 N C 1.789 177.309 175.510 0.016 0.000 1.017 644 N CA 1.199 54.263 53.050 0.023 0.000 0.861 644 N CB -0.020 38.499 38.487 0.055 0.000 0.986 644 N HN 0.304 nan 8.380 nan 0.000 0.428 645 L N -0.345 120.898 121.223 0.033 0.000 2.354 645 L HA 0.160 4.535 4.340 0.059 0.000 0.212 645 L C 1.543 178.402 176.870 -0.018 0.000 1.091 645 L CA 0.360 55.232 54.840 0.054 0.000 0.828 645 L CB 0.147 42.319 42.059 0.190 0.000 0.973 645 L HN 0.030 nan 8.230 nan 0.000 0.461 646 I N -0.726 119.740 120.570 -0.173 0.000 3.172 646 I HA -0.007 4.198 4.170 0.059 0.000 0.278 646 I C 2.116 178.084 176.117 -0.249 0.000 1.174 646 I CA 0.949 62.105 61.300 -0.240 0.000 1.445 646 I CB -0.249 37.447 38.000 -0.505 0.000 1.175 646 I HN 0.158 nan 8.210 nan 0.000 0.447 647 L N 0.405 121.427 121.223 -0.335 0.000 2.185 647 L HA 0.002 4.377 4.340 0.059 0.000 0.198 647 L C 2.514 179.410 176.870 0.043 0.000 1.079 647 L CA 0.659 55.407 54.840 -0.153 0.000 0.780 647 L CB -0.624 41.295 42.059 -0.234 0.000 0.955 647 L HN 0.100 nan 8.230 nan 0.000 0.462 648 K N 0.946 121.341 120.400 -0.008 0.000 2.059 648 K HA -0.179 4.176 4.320 0.059 0.000 0.212 648 K C -0.714 175.913 176.600 0.045 0.000 1.050 648 K CA 1.883 58.184 56.287 0.025 0.000 0.927 648 K CB -0.765 31.743 32.500 0.013 0.000 0.714 648 K HN 0.201 nan 8.250 nan 0.000 0.447 649 P HA 0.008 nan 4.420 nan 0.000 0.237 649 P C 0.930 178.276 177.300 0.077 0.000 1.178 649 P CA 1.243 64.371 63.100 0.046 0.000 0.766 649 P CB -0.034 31.678 31.700 0.020 0.000 0.876 650 G N 0.906 109.782 108.800 0.127 0.000 2.652 650 G HA2 -0.294 3.701 3.960 0.059 0.000 0.318 650 G HA3 -0.294 3.701 3.960 0.059 0.000 0.318 650 G C 0.983 175.970 174.900 0.146 0.000 1.295 650 G CA 0.252 45.439 45.100 0.145 0.000 0.999 650 G HN 0.436 nan 8.290 nan 0.000 0.548 651 G N -0.344 108.539 108.800 0.139 0.000 3.371 651 G HA2 0.435 4.430 3.960 0.059 0.000 0.248 651 G HA3 0.435 4.430 3.960 0.059 0.000 0.248 651 G C 1.487 176.347 174.900 -0.067 0.000 1.161 651 G CA 1.416 46.580 45.100 0.107 0.000 0.796 651 G HN 1.706 nan 8.290 nan 0.000 0.539 652 S N -0.435 115.209 115.700 -0.093 0.000 2.607 652 S HA 0.356 4.861 4.470 0.059 0.000 0.224 652 S C 0.565 174.988 174.600 -0.296 0.000 0.969 652 S CA -0.110 57.892 58.200 -0.329 0.000 0.927 652 S CB -0.028 63.132 63.200 -0.066 0.000 0.772 652 S HN 0.174 nan 8.310 nan 0.000 0.533 653 L N 0.842 121.946 121.223 -0.200 0.000 2.393 653 L HA 0.520 4.895 4.340 0.059 0.000 0.260 653 L C -1.134 175.623 176.870 -0.188 0.000 1.002 653 L CA -1.116 53.622 54.840 -0.169 0.000 0.818 653 L CB 1.661 43.655 42.059 -0.109 0.000 1.369 653 L HN -0.061 nan 8.230 nan 0.000 0.412 654 D N 0.848 121.140 120.400 -0.180 0.000 2.399 654 D HA 0.107 4.782 4.640 0.059 0.000 0.241 654 D C 0.965 177.071 176.300 -0.323 0.000 1.133 654 D CA 0.384 54.261 54.000 -0.206 0.000 0.890 654 D CB 1.691 42.406 40.800 -0.141 0.000 1.201 654 D HN 0.748 nan 8.370 nan 0.000 0.432 655 G N 1.496 109.988 108.800 -0.514 0.000 2.476 655 G HA2 -0.267 3.729 3.960 0.059 0.000 0.218 655 G HA3 -0.267 3.729 3.960 0.059 0.000 0.218 655 G C 1.380 175.958 174.900 -0.537 0.000 1.164 655 G CA 0.576 45.046 45.100 -1.050 0.000 0.768 655 G HN 0.336 nan 8.290 nan 0.000 0.560 656 M N 0.964 120.409 119.600 -0.258 0.000 2.159 656 M HA -0.023 4.492 4.480 0.059 0.000 0.263 656 M C 1.991 178.212 176.300 -0.131 0.000 1.063 656 M CA 0.962 56.165 55.300 -0.161 0.000 1.110 656 M CB -0.963 31.603 32.600 -0.057 0.000 1.374 656 M HN 0.155 nan 8.290 nan 0.000 0.411 657 D N 0.132 120.458 120.400 -0.124 0.000 2.117 657 D HA -0.104 4.571 4.640 0.059 0.000 0.197 657 D C 2.112 178.377 176.300 -0.058 0.000 0.987 657 D CA 1.217 55.169 54.000 -0.080 0.000 0.829 657 D CB -0.128 40.624 40.800 -0.079 0.000 0.961 657 D HN 0.382 nan 8.370 nan 0.000 0.460 658 M N 0.163 119.712 119.600 -0.085 0.000 2.132 658 M HA -0.099 4.417 4.480 0.059 0.000 0.263 658 M C 2.406 178.743 176.300 0.062 0.000 1.065 658 M CA 0.911 56.203 55.300 -0.013 0.000 1.122 658 M CB -0.208 32.377 32.600 -0.025 0.000 1.365 658 M HN -0.008 nan 8.290 nan 0.000 0.411 659 L N -0.109 121.131 121.223 0.029 0.000 2.012 659 L HA -0.268 4.107 4.340 0.059 0.000 0.210 659 L C 2.546 179.461 176.870 0.076 0.000 1.073 659 L CA 1.605 56.483 54.840 0.063 0.000 0.748 659 L CB -0.696 41.290 42.059 -0.123 0.000 0.891 659 L HN 0.365 nan 8.230 nan 0.000 0.431 660 Q N -0.048 119.755 119.800 0.005 0.000 2.061 660 Q HA -0.232 4.144 4.340 0.059 0.000 0.204 660 Q C 1.960 177.982 176.000 0.037 0.000 0.984 660 Q CA 2.084 57.891 55.803 0.007 0.000 0.846 660 Q CB -0.254 28.474 28.738 -0.016 0.000 0.902 660 Q HN 0.557 nan 8.270 nan 0.000 0.421 661 N N -0.564 118.169 118.700 0.054 0.000 2.104 661 N HA -0.192 4.584 4.740 0.059 0.000 0.190 661 N C 1.517 177.097 175.510 0.116 0.000 1.024 661 N CA 1.094 54.184 53.050 0.068 0.000 0.853 661 N CB -0.169 38.360 38.487 0.070 0.000 1.008 661 N HN 0.140 nan 8.380 nan 0.000 0.424 662 F N 1.456 121.414 119.950 0.013 0.000 2.149 662 F HA 0.079 4.641 4.527 0.059 0.000 0.294 662 F C 1.820 177.631 175.800 0.018 0.000 1.095 662 F CA 0.908 58.928 58.000 0.034 0.000 1.276 662 F CB -0.137 38.916 39.000 0.088 0.000 1.023 662 F HN -0.081 nan 8.300 nan 0.000 0.480 663 L N -0.520 120.725 121.223 0.036 0.000 2.179 663 L HA -0.085 4.290 4.340 0.059 0.000 0.208 663 L C 1.064 177.873 176.870 -0.101 0.000 1.096 663 L CA 1.148 55.942 54.840 -0.077 0.000 0.779 663 L CB -0.528 41.553 42.059 0.037 0.000 0.922 663 L HN 0.233 nan 8.230 nan 0.000 0.443 664 Q N -0.341 119.426 119.800 -0.054 0.000 2.488 664 Q HA -0.188 4.188 4.340 0.059 0.000 0.260 664 Q C -0.220 175.760 176.000 -0.034 0.000 0.842 664 Q CA 0.657 56.430 55.803 -0.050 0.000 1.161 664 Q CB -0.964 27.727 28.738 -0.079 0.000 1.348 664 Q HN 0.698 nan 8.270 nan 0.000 0.639 665 R N -2.104 118.383 120.500 -0.022 0.000 2.741 665 R HA 0.511 4.887 4.340 0.059 0.000 0.276 665 R C -1.455 174.839 176.300 -0.010 0.000 1.028 665 R CA -1.224 54.868 56.100 -0.014 0.000 0.865 665 R CB 0.783 31.076 30.300 -0.012 0.000 1.268 665 R HN -0.191 nan 8.270 nan 0.000 0.475 666 E N 1.400 121.596 120.200 -0.006 0.000 2.398 666 E HA 0.247 4.632 4.350 0.059 0.000 0.263 666 E C -2.068 174.524 176.600 -0.012 0.000 1.046 666 E CA -1.743 54.649 56.400 -0.013 0.000 0.908 666 E CB 0.498 30.201 29.700 0.004 0.000 0.963 666 E HN 0.363 nan 8.360 nan 0.000 0.431 667 P HA 0.131 nan 4.420 nan 0.000 0.274 667 P C -0.596 176.734 177.300 0.050 0.000 1.256 667 P CA -0.201 62.882 63.100 -0.029 0.000 0.795 667 P CB 0.591 32.155 31.700 -0.227 0.000 1.038 668 N N -1.614 117.147 118.700 0.102 0.000 3.020 668 N HA 0.129 4.905 4.740 0.059 0.000 0.248 668 N C -0.472 175.120 175.510 0.137 0.000 1.480 668 N CA -0.793 52.324 53.050 0.111 0.000 0.874 668 N CB 0.360 38.894 38.487 0.079 0.000 1.433 668 N HN 0.386 nan 8.380 nan 0.000 0.530 669 Q N -0.708 119.167 119.800 0.126 0.000 2.246 669 Q HA 0.251 4.627 4.340 0.059 0.000 0.202 669 Q C 0.245 176.339 176.000 0.158 0.000 0.883 669 Q CA -0.430 55.468 55.803 0.157 0.000 0.952 669 Q CB 0.196 29.020 28.738 0.144 0.000 1.078 669 Q HN 0.398 nan 8.270 nan 0.000 0.493 670 K N 1.661 122.123 120.400 0.103 0.000 2.015 670 K HA -0.211 4.144 4.320 0.059 0.000 0.216 670 K C 2.108 178.730 176.600 0.036 0.000 1.052 670 K CA 1.821 58.143 56.287 0.059 0.000 0.937 670 K CB -0.630 31.893 32.500 0.038 0.000 0.719 670 K HN 0.371 nan 8.250 nan 0.000 0.446 671 A N 1.213 124.065 122.820 0.054 0.000 1.883 671 A HA -0.201 4.154 4.320 0.059 0.000 0.217 671 A C 2.157 179.718 177.584 -0.038 0.000 1.186 671 A CA 1.704 53.726 52.037 -0.026 0.000 0.624 671 A CB -0.897 18.170 19.000 0.112 0.000 0.822 671 A HN 0.353 nan 8.150 nan 0.000 0.444 672 F N 0.407 120.347 119.950 -0.016 0.000 2.161 672 F HA -0.138 4.425 4.527 0.060 0.000 0.300 672 F C 1.854 177.624 175.800 -0.051 0.000 1.089 672 F CA 1.741 59.732 58.000 -0.014 0.000 1.282 672 F CB -0.127 38.887 39.000 0.022 0.000 1.010 672 F HN 0.146 nan 8.300 nan 0.000 0.485 673 L N -1.023 120.210 121.223 0.017 0.000 2.131 673 L HA -0.178 4.198 4.340 0.059 0.000 0.206 673 L C 2.529 179.301 176.870 -0.162 0.000 1.087 673 L CA 0.523 55.315 54.840 -0.079 0.000 0.767 673 L CB -0.605 41.474 42.059 0.034 0.000 0.917 673 L HN 0.159 nan 8.230 nan 0.000 0.441 674 M N 0.230 119.742 119.600 -0.147 0.000 2.080 674 M HA -0.180 4.335 4.480 0.059 0.000 0.260 674 M C 2.759 178.921 176.300 -0.230 0.000 1.068 674 M CA 2.313 57.511 55.300 -0.169 0.000 1.109 674 M CB -0.889 31.608 32.600 -0.171 0.000 1.342 674 M HN 0.425 nan 8.290 nan 0.000 0.405 675 S N -0.009 115.497 115.700 -0.323 0.000 2.351 675 S HA -0.201 4.304 4.470 0.059 0.000 0.220 675 S C 2.001 176.433 174.600 -0.281 0.000 1.035 675 S CA 1.297 59.311 58.200 -0.310 0.000 1.031 675 S CB -0.637 62.373 63.200 -0.316 0.000 0.928 675 S HN 0.273 nan 8.310 nan 0.000 0.433 676 R N 1.981 122.257 120.500 -0.373 0.000 2.185 676 R HA 0.087 4.462 4.340 0.059 0.000 0.247 676 R C 1.374 177.547 176.300 -0.213 0.000 1.159 676 R CA 0.956 56.855 56.100 -0.335 0.000 0.988 676 R CB -1.290 28.756 30.300 -0.423 0.000 0.871 676 R HN 0.941 nan 8.270 nan 0.000 0.458 677 G N -0.809 107.881 108.800 -0.183 0.000 2.638 677 G HA2 -0.185 3.810 3.960 0.059 0.000 0.269 677 G HA3 -0.185 3.810 3.960 0.059 0.000 0.269 677 G C -0.494 174.345 174.900 -0.102 0.000 1.141 677 G CA -0.011 45.014 45.100 -0.126 0.000 1.081 677 G HN 0.184 nan 8.290 nan 0.000 0.527 678 L N 0.000 121.165 121.223 -0.096 0.000 2.949 678 L HA 0.000 4.375 4.340 0.059 0.000 0.249 678 L CA 0.000 54.801 54.840 -0.065 0.000 0.813 678 L CB 0.000 42.022 42.059 -0.062 0.000 0.961 678 L HN 0.000 nan 8.230 nan 0.000 0.502