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 1mdr_1_A DATA FIRST_RESID 3 DATA SEQUENCE EVLITGLRTR AVNVPLAYPV HTAVGTVGTA PLVLIDLATS AGVVGHSYLF DATA SEQUENCE AYTPVALKSL KQLLDDMAAM IVNEPLAPVS LEAMLAKRFC LAGYTGLIRM DATA SEQUENCE AAAGIDMAAW DALGKVHETP LVKLLGANAR PVQAYDSHSL DGVKLATERA DATA SEQUENCE VTAAELGFRA VKTKIGYPAL DQDLAVVRSI RQAVGDDFGI MVDYNQSLDV DATA SEQUENCE PAAIKRSQAL QQEGVTWIEE PTLQHDYEGH QRIQSKLNVP VQMGENWLGP DATA SEQUENCE EEMFKALSIG ACRLAMPDAM KIGGVTGWIR ASALAQQFGI PMSSHLFQEI DATA SEQUENCE SAHLLAATPT AHWLERLDLA GSVIEPTLTF EGGNAVIPDL PGVGIIWREK DATA SEQUENCE EIGKYLV 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.583 176.600 -0.028 0.000 1.382 3 E CA 0.000 56.388 56.400 -0.020 0.000 0.976 3 E CB 0.000 29.691 29.700 -0.016 0.000 0.812 4 V N 4.045 123.936 119.914 -0.039 0.000 2.370 4 V HA 0.454 4.576 4.120 0.004 0.000 0.279 4 V C 0.080 176.148 176.094 -0.045 0.000 1.029 4 V CA -0.304 61.967 62.300 -0.049 0.000 0.870 4 V CB 1.085 32.863 31.823 -0.074 0.000 0.984 4 V HN 0.199 nan 8.190 nan 0.000 0.451 5 L N 5.220 126.422 121.223 -0.036 0.000 2.330 5 L HA 0.623 4.966 4.340 0.004 0.000 0.271 5 L C -0.303 176.552 176.870 -0.024 0.000 1.013 5 L CA -0.801 54.022 54.840 -0.028 0.000 0.816 5 L CB 2.233 44.281 42.059 -0.019 0.000 1.287 5 L HN 0.425 nan 8.230 nan 0.000 0.435 6 I N 0.919 121.478 120.570 -0.018 0.000 2.441 6 I HA 0.083 4.255 4.170 0.004 0.000 0.287 6 I C 1.007 177.126 176.117 0.003 0.000 1.049 6 I CA 0.189 61.485 61.300 -0.007 0.000 1.381 6 I CB 1.548 39.548 38.000 -0.001 0.000 1.409 6 I HN 0.782 nan 8.210 nan 0.000 0.523 7 T N 0.646 115.206 114.554 0.010 0.000 2.975 7 T HA 0.437 4.789 4.350 0.004 0.000 0.257 7 T C 0.448 175.162 174.700 0.023 0.000 1.003 7 T CA -0.077 62.031 62.100 0.014 0.000 0.932 7 T CB 0.635 69.509 68.868 0.010 0.000 1.087 7 T HN 0.764 nan 8.240 nan 0.000 0.512 8 G N 0.724 109.543 108.800 0.032 0.000 2.547 8 G HA2 0.544 4.506 3.960 0.004 0.000 0.291 8 G HA3 0.544 4.506 3.960 0.004 0.000 0.291 8 G C -2.688 172.246 174.900 0.056 0.000 1.471 8 G CA -0.805 44.320 45.100 0.042 0.000 0.798 8 G HN 0.410 nan 8.290 nan 0.000 0.504 9 L N 0.334 121.594 121.223 0.061 0.000 2.470 9 L HA 0.871 5.214 4.340 0.004 0.000 0.268 9 L C -0.433 176.480 176.870 0.072 0.000 0.964 9 L CA -0.756 54.130 54.840 0.076 0.000 0.839 9 L CB 2.002 44.105 42.059 0.073 0.000 1.276 9 L HN 0.756 nan 8.230 nan 0.000 0.403 10 R N 2.697 123.247 120.500 0.083 0.000 2.686 10 R HA 0.846 5.188 4.340 0.004 0.000 0.283 10 R C -1.492 174.844 176.300 0.061 0.000 0.978 10 R CA -0.007 56.130 56.100 0.062 0.000 0.897 10 R CB 1.984 32.318 30.300 0.058 0.000 1.192 10 R HN 0.823 nan 8.270 nan 0.000 0.457 11 T N 0.798 115.373 114.554 0.035 0.000 2.900 11 T HA 0.630 4.982 4.350 0.004 0.000 0.295 11 T C -0.625 174.066 174.700 -0.014 0.000 1.044 11 T CA -0.976 61.140 62.100 0.028 0.000 0.995 11 T CB 1.985 70.884 68.868 0.050 0.000 1.072 11 T HN 0.633 nan 8.240 nan 0.000 0.473 12 R N 0.707 121.178 120.500 -0.048 0.000 2.574 12 R HA 0.727 5.069 4.340 0.004 0.000 0.288 12 R C -1.045 175.225 176.300 -0.051 0.000 1.004 12 R CA -0.931 55.125 56.100 -0.073 0.000 0.895 12 R CB 2.447 32.655 30.300 -0.153 0.000 1.191 12 R HN 0.919 nan 8.270 nan 0.000 0.444 13 A N 2.830 125.635 122.820 -0.024 0.000 2.260 13 A HA 0.607 4.929 4.320 0.004 0.000 0.314 13 A C -0.089 177.493 177.584 -0.004 0.000 1.257 13 A CA -0.599 51.437 52.037 -0.002 0.000 0.871 13 A CB 0.708 19.715 19.000 0.011 0.000 1.166 13 A HN 0.491 nan 8.150 nan 0.000 0.522 14 V N 0.651 120.567 119.914 0.003 0.000 2.864 14 V HA 0.621 4.744 4.120 0.004 0.000 0.314 14 V C -0.250 175.858 176.094 0.022 0.000 1.073 14 V CA -1.030 61.286 62.300 0.026 0.000 0.956 14 V CB 2.006 33.844 31.823 0.026 0.000 1.023 14 V HN 0.854 nan 8.190 nan 0.000 0.435 15 N N 1.730 120.454 118.700 0.039 0.000 2.626 15 N HA 0.517 5.259 4.740 0.004 0.000 0.249 15 N C -1.298 174.175 175.510 -0.063 0.000 1.021 15 N CA -0.333 52.719 53.050 0.004 0.000 0.886 15 N CB 1.754 40.256 38.487 0.024 0.000 1.149 15 N HN 0.656 nan 8.380 nan 0.000 0.517 16 V N 4.717 124.515 119.914 -0.193 0.000 2.509 16 V HA 0.397 4.519 4.120 0.004 0.000 0.284 16 V C -1.797 174.100 176.094 -0.329 0.000 1.047 16 V CA -1.444 60.571 62.300 -0.474 0.000 0.952 16 V CB 1.262 32.805 31.823 -0.466 0.000 0.988 16 V HN 0.586 nan 8.190 nan 0.000 0.469 17 P HA 0.263 nan 4.420 nan 0.000 0.275 17 P C -1.054 176.148 177.300 -0.163 0.000 1.227 17 P CA -0.185 62.812 63.100 -0.171 0.000 0.781 17 P CB 1.022 32.659 31.700 -0.104 0.000 0.906 18 L N 2.487 123.643 121.223 -0.112 0.000 2.295 18 L HA 0.392 4.734 4.340 0.004 0.000 0.285 18 L C 1.824 178.640 176.870 -0.089 0.000 1.035 18 L CA -0.795 53.986 54.840 -0.099 0.000 0.806 18 L CB 1.408 43.419 42.059 -0.079 0.000 1.214 18 L HN 0.366 nan 8.230 nan 0.000 0.426 19 A N 3.194 125.964 122.820 -0.083 0.000 1.908 19 A HA -0.150 4.173 4.320 0.004 0.000 0.218 19 A C 0.397 177.837 177.584 -0.240 0.000 1.181 19 A CA 1.511 53.463 52.037 -0.143 0.000 0.627 19 A CB -0.306 18.636 19.000 -0.098 0.000 0.818 19 A HN 0.582 nan 8.150 nan 0.000 0.445 20 Y N 0.127 120.391 120.300 -0.059 0.000 2.328 20 Y HA 0.403 4.955 4.550 0.004 0.000 0.336 20 Y C -2.274 173.565 175.900 -0.102 0.000 0.960 20 Y CA -2.732 55.337 58.100 -0.052 0.000 1.134 20 Y CB 1.396 39.833 38.460 -0.038 0.000 1.166 20 Y HN 0.129 nan 8.280 nan 0.000 0.464 21 P HA 0.038 nan 4.420 nan 0.000 0.271 21 P C -0.524 176.547 177.300 -0.383 0.000 1.220 21 P CA -0.050 62.925 63.100 -0.208 0.000 0.768 21 P CB 1.193 32.746 31.700 -0.246 0.000 0.848 22 V N 5.449 125.227 119.914 -0.227 0.000 2.352 22 V HA 0.026 4.148 4.120 0.004 0.000 0.253 22 V C 0.942 176.932 176.094 -0.174 0.000 1.083 22 V CA -0.184 62.030 62.300 -0.143 0.000 0.993 22 V CB -1.427 30.371 31.823 -0.041 0.000 1.111 22 V HN 0.520 nan 8.190 nan 0.000 0.490 23 H N 3.571 122.674 119.070 0.055 0.000 2.690 23 H HA 0.436 4.994 4.556 0.004 0.000 0.314 23 H C 0.629 175.965 175.328 0.013 0.000 1.069 23 H CA 0.086 56.156 56.048 0.036 0.000 1.436 23 H CB 1.439 31.221 29.762 0.033 0.000 1.462 23 H HN 0.718 nan 8.280 nan 0.000 0.511 24 T N -1.792 112.828 114.554 0.111 0.000 2.907 24 T HA 0.526 4.878 4.350 0.004 0.000 0.290 24 T C 1.265 175.967 174.700 0.004 0.000 1.066 24 T CA -0.454 61.674 62.100 0.047 0.000 1.012 24 T CB 1.654 70.560 68.868 0.064 0.000 1.184 24 T HN 0.440 nan 8.240 nan 0.000 0.522 25 A N 0.458 123.256 122.820 -0.036 0.000 2.131 25 A HA 0.107 4.429 4.320 0.004 0.000 0.220 25 A C 1.836 179.416 177.584 -0.005 0.000 1.158 25 A CA 1.706 53.711 52.037 -0.053 0.000 0.665 25 A CB -1.035 17.954 19.000 -0.019 0.000 0.795 25 A HN 1.506 nan 8.150 nan 0.000 0.460 26 V N -4.652 115.274 119.914 0.021 0.000 3.214 26 V HA 0.639 4.762 4.120 0.004 0.000 0.330 26 V C 0.552 176.669 176.094 0.038 0.000 1.403 26 V CA 0.075 62.391 62.300 0.027 0.000 1.143 26 V CB -0.887 30.953 31.823 0.029 0.000 1.098 26 V HN 1.310 nan 8.190 nan 0.000 0.463 27 G N -0.644 108.185 108.800 0.049 0.000 2.347 27 G HA2 0.330 4.292 3.960 0.004 0.000 0.321 27 G HA3 0.330 4.292 3.960 0.004 0.000 0.321 27 G C -0.856 174.095 174.900 0.085 0.000 1.412 27 G CA -0.163 44.975 45.100 0.064 0.000 0.990 27 G HN 0.245 nan 8.290 nan 0.000 0.637 28 T N 0.009 114.616 114.554 0.087 0.000 2.829 28 T HA 0.573 4.925 4.350 0.004 0.000 0.280 28 T C -0.040 174.681 174.700 0.035 0.000 0.999 28 T CA -0.431 61.704 62.100 0.058 0.000 0.983 28 T CB 1.891 70.814 68.868 0.091 0.000 0.968 28 T HN 0.810 nan 8.240 nan 0.000 0.446 29 V N 3.517 123.444 119.914 0.022 0.000 2.320 29 V HA 0.388 4.510 4.120 0.004 0.000 0.265 29 V C 1.323 177.413 176.094 -0.007 0.000 1.048 29 V CA -0.034 62.301 62.300 0.057 0.000 0.865 29 V CB 0.833 32.746 31.823 0.149 0.000 1.043 29 V HN 1.170 nan 8.190 nan 0.000 0.474 30 G N 3.938 112.735 108.800 -0.005 0.000 2.595 30 G HA2 0.117 4.079 3.960 0.004 0.000 0.213 30 G HA3 0.117 4.079 3.960 0.004 0.000 0.213 30 G C 0.654 175.539 174.900 -0.025 0.000 1.141 30 G CA 0.878 45.960 45.100 -0.030 0.000 0.806 30 G HN 0.669 nan 8.290 nan 0.000 0.530 31 T N -3.114 111.439 114.554 -0.002 0.000 2.907 31 T HA 0.703 5.055 4.350 0.004 0.000 0.290 31 T C -0.788 173.931 174.700 0.032 0.000 1.066 31 T CA -0.349 61.741 62.100 -0.016 0.000 1.012 31 T CB 2.263 71.121 68.868 -0.017 0.000 1.184 31 T HN 0.440 nan 8.240 nan 0.000 0.522 32 A N 2.147 124.975 122.820 0.014 0.000 2.273 32 A HA 0.680 5.003 4.320 0.004 0.000 0.320 32 A C -2.837 174.810 177.584 0.104 0.000 1.358 32 A CA -1.934 50.184 52.037 0.135 0.000 0.910 32 A CB -0.048 18.945 19.000 -0.011 0.000 1.159 32 A HN 0.611 nan 8.150 nan 0.000 0.526 33 P HA 0.335 nan 4.420 nan 0.000 0.274 33 P C -0.842 176.512 177.300 0.091 0.000 1.291 33 P CA 0.378 63.499 63.100 0.034 0.000 0.815 33 P CB 0.332 32.011 31.700 -0.035 0.000 0.897 34 L N 3.154 124.433 121.223 0.094 0.000 2.342 34 L HA 0.618 4.961 4.340 0.004 0.000 0.271 34 L C -0.206 176.733 176.870 0.116 0.000 1.008 34 L CA -1.314 53.619 54.840 0.155 0.000 0.818 34 L CB 2.278 44.405 42.059 0.114 0.000 1.296 34 L HN -0.032 nan 8.230 nan 0.000 0.427 35 V N 3.543 123.560 119.914 0.172 0.000 2.378 35 V HA 0.381 4.503 4.120 0.004 0.000 0.288 35 V C 0.021 176.222 176.094 0.179 0.000 1.016 35 V CA -0.423 61.953 62.300 0.127 0.000 0.840 35 V CB 1.629 33.527 31.823 0.124 0.000 0.994 35 V HN 0.474 nan 8.190 nan 0.000 0.431 36 L N 6.228 127.491 121.223 0.065 0.000 2.326 36 L HA 0.604 4.946 4.340 0.004 0.000 0.278 36 L C -0.416 176.526 176.870 0.120 0.000 1.092 36 L CA -0.206 54.662 54.840 0.046 0.000 0.810 36 L CB 1.089 42.826 42.059 -0.537 0.000 1.153 36 L HN 0.438 nan 8.230 nan 0.000 0.439 37 I N 2.346 123.118 120.570 0.338 0.000 2.509 37 I HA 0.331 4.503 4.170 0.004 0.000 0.293 37 I C -0.892 175.466 176.117 0.401 0.000 1.020 37 I CA -0.498 60.971 61.300 0.283 0.000 1.088 37 I CB 2.348 40.496 38.000 0.246 0.000 1.267 37 I HN 0.541 nan 8.210 nan 0.000 0.430 38 D N 6.524 127.102 120.400 0.297 0.000 2.481 38 D HA 0.386 5.029 4.640 0.004 0.000 0.246 38 D C -1.107 175.329 176.300 0.226 0.000 1.109 38 D CA -0.321 53.889 54.000 0.350 0.000 0.845 38 D CB 2.974 43.952 40.800 0.296 0.000 1.160 38 D HN 0.161 nan 8.370 nan 0.000 0.534 39 L N 2.418 123.764 121.223 0.204 0.000 2.294 39 L HA 0.568 4.910 4.340 0.004 0.000 0.283 39 L C -0.489 176.434 176.870 0.087 0.000 1.015 39 L CA -0.440 54.471 54.840 0.119 0.000 0.831 39 L CB 1.227 43.342 42.059 0.093 0.000 1.217 39 L HN 0.377 nan 8.230 nan 0.000 0.420 40 A N 3.165 126.029 122.820 0.073 0.000 2.316 40 A HA 0.744 5.066 4.320 0.004 0.000 0.284 40 A C 0.114 177.712 177.584 0.022 0.000 1.115 40 A CA 0.191 52.259 52.037 0.052 0.000 0.812 40 A CB 0.439 19.471 19.000 0.053 0.000 1.064 40 A HN 0.758 nan 8.150 nan 0.000 0.489 41 T N -1.881 112.676 114.554 0.005 0.000 2.916 41 T HA 0.492 4.844 4.350 0.004 0.000 0.292 41 T C 1.004 175.696 174.700 -0.013 0.000 1.064 41 T CA 0.104 62.197 62.100 -0.013 0.000 1.011 41 T CB 1.198 70.044 68.868 -0.036 0.000 1.152 41 T HN 1.136 nan 8.240 nan 0.000 0.510 42 S N 0.402 116.091 115.700 -0.019 0.000 2.447 42 S HA 0.032 4.504 4.470 0.004 0.000 0.233 42 S C 2.084 176.670 174.600 -0.022 0.000 1.006 42 S CA 0.458 58.649 58.200 -0.016 0.000 0.957 42 S CB -0.879 62.310 63.200 -0.018 0.000 0.773 42 S HN 1.103 nan 8.310 nan 0.000 0.507 43 A N 1.041 123.840 122.820 -0.035 0.000 2.235 43 A HA 0.514 4.836 4.320 0.004 0.000 0.208 43 A C 1.754 179.319 177.584 -0.032 0.000 1.172 43 A CA 0.507 52.519 52.037 -0.042 0.000 0.786 43 A CB -1.367 17.593 19.000 -0.068 0.000 0.804 43 A HN 1.503 nan 8.150 nan 0.000 0.479 44 G N -1.102 107.686 108.800 -0.020 0.000 2.160 44 G HA2 -0.120 3.843 3.960 0.004 0.000 0.251 44 G HA3 -0.120 3.843 3.960 0.004 0.000 0.251 44 G C 0.274 175.164 174.900 -0.016 0.000 1.008 44 G CA 0.708 45.802 45.100 -0.010 0.000 0.724 44 G HN 1.796 nan 8.290 nan 0.000 0.514 45 V N -3.131 116.765 119.914 -0.030 0.000 2.815 45 V HA 0.917 5.039 4.120 0.004 0.000 0.314 45 V C 0.164 176.236 176.094 -0.036 0.000 1.064 45 V CA -1.332 60.942 62.300 -0.043 0.000 0.952 45 V CB 2.465 34.244 31.823 -0.073 0.000 1.020 45 V HN 0.569 nan 8.190 nan 0.000 0.439 46 V N 2.775 122.657 119.914 -0.053 0.000 2.409 46 V HA 0.736 4.859 4.120 0.004 0.000 0.291 46 V C 0.939 176.913 176.094 -0.200 0.000 1.020 46 V CA 0.234 62.516 62.300 -0.031 0.000 0.848 46 V CB 1.209 33.100 31.823 0.113 0.000 0.990 46 V HN 1.302 nan 8.190 nan 0.000 0.430 47 G N 3.150 111.889 108.800 -0.102 0.000 2.503 47 G HA2 0.534 4.496 3.960 0.004 0.000 0.257 47 G HA3 0.534 4.496 3.960 0.004 0.000 0.257 47 G C -0.758 174.136 174.900 -0.011 0.000 1.214 47 G CA -0.152 44.865 45.100 -0.138 0.000 0.839 47 G HN 0.674 nan 8.290 nan 0.000 0.559 48 H N -0.694 118.381 119.070 0.008 0.000 2.717 48 H HA 0.718 5.276 4.556 0.004 0.000 0.366 48 H C 0.050 175.414 175.328 0.059 0.000 1.132 48 H CA -0.770 55.297 56.048 0.032 0.000 1.180 48 H CB 2.009 31.582 29.762 -0.315 0.000 1.678 48 H HN 0.748 nan 8.280 nan 0.000 0.537 49 S N 0.994 116.905 115.700 0.352 0.000 2.688 49 S HA 0.715 5.188 4.470 0.004 0.000 0.275 49 S C -1.534 173.375 174.600 0.516 0.000 1.175 49 S CA -0.996 57.374 58.200 0.284 0.000 0.818 49 S CB 2.100 65.381 63.200 0.135 0.000 1.157 49 S HN 0.626 nan 8.310 nan 0.000 0.482 50 Y N -1.082 119.434 120.300 0.360 0.000 2.588 50 Y HA 0.867 5.419 4.550 0.004 0.000 0.343 50 Y C -1.632 174.501 175.900 0.389 0.000 1.065 50 Y CA -1.495 56.826 58.100 0.369 0.000 1.038 50 Y CB 0.894 39.580 38.460 0.377 0.000 1.297 50 Y HN 0.741 nan 8.280 nan 0.000 0.467 51 L N 2.510 124.005 121.223 0.453 0.000 2.319 51 L HA 0.534 4.876 4.340 0.004 0.000 0.267 51 L C -1.374 175.806 176.870 0.516 0.000 1.011 51 L CA -0.992 54.096 54.840 0.414 0.000 0.818 51 L CB 2.235 44.444 42.059 0.250 0.000 1.316 51 L HN 0.729 nan 8.230 nan 0.000 0.432 52 F N 0.931 121.063 119.950 0.302 0.000 2.426 52 F HA 0.549 5.078 4.527 0.003 0.000 0.348 52 F C 0.484 176.290 175.800 0.009 0.000 1.124 52 F CA -0.859 57.169 58.000 0.047 0.000 1.008 52 F CB 1.737 40.609 39.000 -0.213 0.000 1.139 52 F HN 0.450 nan 8.300 nan 0.000 0.452 53 A N 4.772 127.382 122.820 -0.350 0.000 2.275 53 A HA 0.167 4.490 4.320 0.004 0.000 0.212 53 A C 0.848 178.197 177.584 -0.390 0.000 1.201 53 A CA 0.629 52.528 52.037 -0.229 0.000 0.843 53 A CB -0.968 17.977 19.000 -0.092 0.000 0.873 53 A HN 1.011 nan 8.150 nan 0.000 0.492 54 Y N -1.362 118.140 120.300 -1.330 0.000 2.818 54 Y HA -0.293 4.260 4.550 0.004 0.000 0.487 54 Y C 1.078 176.738 175.900 -0.399 0.000 1.146 54 Y CA 1.782 59.313 58.100 -0.949 0.000 2.839 54 Y CB -1.589 36.640 38.460 -0.385 0.000 0.893 54 Y HN 0.500 nan 8.280 nan 0.000 0.545 55 T N 0.009 114.506 114.554 -0.096 0.000 2.909 55 T HA 0.525 4.877 4.350 0.004 0.000 0.299 55 T C -2.382 172.293 174.700 -0.041 0.000 1.073 55 T CA -1.587 60.493 62.100 -0.034 0.000 0.999 55 T CB 2.300 71.171 68.868 0.006 0.000 1.098 55 T HN -0.204 nan 8.240 nan 0.000 0.477 56 P HA 0.015 nan 4.420 nan 0.000 0.222 56 P C 1.589 178.886 177.300 -0.004 0.000 1.147 56 P CA 0.375 63.469 63.100 -0.010 0.000 0.790 56 P CB 0.078 31.778 31.700 0.001 0.000 0.780 57 V N 0.204 120.117 119.914 -0.001 0.000 2.469 57 V HA -0.224 3.899 4.120 0.004 0.000 0.251 57 V C 2.188 178.283 176.094 0.002 0.000 1.064 57 V CA 2.306 64.607 62.300 0.002 0.000 1.066 57 V CB -1.457 30.367 31.823 0.003 0.000 0.667 57 V HN 0.144 nan 8.190 nan 0.000 0.461 58 A N -1.267 121.553 122.820 -0.001 0.000 2.308 58 A HA 0.194 4.516 4.320 0.004 0.000 0.217 58 A C 1.810 179.399 177.584 0.008 0.000 1.216 58 A CA 0.245 52.285 52.037 0.005 0.000 0.864 58 A CB -0.106 18.899 19.000 0.008 0.000 0.902 58 A HN 0.410 nan 8.150 nan 0.000 0.499 59 L N 0.165 121.390 121.223 0.003 0.000 1.988 59 L HA -0.070 4.272 4.340 0.004 0.000 0.207 59 L C 2.107 178.988 176.870 0.019 0.000 1.071 59 L CA 2.184 57.030 54.840 0.010 0.000 0.744 59 L CB -0.458 41.604 42.059 0.005 0.000 0.893 59 L HN 0.292 nan 8.230 nan 0.000 0.433 60 K N -1.073 119.336 120.400 0.016 0.000 2.097 60 K HA -0.129 4.193 4.320 0.004 0.000 0.205 60 K C 2.335 178.948 176.600 0.022 0.000 1.050 60 K CA 1.308 57.606 56.287 0.018 0.000 0.938 60 K CB -0.301 32.208 32.500 0.015 0.000 0.718 60 K HN 0.404 nan 8.250 nan 0.000 0.442 61 S N 1.294 117.006 115.700 0.020 0.000 2.370 61 S HA -0.146 4.326 4.470 0.004 0.000 0.226 61 S C 1.918 176.533 174.600 0.026 0.000 1.033 61 S CA 1.011 59.224 58.200 0.022 0.000 1.011 61 S CB -0.161 63.049 63.200 0.018 0.000 0.852 61 S HN 0.232 nan 8.310 nan 0.000 0.457 62 L N 2.028 123.268 121.223 0.028 0.000 2.056 62 L HA 0.081 4.424 4.340 0.004 0.000 0.207 62 L C 2.273 179.168 176.870 0.042 0.000 1.078 62 L CA 2.302 57.163 54.840 0.035 0.000 0.749 62 L CB -0.939 41.147 42.059 0.045 0.000 0.901 62 L HN 0.360 nan 8.230 nan 0.000 0.433 63 K N -0.902 119.522 120.400 0.041 0.000 2.026 63 K HA -0.286 4.036 4.320 0.004 0.000 0.208 63 K C 2.243 178.868 176.600 0.041 0.000 1.048 63 K CA 1.763 58.075 56.287 0.043 0.000 0.929 63 K CB -0.272 32.249 32.500 0.034 0.000 0.713 63 K HN 0.347 nan 8.250 nan 0.000 0.439 64 Q N 0.789 120.611 119.800 0.037 0.000 2.096 64 Q HA -0.176 4.166 4.340 0.004 0.000 0.204 64 Q C 1.930 177.959 176.000 0.049 0.000 0.982 64 Q CA 1.678 57.504 55.803 0.039 0.000 0.850 64 Q CB -0.402 28.357 28.738 0.034 0.000 0.901 64 Q HN 0.423 nan 8.270 nan 0.000 0.422 65 L N -0.537 120.715 121.223 0.048 0.000 2.027 65 L HA -0.064 4.278 4.340 0.004 0.000 0.206 65 L C 2.038 178.950 176.870 0.069 0.000 1.074 65 L CA 1.643 56.517 54.840 0.057 0.000 0.745 65 L CB -0.684 41.394 42.059 0.031 0.000 0.898 65 L HN 0.380 nan 8.230 nan 0.000 0.433 66 L N -0.482 120.777 121.223 0.060 0.000 2.042 66 L HA -0.239 4.104 4.340 0.004 0.000 0.210 66 L C 2.230 179.145 176.870 0.075 0.000 1.076 66 L CA 1.455 56.338 54.840 0.071 0.000 0.749 66 L CB -0.765 41.335 42.059 0.070 0.000 0.893 66 L HN 0.303 nan 8.230 nan 0.000 0.432 67 D N -0.267 120.171 120.400 0.063 0.000 2.178 67 D HA -0.176 4.466 4.640 0.004 0.000 0.201 67 D C 1.689 178.026 176.300 0.062 0.000 0.980 67 D CA 1.121 55.155 54.000 0.057 0.000 0.842 67 D CB -0.188 40.639 40.800 0.045 0.000 0.948 67 D HN 0.332 nan 8.370 nan 0.000 0.472 68 D N -0.485 119.958 120.400 0.072 0.000 2.317 68 D HA 0.026 4.668 4.640 0.004 0.000 0.211 68 D C 1.939 178.301 176.300 0.103 0.000 0.966 68 D CA 0.270 54.318 54.000 0.080 0.000 0.876 68 D CB 0.057 40.908 40.800 0.084 0.000 0.927 68 D HN 0.271 nan 8.370 nan 0.000 0.519 69 M N 0.305 119.980 119.600 0.126 0.000 2.388 69 M HA 0.046 4.528 4.480 0.004 0.000 0.265 69 M C 2.232 178.599 176.300 0.112 0.000 1.088 69 M CA 0.291 55.687 55.300 0.159 0.000 1.134 69 M CB 0.128 32.845 32.600 0.195 0.000 1.384 69 M HN -0.081 nan 8.290 nan 0.000 0.447 70 A N 1.093 123.965 122.820 0.087 0.000 1.940 70 A HA -0.276 4.046 4.320 0.004 0.000 0.221 70 A C 2.356 179.974 177.584 0.056 0.000 1.190 70 A CA 2.330 54.408 52.037 0.069 0.000 0.647 70 A CB -1.079 17.956 19.000 0.059 0.000 0.821 70 A HN 0.528 nan 8.150 nan 0.000 0.457 71 A N 0.233 123.083 122.820 0.050 0.000 1.948 71 A HA -0.208 4.115 4.320 0.004 0.000 0.220 71 A C 2.259 179.861 177.584 0.030 0.000 1.177 71 A CA 2.268 54.326 52.037 0.035 0.000 0.636 71 A CB -0.701 18.317 19.000 0.029 0.000 0.815 71 A HN 0.928 nan 8.150 nan 0.000 0.449 72 M N -0.724 118.899 119.600 0.039 0.000 2.562 72 M HA 0.164 4.647 4.480 0.004 0.000 0.257 72 M C 1.611 177.931 176.300 0.033 0.000 1.099 72 M CA 1.688 57.003 55.300 0.026 0.000 1.099 72 M CB -0.524 32.089 32.600 0.021 0.000 1.427 72 M HN 0.523 nan 8.290 nan 0.000 0.489 73 I N -1.899 118.698 120.570 0.045 0.000 4.070 73 I HA 0.290 4.462 4.170 0.004 0.000 0.328 73 I C 0.145 176.276 176.117 0.025 0.000 1.298 73 I CA -0.473 60.849 61.300 0.037 0.000 1.173 73 I CB 0.302 38.333 38.000 0.052 0.000 1.051 73 I HN -0.116 nan 8.210 nan 0.000 0.409 74 V N 4.420 124.349 119.914 0.025 0.000 2.655 74 V HA 0.102 4.224 4.120 0.004 0.000 0.300 74 V C 0.684 176.784 176.094 0.010 0.000 1.044 74 V CA 0.475 62.786 62.300 0.019 0.000 1.095 74 V CB 0.184 32.021 31.823 0.023 0.000 0.952 74 V HN 0.720 nan 8.190 nan 0.000 0.485 75 N N 1.637 120.340 118.700 0.005 0.000 2.878 75 N HA -0.137 4.605 4.740 0.004 0.000 0.247 75 N C 0.153 175.659 175.510 -0.006 0.000 1.021 75 N CA 0.932 53.981 53.050 -0.002 0.000 0.873 75 N CB -0.533 37.954 38.487 -0.001 0.000 1.128 75 N HN 0.743 nan 8.380 nan 0.000 0.571 76 E N 0.604 120.800 120.200 -0.006 0.000 2.277 76 E HA 0.404 4.757 4.350 0.004 0.000 0.274 76 E C -2.123 174.464 176.600 -0.022 0.000 1.022 76 E CA -1.757 54.636 56.400 -0.012 0.000 0.853 76 E CB 0.515 30.210 29.700 -0.008 0.000 1.086 76 E HN 0.059 nan 8.360 nan 0.000 0.397 77 P HA -0.022 nan 4.420 nan 0.000 0.267 77 P C -0.071 177.194 177.300 -0.058 0.000 1.200 77 P CA -0.308 62.767 63.100 -0.041 0.000 0.772 77 P CB 0.375 32.051 31.700 -0.040 0.000 0.855 78 L N 2.702 123.881 121.223 -0.073 0.000 2.415 78 L HA 0.396 4.738 4.340 0.004 0.000 0.269 78 L C -0.203 176.574 176.870 -0.154 0.000 1.244 78 L CA 0.273 55.049 54.840 -0.107 0.000 1.113 78 L CB -1.518 40.476 42.059 -0.109 0.000 1.352 78 L HN 0.362 nan 8.230 nan 0.000 0.433 79 A N 5.327 128.052 122.820 -0.159 0.000 2.855 79 A HA 0.570 4.892 4.320 0.004 0.000 0.313 79 A C -1.990 175.468 177.584 -0.210 0.000 1.173 79 A CA -0.854 51.067 52.037 -0.194 0.000 0.753 79 A CB 0.525 19.457 19.000 -0.113 0.000 1.200 79 A HN 0.495 nan 8.150 nan 0.000 0.442 80 P HA -0.186 nan 4.420 nan 0.000 0.216 80 P C 1.637 178.899 177.300 -0.064 0.000 1.154 80 P CA 1.406 64.338 63.100 -0.280 0.000 0.865 80 P CB 0.217 31.501 31.700 -0.693 0.000 0.789 81 V N -0.463 119.426 119.914 -0.041 0.000 2.358 81 V HA -0.203 3.919 4.120 0.004 0.000 0.246 81 V C 2.418 178.532 176.094 0.032 0.000 1.047 81 V CA 2.329 64.670 62.300 0.068 0.000 1.035 81 V CB -1.370 30.509 31.823 0.094 0.000 0.658 81 V HN 0.159 nan 8.190 nan 0.000 0.452 82 S N -0.151 115.543 115.700 -0.010 0.000 2.383 82 S HA -0.049 4.424 4.470 0.004 0.000 0.227 82 S C 1.901 176.499 174.600 -0.002 0.000 1.026 82 S CA 1.240 59.435 58.200 -0.009 0.000 0.981 82 S CB -0.282 62.902 63.200 -0.026 0.000 0.818 82 S HN 0.441 nan 8.310 nan 0.000 0.472 83 L N 1.338 122.558 121.223 -0.006 0.000 2.046 83 L HA -0.098 4.245 4.340 0.004 0.000 0.208 83 L C 2.866 179.767 176.870 0.053 0.000 1.077 83 L CA 1.188 56.038 54.840 0.016 0.000 0.747 83 L CB -0.438 41.629 42.059 0.013 0.000 0.896 83 L HN 0.289 nan 8.230 nan 0.000 0.432 84 E N 0.736 120.982 120.200 0.076 0.000 2.051 84 E HA -0.228 4.125 4.350 0.004 0.000 0.192 84 E C 2.164 178.806 176.600 0.070 0.000 0.991 84 E CA 1.524 57.999 56.400 0.126 0.000 0.799 84 E CB 0.025 29.822 29.700 0.161 0.000 0.748 84 E HN 0.397 nan 8.360 nan 0.000 0.449 85 A N 1.795 124.638 122.820 0.037 0.000 1.940 85 A HA -0.191 4.131 4.320 0.004 0.000 0.219 85 A C 2.306 179.863 177.584 -0.045 0.000 1.176 85 A CA 2.030 54.062 52.037 -0.007 0.000 0.631 85 A CB -0.656 18.343 19.000 -0.002 0.000 0.814 85 A HN 0.398 nan 8.150 nan 0.000 0.446 86 M N -0.371 119.215 119.600 -0.023 0.000 2.132 86 M HA -0.062 4.420 4.480 0.004 0.000 0.263 86 M C 1.931 178.206 176.300 -0.041 0.000 1.065 86 M CA 1.684 56.964 55.300 -0.034 0.000 1.122 86 M CB -0.595 31.997 32.600 -0.014 0.000 1.365 86 M HN 0.435 nan 8.290 nan 0.000 0.411 87 L N 0.189 121.418 121.223 0.011 0.000 2.141 87 L HA -0.116 4.226 4.340 0.004 0.000 0.209 87 L C 2.734 179.509 176.870 -0.159 0.000 1.094 87 L CA 0.913 55.811 54.840 0.096 0.000 0.763 87 L CB -0.996 41.224 42.059 0.269 0.000 0.908 87 L HN 0.342 nan 8.230 nan 0.000 0.437 88 A N 0.166 122.672 122.820 -0.525 0.000 1.902 88 A HA -0.253 4.069 4.320 0.004 0.000 0.217 88 A C 2.426 179.715 177.584 -0.491 0.000 1.181 88 A CA 1.927 53.295 52.037 -1.115 0.000 0.623 88 A CB -0.381 18.244 19.000 -0.624 0.000 0.818 88 A HN 0.320 nan 8.150 nan 0.000 0.443 89 K N -0.937 119.313 120.400 -0.250 0.000 2.103 89 K HA -0.098 4.224 4.320 0.004 0.000 0.204 89 K C 2.104 178.621 176.600 -0.138 0.000 1.052 89 K CA 0.801 57.001 56.287 -0.146 0.000 0.945 89 K CB -0.065 32.373 32.500 -0.104 0.000 0.722 89 K HN 0.250 nan 8.250 nan 0.000 0.443 90 R N -0.312 120.087 120.500 -0.168 0.000 2.148 90 R HA -0.062 4.280 4.340 0.004 0.000 0.223 90 R C 1.290 177.361 176.300 -0.382 0.000 1.088 90 R CA 0.936 56.858 56.100 -0.296 0.000 0.985 90 R CB -0.242 29.805 30.300 -0.423 0.000 0.880 90 R HN 0.199 nan 8.270 nan 0.000 0.451 91 F N -0.707 119.200 119.950 -0.073 0.000 2.639 91 F HA 0.135 4.664 4.527 0.004 0.000 0.300 91 F C 1.923 177.737 175.800 0.024 0.000 1.109 91 F CA -0.842 57.169 58.000 0.018 0.000 1.335 91 F CB -0.471 38.615 39.000 0.144 0.000 1.014 91 F HN -0.038 nan 8.300 nan 0.000 0.537 92 C N 0.503 119.852 119.300 0.082 0.000 2.318 92 C HA -0.277 4.186 4.460 0.004 0.000 0.272 92 C C 2.763 177.801 174.990 0.079 0.000 1.156 92 C CA 1.863 60.910 59.018 0.049 0.000 1.783 92 C CB -0.941 26.793 27.740 -0.010 0.000 2.023 92 C HN 0.544 nan 8.230 nan 0.000 0.437 93 L N 0.217 121.477 121.223 0.062 0.000 2.162 93 L HA 0.039 4.382 4.340 0.004 0.000 0.205 93 L C 2.850 179.777 176.870 0.094 0.000 1.086 93 L CA 1.327 56.203 54.840 0.059 0.000 0.778 93 L CB -0.771 41.306 42.059 0.030 0.000 0.928 93 L HN 0.401 nan 8.230 nan 0.000 0.446 94 A N 0.102 123.011 122.820 0.147 0.000 1.930 94 A HA 0.210 4.533 4.320 0.004 0.000 0.217 94 A C 1.277 178.957 177.584 0.160 0.000 1.175 94 A CA 1.253 53.397 52.037 0.177 0.000 0.627 94 A CB -0.573 18.608 19.000 0.301 0.000 0.815 94 A HN 0.496 nan 8.150 nan 0.000 0.443 95 G N -2.511 106.406 108.800 0.196 0.000 3.306 95 G HA2 -0.002 3.960 3.960 0.004 0.000 0.672 95 G HA3 -0.002 3.960 3.960 0.004 0.000 0.672 95 G C -0.575 174.448 174.900 0.204 0.000 1.212 95 G CA -0.179 45.020 45.100 0.165 0.000 1.150 95 G HN 0.771 nan 8.290 nan 0.000 0.509 96 Y N 3.140 123.483 120.300 0.071 0.000 2.735 96 Y HA 0.604 5.155 4.550 0.003 0.000 0.354 96 Y C 0.793 176.703 175.900 0.016 0.000 1.288 96 Y CA 0.615 58.741 58.100 0.043 0.000 1.836 96 Y CB 0.185 38.699 38.460 0.089 0.000 1.920 96 Y HN 0.836 nan 8.280 nan 0.000 0.438 97 T N 0.332 114.822 114.554 -0.106 0.000 2.665 97 T HA 0.572 4.924 4.350 0.004 0.000 0.303 97 T C 0.322 174.961 174.700 -0.102 0.000 1.334 97 T CA 0.142 62.171 62.100 -0.117 0.000 1.011 97 T CB 0.466 69.321 68.868 -0.022 0.000 1.573 97 T HN 0.860 nan 8.240 nan 0.000 0.492 98 G N 0.844 109.603 108.800 -0.068 0.000 2.582 98 G HA2 -0.240 3.722 3.960 0.004 0.000 0.288 98 G HA3 -0.240 3.722 3.960 0.004 0.000 0.288 98 G C 1.037 175.900 174.900 -0.062 0.000 1.247 98 G CA 0.588 45.657 45.100 -0.052 0.000 0.972 98 G HN 0.994 nan 8.290 nan 0.000 0.557 99 L N 0.249 121.443 121.223 -0.049 0.000 2.083 99 L HA -0.036 4.306 4.340 0.004 0.000 0.209 99 L C 3.079 179.893 176.870 -0.093 0.000 1.083 99 L CA 1.579 56.394 54.840 -0.041 0.000 0.752 99 L CB -0.567 41.479 42.059 -0.022 0.000 0.899 99 L HN 0.526 nan 8.230 nan 0.000 0.433 100 I N -0.388 120.090 120.570 -0.155 0.000 2.226 100 I HA -0.296 3.876 4.170 0.004 0.000 0.245 100 I C 2.819 178.764 176.117 -0.287 0.000 1.100 100 I CA 1.021 62.145 61.300 -0.292 0.000 1.374 100 I CB -0.231 37.522 38.000 -0.412 0.000 1.057 100 I HN 0.212 nan 8.210 nan 0.000 0.413 101 R N 1.082 121.408 120.500 -0.290 0.000 2.092 101 R HA -0.088 4.254 4.340 0.004 0.000 0.231 101 R C 2.143 178.329 176.300 -0.190 0.000 1.119 101 R CA 1.673 57.541 56.100 -0.386 0.000 0.970 101 R CB -0.386 29.674 30.300 -0.399 0.000 0.864 101 R HN 0.244 nan 8.270 nan 0.000 0.440 102 M N -0.628 118.911 119.600 -0.101 0.000 2.117 102 M HA -0.076 4.406 4.480 0.004 0.000 0.262 102 M C 2.202 178.496 176.300 -0.010 0.000 1.065 102 M CA 1.891 57.180 55.300 -0.019 0.000 1.114 102 M CB -0.274 32.354 32.600 0.047 0.000 1.361 102 M HN 0.292 nan 8.290 nan 0.000 0.408 103 A N 0.382 123.185 122.820 -0.029 0.000 1.858 103 A HA -0.079 4.243 4.320 0.004 0.000 0.216 103 A C 2.368 179.959 177.584 0.011 0.000 1.190 103 A CA 1.955 53.990 52.037 -0.003 0.000 0.617 103 A CB -1.107 17.876 19.000 -0.028 0.000 0.827 103 A HN 0.488 nan 8.150 nan 0.000 0.443 104 A N -0.221 122.593 122.820 -0.009 0.000 1.940 104 A HA 0.112 4.434 4.320 0.004 0.000 0.219 104 A C 2.457 180.079 177.584 0.063 0.000 1.176 104 A CA 2.196 54.272 52.037 0.065 0.000 0.631 104 A CB -0.937 18.141 19.000 0.130 0.000 0.814 104 A HN 1.103 nan 8.150 nan 0.000 0.446 105 A N -0.630 122.199 122.820 0.015 0.000 1.969 105 A HA 0.181 4.504 4.320 0.004 0.000 0.218 105 A C 2.354 179.942 177.584 0.006 0.000 1.169 105 A CA 1.731 53.774 52.037 0.010 0.000 0.635 105 A CB -1.202 17.774 19.000 -0.039 0.000 0.810 105 A HN 0.694 nan 8.150 nan 0.000 0.445 106 G N 0.105 108.914 108.800 0.015 0.000 2.402 106 G HA2 -0.159 3.803 3.960 0.004 0.000 0.216 106 G HA3 -0.159 3.803 3.960 0.004 0.000 0.216 106 G C 1.509 176.453 174.900 0.073 0.000 1.162 106 G CA 1.079 46.202 45.100 0.037 0.000 0.777 106 G HN 0.472 nan 8.290 nan 0.000 0.539 107 I N 0.750 121.368 120.570 0.081 0.000 2.179 107 I HA -0.149 4.023 4.170 0.004 0.000 0.242 107 I C 2.427 178.600 176.117 0.093 0.000 1.088 107 I CA 1.595 62.949 61.300 0.090 0.000 1.357 107 I CB -0.269 37.786 38.000 0.092 0.000 1.051 107 I HN 0.165 nan 8.210 nan 0.000 0.409 108 D N 0.885 121.352 120.400 0.112 0.000 2.116 108 D HA -0.239 4.403 4.640 0.004 0.000 0.193 108 D C 2.337 178.777 176.300 0.233 0.000 0.998 108 D CA 1.684 55.788 54.000 0.174 0.000 0.836 108 D CB 0.020 40.944 40.800 0.205 0.000 0.951 108 D HN 0.181 nan 8.370 nan 0.000 0.449 109 M N -0.244 119.440 119.600 0.140 0.000 2.229 109 M HA -0.083 4.399 4.480 0.004 0.000 0.264 109 M C 2.254 178.619 176.300 0.108 0.000 1.063 109 M CA 1.314 56.675 55.300 0.101 0.000 1.114 109 M CB -0.119 32.463 32.600 -0.030 0.000 1.387 109 M HN 0.149 nan 8.290 nan 0.000 0.420 110 A N 0.055 122.936 122.820 0.101 0.000 1.970 110 A HA 0.128 4.451 4.320 0.004 0.000 0.216 110 A C 2.308 179.928 177.584 0.060 0.000 1.170 110 A CA 1.432 53.525 52.037 0.092 0.000 0.645 110 A CB -0.612 18.462 19.000 0.124 0.000 0.816 110 A HN 0.460 nan 8.150 nan 0.000 0.447 111 A N -1.664 121.188 122.820 0.053 0.000 1.968 111 A HA -0.068 4.254 4.320 0.004 0.000 0.217 111 A C 1.890 179.436 177.584 -0.065 0.000 1.169 111 A CA 1.058 53.075 52.037 -0.033 0.000 0.638 111 A CB -0.699 18.246 19.000 -0.092 0.000 0.812 111 A HN 0.729 nan 8.150 nan 0.000 0.446 112 W N -0.222 121.059 121.300 -0.031 0.000 2.476 112 W HA 0.010 4.672 4.660 0.004 0.000 0.281 112 W C 1.893 178.366 176.519 -0.077 0.000 1.230 112 W CA 0.920 58.238 57.345 -0.044 0.000 1.287 112 W CB -0.026 29.403 29.460 -0.052 0.000 1.108 112 W HN 0.500 nan 8.180 nan 0.000 0.567 113 D N 0.030 120.502 120.400 0.121 0.000 2.117 113 D HA -0.192 4.451 4.640 0.004 0.000 0.197 113 D C 2.188 178.462 176.300 -0.042 0.000 0.987 113 D CA 2.023 56.020 54.000 -0.005 0.000 0.829 113 D CB -0.293 40.474 40.800 -0.056 0.000 0.961 113 D HN -0.010 nan 8.370 nan 0.000 0.460 114 A N -0.178 122.613 122.820 -0.049 0.000 1.930 114 A HA -0.063 4.259 4.320 0.004 0.000 0.217 114 A C 2.112 179.648 177.584 -0.081 0.000 1.175 114 A CA 1.054 53.042 52.037 -0.081 0.000 0.627 114 A CB -0.775 18.181 19.000 -0.074 0.000 0.815 114 A HN 0.376 nan 8.150 nan 0.000 0.443 115 L N 0.043 121.230 121.223 -0.059 0.000 2.093 115 L HA -0.004 4.339 4.340 0.004 0.000 0.208 115 L C 2.406 179.291 176.870 0.025 0.000 1.085 115 L CA 2.110 56.918 54.840 -0.055 0.000 0.755 115 L CB -1.014 41.001 42.059 -0.073 0.000 0.904 115 L HN 0.312 nan 8.230 nan 0.000 0.435 116 G N -1.097 107.747 108.800 0.072 0.000 2.408 116 G HA2 -0.237 3.725 3.960 0.004 0.000 0.217 116 G HA3 -0.237 3.725 3.960 0.004 0.000 0.217 116 G C 1.707 176.616 174.900 0.015 0.000 1.150 116 G CA 0.689 45.837 45.100 0.079 0.000 0.776 116 G HN 0.369 nan 8.290 nan 0.000 0.542 117 K N -0.030 120.345 120.400 -0.041 0.000 2.057 117 K HA 0.005 4.327 4.320 0.004 0.000 0.207 117 K C 2.565 179.114 176.600 -0.085 0.000 1.049 117 K CA 0.930 57.179 56.287 -0.064 0.000 0.931 117 K CB -0.361 32.082 32.500 -0.095 0.000 0.714 117 K HN 0.159 nan 8.250 nan 0.000 0.440 118 V N 1.237 121.061 119.914 -0.149 0.000 2.324 118 V HA -0.260 3.862 4.120 0.004 0.000 0.250 118 V C 1.701 177.624 176.094 -0.285 0.000 1.060 118 V CA 1.759 63.908 62.300 -0.252 0.000 1.042 118 V CB -0.529 31.060 31.823 -0.390 0.000 0.650 118 V HN 0.386 nan 8.190 nan 0.000 0.450 119 H N -0.600 118.464 119.070 -0.011 0.000 2.517 119 H HA 0.221 4.780 4.556 0.004 0.000 0.282 119 H C 0.861 176.189 175.328 0.000 0.000 1.023 119 H CA 0.023 56.070 56.048 -0.002 0.000 1.169 119 H CB -0.232 29.535 29.762 0.008 0.000 1.454 119 H HN 0.603 nan 8.280 nan 0.000 0.556 120 E N 0.648 120.884 120.200 0.060 0.000 2.403 120 E HA -0.186 4.166 4.350 0.004 0.000 0.241 120 E C -0.135 176.495 176.600 0.050 0.000 1.201 120 E CA 0.735 57.158 56.400 0.039 0.000 0.721 120 E CB -1.198 28.521 29.700 0.032 0.000 1.245 120 E HN 0.202 nan 8.360 nan 0.000 0.392 121 T N -0.232 114.361 114.554 0.065 0.000 2.893 121 T HA 0.439 4.791 4.350 0.004 0.000 0.293 121 T C -2.735 171.996 174.700 0.052 0.000 1.027 121 T CA -2.283 59.852 62.100 0.060 0.000 0.988 121 T CB 1.568 70.480 68.868 0.073 0.000 1.043 121 T HN -0.241 nan 8.240 nan 0.000 0.461 122 P HA 0.021 nan 4.420 nan 0.000 0.263 122 P C 0.852 178.189 177.300 0.062 0.000 1.175 122 P CA -0.190 62.966 63.100 0.093 0.000 0.761 122 P CB 0.404 32.184 31.700 0.134 0.000 0.794 123 L N 5.978 127.160 121.223 -0.069 0.000 2.043 123 L HA -0.177 4.165 4.340 0.004 0.000 0.212 123 L C 2.158 179.028 176.870 -0.000 0.000 1.075 123 L CA 1.848 56.614 54.840 -0.124 0.000 0.752 123 L CB -1.160 40.643 42.059 -0.428 0.000 0.891 123 L HN 0.232 nan 8.230 nan 0.000 0.432 124 V N -0.359 119.677 119.914 0.204 0.000 2.392 124 V HA -0.332 3.790 4.120 0.004 0.000 0.249 124 V C 2.546 178.667 176.094 0.045 0.000 1.059 124 V CA 2.277 64.644 62.300 0.111 0.000 1.051 124 V CB -0.451 31.439 31.823 0.111 0.000 0.658 124 V HN 0.617 nan 8.190 nan 0.000 0.455 125 K N -0.700 119.733 120.400 0.056 0.000 2.167 125 K HA -0.054 4.268 4.320 0.004 0.000 0.203 125 K C 1.976 178.595 176.600 0.032 0.000 1.052 125 K CA 1.295 57.602 56.287 0.034 0.000 0.956 125 K CB -0.234 32.287 32.500 0.034 0.000 0.735 125 K HN 0.414 nan 8.250 nan 0.000 0.451 126 L N 1.338 122.590 121.223 0.049 0.000 2.141 126 L HA -0.084 4.258 4.340 0.004 0.000 0.209 126 L C 1.706 178.619 176.870 0.072 0.000 1.094 126 L CA 1.434 56.321 54.840 0.077 0.000 0.763 126 L CB -0.147 41.999 42.059 0.144 0.000 0.908 126 L HN 0.091 nan 8.230 nan 0.000 0.437 127 L N -0.841 120.390 121.223 0.014 0.000 2.552 127 L HA 0.192 4.534 4.340 0.004 0.000 0.227 127 L C 1.456 178.326 176.870 -0.000 0.000 1.146 127 L CA 0.635 55.458 54.840 -0.027 0.000 0.858 127 L CB -0.630 41.364 42.059 -0.108 0.000 0.969 127 L HN 0.533 nan 8.230 nan 0.000 0.451 128 G N -0.250 108.557 108.800 0.010 0.000 2.144 128 G HA2 -0.148 3.814 3.960 0.004 0.000 0.218 128 G HA3 -0.148 3.814 3.960 0.004 0.000 0.218 128 G C 0.115 175.019 174.900 0.006 0.000 0.988 128 G CA -0.062 45.045 45.100 0.010 0.000 0.659 128 G HN 0.498 nan 8.290 nan 0.000 0.522 129 A N -0.484 122.339 122.820 0.005 0.000 2.346 129 A HA 0.820 5.142 4.320 0.004 0.000 0.313 129 A C -0.019 177.564 177.584 -0.001 0.000 1.140 129 A CA -0.697 51.342 52.037 0.002 0.000 0.826 129 A CB 0.890 19.891 19.000 0.002 0.000 1.332 129 A HN 0.218 nan 8.150 nan 0.000 0.457 130 N N 0.597 119.292 118.700 -0.008 0.000 2.524 130 N HA 0.454 5.196 4.740 0.004 0.000 0.283 130 N C 0.013 175.506 175.510 -0.029 0.000 1.142 130 N CA 0.141 53.182 53.050 -0.015 0.000 0.984 130 N CB 1.515 39.992 38.487 -0.018 0.000 1.155 130 N HN 0.800 nan 8.380 nan 0.000 0.467 131 A N 2.159 124.953 122.820 -0.042 0.000 2.488 131 A HA 0.305 4.628 4.320 0.004 0.000 0.249 131 A C 0.480 178.021 177.584 -0.072 0.000 1.083 131 A CA -0.079 51.912 52.037 -0.077 0.000 0.768 131 A CB -0.006 18.940 19.000 -0.091 0.000 1.017 131 A HN 0.801 nan 8.150 nan 0.000 0.496 132 R N 1.776 122.228 120.500 -0.080 0.000 2.808 132 R HA 0.716 5.059 4.340 0.004 0.000 0.272 132 R C -3.284 172.967 176.300 -0.083 0.000 0.995 132 R CA -1.954 54.106 56.100 -0.067 0.000 0.917 132 R CB 0.513 30.784 30.300 -0.048 0.000 1.217 132 R HN 0.350 nan 8.270 nan 0.000 0.471 133 P HA 0.116 nan 4.420 nan 0.000 0.271 133 P C -1.001 176.256 177.300 -0.071 0.000 1.216 133 P CA -0.501 62.548 63.100 -0.086 0.000 0.771 133 P CB 0.943 32.599 31.700 -0.074 0.000 0.864 134 V N 3.920 123.794 119.914 -0.067 0.000 2.384 134 V HA 0.208 4.330 4.120 0.004 0.000 0.287 134 V C 0.434 176.528 176.094 -0.000 0.000 1.020 134 V CA -0.754 61.525 62.300 -0.036 0.000 0.850 134 V CB 1.078 32.892 31.823 -0.015 0.000 0.987 134 V HN 0.587 nan 8.190 nan 0.000 0.436 135 Q N 3.779 123.549 119.800 -0.051 0.000 2.330 135 Q HA 0.548 4.891 4.340 0.004 0.000 0.279 135 Q C -0.218 175.916 176.000 0.223 0.000 1.024 135 Q CA -0.024 55.764 55.803 -0.026 0.000 0.900 135 Q CB 0.874 29.390 28.738 -0.371 0.000 1.221 135 Q HN 0.833 nan 8.270 nan 0.000 0.396 136 A N 3.085 126.179 122.820 0.455 0.000 2.401 136 A HA 0.654 4.976 4.320 0.004 0.000 0.310 136 A C -1.487 176.462 177.584 0.609 0.000 1.075 136 A CA -0.902 51.462 52.037 0.545 0.000 0.746 136 A CB 0.948 20.315 19.000 0.611 0.000 1.277 136 A HN 0.758 nan 8.150 nan 0.000 0.425 137 Y N -0.439 119.986 120.300 0.208 0.000 2.528 137 Y HA 0.744 5.296 4.550 0.004 0.000 0.335 137 Y C -0.576 175.050 175.900 -0.455 0.000 1.093 137 Y CA -1.654 56.321 58.100 -0.209 0.000 1.134 137 Y CB 1.050 39.129 38.460 -0.636 0.000 1.253 137 Y HN 0.508 nan 8.280 nan 0.000 0.478 138 D N 1.062 121.138 120.400 -0.541 0.000 2.232 138 D HA 0.269 4.912 4.640 0.004 0.000 0.242 138 D C -1.090 174.758 176.300 -0.752 0.000 1.093 138 D CA -0.049 53.429 54.000 -0.868 0.000 0.845 138 D CB 1.555 41.706 40.800 -1.081 0.000 1.124 138 D HN 0.593 nan 8.370 nan 0.000 0.467 139 S N 2.897 118.215 115.700 -0.637 0.000 2.422 139 S HA 0.365 4.838 4.470 0.004 0.000 0.308 139 S C -0.663 173.688 174.600 -0.416 0.000 1.097 139 S CA -0.394 57.569 58.200 -0.394 0.000 1.099 139 S CB 0.070 63.161 63.200 -0.181 0.000 0.976 139 S HN 0.484 nan 8.310 nan 0.000 0.471 140 H N 1.110 120.115 119.070 -0.109 0.000 3.117 140 H HA 0.696 5.255 4.556 0.004 0.000 0.288 140 H C 0.536 175.826 175.328 -0.064 0.000 1.604 140 H CA -0.986 54.983 56.048 -0.132 0.000 1.488 140 H CB 1.364 31.023 29.762 -0.172 0.000 1.813 140 H HN 0.635 nan 8.280 nan 0.000 0.817 141 S N -0.147 115.620 115.700 0.113 0.000 2.998 141 S HA 0.282 4.754 4.470 0.004 0.000 0.307 141 S C -0.618 174.050 174.600 0.114 0.000 1.063 141 S CA -0.894 57.368 58.200 0.104 0.000 0.895 141 S CB 0.357 63.627 63.200 0.118 0.000 1.362 141 S HN 0.393 nan 8.310 nan 0.000 0.657 142 L N 2.061 123.356 121.223 0.121 0.000 2.415 142 L HA 0.365 4.708 4.340 0.004 0.000 0.269 142 L C -0.507 176.437 176.870 0.124 0.000 1.244 142 L CA 0.323 55.198 54.840 0.059 0.000 1.113 142 L CB -0.732 41.279 42.059 -0.080 0.000 1.352 142 L HN 0.531 nan 8.230 nan 0.000 0.433 143 D N 3.243 123.732 120.400 0.148 0.000 2.369 143 D HA 0.275 4.917 4.640 0.004 0.000 0.211 143 D C 1.029 177.373 176.300 0.073 0.000 1.077 143 D CA 0.826 54.883 54.000 0.095 0.000 0.842 143 D CB 0.376 41.215 40.800 0.064 0.000 0.947 143 D HN 0.628 nan 8.370 nan 0.000 0.509 144 G N 0.403 109.292 108.800 0.149 0.000 2.785 144 G HA2 -0.269 3.694 3.960 0.004 0.000 0.685 144 G HA3 -0.269 3.694 3.960 0.004 0.000 0.685 144 G C 1.082 175.963 174.900 -0.033 0.000 1.480 144 G CA -0.420 44.691 45.100 0.019 0.000 0.915 144 G HN 0.050 nan 8.290 nan 0.000 0.576 145 V N 1.693 121.548 119.914 -0.098 0.000 2.220 145 V HA -0.271 3.852 4.120 0.004 0.000 0.250 145 V C 2.982 179.038 176.094 -0.063 0.000 1.056 145 V CA 3.185 65.430 62.300 -0.090 0.000 1.016 145 V CB -0.765 30.993 31.823 -0.108 0.000 0.639 145 V HN 0.956 nan 8.190 nan 0.000 0.446 146 K N -0.471 119.897 120.400 -0.054 0.000 1.985 146 K HA -0.201 4.122 4.320 0.004 0.000 0.210 146 K C 2.193 178.767 176.600 -0.042 0.000 1.047 146 K CA 1.856 58.116 56.287 -0.045 0.000 0.932 146 K CB -0.339 32.140 32.500 -0.035 0.000 0.716 146 K HN 0.283 nan 8.250 nan 0.000 0.439 147 L N 1.043 122.250 121.223 -0.027 0.000 2.083 147 L HA -0.076 4.267 4.340 0.004 0.000 0.209 147 L C 2.169 178.985 176.870 -0.089 0.000 1.083 147 L CA 2.011 56.833 54.840 -0.029 0.000 0.752 147 L CB -0.607 41.467 42.059 0.025 0.000 0.899 147 L HN 0.297 nan 8.230 nan 0.000 0.433 148 A N -2.003 120.777 122.820 -0.067 0.000 1.968 148 A HA -0.131 4.191 4.320 0.004 0.000 0.217 148 A C 2.216 179.740 177.584 -0.100 0.000 1.169 148 A CA 1.900 53.888 52.037 -0.082 0.000 0.638 148 A CB -0.940 18.051 19.000 -0.015 0.000 0.812 148 A HN 0.482 nan 8.150 nan 0.000 0.446 149 T N -0.032 114.470 114.554 -0.086 0.000 2.821 149 T HA -0.104 4.249 4.350 0.004 0.000 0.267 149 T C 1.736 176.369 174.700 -0.112 0.000 1.046 149 T CA 1.544 63.588 62.100 -0.095 0.000 1.139 149 T CB -0.186 68.635 68.868 -0.080 0.000 0.871 149 T HN 0.641 nan 8.240 nan 0.000 0.454 150 E N 1.057 121.193 120.200 -0.107 0.000 2.031 150 E HA -0.090 4.262 4.350 0.004 0.000 0.193 150 E C 2.526 179.030 176.600 -0.160 0.000 0.994 150 E CA 0.890 57.227 56.400 -0.104 0.000 0.800 150 E CB -0.099 29.560 29.700 -0.069 0.000 0.752 150 E HN 0.372 nan 8.360 nan 0.000 0.447 151 R N 0.256 120.591 120.500 -0.274 0.000 2.152 151 R HA -0.057 4.286 4.340 0.004 0.000 0.232 151 R C 2.188 178.288 176.300 -0.332 0.000 1.117 151 R CA 0.900 56.715 56.100 -0.474 0.000 0.981 151 R CB -0.135 29.597 30.300 -0.947 0.000 0.870 151 R HN 0.104 nan 8.270 nan 0.000 0.451 152 A N 0.474 123.186 122.820 -0.180 0.000 1.930 152 A HA -0.034 4.288 4.320 0.004 0.000 0.215 152 A C 2.267 179.780 177.584 -0.118 0.000 1.176 152 A CA 0.780 52.781 52.037 -0.059 0.000 0.632 152 A CB -0.196 18.752 19.000 -0.087 0.000 0.819 152 A HN 0.083 nan 8.150 nan 0.000 0.445 153 V N -0.021 119.810 119.914 -0.137 0.000 2.307 153 V HA -0.220 3.903 4.120 0.004 0.000 0.245 153 V C 2.752 178.816 176.094 -0.051 0.000 1.045 153 V CA 2.474 64.701 62.300 -0.122 0.000 1.024 153 V CB -1.257 30.505 31.823 -0.102 0.000 0.651 153 V HN 0.600 nan 8.190 nan 0.000 0.449 154 T N 0.686 115.215 114.554 -0.041 0.000 2.665 154 T HA -0.263 4.089 4.350 0.004 0.000 0.268 154 T C 2.052 176.806 174.700 0.090 0.000 1.035 154 T CA 1.877 63.981 62.100 0.006 0.000 1.151 154 T CB -0.529 68.320 68.868 -0.032 0.000 0.862 154 T HN 0.584 nan 8.240 nan 0.000 0.438 155 A N 1.451 124.352 122.820 0.134 0.000 1.902 155 A HA 0.143 4.465 4.320 0.004 0.000 0.217 155 A C 2.672 180.510 177.584 0.422 0.000 1.181 155 A CA 1.901 54.134 52.037 0.326 0.000 0.623 155 A CB -1.146 18.041 19.000 0.311 0.000 0.818 155 A HN 0.533 nan 8.150 nan 0.000 0.443 156 A N -0.307 122.688 122.820 0.292 0.000 1.972 156 A HA -0.156 4.166 4.320 0.004 0.000 0.219 156 A C 1.877 179.567 177.584 0.178 0.000 1.169 156 A CA 1.599 53.817 52.037 0.301 0.000 0.635 156 A CB -0.481 18.519 19.000 -0.001 0.000 0.810 156 A HN 0.655 nan 8.150 nan 0.000 0.446 157 E N -0.306 119.960 120.200 0.111 0.000 2.204 157 E HA -0.053 4.299 4.350 0.004 0.000 0.194 157 E C 1.293 177.939 176.600 0.077 0.000 0.989 157 E CA 0.703 57.147 56.400 0.073 0.000 0.824 157 E CB -0.191 29.536 29.700 0.046 0.000 0.756 157 E HN 0.625 nan 8.360 nan 0.000 0.477 158 L N -0.443 120.853 121.223 0.122 0.000 2.627 158 L HA 0.135 4.477 4.340 0.004 0.000 0.233 158 L C 1.394 178.221 176.870 -0.071 0.000 1.144 158 L CA 0.398 55.279 54.840 0.068 0.000 0.892 158 L CB 0.076 42.244 42.059 0.183 0.000 1.039 158 L HN 0.304 nan 8.230 nan 0.000 0.442 159 G N -0.834 107.959 108.800 -0.012 0.000 2.194 159 G HA2 -0.277 3.685 3.960 0.004 0.000 0.236 159 G HA3 -0.277 3.685 3.960 0.004 0.000 0.236 159 G C 0.186 175.018 174.900 -0.114 0.000 0.987 159 G CA -0.570 44.477 45.100 -0.088 0.000 0.635 159 G HN 0.138 nan 8.290 nan 0.000 0.520 160 F N 0.780 120.808 119.950 0.130 0.000 2.506 160 F HA 0.519 5.049 4.527 0.004 0.000 0.351 160 F C 1.871 177.702 175.800 0.052 0.000 1.136 160 F CA 0.160 58.222 58.000 0.102 0.000 1.298 160 F CB 0.663 39.713 39.000 0.083 0.000 1.145 160 F HN -0.064 nan 8.300 nan 0.000 0.593 161 R N 1.280 121.819 120.500 0.065 0.000 2.432 161 R HA 0.572 4.915 4.340 0.004 0.000 0.260 161 R C -0.568 175.109 176.300 -1.039 0.000 0.935 161 R CA -0.044 55.856 56.100 -0.334 0.000 1.080 161 R CB 0.445 30.740 30.300 -0.009 0.000 1.155 161 R HN 0.589 nan 8.270 nan 0.000 0.531 162 A N 0.313 122.594 122.820 -0.899 0.000 2.594 162 A HA 0.542 4.864 4.320 0.004 0.000 0.296 162 A C -1.066 176.261 177.584 -0.428 0.000 1.061 162 A CA -0.750 50.753 52.037 -0.891 0.000 0.689 162 A CB 1.324 19.747 19.000 -0.962 0.000 1.280 162 A HN -0.009 nan 8.150 nan 0.000 0.406 163 V N -1.252 118.498 119.914 -0.274 0.000 3.040 163 V HA 0.866 4.988 4.120 0.004 0.000 0.312 163 V C -0.507 175.369 176.094 -0.363 0.000 1.115 163 V CA -0.980 61.202 62.300 -0.197 0.000 0.998 163 V CB 1.842 33.696 31.823 0.052 0.000 1.042 163 V HN 1.042 nan 8.190 nan 0.000 0.433 164 K N 1.133 121.335 120.400 -0.329 0.000 2.323 164 K HA 0.660 4.982 4.320 0.004 0.000 0.259 164 K C -0.669 175.829 176.600 -0.170 0.000 0.947 164 K CA -0.193 55.895 56.287 -0.331 0.000 0.819 164 K CB 1.838 34.199 32.500 -0.232 0.000 1.109 164 K HN 1.064 nan 8.250 nan 0.000 0.429 165 T N 2.551 117.025 114.554 -0.134 0.000 2.940 165 T HA 0.435 4.787 4.350 0.004 0.000 0.288 165 T C -1.032 173.629 174.700 -0.064 0.000 1.033 165 T CA -0.695 61.373 62.100 -0.052 0.000 1.033 165 T CB 0.929 69.779 68.868 -0.030 0.000 1.079 165 T HN 0.436 nan 8.240 nan 0.000 0.496 166 K N 2.610 122.994 120.400 -0.028 0.000 2.156 166 K HA 0.668 4.990 4.320 0.004 0.000 0.271 166 K C -0.011 176.519 176.600 -0.117 0.000 0.995 166 K CA -0.495 55.750 56.287 -0.070 0.000 0.890 166 K CB 0.729 33.209 32.500 -0.034 0.000 1.073 166 K HN 0.585 nan 8.250 nan 0.000 0.454 167 I N -2.710 117.715 120.570 -0.243 0.000 3.580 167 I HA 0.808 4.980 4.170 0.004 0.000 0.296 167 I C 0.108 176.070 176.117 -0.259 0.000 1.146 167 I CA -1.311 59.836 61.300 -0.254 0.000 1.051 167 I CB 1.803 39.615 38.000 -0.313 0.000 1.364 167 I HN 0.562 nan 8.210 nan 0.000 0.482 168 G N 0.609 109.415 108.800 0.011 0.000 2.427 168 G HA2 -0.136 3.826 3.960 0.004 0.000 0.193 168 G HA3 -0.136 3.826 3.960 0.004 0.000 0.193 168 G C -0.876 174.014 174.900 -0.017 0.000 1.086 168 G CA -0.574 44.662 45.100 0.227 0.000 0.818 168 G HN 0.592 nan 8.290 nan 0.000 0.490 169 Y N -0.686 119.680 120.300 0.111 0.000 2.340 169 Y HA 0.457 5.009 4.550 0.004 0.000 0.327 169 Y C -0.400 175.534 175.900 0.058 0.000 1.321 169 Y CA -1.528 56.608 58.100 0.061 0.000 1.433 169 Y CB 0.573 39.054 38.460 0.036 0.000 1.373 169 Y HN 0.046 nan 8.280 nan 0.000 0.538 170 P HA -0.085 nan 4.420 nan 0.000 0.218 170 P C -0.834 176.526 177.300 0.100 0.000 1.148 170 P CA 1.581 64.751 63.100 0.116 0.000 0.822 170 P CB 0.275 32.030 31.700 0.091 0.000 0.784 171 A N -1.433 121.458 122.820 0.119 0.000 2.386 171 A HA 0.377 4.699 4.320 0.004 0.000 0.311 171 A C 0.656 178.300 177.584 0.101 0.000 1.068 171 A CA -0.534 51.552 52.037 0.081 0.000 0.743 171 A CB 0.719 19.747 19.000 0.047 0.000 1.258 171 A HN -0.002 nan 8.150 nan 0.000 0.429 172 L N 1.158 122.431 121.223 0.084 0.000 2.081 172 L HA -0.179 4.164 4.340 0.004 0.000 0.212 172 L C 1.500 178.410 176.870 0.067 0.000 1.080 172 L CA 2.651 57.548 54.840 0.094 0.000 0.754 172 L CB -0.591 41.508 42.059 0.066 0.000 0.893 172 L HN 0.786 nan 8.230 nan 0.000 0.433 173 D N -0.893 119.528 120.400 0.035 0.000 2.182 173 D HA -0.233 4.410 4.640 0.004 0.000 0.201 173 D C 2.095 178.377 176.300 -0.029 0.000 0.986 173 D CA 1.409 55.411 54.000 0.003 0.000 0.847 173 D CB -0.014 40.782 40.800 -0.007 0.000 0.942 173 D HN 0.546 nan 8.370 nan 0.000 0.467 174 Q N 0.396 120.171 119.800 -0.041 0.000 2.079 174 Q HA -0.111 4.231 4.340 0.004 0.000 0.200 174 Q C 1.711 177.607 176.000 -0.173 0.000 0.974 174 Q CA 1.011 56.704 55.803 -0.183 0.000 0.840 174 Q CB 0.118 28.706 28.738 -0.250 0.000 0.898 174 Q HN 0.193 nan 8.270 nan 0.000 0.430 175 D N 0.402 120.835 120.400 0.055 0.000 2.104 175 D HA -0.166 4.477 4.640 0.004 0.000 0.194 175 D C 1.793 178.111 176.300 0.030 0.000 0.994 175 D CA 1.126 55.203 54.000 0.128 0.000 0.830 175 D CB -0.172 40.742 40.800 0.190 0.000 0.959 175 D HN 0.232 nan 8.370 nan 0.000 0.452 176 L N 0.477 121.710 121.223 0.017 0.000 2.141 176 L HA -0.059 4.283 4.340 0.004 0.000 0.209 176 L C 2.510 179.361 176.870 -0.033 0.000 1.094 176 L CA 0.775 55.614 54.840 -0.002 0.000 0.763 176 L CB -0.393 41.669 42.059 0.006 0.000 0.908 176 L HN -0.037 nan 8.230 nan 0.000 0.437 177 A N 0.077 122.859 122.820 -0.063 0.000 1.877 177 A HA -0.160 4.163 4.320 0.004 0.000 0.216 177 A C 2.364 179.896 177.584 -0.087 0.000 1.186 177 A CA 1.896 53.883 52.037 -0.083 0.000 0.620 177 A CB -0.860 18.068 19.000 -0.120 0.000 0.822 177 A HN 0.161 nan 8.150 nan 0.000 0.443 178 V N -0.436 119.414 119.914 -0.107 0.000 2.287 178 V HA -0.252 3.871 4.120 0.004 0.000 0.248 178 V C 2.578 178.642 176.094 -0.049 0.000 1.053 178 V CA 2.079 64.331 62.300 -0.079 0.000 1.027 178 V CB -0.866 30.927 31.823 -0.051 0.000 0.646 178 V HN 0.368 nan 8.190 nan 0.000 0.447 179 V N -0.292 119.599 119.914 -0.038 0.000 2.332 179 V HA -0.281 3.842 4.120 0.004 0.000 0.248 179 V C 2.603 178.675 176.094 -0.036 0.000 1.055 179 V CA 2.213 64.492 62.300 -0.036 0.000 1.038 179 V CB -0.740 31.066 31.823 -0.028 0.000 0.651 179 V HN 0.476 nan 8.190 nan 0.000 0.450 180 R N -0.433 120.045 120.500 -0.036 0.000 2.075 180 R HA -0.129 4.214 4.340 0.004 0.000 0.232 180 R C 2.670 178.944 176.300 -0.043 0.000 1.126 180 R CA 1.576 57.655 56.100 -0.035 0.000 0.963 180 R CB -0.572 29.708 30.300 -0.032 0.000 0.858 180 R HN 0.462 nan 8.270 nan 0.000 0.435 181 S N 0.598 116.267 115.700 -0.052 0.000 2.382 181 S HA -0.076 4.396 4.470 0.004 0.000 0.228 181 S C 1.905 176.465 174.600 -0.066 0.000 1.027 181 S CA 0.969 59.134 58.200 -0.058 0.000 0.991 181 S CB -0.091 63.071 63.200 -0.064 0.000 0.823 181 S HN 0.199 nan 8.310 nan 0.000 0.469 182 I N 0.809 121.340 120.570 -0.065 0.000 2.202 182 I HA -0.112 4.060 4.170 0.004 0.000 0.242 182 I C 2.762 178.827 176.117 -0.087 0.000 1.091 182 I CA 1.299 62.551 61.300 -0.081 0.000 1.368 182 I CB -0.351 37.614 38.000 -0.059 0.000 1.058 182 I HN 0.247 nan 8.210 nan 0.000 0.410 183 R N 1.269 121.736 120.500 -0.056 0.000 2.091 183 R HA -0.215 4.128 4.340 0.004 0.000 0.238 183 R C 2.189 178.456 176.300 -0.055 0.000 1.136 183 R CA 1.729 57.803 56.100 -0.043 0.000 0.959 183 R CB -0.579 29.709 30.300 -0.020 0.000 0.856 183 R HN 0.354 nan 8.270 nan 0.000 0.437 184 Q N -0.953 118.815 119.800 -0.054 0.000 2.096 184 Q HA -0.201 4.141 4.340 0.004 0.000 0.208 184 Q C 1.967 177.926 176.000 -0.069 0.000 0.993 184 Q CA 2.327 58.099 55.803 -0.052 0.000 0.862 184 Q CB -0.251 28.457 28.738 -0.049 0.000 0.915 184 Q HN 0.524 nan 8.270 nan 0.000 0.416 185 A N -0.230 122.534 122.820 -0.093 0.000 1.930 185 A HA -0.070 4.252 4.320 0.004 0.000 0.215 185 A C 1.977 179.465 177.584 -0.161 0.000 1.176 185 A CA 1.349 53.317 52.037 -0.115 0.000 0.632 185 A CB -0.156 18.768 19.000 -0.126 0.000 0.819 185 A HN 0.342 nan 8.150 nan 0.000 0.445 186 V N -3.758 116.024 119.914 -0.221 0.000 3.660 186 V HA 0.541 4.663 4.120 0.004 0.000 0.276 186 V C 1.049 177.042 176.094 -0.167 0.000 1.317 186 V CA 0.154 62.248 62.300 -0.343 0.000 1.097 186 V CB -1.273 30.057 31.823 -0.821 0.000 0.863 186 V HN 1.605 nan 8.190 nan 0.000 0.438 187 G N 0.995 109.747 108.800 -0.080 0.000 2.814 187 G HA2 -0.204 3.758 3.960 0.004 0.000 0.677 187 G HA3 -0.204 3.758 3.960 0.004 0.000 0.677 187 G C -0.142 174.780 174.900 0.038 0.000 1.429 187 G CA 0.061 45.154 45.100 -0.012 0.000 0.868 187 G HN 0.311 nan 8.290 nan 0.000 0.553 188 D N -0.307 120.119 120.400 0.042 0.000 2.350 188 D HA -0.046 4.597 4.640 0.004 0.000 0.216 188 D C 1.584 177.934 176.300 0.083 0.000 0.968 188 D CA 0.903 54.935 54.000 0.054 0.000 0.894 188 D CB 0.144 40.966 40.800 0.036 0.000 0.909 188 D HN 0.458 nan 8.370 nan 0.000 0.520 189 D N -0.275 120.191 120.400 0.111 0.000 2.194 189 D HA -0.065 4.577 4.640 0.004 0.000 0.204 189 D C 0.479 176.879 176.300 0.167 0.000 0.964 189 D CA 0.064 54.139 54.000 0.125 0.000 0.846 189 D CB 0.147 41.024 40.800 0.128 0.000 0.962 189 D HN 0.090 nan 8.370 nan 0.000 0.490 190 F N 0.836 120.790 119.950 0.007 0.000 2.459 190 F HA 0.326 4.856 4.527 0.004 0.000 0.346 190 F C 1.192 176.965 175.800 -0.046 0.000 1.128 190 F CA -0.224 57.773 58.000 -0.004 0.000 1.268 190 F CB 0.992 39.984 39.000 -0.012 0.000 1.161 190 F HN -0.217 nan 8.300 nan 0.000 0.583 191 G N 5.987 114.585 108.800 -0.336 0.000 2.355 191 G HA2 0.460 4.422 3.960 0.004 0.000 0.276 191 G HA3 0.460 4.422 3.960 0.004 0.000 0.276 191 G C -0.914 173.820 174.900 -0.277 0.000 1.198 191 G CA -0.537 44.369 45.100 -0.324 0.000 0.876 191 G HN 0.633 nan 8.290 nan 0.000 0.478 192 I N 2.621 123.050 120.570 -0.234 0.000 2.411 192 I HA 0.257 4.429 4.170 0.004 0.000 0.284 192 I C -0.341 175.526 176.117 -0.416 0.000 1.012 192 I CA -0.510 60.649 61.300 -0.235 0.000 1.119 192 I CB 1.834 39.777 38.000 -0.096 0.000 1.261 192 I HN 0.253 nan 8.210 nan 0.000 0.448 193 M N 6.870 126.090 119.600 -0.634 0.000 2.367 193 M HA 0.527 5.010 4.480 0.004 0.000 0.339 193 M C -0.374 175.657 176.300 -0.449 0.000 1.177 193 M CA -0.663 54.138 55.300 -0.832 0.000 1.068 193 M CB 1.935 33.603 32.600 -1.554 0.000 1.602 193 M HN 0.398 nan 8.290 nan 0.000 0.457 194 V N -1.359 118.395 119.914 -0.266 0.000 2.735 194 V HA 0.772 4.894 4.120 0.004 0.000 0.310 194 V C -1.508 174.536 176.094 -0.083 0.000 1.061 194 V CA -0.627 61.567 62.300 -0.176 0.000 0.913 194 V CB 2.021 33.726 31.823 -0.198 0.000 1.005 194 V HN 0.776 nan 8.190 nan 0.000 0.428 195 D N 2.029 122.352 120.400 -0.127 0.000 2.492 195 D HA 0.426 5.068 4.640 0.004 0.000 0.248 195 D C -0.431 175.794 176.300 -0.125 0.000 1.101 195 D CA -0.341 53.638 54.000 -0.036 0.000 0.840 195 D CB 1.865 42.686 40.800 0.036 0.000 1.209 195 D HN 0.599 nan 8.370 nan 0.000 0.524 196 Y N 2.457 122.777 120.300 0.033 0.000 2.500 196 Y HA 0.115 4.667 4.550 0.004 0.000 0.270 196 Y C 0.852 176.750 175.900 -0.003 0.000 1.134 196 Y CA 0.057 58.161 58.100 0.006 0.000 1.293 196 Y CB -0.236 38.226 38.460 0.004 0.000 1.063 196 Y HN 0.481 nan 8.280 nan 0.000 0.534 197 N N 1.357 120.145 118.700 0.146 0.000 2.714 197 N HA -0.322 4.421 4.740 0.004 0.000 0.252 197 N C -0.301 175.254 175.510 0.074 0.000 1.014 197 N CA 0.990 54.093 53.050 0.089 0.000 0.735 197 N CB -1.130 37.398 38.487 0.069 0.000 0.924 197 N HN 0.428 nan 8.380 nan 0.000 0.540 198 Q N -3.704 116.144 119.800 0.080 0.000 2.489 198 Q HA -0.266 4.076 4.340 0.004 0.000 0.259 198 Q C 0.775 176.777 176.000 0.003 0.000 0.934 198 Q CA 1.083 56.905 55.803 0.031 0.000 1.131 198 Q CB -2.074 26.670 28.738 0.009 0.000 1.472 198 Q HN 0.763 nan 8.270 nan 0.000 0.560 199 S N -1.240 114.476 115.700 0.027 0.000 2.593 199 S HA 0.280 4.752 4.470 0.004 0.000 0.217 199 S C 0.658 175.220 174.600 -0.064 0.000 0.966 199 S CA -0.174 58.027 58.200 0.002 0.000 0.914 199 S CB 0.353 63.586 63.200 0.054 0.000 0.776 199 S HN 0.339 nan 8.310 nan 0.000 0.523 200 L N 1.924 123.061 121.223 -0.143 0.000 2.322 200 L HA 0.581 4.924 4.340 0.004 0.000 0.269 200 L C -0.540 176.234 176.870 -0.160 0.000 1.012 200 L CA -1.221 53.503 54.840 -0.194 0.000 0.815 200 L CB 1.408 43.248 42.059 -0.364 0.000 1.295 200 L HN 0.181 nan 8.230 nan 0.000 0.438 201 D N -0.374 119.945 120.400 -0.134 0.000 2.387 201 D HA 0.239 4.881 4.640 0.004 0.000 0.251 201 D C 0.781 176.999 176.300 -0.137 0.000 1.141 201 D CA -0.742 53.189 54.000 -0.116 0.000 0.987 201 D CB 1.183 41.936 40.800 -0.078 0.000 1.116 201 D HN 0.119 nan 8.370 nan 0.000 0.491 202 V N 0.897 120.738 119.914 -0.122 0.000 2.287 202 V HA -0.144 3.978 4.120 0.004 0.000 0.248 202 V C -0.892 175.144 176.094 -0.098 0.000 1.053 202 V CA 1.859 64.086 62.300 -0.122 0.000 1.027 202 V CB -1.463 30.302 31.823 -0.095 0.000 0.646 202 V HN 0.631 nan 8.190 nan 0.000 0.447 203 P HA -0.152 nan 4.420 nan 0.000 0.215 203 P C 1.692 178.950 177.300 -0.071 0.000 1.153 203 P CA 2.055 65.118 63.100 -0.060 0.000 0.853 203 P CB -0.163 31.510 31.700 -0.046 0.000 0.788 204 A N -0.188 122.578 122.820 -0.089 0.000 1.930 204 A HA -0.071 4.252 4.320 0.004 0.000 0.217 204 A C 2.293 179.790 177.584 -0.145 0.000 1.175 204 A CA 1.977 53.952 52.037 -0.103 0.000 0.627 204 A CB -1.544 17.386 19.000 -0.116 0.000 0.815 204 A HN 0.193 nan 8.150 nan 0.000 0.443 205 A N -0.195 122.515 122.820 -0.183 0.000 1.968 205 A HA 0.025 4.348 4.320 0.004 0.000 0.217 205 A C 2.074 179.584 177.584 -0.123 0.000 1.169 205 A CA 1.266 53.168 52.037 -0.226 0.000 0.638 205 A CB -0.514 18.338 19.000 -0.247 0.000 0.812 205 A HN 0.486 nan 8.150 nan 0.000 0.446 206 I N -0.467 120.051 120.570 -0.086 0.000 2.252 206 I HA -0.250 3.922 4.170 0.004 0.000 0.245 206 I C 2.559 178.660 176.117 -0.027 0.000 1.102 206 I CA 1.796 63.069 61.300 -0.045 0.000 1.385 206 I CB -0.248 37.730 38.000 -0.037 0.000 1.064 206 I HN 0.388 nan 8.210 nan 0.000 0.414 207 K N 1.267 121.647 120.400 -0.034 0.000 2.025 207 K HA -0.158 4.164 4.320 0.004 0.000 0.207 207 K C 2.340 178.940 176.600 0.000 0.000 1.049 207 K CA 1.332 57.609 56.287 -0.016 0.000 0.933 207 K CB 0.007 32.495 32.500 -0.021 0.000 0.714 207 K HN 0.208 nan 8.250 nan 0.000 0.438 208 R N 0.019 120.512 120.500 -0.011 0.000 2.090 208 R HA -0.010 4.332 4.340 0.004 0.000 0.228 208 R C 2.453 178.807 176.300 0.089 0.000 1.110 208 R CA 1.383 57.510 56.100 0.043 0.000 0.973 208 R CB -0.142 30.176 30.300 0.031 0.000 0.869 208 R HN 0.150 nan 8.270 nan 0.000 0.440 209 S N 1.233 116.973 115.700 0.067 0.000 2.383 209 S HA -0.134 4.338 4.470 0.004 0.000 0.227 209 S C 1.843 176.485 174.600 0.070 0.000 1.026 209 S CA 1.066 59.326 58.200 0.100 0.000 0.981 209 S CB -0.044 63.202 63.200 0.076 0.000 0.818 209 S HN 0.366 nan 8.310 nan 0.000 0.472 210 Q N 0.732 120.558 119.800 0.044 0.000 2.167 210 Q HA 0.018 4.361 4.340 0.004 0.000 0.202 210 Q C 2.486 178.509 176.000 0.039 0.000 0.970 210 Q CA 1.199 57.023 55.803 0.036 0.000 0.855 210 Q CB -0.330 28.422 28.738 0.023 0.000 0.911 210 Q HN 0.596 nan 8.270 nan 0.000 0.438 211 A N 0.957 123.803 122.820 0.043 0.000 1.877 211 A HA -0.157 4.165 4.320 0.004 0.000 0.216 211 A C 2.045 179.657 177.584 0.047 0.000 1.186 211 A CA 1.086 53.148 52.037 0.041 0.000 0.620 211 A CB -0.677 18.349 19.000 0.045 0.000 0.822 211 A HN 0.288 nan 8.150 nan 0.000 0.443 212 L N -0.608 120.654 121.223 0.066 0.000 2.131 212 L HA -0.239 4.103 4.340 0.004 0.000 0.210 212 L C 2.856 179.753 176.870 0.046 0.000 1.092 212 L CA 1.691 56.566 54.840 0.059 0.000 0.759 212 L CB -0.449 41.661 42.059 0.085 0.000 0.903 212 L HN 0.642 nan 8.230 nan 0.000 0.435 213 Q N -0.158 119.673 119.800 0.051 0.000 2.119 213 Q HA -0.258 4.084 4.340 0.004 0.000 0.201 213 Q C 2.126 178.146 176.000 0.034 0.000 0.972 213 Q CA 1.343 57.174 55.803 0.045 0.000 0.847 213 Q CB 0.106 28.873 28.738 0.048 0.000 0.903 213 Q HN 0.369 nan 8.270 nan 0.000 0.433 214 Q N 0.277 120.096 119.800 0.030 0.000 2.291 214 Q HA -0.089 4.253 4.340 0.004 0.000 0.205 214 Q C 1.246 177.258 176.000 0.020 0.000 0.970 214 Q CA 0.938 56.756 55.803 0.024 0.000 0.876 214 Q CB 0.223 28.974 28.738 0.021 0.000 0.935 214 Q HN 0.380 nan 8.270 nan 0.000 0.455 215 E N -1.095 119.116 120.200 0.019 0.000 2.481 215 E HA 0.125 4.477 4.350 0.004 0.000 0.195 215 E C 0.574 177.180 176.600 0.010 0.000 1.047 215 E CA 0.670 57.077 56.400 0.011 0.000 0.867 215 E CB 0.222 29.925 29.700 0.006 0.000 0.858 215 E HN 0.342 nan 8.360 nan 0.000 0.513 216 G N 1.600 110.409 108.800 0.015 0.000 2.203 216 G HA2 -0.256 3.707 3.960 0.004 0.000 0.231 216 G HA3 -0.256 3.707 3.960 0.004 0.000 0.231 216 G C 0.480 175.379 174.900 -0.002 0.000 1.058 216 G CA 0.290 45.398 45.100 0.013 0.000 0.781 216 G HN 0.236 nan 8.290 nan 0.000 0.496 217 V N -2.396 117.513 119.914 -0.008 0.000 3.003 217 V HA 0.703 4.825 4.120 0.004 0.000 0.305 217 V C 1.586 177.653 176.094 -0.045 0.000 1.078 217 V CA 0.881 63.152 62.300 -0.048 0.000 1.083 217 V CB 0.859 32.654 31.823 -0.047 0.000 1.039 217 V HN 0.320 nan 8.190 nan 0.000 0.481 218 T N 2.107 116.576 114.554 -0.141 0.000 2.737 218 T HA 0.040 4.393 4.350 0.004 0.000 0.265 218 T C 0.246 174.982 174.700 0.061 0.000 1.038 218 T CA 2.323 64.344 62.100 -0.131 0.000 1.144 218 T CB -0.308 68.299 68.868 -0.436 0.000 0.866 218 T HN 1.079 nan 8.240 nan 0.000 0.434 219 W N -0.681 120.568 121.300 -0.086 0.000 3.066 219 W HA 0.701 5.364 4.660 0.006 0.000 0.330 219 W C -2.427 174.062 176.519 -0.051 0.000 1.253 219 W CA -2.076 55.241 57.345 -0.047 0.000 1.187 219 W CB 0.283 29.712 29.460 -0.051 0.000 1.434 219 W HN -0.179 nan 8.180 nan 0.000 0.572 220 I N 2.250 123.032 120.570 0.353 0.000 2.389 220 I HA 0.264 4.437 4.170 0.004 0.000 0.288 220 I C -0.259 176.002 176.117 0.240 0.000 0.999 220 I CA -0.850 60.615 61.300 0.275 0.000 1.129 220 I CB 1.766 39.901 38.000 0.224 0.000 1.288 220 I HN 0.583 nan 8.210 nan 0.000 0.444 221 E N 6.376 126.724 120.200 0.248 0.000 2.179 221 E HA 0.213 4.565 4.350 0.004 0.000 0.275 221 E C -0.523 176.162 176.600 0.141 0.000 0.945 221 E CA -0.481 55.985 56.400 0.110 0.000 0.792 221 E CB 0.918 30.704 29.700 0.144 0.000 1.125 221 E HN 0.494 nan 8.360 nan 0.000 0.397 222 E N 3.627 123.884 120.200 0.096 0.000 2.023 222 E HA -0.189 4.163 4.350 0.004 0.000 0.164 222 E C -1.747 174.980 176.600 0.213 0.000 1.456 222 E CA -0.004 56.510 56.400 0.189 0.000 0.617 222 E CB -0.338 29.399 29.700 0.062 0.000 1.042 222 E HN 0.528 nan 8.360 nan 0.000 0.301 223 P HA -0.173 nan 4.420 nan 0.000 0.218 223 P C 0.760 177.967 177.300 -0.154 0.000 1.148 223 P CA 1.349 64.441 63.100 -0.012 0.000 0.822 223 P CB 0.428 32.081 31.700 -0.078 0.000 0.784 224 T N -1.839 112.585 114.554 -0.218 0.000 2.716 224 T HA 0.448 4.800 4.350 0.004 0.000 0.286 224 T C -0.743 173.926 174.700 -0.052 0.000 1.052 224 T CA -0.946 61.032 62.100 -0.204 0.000 1.024 224 T CB 0.333 69.002 68.868 -0.332 0.000 1.349 224 T HN -0.219 nan 8.240 nan 0.000 0.525 225 L N 2.963 124.124 121.223 -0.105 0.000 2.615 225 L HA 0.018 4.360 4.340 0.004 0.000 0.284 225 L C 2.006 178.796 176.870 -0.133 0.000 1.237 225 L CA 0.009 54.751 54.840 -0.164 0.000 0.905 225 L CB 0.473 42.330 42.059 -0.337 0.000 1.149 225 L HN 0.806 nan 8.230 nan 0.000 0.499 226 Q N 2.822 122.557 119.800 -0.109 0.000 2.119 226 Q HA -0.219 4.124 4.340 0.004 0.000 0.201 226 Q C 1.787 177.763 176.000 -0.039 0.000 0.972 226 Q CA 2.097 57.877 55.803 -0.039 0.000 0.847 226 Q CB -0.424 28.282 28.738 -0.052 0.000 0.903 226 Q HN 0.776 nan 8.270 nan 0.000 0.433 227 H N -1.408 117.648 119.070 -0.023 0.000 2.546 227 H HA 0.040 4.597 4.556 0.002 0.000 0.277 227 H C -0.279 174.774 175.328 -0.457 0.000 1.004 227 H CA 0.847 56.738 56.048 -0.262 0.000 1.231 227 H CB -0.013 29.629 29.762 -0.201 0.000 1.382 227 H HN 0.282 nan 8.280 nan 0.000 0.580 228 D N 0.738 120.896 120.400 -0.404 0.000 2.483 228 D HA -0.010 4.632 4.640 0.004 0.000 0.220 228 D C 0.247 176.655 176.300 0.181 0.000 1.173 228 D CA -0.512 53.411 54.000 -0.128 0.000 0.964 228 D CB -0.117 40.604 40.800 -0.131 0.000 1.046 228 D HN 0.122 nan 8.370 nan 0.000 0.517 229 Y N 1.206 121.571 120.300 0.109 0.000 2.220 229 Y HA -0.037 4.513 4.550 -0.000 0.000 0.291 229 Y C 2.233 178.185 175.900 0.087 0.000 1.129 229 Y CA 0.380 58.533 58.100 0.089 0.000 1.161 229 Y CB -0.383 38.095 38.460 0.030 0.000 0.997 229 Y HN 0.360 nan 8.280 nan 0.000 0.522 230 E N 0.167 120.486 120.200 0.197 0.000 2.085 230 E HA -0.147 4.205 4.350 0.004 0.000 0.194 230 E C 2.540 179.188 176.600 0.080 0.000 0.994 230 E CA 1.212 57.677 56.400 0.108 0.000 0.801 230 E CB -0.641 29.096 29.700 0.062 0.000 0.743 230 E HN 0.502 nan 8.360 nan 0.000 0.453 231 G N 0.401 109.237 108.800 0.060 0.000 2.418 231 G HA2 -0.259 3.704 3.960 0.004 0.000 0.217 231 G HA3 -0.259 3.704 3.960 0.004 0.000 0.217 231 G C 1.545 176.425 174.900 -0.032 0.000 1.158 231 G CA 0.855 45.948 45.100 -0.012 0.000 0.771 231 G HN 0.360 nan 8.290 nan 0.000 0.545 232 H N -0.251 118.833 119.070 0.023 0.000 2.353 232 H HA -0.076 4.481 4.556 0.002 0.000 0.300 232 H C 2.658 177.996 175.328 0.018 0.000 1.090 232 H CA 1.528 57.589 56.048 0.022 0.000 1.327 232 H CB -0.006 29.786 29.762 0.050 0.000 1.383 232 H HN 0.351 nan 8.280 nan 0.000 0.508 233 Q N 1.694 121.578 119.800 0.140 0.000 2.096 233 Q HA -0.152 4.191 4.340 0.004 0.000 0.204 233 Q C 2.229 178.252 176.000 0.039 0.000 0.982 233 Q CA 1.213 57.059 55.803 0.071 0.000 0.850 233 Q CB -0.055 28.717 28.738 0.057 0.000 0.901 233 Q HN 0.482 nan 8.270 nan 0.000 0.422 234 R N -0.314 120.201 120.500 0.025 0.000 2.081 234 R HA -0.072 4.271 4.340 0.004 0.000 0.235 234 R C 2.534 178.829 176.300 -0.008 0.000 1.131 234 R CA 1.440 57.542 56.100 0.003 0.000 0.960 234 R CB -0.355 29.939 30.300 -0.010 0.000 0.856 234 R HN 0.290 nan 8.270 nan 0.000 0.436 235 I N 0.655 121.210 120.570 -0.025 0.000 2.179 235 I HA -0.288 3.884 4.170 0.004 0.000 0.242 235 I C 2.684 178.804 176.117 0.004 0.000 1.088 235 I CA 1.215 62.496 61.300 -0.033 0.000 1.357 235 I CB -0.251 37.700 38.000 -0.081 0.000 1.051 235 I HN 0.104 nan 8.210 nan 0.000 0.409 236 Q N 1.192 121.008 119.800 0.027 0.000 2.135 236 Q HA -0.222 4.121 4.340 0.004 0.000 0.204 236 Q C 2.281 178.298 176.000 0.029 0.000 0.981 236 Q CA 2.433 58.259 55.803 0.039 0.000 0.856 236 Q CB -0.419 28.349 28.738 0.049 0.000 0.902 236 Q HN 0.576 nan 8.270 nan 0.000 0.425 237 S N -0.892 114.820 115.700 0.022 0.000 2.442 237 S HA -0.083 4.390 4.470 0.004 0.000 0.236 237 S C 1.188 175.797 174.600 0.016 0.000 1.007 237 S CA 0.808 59.018 58.200 0.018 0.000 0.965 237 S CB -0.104 63.104 63.200 0.014 0.000 0.773 237 S HN 0.224 nan 8.310 nan 0.000 0.504 238 K N 0.891 121.299 120.400 0.013 0.000 2.410 238 K HA 0.459 4.782 4.320 0.004 0.000 0.200 238 K C -0.219 176.392 176.600 0.019 0.000 1.023 238 K CA 0.004 56.298 56.287 0.012 0.000 1.149 238 K CB -0.044 32.459 32.500 0.005 0.000 0.859 238 K HN 0.452 nan 8.250 nan 0.000 0.514 239 L N 0.458 121.697 121.223 0.027 0.000 2.370 239 L HA 0.348 4.691 4.340 0.004 0.000 0.266 239 L C 0.868 177.761 176.870 0.039 0.000 1.002 239 L CA -0.687 54.175 54.840 0.036 0.000 0.818 239 L CB 1.809 43.896 42.059 0.046 0.000 1.325 239 L HN -0.156 nan 8.230 nan 0.000 0.418 240 N N 0.320 119.045 118.700 0.042 0.000 2.336 240 N HA -0.013 4.729 4.740 0.004 0.000 0.177 240 N C 0.407 175.952 175.510 0.059 0.000 1.018 240 N CA 0.488 53.565 53.050 0.045 0.000 0.878 240 N CB 0.442 38.953 38.487 0.041 0.000 0.997 240 N HN 0.288 nan 8.380 nan 0.000 0.433 241 V N 4.235 124.189 119.914 0.067 0.000 2.843 241 V HA 0.125 4.247 4.120 0.004 0.000 0.305 241 V C -2.091 174.063 176.094 0.101 0.000 1.065 241 V CA -1.390 60.964 62.300 0.089 0.000 1.116 241 V CB 0.965 32.843 31.823 0.090 0.000 0.968 241 V HN 0.114 nan 8.190 nan 0.000 0.487 242 P HA 0.187 nan 4.420 nan 0.000 0.275 242 P C -0.780 176.586 177.300 0.110 0.000 1.227 242 P CA -0.042 63.126 63.100 0.113 0.000 0.781 242 P CB 1.070 32.851 31.700 0.134 0.000 0.906 243 V N 3.602 123.555 119.914 0.065 0.000 2.498 243 V HA 0.205 4.327 4.120 0.004 0.000 0.279 243 V C 0.527 176.584 176.094 -0.062 0.000 1.048 243 V CA 0.081 62.410 62.300 0.048 0.000 0.967 243 V CB 0.825 32.700 31.823 0.087 0.000 0.988 243 V HN 0.568 nan 8.190 nan 0.000 0.473 244 Q N 5.876 125.569 119.800 -0.178 0.000 2.312 244 Q HA 0.842 5.184 4.340 0.004 0.000 0.263 244 Q C -0.752 175.033 176.000 -0.359 0.000 0.995 244 Q CA -0.510 55.031 55.803 -0.435 0.000 0.853 244 Q CB 1.778 29.866 28.738 -1.083 0.000 1.300 244 Q HN 0.834 nan 8.270 nan 0.000 0.448 245 M N 0.896 120.238 119.600 -0.430 0.000 3.084 245 M HA 0.820 5.303 4.480 0.004 0.000 0.273 245 M C -0.354 175.404 176.300 -0.904 0.000 1.242 245 M CA -0.004 54.968 55.300 -0.546 0.000 0.819 245 M CB 1.221 33.501 32.600 -0.534 0.000 1.625 245 M HN 0.772 nan 8.290 nan 0.000 0.493 246 G N 0.172 108.178 108.800 -1.324 0.000 2.551 246 G HA2 -0.205 3.758 3.960 0.004 0.000 0.186 246 G HA3 -0.205 3.758 3.960 0.004 0.000 0.186 246 G C 0.525 174.811 174.900 -1.024 0.000 1.002 246 G CA 0.514 44.331 45.100 -2.139 0.000 0.723 246 G HN 1.089 nan 8.290 nan 0.000 0.481 247 E N 0.528 120.339 120.200 -0.648 0.000 2.265 247 E HA -0.069 4.284 4.350 0.004 0.000 0.196 247 E C 1.410 177.846 176.600 -0.273 0.000 0.996 247 E CA 1.213 57.333 56.400 -0.466 0.000 0.832 247 E CB -0.195 28.973 29.700 -0.888 0.000 0.756 247 E HN 0.408 nan 8.360 nan 0.000 0.491 248 N N -0.115 118.387 118.700 -0.330 0.000 2.236 248 N HA 0.017 4.760 4.740 0.004 0.000 0.196 248 N C -0.725 174.783 175.510 -0.003 0.000 1.114 248 N CA -0.008 52.956 53.050 -0.142 0.000 0.859 248 N CB 0.189 38.595 38.487 -0.135 0.000 0.982 248 N HN 0.196 nan 8.380 nan 0.000 0.493 249 W N 1.586 122.882 121.300 -0.007 0.000 2.308 249 W HA 0.206 4.869 4.660 0.005 0.000 0.324 249 W C 0.310 176.833 176.519 0.007 0.000 1.387 249 W CA -0.497 56.849 57.345 0.003 0.000 1.250 249 W CB -0.171 29.258 29.460 -0.051 0.000 1.257 249 W HN -0.110 nan 8.180 nan 0.000 0.554 250 L N 4.371 125.728 121.223 0.223 0.000 2.270 250 L HA 0.536 4.879 4.340 0.004 0.000 0.286 250 L C 0.881 177.791 176.870 0.068 0.000 1.059 250 L CA 0.098 55.001 54.840 0.105 0.000 0.839 250 L CB 0.050 42.136 42.059 0.046 0.000 1.221 250 L HN 0.647 nan 8.230 nan 0.000 0.431 251 G N 4.057 112.892 108.800 0.058 0.000 2.712 251 G HA2 -0.154 3.809 3.960 0.004 0.000 0.686 251 G HA3 -0.154 3.809 3.960 0.004 0.000 0.686 251 G C -2.465 172.446 174.900 0.018 0.000 1.321 251 G CA -0.947 44.169 45.100 0.028 0.000 0.813 251 G HN 0.428 nan 8.290 nan 0.000 0.599 252 P HA -0.028 nan 4.420 nan 0.000 0.222 252 P C 1.782 179.031 177.300 -0.085 0.000 1.147 252 P CA 1.655 64.715 63.100 -0.067 0.000 0.790 252 P CB 0.140 31.811 31.700 -0.050 0.000 0.780 253 E N 0.644 120.824 120.200 -0.033 0.000 2.152 253 E HA -0.186 4.166 4.350 0.004 0.000 0.192 253 E C 1.505 178.096 176.600 -0.014 0.000 0.983 253 E CA 1.191 57.595 56.400 0.007 0.000 0.818 253 E CB -0.810 28.912 29.700 0.037 0.000 0.758 253 E HN 0.347 nan 8.360 nan 0.000 0.467 254 E N 0.706 120.864 120.200 -0.069 0.000 2.072 254 E HA -0.090 4.262 4.350 0.004 0.000 0.190 254 E C 2.211 178.398 176.600 -0.688 0.000 0.982 254 E CA 1.045 57.370 56.400 -0.126 0.000 0.803 254 E CB -0.214 29.547 29.700 0.101 0.000 0.755 254 E HN 0.264 nan 8.360 nan 0.000 0.453 255 M N 0.525 119.521 119.600 -1.005 0.000 2.108 255 M HA -0.216 4.267 4.480 0.004 0.000 0.261 255 M C 2.106 177.808 176.300 -0.996 0.000 1.066 255 M CA 1.525 55.793 55.300 -1.720 0.000 1.107 255 M CB -0.177 31.715 32.600 -1.180 0.000 1.356 255 M HN 0.098 nan 8.290 nan 0.000 0.406 256 F N 1.265 120.836 119.950 -0.632 0.000 2.095 256 F HA -0.208 4.326 4.527 0.011 0.000 0.298 256 F C 2.006 177.557 175.800 -0.414 0.000 1.104 256 F CA 1.980 59.732 58.000 -0.414 0.000 1.232 256 F CB -0.389 38.497 39.000 -0.189 0.000 0.987 256 F HN 0.124 nan 8.300 nan 0.000 0.475 257 K N -0.055 120.131 120.400 -0.356 0.000 2.057 257 K HA -0.124 4.199 4.320 0.004 0.000 0.207 257 K C 2.314 178.597 176.600 -0.530 0.000 1.049 257 K CA 1.249 57.328 56.287 -0.347 0.000 0.931 257 K CB -0.554 31.927 32.500 -0.031 0.000 0.714 257 K HN 0.343 nan 8.250 nan 0.000 0.440 258 A N 1.442 123.714 122.820 -0.914 0.000 1.873 258 A HA -0.097 4.225 4.320 0.004 0.000 0.215 258 A C 2.118 179.313 177.584 -0.647 0.000 1.186 258 A CA 1.128 52.595 52.037 -0.950 0.000 0.616 258 A CB -0.588 17.756 19.000 -1.094 0.000 0.823 258 A HN 0.135 nan 8.150 nan 0.000 0.442 259 L N -0.388 120.334 121.223 -0.834 0.000 2.093 259 L HA -0.135 4.207 4.340 0.004 0.000 0.208 259 L C 2.764 179.066 176.870 -0.948 0.000 1.085 259 L CA 1.351 55.607 54.840 -0.972 0.000 0.755 259 L CB -0.565 40.603 42.059 -1.486 0.000 0.904 259 L HN 0.317 nan 8.230 nan 0.000 0.435 260 S N 0.794 115.993 115.700 -0.835 0.000 2.383 260 S HA -0.155 4.317 4.470 0.004 0.000 0.229 260 S C 1.702 176.162 174.600 -0.233 0.000 1.030 260 S CA 1.669 59.594 58.200 -0.458 0.000 1.002 260 S CB -0.262 62.610 63.200 -0.547 0.000 0.829 260 S HN 0.557 nan 8.310 nan 0.000 0.467 261 I N -1.596 118.837 120.570 -0.228 0.000 3.883 261 I HA 0.503 4.675 4.170 0.004 0.000 0.326 261 I C 0.954 177.020 176.117 -0.085 0.000 1.283 261 I CA 0.235 61.472 61.300 -0.105 0.000 1.161 261 I CB -0.357 37.617 38.000 -0.044 0.000 1.012 261 I HN 0.150 nan 8.210 nan 0.000 0.421 262 G N 1.455 110.170 108.800 -0.141 0.000 2.256 262 G HA2 -0.220 3.742 3.960 0.004 0.000 0.272 262 G HA3 -0.220 3.742 3.960 0.004 0.000 0.272 262 G C 0.911 175.779 174.900 -0.054 0.000 1.076 262 G CA 0.247 45.293 45.100 -0.090 0.000 0.882 262 G HN 0.854 nan 8.290 nan 0.000 0.497 263 A N -1.393 121.380 122.820 -0.078 0.000 2.121 263 A HA 0.418 4.740 4.320 0.004 0.000 0.218 263 A C 1.670 179.268 177.584 0.024 0.000 1.154 263 A CA 2.020 54.060 52.037 0.006 0.000 0.679 263 A CB -0.402 18.592 19.000 -0.010 0.000 0.795 263 A HN 2.267 nan 8.150 nan 0.000 0.458 264 C N -4.936 114.353 119.300 -0.018 0.000 3.285 264 C HA 0.689 5.152 4.460 0.004 0.000 0.325 264 C C 0.659 175.638 174.990 -0.018 0.000 1.304 264 C CA -0.976 58.036 59.018 -0.010 0.000 1.319 264 C CB 1.221 28.939 27.740 -0.036 0.000 1.640 264 C HN 0.321 nan 8.230 nan 0.000 0.477 265 R N 0.094 120.589 120.500 -0.009 0.000 2.334 265 R HA 0.446 4.788 4.340 0.004 0.000 0.212 265 R C -0.426 175.867 176.300 -0.011 0.000 0.897 265 R CA 0.281 56.381 56.100 0.000 0.000 1.056 265 R CB 0.212 30.526 30.300 0.024 0.000 1.046 265 R HN 0.676 nan 8.270 nan 0.000 0.513 266 L N -0.468 120.727 121.223 -0.048 0.000 2.393 266 L HA 0.644 4.987 4.340 0.004 0.000 0.260 266 L C -1.044 175.760 176.870 -0.111 0.000 1.002 266 L CA -1.096 53.700 54.840 -0.073 0.000 0.818 266 L CB 2.219 44.198 42.059 -0.133 0.000 1.369 266 L HN -0.150 nan 8.230 nan 0.000 0.412 267 A N 3.131 125.911 122.820 -0.067 0.000 2.386 267 A HA 0.898 5.220 4.320 0.004 0.000 0.311 267 A C -0.596 176.930 177.584 -0.096 0.000 1.068 267 A CA -0.536 51.475 52.037 -0.043 0.000 0.743 267 A CB 1.753 20.847 19.000 0.156 0.000 1.258 267 A HN 0.766 nan 8.150 nan 0.000 0.429 268 M N 1.218 120.700 119.600 -0.196 0.000 2.067 268 M HA 0.383 4.865 4.480 0.004 0.000 0.214 268 M C -3.017 173.249 176.300 -0.056 0.000 0.891 268 M CA -1.642 53.622 55.300 -0.060 0.000 0.697 268 M CB 0.885 33.454 32.600 -0.051 0.000 1.616 268 M HN 0.179 nan 8.290 nan 0.000 0.354 269 P HA -0.028 nan 4.420 nan 0.000 0.266 269 P C -0.812 176.662 177.300 0.290 0.000 1.193 269 P CA 0.359 63.498 63.100 0.065 0.000 0.770 269 P CB 0.564 32.201 31.700 -0.105 0.000 0.836 270 D N 1.792 122.382 120.400 0.317 0.000 2.274 270 D HA 0.201 4.843 4.640 0.004 0.000 0.239 270 D C 1.012 177.524 176.300 0.354 0.000 1.104 270 D CA -0.379 53.901 54.000 0.467 0.000 0.840 270 D CB 1.449 42.562 40.800 0.521 0.000 1.100 270 D HN 0.274 nan 8.370 nan 0.000 0.477 271 A N 4.833 127.823 122.820 0.284 0.000 1.948 271 A HA -0.226 4.097 4.320 0.004 0.000 0.220 271 A C 2.095 179.557 177.584 -0.204 0.000 1.177 271 A CA 1.478 53.546 52.037 0.052 0.000 0.636 271 A CB -0.444 18.433 19.000 -0.205 0.000 0.815 271 A HN 0.788 nan 8.150 nan 0.000 0.449 272 M N -0.906 118.391 119.600 -0.505 0.000 2.098 272 M HA -0.113 4.369 4.480 0.004 0.000 0.262 272 M C 1.939 178.221 176.300 -0.030 0.000 1.072 272 M CA 1.970 57.067 55.300 -0.339 0.000 1.133 272 M CB -0.169 32.236 32.600 -0.325 0.000 1.344 272 M HN 0.305 nan 8.290 nan 0.000 0.414 273 K N -0.080 120.383 120.400 0.105 0.000 2.217 273 K HA -0.068 4.255 4.320 0.004 0.000 0.202 273 K C 1.630 178.287 176.600 0.094 0.000 1.051 273 K CA 0.815 57.173 56.287 0.118 0.000 0.952 273 K CB -0.105 32.503 32.500 0.180 0.000 0.736 273 K HN 0.284 nan 8.250 nan 0.000 0.453 274 I N 0.282 120.926 120.570 0.123 0.000 3.176 274 I HA -0.042 4.130 4.170 0.004 0.000 0.275 274 I C 0.791 176.954 176.117 0.076 0.000 1.298 274 I CA 0.816 62.187 61.300 0.117 0.000 1.445 274 I CB 0.020 38.108 38.000 0.146 0.000 1.075 274 I HN 0.387 nan 8.210 nan 0.000 0.482 275 G N -0.582 108.245 108.800 0.045 0.000 2.135 275 G HA2 0.090 4.053 3.960 0.004 0.000 0.183 275 G HA3 0.090 4.053 3.960 0.004 0.000 0.183 275 G C 0.844 175.785 174.900 0.069 0.000 1.004 275 G CA -0.148 44.977 45.100 0.040 0.000 0.677 275 G HN 1.129 nan 8.290 nan 0.000 0.512 276 G N -1.724 107.099 108.800 0.038 0.000 2.542 276 G HA2 -0.036 3.926 3.960 0.004 0.000 0.235 276 G HA3 -0.036 3.926 3.960 0.004 0.000 0.235 276 G C 1.027 175.954 174.900 0.046 0.000 1.286 276 G CA 0.747 45.857 45.100 0.016 0.000 0.904 276 G HN 1.267 nan 8.290 nan 0.000 0.577 277 V N 0.663 120.558 119.914 -0.031 0.000 2.379 277 V HA -0.107 4.015 4.120 0.004 0.000 0.245 277 V C 3.168 179.208 176.094 -0.090 0.000 1.044 277 V CA 3.187 65.349 62.300 -0.229 0.000 1.036 277 V CB -1.158 30.169 31.823 -0.826 0.000 0.664 277 V HN 0.932 nan 8.190 nan 0.000 0.453 278 T N 0.662 115.290 114.554 0.123 0.000 2.684 278 T HA -0.163 4.190 4.350 0.004 0.000 0.267 278 T C 1.922 176.711 174.700 0.148 0.000 1.036 278 T CA 1.765 63.998 62.100 0.222 0.000 1.148 278 T CB -0.727 68.342 68.868 0.334 0.000 0.863 278 T HN 0.616 nan 8.240 nan 0.000 0.436 279 G N 0.090 108.975 108.800 0.142 0.000 2.422 279 G HA2 -0.201 3.761 3.960 0.004 0.000 0.218 279 G HA3 -0.201 3.761 3.960 0.004 0.000 0.218 279 G C 1.422 176.389 174.900 0.111 0.000 1.146 279 G CA 0.381 45.548 45.100 0.111 0.000 0.769 279 G HN 0.512 nan 8.290 nan 0.000 0.547 280 W N 1.157 122.445 121.300 -0.021 0.000 2.358 280 W HA -0.042 4.623 4.660 0.007 0.000 0.303 280 W C 2.237 178.738 176.519 -0.029 0.000 1.208 280 W CA 0.982 58.312 57.345 -0.024 0.000 1.274 280 W CB -0.255 29.167 29.460 -0.063 0.000 1.138 280 W HN 0.220 nan 8.180 nan 0.000 0.515 281 I N 0.420 121.107 120.570 0.195 0.000 2.286 281 I HA -0.329 3.843 4.170 0.004 0.000 0.248 281 I C 2.635 178.770 176.117 0.031 0.000 1.115 281 I CA 1.340 62.705 61.300 0.109 0.000 1.392 281 I CB -0.446 37.586 38.000 0.053 0.000 1.065 281 I HN -0.105 nan 8.210 nan 0.000 0.418 282 R N 0.551 121.061 120.500 0.018 0.000 2.057 282 R HA -0.064 4.279 4.340 0.004 0.000 0.229 282 R C 2.520 178.786 176.300 -0.057 0.000 1.136 282 R CA 1.370 57.464 56.100 -0.011 0.000 0.952 282 R CB -0.551 29.750 30.300 0.001 0.000 0.848 282 R HN 0.314 nan 8.270 nan 0.000 0.430 283 A N 0.652 123.407 122.820 -0.109 0.000 1.927 283 A HA -0.272 4.050 4.320 0.004 0.000 0.220 283 A C 2.187 179.654 177.584 -0.196 0.000 1.185 283 A CA 2.226 54.153 52.037 -0.183 0.000 0.639 283 A CB -0.823 17.996 19.000 -0.302 0.000 0.820 283 A HN 0.389 nan 8.150 nan 0.000 0.451 284 S N -0.486 115.078 115.700 -0.227 0.000 2.382 284 S HA -0.003 4.470 4.470 0.004 0.000 0.228 284 S C 2.144 176.721 174.600 -0.039 0.000 1.027 284 S CA 1.557 59.673 58.200 -0.141 0.000 0.991 284 S CB -0.502 62.662 63.200 -0.060 0.000 0.823 284 S HN 0.897 nan 8.310 nan 0.000 0.469 285 A N 1.602 124.409 122.820 -0.021 0.000 1.902 285 A HA 0.101 4.424 4.320 0.004 0.000 0.217 285 A C 2.246 179.845 177.584 0.025 0.000 1.181 285 A CA 1.415 53.453 52.037 0.001 0.000 0.623 285 A CB -0.779 18.219 19.000 -0.004 0.000 0.818 285 A HN 0.591 nan 8.150 nan 0.000 0.443 286 L N -0.780 120.470 121.223 0.045 0.000 2.017 286 L HA -0.191 4.152 4.340 0.004 0.000 0.208 286 L C 3.099 180.103 176.870 0.223 0.000 1.073 286 L CA 1.188 56.131 54.840 0.172 0.000 0.745 286 L CB -0.731 41.422 42.059 0.157 0.000 0.894 286 L HN 0.418 nan 8.230 nan 0.000 0.432 287 A N -0.437 122.433 122.820 0.084 0.000 1.940 287 A HA -0.283 4.039 4.320 0.004 0.000 0.219 287 A C 2.299 179.934 177.584 0.086 0.000 1.176 287 A CA 1.932 54.012 52.037 0.071 0.000 0.631 287 A CB -0.578 18.418 19.000 -0.007 0.000 0.814 287 A HN 0.533 nan 8.150 nan 0.000 0.446 288 Q N -1.234 118.599 119.800 0.054 0.000 2.079 288 Q HA -0.202 4.140 4.340 0.004 0.000 0.200 288 Q C 2.056 178.069 176.000 0.022 0.000 0.974 288 Q CA 1.435 57.258 55.803 0.033 0.000 0.840 288 Q CB -0.116 28.632 28.738 0.017 0.000 0.898 288 Q HN 0.602 nan 8.270 nan 0.000 0.430 289 Q N -0.545 119.260 119.800 0.009 0.000 2.172 289 Q HA -0.074 4.268 4.340 0.004 0.000 0.200 289 Q C 1.539 177.460 176.000 -0.132 0.000 0.964 289 Q CA 0.993 56.742 55.803 -0.090 0.000 0.855 289 Q CB -0.026 28.613 28.738 -0.165 0.000 0.918 289 Q HN 0.394 nan 8.270 nan 0.000 0.444 290 F N 0.077 120.013 119.950 -0.024 0.000 2.811 290 F HA 0.189 4.713 4.527 -0.005 0.000 0.301 290 F C 1.269 177.048 175.800 -0.034 0.000 1.151 290 F CA 0.639 58.617 58.000 -0.037 0.000 1.412 290 F CB 0.100 39.065 39.000 -0.059 0.000 1.113 290 F HN 0.166 nan 8.300 nan 0.000 0.579 291 G N 1.558 110.428 108.800 0.116 0.000 2.298 291 G HA2 -0.248 3.714 3.960 0.004 0.000 0.287 291 G HA3 -0.248 3.714 3.960 0.004 0.000 0.287 291 G C -0.207 174.725 174.900 0.054 0.000 1.075 291 G CA -0.301 44.834 45.100 0.060 0.000 0.960 291 G HN 0.130 nan 8.290 nan 0.000 0.502 292 I N 0.636 121.241 120.570 0.058 0.000 2.354 292 I HA 0.284 4.457 4.170 0.004 0.000 0.286 292 I C -2.055 174.067 176.117 0.008 0.000 1.007 292 I CA -3.083 58.234 61.300 0.028 0.000 1.167 292 I CB 1.325 39.341 38.000 0.028 0.000 1.320 292 I HN -0.127 nan 8.210 nan 0.000 0.458 293 P HA 0.129 nan 4.420 nan 0.000 0.261 293 P C -0.381 176.961 177.300 0.069 0.000 1.183 293 P CA 0.194 63.259 63.100 -0.057 0.000 0.761 293 P CB 0.511 32.011 31.700 -0.334 0.000 0.785 294 M N 3.164 122.848 119.600 0.139 0.000 2.181 294 M HA 0.353 4.835 4.480 0.004 0.000 0.323 294 M C -0.632 175.841 176.300 0.288 0.000 1.004 294 M CA 0.016 55.407 55.300 0.152 0.000 0.941 294 M CB 0.994 33.626 32.600 0.053 0.000 1.579 294 M HN 0.219 nan 8.290 nan 0.000 0.427 295 S N 1.324 117.205 115.700 0.303 0.000 2.767 295 S HA 0.758 5.230 4.470 0.004 0.000 0.300 295 S C -0.624 174.229 174.600 0.422 0.000 1.123 295 S CA -0.859 57.586 58.200 0.408 0.000 0.992 295 S CB 1.829 65.298 63.200 0.448 0.000 1.138 295 S HN 0.795 nan 8.310 nan 0.000 0.550 296 S N 0.203 116.178 115.700 0.457 0.000 2.704 296 S HA 0.560 5.032 4.470 0.004 0.000 0.305 296 S C -1.081 173.757 174.600 0.396 0.000 1.107 296 S CA -0.757 57.739 58.200 0.493 0.000 0.993 296 S CB 1.214 64.656 63.200 0.403 0.000 1.110 296 S HN 0.816 nan 8.310 nan 0.000 0.534 297 H N 1.263 120.506 119.070 0.289 0.000 2.823 297 H HA 0.506 5.065 4.556 0.005 0.000 0.332 297 H C -0.098 175.365 175.328 0.225 0.000 0.980 297 H CA -0.444 55.733 56.048 0.214 0.000 1.286 297 H CB 0.385 30.262 29.762 0.192 0.000 1.541 297 H HN 0.837 nan 8.280 nan 0.000 0.521 298 L N 2.621 123.655 121.223 -0.315 0.000 5.766 298 L HA -0.383 3.959 4.340 0.004 0.000 0.272 298 L C 0.037 176.863 176.870 -0.072 0.000 1.146 298 L CA 1.143 55.745 54.840 -0.397 0.000 1.320 298 L CB -0.862 40.744 42.059 -0.755 0.000 2.115 298 L HN 0.891 nan 8.230 nan 0.000 0.874 299 F N -0.520 119.368 119.950 -0.103 0.000 3.004 299 F HA -0.252 4.277 4.527 0.004 0.000 0.264 299 F C 1.849 177.631 175.800 -0.030 0.000 0.979 299 F CA 1.344 59.305 58.000 -0.064 0.000 0.896 299 F CB -1.612 37.303 39.000 -0.142 0.000 0.813 299 F HN 0.579 nan 8.300 nan 0.000 0.804 300 Q N -0.496 119.356 119.800 0.087 0.000 2.197 300 Q HA -0.248 4.095 4.340 0.004 0.000 0.207 300 Q C 1.446 177.498 176.000 0.087 0.000 0.984 300 Q CA 2.113 57.973 55.803 0.094 0.000 0.869 300 Q CB -0.212 28.613 28.738 0.144 0.000 0.906 300 Q HN 0.625 nan 8.270 nan 0.000 0.426 301 E N 1.488 121.760 120.200 0.121 0.000 2.015 301 E HA -0.071 4.281 4.350 0.004 0.000 0.191 301 E C 1.901 178.568 176.600 0.112 0.000 0.991 301 E CA 1.278 57.743 56.400 0.108 0.000 0.802 301 E CB -0.222 29.567 29.700 0.149 0.000 0.759 301 E HN 0.386 nan 8.360 nan 0.000 0.447 302 I N 0.216 120.826 120.570 0.067 0.000 2.546 302 I HA -0.187 3.985 4.170 0.004 0.000 0.255 302 I C 1.447 177.491 176.117 -0.123 0.000 1.163 302 I CA 0.694 61.979 61.300 -0.026 0.000 1.457 302 I CB 0.146 38.074 38.000 -0.120 0.000 1.092 302 I HN 0.009 nan 8.210 nan 0.000 0.434 303 S N 0.878 116.500 115.700 -0.130 0.000 2.423 303 S HA -0.074 4.399 4.470 0.004 0.000 0.231 303 S C 2.112 176.607 174.600 -0.175 0.000 1.014 303 S CA 1.054 59.098 58.200 -0.260 0.000 0.965 303 S CB -0.215 62.921 63.200 -0.107 0.000 0.785 303 S HN 0.625 nan 8.310 nan 0.000 0.495 304 A N 1.410 124.174 122.820 -0.092 0.000 1.930 304 A HA -0.139 4.184 4.320 0.004 0.000 0.217 304 A C 1.838 179.322 177.584 -0.167 0.000 1.175 304 A CA 1.154 53.115 52.037 -0.126 0.000 0.627 304 A CB -0.710 18.182 19.000 -0.180 0.000 0.815 304 A HN 0.551 nan 8.150 nan 0.000 0.443 305 H N -0.449 118.518 119.070 -0.172 0.000 2.363 305 H HA 0.015 4.573 4.556 0.004 0.000 0.301 305 H C 2.042 177.232 175.328 -0.230 0.000 1.074 305 H CA 1.627 57.569 56.048 -0.176 0.000 1.354 305 H CB -0.117 29.539 29.762 -0.177 0.000 1.397 305 H HN 0.406 nan 8.280 nan 0.000 0.516 306 L N 0.396 121.461 121.223 -0.264 0.000 2.109 306 L HA -0.138 4.205 4.340 0.004 0.000 0.207 306 L C 2.531 179.283 176.870 -0.197 0.000 1.086 306 L CA 0.578 55.123 54.840 -0.491 0.000 0.760 306 L CB -0.286 40.964 42.059 -1.349 0.000 0.910 306 L HN 0.139 nan 8.230 nan 0.000 0.437 307 L N -0.378 120.785 121.223 -0.100 0.000 2.141 307 L HA -0.116 4.226 4.340 0.004 0.000 0.209 307 L C 2.737 179.651 176.870 0.073 0.000 1.094 307 L CA 0.842 55.755 54.840 0.121 0.000 0.763 307 L CB -0.602 41.537 42.059 0.132 0.000 0.908 307 L HN 0.208 nan 8.230 nan 0.000 0.437 308 A N -0.143 122.676 122.820 -0.001 0.000 2.121 308 A HA 0.005 4.327 4.320 0.004 0.000 0.218 308 A C 2.138 179.731 177.584 0.015 0.000 1.154 308 A CA 1.451 53.483 52.037 -0.008 0.000 0.679 308 A CB -0.416 18.554 19.000 -0.050 0.000 0.795 308 A HN 0.371 nan 8.150 nan 0.000 0.458 309 A N -1.206 121.633 122.820 0.032 0.000 2.387 309 A HA 0.400 4.723 4.320 0.004 0.000 0.234 309 A C 0.624 178.270 177.584 0.102 0.000 1.253 309 A CA 0.231 52.296 52.037 0.046 0.000 0.894 309 A CB -0.090 18.921 19.000 0.017 0.000 0.963 309 A HN 0.180 nan 8.150 nan 0.000 0.508 310 T N 1.822 116.465 114.554 0.147 0.000 2.756 310 T HA 0.362 4.715 4.350 0.004 0.000 0.290 310 T C -1.909 172.858 174.700 0.112 0.000 0.985 310 T CA -0.994 61.219 62.100 0.187 0.000 0.955 310 T CB 1.599 70.664 68.868 0.328 0.000 0.930 310 T HN 0.043 nan 8.240 nan 0.000 0.451 311 P HA -0.098 nan 4.420 nan 0.000 0.216 311 P C 1.256 178.585 177.300 0.047 0.000 1.153 311 P CA 1.111 64.240 63.100 0.049 0.000 0.858 311 P CB 0.001 31.722 31.700 0.034 0.000 0.789 312 T N -3.997 110.591 114.554 0.056 0.000 3.258 312 T HA 0.599 4.951 4.350 0.004 0.000 0.263 312 T C 0.567 175.318 174.700 0.086 0.000 0.983 312 T CA -0.620 61.508 62.100 0.046 0.000 0.907 312 T CB -0.830 68.055 68.868 0.028 0.000 1.096 312 T HN 0.080 nan 8.240 nan 0.000 0.556 313 A N 1.011 123.900 122.820 0.115 0.000 2.565 313 A HA 0.239 4.561 4.320 0.004 0.000 0.237 313 A C 0.776 178.475 177.584 0.191 0.000 1.053 313 A CA 0.256 52.396 52.037 0.172 0.000 0.755 313 A CB -0.078 19.006 19.000 0.141 0.000 0.980 313 A HN 0.822 nan 8.150 nan 0.000 0.506 314 H N 0.702 119.845 119.070 0.121 0.000 3.287 314 H HA 0.296 4.854 4.556 0.004 0.000 0.151 314 H C -0.680 174.666 175.328 0.030 0.000 1.116 314 H CA -0.373 55.723 56.048 0.079 0.000 1.132 314 H CB 0.566 30.463 29.762 0.224 0.000 1.219 314 H HN 0.684 nan 8.280 nan 0.000 0.361 315 W N 1.587 123.011 121.300 0.205 0.000 2.844 315 W HA 0.462 5.123 4.660 0.003 0.000 0.340 315 W C -1.166 175.495 176.519 0.236 0.000 1.093 315 W CA -0.690 56.772 57.345 0.194 0.000 1.212 315 W CB 1.779 31.418 29.460 0.298 0.000 1.422 315 W HN 0.125 nan 8.180 nan 0.000 0.515 316 L N 2.317 123.790 121.223 0.417 0.000 2.307 316 L HA 0.435 4.778 4.340 0.004 0.000 0.282 316 L C 0.087 176.950 176.870 -0.012 0.000 1.051 316 L CA -0.513 54.467 54.840 0.234 0.000 0.804 316 L CB 1.159 43.326 42.059 0.181 0.000 1.197 316 L HN 0.456 nan 8.230 nan 0.000 0.431 317 E N 5.475 125.573 120.200 -0.170 0.000 2.130 317 E HA 0.157 4.509 4.350 0.004 0.000 0.284 317 E C -0.712 175.657 176.600 -0.384 0.000 1.018 317 E CA -0.661 55.349 56.400 -0.650 0.000 0.817 317 E CB 0.804 30.319 29.700 -0.309 0.000 1.078 317 E HN 0.508 nan 8.360 nan 0.000 0.396 318 R N 5.506 125.708 120.500 -0.497 0.000 2.202 318 R HA 0.371 4.714 4.340 0.004 0.000 0.334 318 R C -1.166 174.897 176.300 -0.395 0.000 1.036 318 R CA -0.293 55.586 56.100 -0.368 0.000 0.878 318 R CB 0.325 30.257 30.300 -0.614 0.000 1.067 318 R HN 0.592 nan 8.270 nan 0.000 0.457 319 L N 4.564 125.618 121.223 -0.281 0.000 2.752 319 L HA 0.165 4.508 4.340 0.004 0.000 0.257 319 L C -1.532 175.196 176.870 -0.237 0.000 0.968 319 L CA -0.563 54.115 54.840 -0.270 0.000 0.953 319 L CB 1.714 43.600 42.059 -0.288 0.000 1.286 319 L HN 0.643 nan 8.230 nan 0.000 0.443 320 D N 4.334 124.619 120.400 -0.191 0.000 2.470 320 D HA 0.207 4.850 4.640 0.004 0.000 0.226 320 D C 0.915 177.096 176.300 -0.198 0.000 1.196 320 D CA 0.063 53.975 54.000 -0.147 0.000 0.979 320 D CB 0.782 41.528 40.800 -0.090 0.000 1.059 320 D HN 0.509 nan 8.370 nan 0.000 0.515 321 L N 1.745 122.801 121.223 -0.278 0.000 2.270 321 L HA 0.125 4.467 4.340 0.004 0.000 0.210 321 L C 1.805 178.486 176.870 -0.315 0.000 1.104 321 L CA 0.482 55.119 54.840 -0.338 0.000 0.804 321 L CB 0.095 41.837 42.059 -0.529 0.000 0.937 321 L HN 0.341 nan 8.230 nan 0.000 0.450 322 A N -0.484 122.128 122.820 -0.346 0.000 2.535 322 A HA 0.359 4.681 4.320 0.004 0.000 0.273 322 A C 1.905 179.366 177.584 -0.205 0.000 1.267 322 A CA 0.391 52.195 52.037 -0.388 0.000 0.940 322 A CB -0.348 18.172 19.000 -0.800 0.000 1.101 322 A HN 0.305 nan 8.150 nan 0.000 0.521 323 G N -0.034 108.683 108.800 -0.137 0.000 2.448 323 G HA2 -0.152 3.810 3.960 0.004 0.000 0.219 323 G HA3 -0.152 3.810 3.960 0.004 0.000 0.219 323 G C 1.518 176.396 174.900 -0.036 0.000 1.127 323 G CA 1.406 46.471 45.100 -0.058 0.000 0.766 323 G HN 0.472 nan 8.290 nan 0.000 0.552 324 S N -0.389 115.270 115.700 -0.069 0.000 2.423 324 S HA -0.061 4.412 4.470 0.004 0.000 0.231 324 S C 2.144 176.771 174.600 0.045 0.000 1.014 324 S CA 1.272 59.457 58.200 -0.024 0.000 0.965 324 S CB 0.070 63.196 63.200 -0.124 0.000 0.785 324 S HN 0.559 nan 8.310 nan 0.000 0.495 325 V N -0.452 119.480 119.914 0.029 0.000 3.427 325 V HA 0.535 4.657 4.120 0.004 0.000 0.305 325 V C 0.037 176.249 176.094 0.197 0.000 1.412 325 V CA -0.625 61.737 62.300 0.104 0.000 1.086 325 V CB -0.864 30.991 31.823 0.053 0.000 0.964 325 V HN 0.447 nan 8.190 nan 0.000 0.439 326 I N -3.365 117.285 120.570 0.133 0.000 2.828 326 I HA 0.702 4.875 4.170 0.004 0.000 0.302 326 I C -0.359 175.806 176.117 0.080 0.000 1.101 326 I CA -0.881 60.504 61.300 0.141 0.000 1.031 326 I CB 2.079 40.127 38.000 0.079 0.000 1.231 326 I HN -0.184 nan 8.210 nan 0.000 0.427 327 E N 4.505 124.744 120.200 0.064 0.000 2.398 327 E HA 0.162 4.514 4.350 0.004 0.000 0.263 327 E C -2.124 174.500 176.600 0.041 0.000 1.046 327 E CA -1.426 55.003 56.400 0.049 0.000 0.908 327 E CB 0.418 30.142 29.700 0.040 0.000 0.963 327 E HN 0.466 nan 8.360 nan 0.000 0.431 328 P HA 0.002 nan 4.420 nan 0.000 0.226 328 P C 0.617 177.935 177.300 0.031 0.000 1.783 328 P CA 0.189 63.318 63.100 0.048 0.000 0.980 328 P CB -0.586 31.149 31.700 0.058 0.000 1.967 329 T N -1.672 112.894 114.554 0.019 0.000 3.023 329 T HA -0.000 4.352 4.350 0.004 0.000 0.266 329 T C 0.778 175.462 174.700 -0.027 0.000 1.093 329 T CA 0.025 62.125 62.100 0.000 0.000 1.129 329 T CB -0.284 68.585 68.868 0.002 0.000 0.899 329 T HN 0.100 nan 8.240 nan 0.000 0.491 330 L N 3.795 125.001 121.223 -0.029 0.000 2.281 330 L HA 0.480 4.823 4.340 0.004 0.000 0.285 330 L C 0.158 176.948 176.870 -0.134 0.000 1.074 330 L CA 0.072 54.843 54.840 -0.114 0.000 0.817 330 L CB 0.818 42.818 42.059 -0.098 0.000 1.168 330 L HN 0.393 nan 8.230 nan 0.000 0.434 331 T N 1.272 115.686 114.554 -0.234 0.000 2.932 331 T HA 0.636 4.988 4.350 0.004 0.000 0.289 331 T C -0.456 173.993 174.700 -0.418 0.000 1.039 331 T CA -0.553 61.451 62.100 -0.160 0.000 1.024 331 T CB 1.014 69.840 68.868 -0.071 0.000 1.090 331 T HN 0.228 nan 8.240 nan 0.000 0.496 332 F N 1.010 120.952 119.950 -0.014 0.000 2.444 332 F HA 0.633 5.162 4.527 0.004 0.000 0.342 332 F C 0.262 175.995 175.800 -0.113 0.000 1.121 332 F CA -0.721 57.246 58.000 -0.055 0.000 0.997 332 F CB 1.991 40.976 39.000 -0.025 0.000 1.130 332 F HN 0.637 nan 8.300 nan 0.000 0.454 333 E N 1.657 121.850 120.200 -0.012 0.000 2.244 333 E HA 0.511 4.864 4.350 0.004 0.000 0.260 333 E C 0.301 176.857 176.600 -0.072 0.000 0.884 333 E CA -0.488 55.885 56.400 -0.046 0.000 0.777 333 E CB 1.476 31.145 29.700 -0.052 0.000 1.197 333 E HN 0.769 nan 8.360 nan 0.000 0.416 334 G N 3.308 112.049 108.800 -0.098 0.000 2.305 334 G HA2 -0.099 3.864 3.960 0.004 0.000 0.287 334 G HA3 -0.099 3.864 3.960 0.004 0.000 0.287 334 G C 0.960 175.791 174.900 -0.114 0.000 1.036 334 G CA 0.831 45.874 45.100 -0.094 0.000 0.887 334 G HN 1.731 nan 8.290 nan 0.000 0.505 335 G N -1.876 106.775 108.800 -0.250 0.000 2.143 335 G HA2 -0.261 3.701 3.960 0.004 0.000 0.248 335 G HA3 -0.261 3.701 3.960 0.004 0.000 0.248 335 G C -0.026 174.903 174.900 0.049 0.000 0.991 335 G CA 0.611 45.565 45.100 -0.244 0.000 0.689 335 G HN 1.291 nan 8.290 nan 0.000 0.522 336 N N -0.179 118.547 118.700 0.043 0.000 2.238 336 N HA 0.683 5.425 4.740 0.004 0.000 0.302 336 N C 0.060 175.560 175.510 -0.017 0.000 1.072 336 N CA -0.240 52.846 53.050 0.060 0.000 0.792 336 N CB 1.701 40.173 38.487 -0.025 0.000 1.425 336 N HN 0.522 nan 8.380 nan 0.000 0.478 337 A N 1.280 124.033 122.820 -0.111 0.000 2.401 337 A HA 0.443 4.765 4.320 0.004 0.000 0.259 337 A C -0.332 177.057 177.584 -0.325 0.000 1.103 337 A CA -0.238 51.497 52.037 -0.503 0.000 0.789 337 A CB 0.252 19.015 19.000 -0.395 0.000 1.035 337 A HN 0.443 nan 8.150 nan 0.000 0.491 338 V N 4.590 124.286 119.914 -0.364 0.000 2.378 338 V HA 0.237 4.359 4.120 0.004 0.000 0.288 338 V C 0.095 176.037 176.094 -0.253 0.000 1.016 338 V CA -0.290 61.866 62.300 -0.241 0.000 0.840 338 V CB 1.159 32.873 31.823 -0.182 0.000 0.994 338 V HN 0.774 nan 8.190 nan 0.000 0.431 339 I N 8.356 128.775 120.570 -0.253 0.000 2.683 339 I HA 0.142 4.315 4.170 0.004 0.000 0.286 339 I C -1.444 174.555 176.117 -0.196 0.000 1.175 339 I CA -0.954 60.160 61.300 -0.310 0.000 1.429 339 I CB 0.868 38.606 38.000 -0.436 0.000 1.371 339 I HN 0.487 nan 8.210 nan 0.000 0.569 340 P HA -0.007 nan 4.420 nan 0.000 0.271 340 P C -0.751 176.530 177.300 -0.032 0.000 1.218 340 P CA -0.239 62.825 63.100 -0.061 0.000 0.780 340 P CB 0.713 32.398 31.700 -0.025 0.000 0.901 341 D N 2.503 122.890 120.400 -0.022 0.000 2.741 341 D HA 0.270 4.913 4.640 0.004 0.000 0.233 341 D C -0.625 175.681 176.300 0.010 0.000 1.160 341 D CA 0.010 54.006 54.000 -0.006 0.000 1.003 341 D CB -1.030 39.762 40.800 -0.014 0.000 1.064 341 D HN 0.230 nan 8.370 nan 0.000 0.503 342 L N 1.778 123.018 121.223 0.027 0.000 2.370 342 L HA 0.517 4.860 4.340 0.004 0.000 0.266 342 L C -2.125 174.762 176.870 0.027 0.000 1.002 342 L CA -2.500 52.352 54.840 0.020 0.000 0.818 342 L CB 2.281 44.349 42.059 0.014 0.000 1.325 342 L HN 0.012 nan 8.230 nan 0.000 0.418 343 P HA 0.036 nan 4.420 nan 0.000 0.264 343 P C 0.528 177.810 177.300 -0.030 0.000 1.179 343 P CA 1.018 64.117 63.100 -0.003 0.000 0.763 343 P CB 0.499 32.189 31.700 -0.016 0.000 0.806 344 G N 1.513 110.288 108.800 -0.042 0.000 2.556 344 G HA2 -0.309 3.653 3.960 0.004 0.000 0.283 344 G HA3 -0.309 3.653 3.960 0.004 0.000 0.283 344 G C 0.834 175.600 174.900 -0.223 0.000 1.177 344 G CA 0.195 45.232 45.100 -0.104 0.000 0.978 344 G HN 0.394 nan 8.290 nan 0.000 0.554 345 V N 1.323 121.107 119.914 -0.217 0.000 3.431 345 V HA 0.490 4.612 4.120 0.004 0.000 0.253 345 V C 2.185 178.270 176.094 -0.015 0.000 1.184 345 V CA 1.784 63.917 62.300 -0.277 0.000 1.104 345 V CB 0.180 31.886 31.823 -0.195 0.000 0.799 345 V HN 2.744 nan 8.190 nan 0.000 0.462 346 G N 1.118 109.903 108.800 -0.026 0.000 2.132 346 G HA2 -0.215 3.747 3.960 0.004 0.000 0.228 346 G HA3 -0.215 3.747 3.960 0.004 0.000 0.228 346 G C -0.015 174.873 174.900 -0.020 0.000 1.000 346 G CA -0.009 45.093 45.100 0.004 0.000 0.693 346 G HN 0.451 nan 8.290 nan 0.000 0.515 347 I N 0.836 121.368 120.570 -0.064 0.000 2.371 347 I HA 0.488 4.660 4.170 0.004 0.000 0.290 347 I C 0.511 176.516 176.117 -0.186 0.000 1.028 347 I CA -0.379 60.845 61.300 -0.128 0.000 1.345 347 I CB 0.989 38.885 38.000 -0.174 0.000 1.407 347 I HN 0.014 nan 8.210 nan 0.000 0.501 348 I N 5.717 126.186 120.570 -0.169 0.000 2.468 348 I HA 0.224 4.396 4.170 0.004 0.000 0.285 348 I C -0.712 175.381 176.117 -0.040 0.000 1.039 348 I CA -0.513 60.721 61.300 -0.110 0.000 1.074 348 I CB 1.225 39.222 38.000 -0.005 0.000 1.228 348 I HN 0.523 nan 8.210 nan 0.000 0.436 349 W N 5.386 126.686 121.300 -0.001 0.000 2.223 349 W HA 0.203 4.865 4.660 0.004 0.000 0.334 349 W C 0.623 177.136 176.519 -0.009 0.000 1.334 349 W CA -0.692 56.629 57.345 -0.041 0.000 1.246 349 W CB 0.367 29.760 29.460 -0.112 0.000 1.184 349 W HN 0.263 nan 8.180 nan 0.000 0.563 350 R N 2.909 123.571 120.500 0.270 0.000 2.825 350 R HA 0.015 4.357 4.340 0.004 0.000 0.261 350 R C 1.154 177.521 176.300 0.111 0.000 1.341 350 R CA -0.350 55.840 56.100 0.150 0.000 1.353 350 R CB 0.420 30.791 30.300 0.117 0.000 1.191 350 R HN 0.493 nan 8.270 nan 0.000 0.590 351 E N 2.423 122.683 120.200 0.100 0.000 2.147 351 E HA -0.255 4.097 4.350 0.004 0.000 0.199 351 E C 1.350 177.949 176.600 -0.003 0.000 1.005 351 E CA 1.453 57.873 56.400 0.034 0.000 0.810 351 E CB 0.232 29.957 29.700 0.041 0.000 0.736 351 E HN 0.513 nan 8.360 nan 0.000 0.460 352 K N 0.422 120.825 120.400 0.004 0.000 2.365 352 K HA -0.003 4.320 4.320 0.004 0.000 0.197 352 K C 1.418 177.990 176.600 -0.047 0.000 1.042 352 K CA 0.531 56.803 56.287 -0.024 0.000 0.987 352 K CB 0.211 32.701 32.500 -0.017 0.000 0.779 352 K HN -0.064 nan 8.250 nan 0.000 0.484 353 E N 1.786 121.980 120.200 -0.009 0.000 2.072 353 E HA -0.010 4.343 4.350 0.004 0.000 0.190 353 E C 2.191 178.784 176.600 -0.012 0.000 0.982 353 E CA 0.631 57.033 56.400 0.003 0.000 0.803 353 E CB -0.338 29.441 29.700 0.132 0.000 0.755 353 E HN 0.335 nan 8.360 nan 0.000 0.453 354 I N 1.058 121.636 120.570 0.013 0.000 2.151 354 I HA -0.250 3.922 4.170 0.004 0.000 0.243 354 I C 2.410 178.486 176.117 -0.068 0.000 1.080 354 I CA 1.545 62.837 61.300 -0.014 0.000 1.339 354 I CB -0.603 37.323 38.000 -0.123 0.000 1.039 354 I HN 0.142 nan 8.210 nan 0.000 0.409 355 G N 0.675 109.412 108.800 -0.105 0.000 2.462 355 G HA2 -0.232 3.730 3.960 0.004 0.000 0.220 355 G HA3 -0.232 3.730 3.960 0.004 0.000 0.220 355 G C 1.691 176.483 174.900 -0.180 0.000 1.121 355 G CA 0.559 45.589 45.100 -0.117 0.000 0.758 355 G HN 0.383 nan 8.290 nan 0.000 0.559 356 K N -0.871 119.332 120.400 -0.328 0.000 2.217 356 K HA 0.014 4.337 4.320 0.004 0.000 0.202 356 K C 1.395 177.643 176.600 -0.586 0.000 1.051 356 K CA 0.747 56.708 56.287 -0.544 0.000 0.952 356 K CB -0.022 31.910 32.500 -0.946 0.000 0.736 356 K HN 0.446 nan 8.250 nan 0.000 0.453 357 Y N 0.227 120.499 120.300 -0.046 0.000 2.467 357 Y HA 0.177 4.729 4.550 0.004 0.000 0.250 357 Y C 0.289 176.160 175.900 -0.047 0.000 1.155 357 Y CA -1.134 56.939 58.100 -0.045 0.000 1.249 357 Y CB 0.064 38.494 38.460 -0.051 0.000 1.146 357 Y HN -0.086 nan 8.280 nan 0.000 0.524 358 L N 0.608 121.854 121.223 0.037 0.000 2.525 358 L HA 0.071 4.413 4.340 0.004 0.000 0.278 358 L C 0.216 177.094 176.870 0.013 0.000 1.218 358 L CA 0.285 55.129 54.840 0.006 0.000 0.878 358 L CB 0.156 42.195 42.059 -0.033 0.000 1.127 358 L HN -0.115 nan 8.230 nan 0.000 0.492 359 V N 0.000 119.921 119.914 0.011 0.000 2.409 359 V HA 0.000 4.122 4.120 0.004 0.000 0.244 359 V CA 0.000 62.307 62.300 0.011 0.000 1.235 359 V CB 0.000 31.833 31.823 0.017 0.000 1.184 359 V HN 0.000 nan 8.190 nan 0.000 0.556