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 3mjv_1_A DATA FIRST_RESID -2 DATA SEQUENCE SHMDALRYHI EWNRVAEPGT ARPAGRLLAV ISPDHAGAPW VTAVLDALGP DATA SEQUENCE DTVRFEAKGT DRAAWAAQLA QLREDEGEFH AVVSLLAAAE ALHTDHGSVP DATA SEQUENCE LGLAQTLLLA QALGDAGLTA PLWCLTRGGV AAGRGDVLSS PVQGALWGLG DATA SEQUENCE RVIGLEHPDR WGGLIDLPET VDTRAAARLT GLLADAGGED QLAIRGSGVL DATA SEQUENCE ARRLAHAAPA VPGSGKRPPV HGSVLVTGGT GGIGGRVARR LAEQGAAHLV DATA SEQUENCE LTSRRGADAP GAAELRAELE QLGVRVTIAA CDAADREALA ALLAELPEDA DATA SEQUENCE PLTAVFHSAG VAHDDAPVAD LTLGQLDALM RAKLTAARHL HELTADLDLD DATA SEQUENCE AFVLFSSGAA VFGSGGQPGY AAANAYLDAL AEHRRSLGLT ASSVAWGTWG DATA SEQUENCE EVGMATDPEV HDRLVRQGVL AMEPEHALGA LDQMLENDDT AAAITLMDWE DATA SEQUENCE MFAPAFTANR PSALLSTVPE AVSALS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.658 174.600 0.097 0.000 1.055 -2 S CA 0.000 58.244 58.200 0.073 0.000 1.107 -2 S CB 0.000 63.206 63.200 0.011 0.000 0.593 -1 H N 1.494 120.512 119.070 -0.087 0.000 2.389 -1 H HA 0.000 4.555 4.556 -0.002 0.000 0.299 -1 H C 1.722 177.001 175.328 -0.082 0.000 1.081 -1 H CA 1.978 57.982 56.048 -0.074 0.000 1.345 -1 H CB -0.064 29.643 29.762 -0.091 0.000 1.393 -1 H HN 0.513 nan 8.280 nan 0.000 0.520 0 M N 0.480 120.080 119.600 -0.000 0.000 2.132 0 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 0 M C 1.685 177.982 176.300 -0.006 0.000 1.065 0 M CA 1.107 56.394 55.300 -0.022 0.000 1.122 0 M CB -0.024 32.542 32.600 -0.057 0.000 1.365 0 M HN 0.108 nan 8.290 nan 0.000 0.411 1 D N 0.916 121.303 120.400 -0.021 0.000 2.158 1 D HA -0.139 4.500 4.640 -0.001 0.000 0.197 1 D C 1.856 178.113 176.300 -0.071 0.000 0.995 1 D CA 1.686 55.660 54.000 -0.045 0.000 0.846 1 D CB -0.117 40.650 40.800 -0.056 0.000 0.941 1 D HN 0.379 nan 8.370 nan 0.000 0.456 2 A N 0.030 122.813 122.820 -0.061 0.000 2.167 2 A HA 0.037 4.356 4.320 -0.001 0.000 0.214 2 A C 2.187 179.751 177.584 -0.033 0.000 1.151 2 A CA 0.232 52.217 52.037 -0.087 0.000 0.735 2 A CB -0.341 18.611 19.000 -0.081 0.000 0.802 2 A HN 0.196 nan 8.150 nan 0.000 0.467 3 L N -0.841 120.395 121.223 0.021 0.000 2.492 3 L HA 0.075 4.414 4.340 -0.001 0.000 0.223 3 L C 0.738 177.689 176.870 0.134 0.000 1.132 3 L CA 0.196 55.115 54.840 0.130 0.000 0.850 3 L CB -0.106 42.029 42.059 0.126 0.000 0.966 3 L HN 0.238 nan 8.230 nan 0.000 0.454 4 R N -0.445 120.031 120.500 -0.038 0.000 2.346 4 R HA 0.498 4.837 4.340 -0.001 0.000 0.311 4 R C -1.498 174.721 176.300 -0.135 0.000 0.983 4 R CA -0.403 55.701 56.100 0.008 0.000 0.880 4 R CB 1.262 31.553 30.300 -0.015 0.000 1.100 4 R HN -0.147 nan 8.270 nan 0.000 0.453 5 Y N 0.337 120.703 120.300 0.110 0.000 2.576 5 Y HA 0.346 4.893 4.550 -0.004 0.000 0.346 5 Y C 0.047 176.033 175.900 0.143 0.000 1.018 5 Y CA -0.984 57.185 58.100 0.114 0.000 1.050 5 Y CB 1.990 40.492 38.460 0.070 0.000 1.280 5 Y HN 0.686 nan 8.280 nan 0.000 0.474 6 H N -0.618 118.508 119.070 0.095 0.000 2.961 6 H HA 0.666 5.216 4.556 -0.009 0.000 0.371 6 H C -1.611 173.691 175.328 -0.043 0.000 1.190 6 H CA -1.141 54.917 56.048 0.018 0.000 1.138 6 H CB 1.270 31.036 29.762 0.007 0.000 1.816 6 H HN 0.432 nan 8.280 nan 0.000 0.551 7 I N 2.601 123.044 120.570 -0.213 0.000 2.441 7 I HA 0.158 4.327 4.170 -0.001 0.000 0.287 7 I C 0.159 176.041 176.117 -0.392 0.000 1.049 7 I CA 0.178 61.276 61.300 -0.336 0.000 1.381 7 I CB 0.823 38.692 38.000 -0.219 0.000 1.409 7 I HN 0.794 nan 8.210 nan 0.000 0.523 8 E N 4.703 124.621 120.200 -0.470 0.000 2.378 8 E HA 0.475 4.825 4.350 -0.001 0.000 0.265 8 E C -1.735 174.626 176.600 -0.398 0.000 0.932 8 E CA -0.651 55.579 56.400 -0.284 0.000 0.795 8 E CB 2.111 31.651 29.700 -0.267 0.000 1.296 8 E HN 0.371 nan 8.360 nan 0.000 0.438 9 W N 0.996 122.248 121.300 -0.080 0.000 2.554 9 W HA 0.389 5.038 4.660 -0.018 0.000 0.324 9 W C -0.328 176.172 176.519 -0.031 0.000 1.018 9 W CA -0.283 57.033 57.345 -0.049 0.000 1.243 9 W CB 1.152 30.582 29.460 -0.050 0.000 1.345 9 W HN 0.308 nan 8.180 nan 0.000 0.441 10 N N 1.824 120.605 118.700 0.134 0.000 2.384 10 N HA 0.466 5.205 4.740 -0.001 0.000 0.301 10 N C -0.516 175.059 175.510 0.108 0.000 1.133 10 N CA -1.244 51.858 53.050 0.087 0.000 0.853 10 N CB 1.749 40.248 38.487 0.019 0.000 1.241 10 N HN 0.350 nan 8.380 nan 0.000 0.502 11 R N 1.180 121.729 120.500 0.081 0.000 2.570 11 R HA 0.144 4.483 4.340 -0.001 0.000 0.277 11 R C -0.290 176.048 176.300 0.064 0.000 1.039 11 R CA -0.167 55.976 56.100 0.072 0.000 1.065 11 R CB 0.182 30.512 30.300 0.051 0.000 0.964 11 R HN 0.374 nan 8.270 nan 0.000 0.428 12 V N 0.948 120.903 119.914 0.069 0.000 3.182 12 V HA 0.819 4.938 4.120 -0.001 0.000 0.311 12 V C 0.010 176.132 176.094 0.047 0.000 1.221 12 V CA -0.905 61.431 62.300 0.060 0.000 1.060 12 V CB 1.127 32.995 31.823 0.075 0.000 1.164 12 V HN 0.984 nan 8.190 nan 0.000 0.466 13 A N 0.319 123.164 122.820 0.042 0.000 2.498 13 A HA 0.370 4.690 4.320 -0.001 0.000 0.239 13 A C 0.405 178.006 177.584 0.028 0.000 1.068 13 A CA -0.074 51.982 52.037 0.032 0.000 0.766 13 A CB -0.396 18.622 19.000 0.029 0.000 1.003 13 A HN 0.817 nan 8.150 nan 0.000 0.497 14 E N 2.511 122.723 120.200 0.020 0.000 2.465 14 E HA 0.140 4.489 4.350 -0.001 0.000 0.260 14 E C -1.695 174.911 176.600 0.009 0.000 0.980 14 E CA -0.930 55.477 56.400 0.013 0.000 0.927 14 E CB 0.072 29.777 29.700 0.008 0.000 0.934 14 E HN 0.528 nan 8.360 nan 0.000 0.459 15 P HA 0.141 nan 4.420 nan 0.000 0.274 15 P C 0.299 177.595 177.300 -0.008 0.000 1.256 15 P CA -0.486 62.612 63.100 -0.004 0.000 0.795 15 P CB 0.532 32.219 31.700 -0.021 0.000 1.038 16 G N -0.525 108.270 108.800 -0.009 0.000 2.716 16 G HA2 0.239 4.198 3.960 -0.001 0.000 0.251 16 G HA3 0.239 4.198 3.960 -0.001 0.000 0.251 16 G C 0.961 175.849 174.900 -0.020 0.000 1.224 16 G CA 0.242 45.335 45.100 -0.011 0.000 0.891 16 G HN 0.612 nan 8.290 nan 0.000 0.561 17 T N -3.003 111.539 114.554 -0.019 0.000 3.060 17 T HA 0.503 4.853 4.350 -0.001 0.000 0.249 17 T C 0.887 175.570 174.700 -0.029 0.000 1.079 17 T CA 0.558 62.645 62.100 -0.022 0.000 1.013 17 T CB 0.246 69.104 68.868 -0.016 0.000 0.975 17 T HN 0.817 nan 8.240 nan 0.000 0.518 18 A N 2.449 125.249 122.820 -0.033 0.000 2.301 18 A HA 0.684 5.003 4.320 -0.001 0.000 0.312 18 A C 0.555 178.101 177.584 -0.063 0.000 1.182 18 A CA -1.189 50.823 52.037 -0.042 0.000 0.826 18 A CB 0.566 19.544 19.000 -0.035 0.000 1.134 18 A HN 0.695 nan 8.150 nan 0.000 0.501 19 R N 1.970 122.426 120.500 -0.073 0.000 2.652 19 R HA 0.515 4.854 4.340 -0.001 0.000 0.271 19 R C -2.600 173.607 176.300 -0.154 0.000 1.129 19 R CA -1.296 54.741 56.100 -0.104 0.000 1.200 19 R CB -0.672 29.576 30.300 -0.087 0.000 1.146 19 R HN 0.350 nan 8.270 nan 0.000 0.581 20 P HA -0.002 nan 4.420 nan 0.000 0.265 20 P C -0.261 176.870 177.300 -0.281 0.000 1.193 20 P CA 0.242 63.066 63.100 -0.461 0.000 0.765 20 P CB 1.046 32.266 31.700 -0.801 0.000 0.823 21 A N 3.945 126.640 122.820 -0.208 0.000 1.873 21 A HA 0.087 4.406 4.320 -0.001 0.000 0.215 21 A C 1.414 178.971 177.584 -0.044 0.000 1.186 21 A CA 1.648 53.635 52.037 -0.083 0.000 0.616 21 A CB -1.290 17.694 19.000 -0.027 0.000 0.823 21 A HN 0.621 nan 8.150 nan 0.000 0.442 22 G N -1.091 107.706 108.800 -0.005 0.000 2.588 22 G HA2 0.414 4.373 3.960 -0.001 0.000 0.278 22 G HA3 0.414 4.373 3.960 -0.001 0.000 0.278 22 G C -0.001 174.948 174.900 0.083 0.000 1.307 22 G CA -0.585 44.559 45.100 0.074 0.000 1.016 22 G HN 0.543 nan 8.290 nan 0.000 0.503 23 R N -0.684 119.892 120.500 0.126 0.000 2.308 23 R HA 0.413 4.753 4.340 -0.001 0.000 0.305 23 R C -0.067 176.434 176.300 0.334 0.000 1.053 23 R CA -0.452 55.755 56.100 0.178 0.000 0.957 23 R CB 0.368 30.754 30.300 0.143 0.000 1.022 23 R HN 0.349 nan 8.270 nan 0.000 0.461 24 L N 4.435 125.796 121.223 0.229 0.000 2.399 24 L HA 0.358 4.697 4.340 -0.001 0.000 0.266 24 L C -0.409 176.519 176.870 0.096 0.000 1.114 24 L CA -0.886 54.064 54.840 0.184 0.000 0.804 24 L CB 1.117 43.221 42.059 0.076 0.000 1.146 24 L HN 0.505 nan 8.230 nan 0.000 0.451 25 L N 2.726 123.856 121.223 -0.155 0.000 2.298 25 L HA 0.655 4.994 4.340 -0.001 0.000 0.284 25 L C -0.194 176.566 176.870 -0.184 0.000 1.013 25 L CA -0.074 54.520 54.840 -0.411 0.000 0.824 25 L CB 1.149 42.571 42.059 -1.061 0.000 1.221 25 L HN 0.613 nan 8.230 nan 0.000 0.418 26 A N 5.124 127.885 122.820 -0.099 0.000 2.290 26 A HA 0.739 5.058 4.320 -0.001 0.000 0.310 26 A C -0.907 176.660 177.584 -0.027 0.000 1.202 26 A CA -0.522 51.486 52.037 -0.047 0.000 0.837 26 A CB 1.036 20.013 19.000 -0.038 0.000 1.139 26 A HN 0.528 nan 8.150 nan 0.000 0.509 27 V N 4.145 124.052 119.914 -0.013 0.000 2.417 27 V HA 0.434 4.554 4.120 -0.001 0.000 0.291 27 V C -0.294 175.750 176.094 -0.084 0.000 1.024 27 V CA -0.100 62.197 62.300 -0.005 0.000 0.861 27 V CB 1.049 32.907 31.823 0.058 0.000 0.985 27 V HN 0.741 nan 8.190 nan 0.000 0.436 28 I N 2.880 123.345 120.570 -0.174 0.000 2.569 28 I HA 0.397 4.566 4.170 -0.001 0.000 0.296 28 I C 0.205 176.198 176.117 -0.207 0.000 1.028 28 I CA -0.402 60.795 61.300 -0.173 0.000 1.082 28 I CB 2.228 40.125 38.000 -0.171 0.000 1.264 28 I HN 0.530 nan 8.210 nan 0.000 0.429 29 S N 6.659 122.288 115.700 -0.118 0.000 2.416 29 S HA 0.318 4.787 4.470 -0.001 0.000 0.287 29 S C -1.384 173.181 174.600 -0.058 0.000 1.139 29 S CA -1.514 56.650 58.200 -0.059 0.000 1.058 29 S CB 0.698 63.936 63.200 0.064 0.000 0.967 29 S HN 0.422 nan 8.310 nan 0.000 0.495 30 P HA 0.006 nan 4.420 nan 0.000 0.223 30 P C 0.251 177.475 177.300 -0.126 0.000 1.151 30 P CA 0.747 63.773 63.100 -0.124 0.000 0.787 30 P CB 0.168 31.784 31.700 -0.141 0.000 0.788 31 D N -1.314 119.002 120.400 -0.139 0.000 2.340 31 D HA -0.020 4.619 4.640 -0.001 0.000 0.220 31 D C 0.410 176.360 176.300 -0.583 0.000 1.039 31 D CA 0.720 54.520 54.000 -0.334 0.000 0.866 31 D CB -0.136 40.440 40.800 -0.372 0.000 0.913 31 D HN 0.391 nan 8.370 nan 0.000 0.523 32 H N -0.576 118.457 119.070 -0.062 0.000 2.712 32 H HA 0.458 5.013 4.556 -0.001 0.000 0.226 32 H C 0.034 175.297 175.328 -0.109 0.000 1.422 32 H CA -0.196 55.818 56.048 -0.057 0.000 1.270 32 H CB 0.841 30.591 29.762 -0.020 0.000 1.891 32 H HN -0.014 nan 8.280 nan 0.000 0.518 33 A N 0.039 122.810 122.820 -0.081 0.000 2.508 33 A HA 0.334 4.654 4.320 -0.001 0.000 0.257 33 A C 1.969 179.463 177.584 -0.150 0.000 1.226 33 A CA 0.442 52.397 52.037 -0.137 0.000 0.947 33 A CB 0.278 19.199 19.000 -0.132 0.000 1.079 33 A HN 0.452 nan 8.150 nan 0.000 0.531 34 G N -0.416 108.315 108.800 -0.115 0.000 2.986 34 G HA2 0.411 4.370 3.960 -0.001 0.000 0.213 34 G HA3 0.411 4.370 3.960 -0.001 0.000 0.213 34 G C 0.749 175.594 174.900 -0.091 0.000 1.156 34 G CA 0.668 45.711 45.100 -0.095 0.000 0.763 34 G HN 0.707 nan 8.290 nan 0.000 0.547 35 A N 1.025 123.769 122.820 -0.126 0.000 2.483 35 A HA 0.500 4.820 4.320 -0.001 0.000 0.238 35 A C -0.620 176.899 177.584 -0.108 0.000 1.070 35 A CA -0.735 51.254 52.037 -0.079 0.000 0.770 35 A CB 0.740 19.689 19.000 -0.085 0.000 1.008 35 A HN 0.074 nan 8.150 nan 0.000 0.497 36 P HA -0.191 nan 4.420 nan 0.000 0.216 36 P C 1.576 178.924 177.300 0.080 0.000 1.153 36 P CA 2.008 65.135 63.100 0.046 0.000 0.858 36 P CB -0.183 31.576 31.700 0.097 0.000 0.789 37 W N -0.783 120.523 121.300 0.010 0.000 2.425 37 W HA -0.060 4.603 4.660 0.005 0.000 0.277 37 W C 1.196 177.720 176.519 0.009 0.000 1.231 37 W CA 0.475 57.825 57.345 0.009 0.000 1.248 37 W CB -1.672 27.798 29.460 0.016 0.000 1.117 37 W HN -0.224 nan 8.180 nan 0.000 0.568 38 V N 2.854 122.292 119.914 -0.792 0.000 2.307 38 V HA -0.333 3.786 4.120 -0.001 0.000 0.245 38 V C 2.978 178.889 176.094 -0.305 0.000 1.045 38 V CA 3.491 65.327 62.300 -0.773 0.000 1.024 38 V CB -1.446 29.893 31.823 -0.807 0.000 0.651 38 V HN 0.387 nan 8.190 nan 0.000 0.449 39 T N -1.040 113.393 114.554 -0.202 0.000 2.867 39 T HA -0.106 4.243 4.350 -0.001 0.000 0.268 39 T C 1.885 176.551 174.700 -0.057 0.000 1.057 39 T CA 1.421 63.454 62.100 -0.111 0.000 1.136 39 T CB -0.424 68.396 68.868 -0.080 0.000 0.874 39 T HN 0.450 nan 8.240 nan 0.000 0.466 40 A N 0.982 123.790 122.820 -0.018 0.000 1.930 40 A HA 0.134 4.453 4.320 -0.001 0.000 0.217 40 A C 2.605 180.204 177.584 0.025 0.000 1.175 40 A CA 1.340 53.391 52.037 0.022 0.000 0.627 40 A CB -0.976 18.068 19.000 0.073 0.000 0.815 40 A HN 0.410 nan 8.150 nan 0.000 0.443 41 V N 0.059 119.994 119.914 0.034 0.000 2.307 41 V HA -0.232 3.888 4.120 -0.001 0.000 0.245 41 V C 2.556 178.643 176.094 -0.011 0.000 1.045 41 V CA 1.883 64.206 62.300 0.037 0.000 1.024 41 V CB -0.709 31.169 31.823 0.091 0.000 0.651 41 V HN 0.574 nan 8.190 nan 0.000 0.449 42 L N 0.061 121.255 121.223 -0.047 0.000 2.079 42 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 42 L C 2.382 179.232 176.870 -0.033 0.000 1.081 42 L CA 1.968 56.778 54.840 -0.050 0.000 0.752 42 L CB -0.627 41.389 42.059 -0.073 0.000 0.896 42 L HN 0.406 nan 8.230 nan 0.000 0.433 43 D N -0.049 120.334 120.400 -0.029 0.000 2.144 43 D HA -0.163 4.476 4.640 -0.001 0.000 0.199 43 D C 2.106 178.396 176.300 -0.016 0.000 0.984 43 D CA 1.335 55.323 54.000 -0.020 0.000 0.834 43 D CB 0.177 40.967 40.800 -0.016 0.000 0.955 43 D HN 0.257 nan 8.370 nan 0.000 0.465 44 A N -0.103 122.710 122.820 -0.013 0.000 2.014 44 A HA 0.022 4.341 4.320 -0.001 0.000 0.218 44 A C 2.305 179.874 177.584 -0.024 0.000 1.163 44 A CA 0.554 52.582 52.037 -0.015 0.000 0.652 44 A CB -0.542 18.453 19.000 -0.009 0.000 0.808 44 A HN 0.350 nan 8.150 nan 0.000 0.449 45 L N -0.961 120.248 121.223 -0.023 0.000 2.376 45 L HA 0.178 4.518 4.340 -0.001 0.000 0.219 45 L C 1.338 178.196 176.870 -0.021 0.000 1.133 45 L CA 0.420 55.244 54.840 -0.026 0.000 0.816 45 L CB -1.164 40.881 42.059 -0.022 0.000 0.933 45 L HN 0.596 nan 8.230 nan 0.000 0.449 46 G N 0.392 109.181 108.800 -0.018 0.000 2.758 46 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.686 46 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.686 46 G C -2.166 172.729 174.900 -0.008 0.000 1.389 46 G CA -0.319 44.772 45.100 -0.014 0.000 0.845 46 G HN 0.048 nan 8.290 nan 0.000 0.572 47 P HA 0.113 nan 4.420 nan 0.000 0.240 47 P C 0.667 177.971 177.300 0.007 0.000 1.190 47 P CA 1.029 64.128 63.100 -0.003 0.000 0.781 47 P CB 0.256 31.953 31.700 -0.005 0.000 0.931 48 D N -0.189 120.217 120.400 0.010 0.000 2.269 48 D HA -0.035 4.604 4.640 -0.001 0.000 0.208 48 D C 0.563 176.889 176.300 0.042 0.000 0.963 48 D CA 0.845 54.858 54.000 0.022 0.000 0.864 48 D CB -0.870 39.940 40.800 0.017 0.000 0.936 48 D HN 0.108 nan 8.370 nan 0.000 0.505 49 T N 1.125 115.700 114.554 0.035 0.000 2.902 49 T HA 0.125 4.475 4.350 -0.001 0.000 0.301 49 T C 0.508 175.242 174.700 0.057 0.000 1.012 49 T CA -0.223 61.907 62.100 0.050 0.000 1.151 49 T CB 1.298 70.178 68.868 0.019 0.000 0.946 49 T HN -0.240 nan 8.240 nan 0.000 0.542 50 V N 5.405 125.376 119.914 0.094 0.000 2.649 50 V HA 0.314 4.434 4.120 -0.001 0.000 0.292 50 V C 0.655 176.763 176.094 0.022 0.000 1.055 50 V CA -0.280 62.074 62.300 0.090 0.000 1.023 50 V CB 0.899 32.840 31.823 0.197 0.000 0.992 50 V HN 0.718 nan 8.190 nan 0.000 0.480 51 R N 3.357 123.875 120.500 0.030 0.000 2.437 51 R HA 0.497 4.836 4.340 -0.001 0.000 0.310 51 R C -1.389 174.948 176.300 0.061 0.000 0.955 51 R CA -0.495 55.612 56.100 0.011 0.000 0.851 51 R CB 1.955 32.243 30.300 -0.019 0.000 1.161 51 R HN 0.610 nan 8.270 nan 0.000 0.446 52 F N 2.549 122.417 119.950 -0.137 0.000 2.427 52 F HA 0.300 4.826 4.527 -0.002 0.000 0.348 52 F C -0.381 175.301 175.800 -0.197 0.000 1.125 52 F CA -0.995 56.906 58.000 -0.164 0.000 0.989 52 F CB 1.356 40.234 39.000 -0.202 0.000 1.165 52 F HN 0.423 nan 8.300 nan 0.000 0.442 53 E N 5.049 124.775 120.200 -0.789 0.000 2.105 53 E HA 0.445 4.794 4.350 -0.001 0.000 0.285 53 E C -0.544 175.257 176.600 -1.331 0.000 1.055 53 E CA -0.549 55.375 56.400 -0.793 0.000 0.843 53 E CB 1.032 30.487 29.700 -0.409 0.000 1.067 53 E HN 0.679 nan 8.360 nan 0.000 0.398 54 A N 4.908 127.010 122.820 -1.196 0.000 2.527 54 A HA 0.108 4.427 4.320 -0.001 0.000 0.313 54 A C 0.078 177.311 177.584 -0.586 0.000 1.410 54 A CA -0.272 50.920 52.037 -1.408 0.000 1.060 54 A CB -0.012 18.186 19.000 -1.336 0.000 1.137 54 A HN 0.496 nan 8.150 nan 0.000 0.542 55 K N 3.130 123.380 120.400 -0.251 0.000 2.183 55 K HA 0.518 4.837 4.320 -0.001 0.000 0.274 55 K C 0.982 177.817 176.600 0.391 0.000 1.009 55 K CA 0.592 56.925 56.287 0.077 0.000 0.888 55 K CB 0.617 33.140 32.500 0.039 0.000 1.078 55 K HN 1.328 nan 8.250 nan 0.000 0.459 56 G N 2.283 111.244 108.800 0.269 0.000 2.566 56 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.280 56 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.280 56 G C -0.427 174.690 174.900 0.363 0.000 1.225 56 G CA 0.265 45.512 45.100 0.245 0.000 0.966 56 G HN 0.854 nan 8.290 nan 0.000 0.560 57 T N -2.734 111.919 114.554 0.165 0.000 3.198 57 T HA 0.547 4.896 4.350 -0.001 0.000 0.352 57 T C -1.199 173.308 174.700 -0.323 0.000 1.197 57 T CA 0.344 62.393 62.100 -0.085 0.000 1.427 57 T CB 1.565 70.519 68.868 0.144 0.000 0.983 57 T HN 0.769 nan 8.240 nan 0.000 0.560 58 D N 1.540 121.491 120.400 -0.748 0.000 2.346 58 D HA 0.272 4.911 4.640 -0.001 0.000 0.255 58 D C 1.115 176.952 176.300 -0.771 0.000 1.276 58 D CA -0.697 52.986 54.000 -0.529 0.000 0.941 58 D CB 1.449 42.107 40.800 -0.237 0.000 1.199 58 D HN 0.427 nan 8.370 nan 0.000 0.537 59 R N 2.404 122.580 120.500 -0.541 0.000 2.112 59 R HA -0.233 4.106 4.340 -0.001 0.000 0.242 59 R C 1.685 177.902 176.300 -0.139 0.000 1.137 59 R CA 2.224 58.122 56.100 -0.336 0.000 0.944 59 R CB 0.029 30.216 30.300 -0.189 0.000 0.857 59 R HN 0.388 nan 8.270 nan 0.000 0.435 60 A N 0.286 123.045 122.820 -0.101 0.000 1.930 60 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 60 A C 2.328 179.938 177.584 0.043 0.000 1.175 60 A CA 1.603 53.629 52.037 -0.018 0.000 0.627 60 A CB -0.674 18.316 19.000 -0.017 0.000 0.815 60 A HN 0.576 nan 8.150 nan 0.000 0.443 61 A N -1.167 121.681 122.820 0.048 0.000 1.898 61 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 61 A C 1.939 179.733 177.584 0.349 0.000 1.181 61 A CA 1.462 53.603 52.037 0.173 0.000 0.620 61 A CB -0.744 18.369 19.000 0.189 0.000 0.819 61 A HN 0.723 nan 8.150 nan 0.000 0.442 62 W N -0.326 121.050 121.300 0.127 0.000 2.418 62 W HA 0.109 4.767 4.660 -0.002 0.000 0.292 62 W C 2.759 179.291 176.519 0.022 0.000 1.213 62 W CA 0.269 57.715 57.345 0.167 0.000 1.283 62 W CB -1.342 28.256 29.460 0.231 0.000 1.119 62 W HN 0.411 nan 8.180 nan 0.000 0.542 63 A N 0.867 123.821 122.820 0.224 0.000 1.917 63 A HA -0.111 4.208 4.320 -0.001 0.000 0.219 63 A C 2.271 179.893 177.584 0.063 0.000 1.182 63 A CA 3.079 55.176 52.037 0.099 0.000 0.633 63 A CB -1.161 17.874 19.000 0.059 0.000 0.819 63 A HN 0.155 nan 8.150 nan 0.000 0.448 64 A N -0.917 121.956 122.820 0.089 0.000 1.877 64 A HA -0.214 4.105 4.320 -0.001 0.000 0.216 64 A C 2.131 179.751 177.584 0.059 0.000 1.186 64 A CA 1.736 53.815 52.037 0.069 0.000 0.620 64 A CB -0.582 18.466 19.000 0.080 0.000 0.822 64 A HN 0.656 nan 8.150 nan 0.000 0.443 65 Q N -0.490 119.365 119.800 0.091 0.000 2.119 65 Q HA -0.037 4.302 4.340 -0.001 0.000 0.201 65 Q C 2.061 177.999 176.000 -0.105 0.000 0.972 65 Q CA 1.346 57.186 55.803 0.061 0.000 0.847 65 Q CB -0.299 28.573 28.738 0.223 0.000 0.903 65 Q HN 0.673 nan 8.270 nan 0.000 0.433 66 L N 0.033 121.123 121.223 -0.222 0.000 2.056 66 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 66 L C 2.495 179.314 176.870 -0.085 0.000 1.078 66 L CA 0.905 55.577 54.840 -0.280 0.000 0.749 66 L CB -0.576 41.305 42.059 -0.298 0.000 0.901 66 L HN 0.216 nan 8.230 nan 0.000 0.433 67 A N -0.399 122.401 122.820 -0.034 0.000 1.902 67 A HA -0.290 4.030 4.320 -0.001 0.000 0.217 67 A C 2.217 179.809 177.584 0.013 0.000 1.181 67 A CA 1.908 53.946 52.037 0.002 0.000 0.623 67 A CB -0.513 18.493 19.000 0.010 0.000 0.818 67 A HN 0.397 nan 8.150 nan 0.000 0.443 68 Q N -0.013 119.794 119.800 0.013 0.000 2.050 68 Q HA -0.088 4.251 4.340 -0.001 0.000 0.202 68 Q C 1.883 177.906 176.000 0.038 0.000 0.980 68 Q CA 1.737 57.556 55.803 0.026 0.000 0.840 68 Q CB -0.490 28.269 28.738 0.034 0.000 0.898 68 Q HN 0.660 nan 8.270 nan 0.000 0.424 69 L N 0.148 121.398 121.223 0.045 0.000 2.042 69 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 69 L C 2.484 179.452 176.870 0.164 0.000 1.076 69 L CA 1.979 56.888 54.840 0.115 0.000 0.749 69 L CB -0.516 41.603 42.059 0.101 0.000 0.893 69 L HN 0.338 nan 8.230 nan 0.000 0.432 70 R N -0.126 120.463 120.500 0.149 0.000 2.189 70 R HA -0.137 4.202 4.340 -0.001 0.000 0.218 70 R C 1.877 178.168 176.300 -0.015 0.000 1.074 70 R CA 1.114 57.275 56.100 0.102 0.000 0.991 70 R CB -0.407 29.970 30.300 0.128 0.000 0.883 70 R HN 0.369 nan 8.270 nan 0.000 0.457 71 E N 1.088 121.289 120.200 0.001 0.000 2.028 71 E HA -0.168 4.181 4.350 -0.001 0.000 0.190 71 E C 0.941 177.524 176.600 -0.029 0.000 0.984 71 E CA 1.484 57.876 56.400 -0.013 0.000 0.800 71 E CB 0.059 29.761 29.700 0.002 0.000 0.758 71 E HN 0.335 nan 8.360 nan 0.000 0.448 72 D N 0.350 120.741 120.400 -0.015 0.000 2.144 72 D HA -0.138 4.501 4.640 -0.001 0.000 0.200 72 D C 1.687 177.948 176.300 -0.065 0.000 0.978 72 D CA 0.957 54.944 54.000 -0.021 0.000 0.833 72 D CB -0.049 40.757 40.800 0.010 0.000 0.961 72 D HN 0.236 nan 8.370 nan 0.000 0.470 73 E N 0.053 120.173 120.200 -0.132 0.000 2.340 73 E HA 0.220 4.569 4.350 -0.001 0.000 0.194 73 E C 1.436 177.848 176.600 -0.314 0.000 0.996 73 E CA 0.586 56.826 56.400 -0.267 0.000 0.869 73 E CB 0.547 29.944 29.700 -0.505 0.000 0.835 73 E HN 0.211 nan 8.360 nan 0.000 0.493 74 G N 2.170 110.809 108.800 -0.269 0.000 2.693 74 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.226 74 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.226 74 G C -0.732 173.957 174.900 -0.352 0.000 1.354 74 G CA -0.217 44.750 45.100 -0.221 0.000 0.873 74 G HN 0.210 nan 8.290 nan 0.000 0.562 75 E N -0.368 119.703 120.200 -0.215 0.000 2.384 75 E HA 0.452 4.802 4.350 -0.001 0.000 0.266 75 E C -0.218 176.247 176.600 -0.225 0.000 1.012 75 E CA 0.028 56.338 56.400 -0.151 0.000 0.901 75 E CB 0.430 30.098 29.700 -0.054 0.000 0.967 75 E HN 0.351 nan 8.360 nan 0.000 0.435 76 F N 1.161 121.121 119.950 0.016 0.000 2.378 76 F HA 0.089 4.615 4.527 -0.001 0.000 0.325 76 F C 1.793 177.627 175.800 0.055 0.000 1.097 76 F CA -0.303 57.721 58.000 0.042 0.000 1.079 76 F CB 0.730 39.750 39.000 0.034 0.000 1.240 76 F HN 0.622 nan 8.300 nan 0.000 0.519 77 H N 0.918 120.118 119.070 0.217 0.000 2.395 77 H HA 0.331 4.886 4.556 -0.002 0.000 0.299 77 H C -0.231 175.190 175.328 0.157 0.000 1.070 77 H CA 1.268 57.400 56.048 0.139 0.000 1.356 77 H CB 0.330 30.151 29.762 0.099 0.000 1.401 77 H HN 0.554 nan 8.280 nan 0.000 0.524 78 A N 0.059 123.018 122.820 0.232 0.000 2.608 78 A HA 0.469 4.788 4.320 -0.001 0.000 0.292 78 A C -1.475 176.194 177.584 0.143 0.000 1.066 78 A CA -0.507 51.644 52.037 0.190 0.000 0.676 78 A CB 1.269 20.467 19.000 0.331 0.000 1.277 78 A HN 0.005 nan 8.150 nan 0.000 0.413 79 V N 0.989 120.963 119.914 0.100 0.000 2.398 79 V HA 0.530 4.649 4.120 -0.001 0.000 0.286 79 V C -0.439 175.708 176.094 0.088 0.000 1.026 79 V CA -0.513 61.795 62.300 0.014 0.000 0.868 79 V CB 1.340 33.141 31.823 -0.036 0.000 0.982 79 V HN 0.684 nan 8.190 nan 0.000 0.443 80 V N 3.907 123.851 119.914 0.050 0.000 2.313 80 V HA 0.355 4.474 4.120 -0.001 0.000 0.278 80 V C 0.348 176.480 176.094 0.063 0.000 1.017 80 V CA -0.218 62.130 62.300 0.080 0.000 0.823 80 V CB 1.506 33.351 31.823 0.037 0.000 1.010 80 V HN 0.870 nan 8.190 nan 0.000 0.443 81 S N 4.939 120.696 115.700 0.096 0.000 2.489 81 S HA 0.541 5.011 4.470 -0.001 0.000 0.277 81 S C 0.417 175.091 174.600 0.123 0.000 1.230 81 S CA -0.511 57.745 58.200 0.093 0.000 1.053 81 S CB 0.605 63.875 63.200 0.117 0.000 0.955 81 S HN 0.646 nan 8.310 nan 0.000 0.488 82 L N 5.884 127.147 121.223 0.068 0.000 2.818 82 L HA 0.278 4.618 4.340 -0.001 0.000 0.243 82 L C 1.262 178.173 176.870 0.068 0.000 1.185 82 L CA -0.009 54.865 54.840 0.057 0.000 0.988 82 L CB -0.107 41.870 42.059 -0.136 0.000 1.292 82 L HN 0.654 nan 8.230 nan 0.000 0.519 83 L N 0.237 121.519 121.223 0.099 0.000 2.191 83 L HA -0.157 4.182 4.340 -0.001 0.000 0.212 83 L C 2.796 179.754 176.870 0.147 0.000 1.103 83 L CA 1.053 55.952 54.840 0.098 0.000 0.769 83 L CB -0.577 41.546 42.059 0.107 0.000 0.908 83 L HN 0.401 nan 8.230 nan 0.000 0.438 84 A N 0.420 123.379 122.820 0.231 0.000 2.024 84 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 84 A C 2.522 180.280 177.584 0.291 0.000 1.164 84 A CA 1.543 53.739 52.037 0.265 0.000 0.643 84 A CB -0.536 18.656 19.000 0.321 0.000 0.806 84 A HN 0.407 nan 8.150 nan 0.000 0.451 85 A N -0.369 122.656 122.820 0.341 0.000 2.125 85 A HA 0.339 4.658 4.320 -0.001 0.000 0.219 85 A C 1.511 179.151 177.584 0.095 0.000 1.156 85 A CA 1.024 53.232 52.037 0.285 0.000 0.671 85 A CB -0.755 18.299 19.000 0.091 0.000 0.794 85 A HN 1.128 nan 8.150 nan 0.000 0.459 86 A N 0.420 123.222 122.820 -0.030 0.000 2.666 86 A HA 0.390 4.709 4.320 -0.001 0.000 0.301 86 A C 0.736 178.173 177.584 -0.245 0.000 1.470 86 A CA -0.203 51.598 52.037 -0.393 0.000 1.159 86 A CB -0.287 18.531 19.000 -0.305 0.000 1.116 86 A HN 0.544 nan 8.150 nan 0.000 0.548 87 E N 1.971 122.053 120.200 -0.197 0.000 2.340 87 E HA 0.103 4.452 4.350 -0.001 0.000 0.194 87 E C 1.059 177.623 176.600 -0.060 0.000 0.996 87 E CA 0.349 56.718 56.400 -0.052 0.000 0.869 87 E CB 0.200 29.913 29.700 0.022 0.000 0.835 87 E HN 0.822 nan 8.360 nan 0.000 0.493 88 A N 1.664 124.413 122.820 -0.118 0.000 2.561 88 A HA 0.075 4.394 4.320 -0.001 0.000 0.234 88 A C 0.267 177.852 177.584 0.002 0.000 1.055 88 A CA 0.062 52.091 52.037 -0.014 0.000 0.756 88 A CB -0.003 19.038 19.000 0.068 0.000 0.986 88 A HN 0.161 nan 8.150 nan 0.000 0.505 89 L N 1.591 122.838 121.223 0.040 0.000 2.461 89 L HA 0.100 4.439 4.340 -0.001 0.000 0.272 89 L C 0.984 177.920 176.870 0.110 0.000 1.197 89 L CA -0.114 54.770 54.840 0.072 0.000 0.836 89 L CB 0.249 42.348 42.059 0.065 0.000 1.105 89 L HN 0.879 nan 8.230 nan 0.000 0.477 90 H N 0.453 119.560 119.070 0.061 0.000 2.815 90 H HA -0.074 4.481 4.556 -0.002 0.000 0.350 90 H C 1.156 176.514 175.328 0.049 0.000 1.080 90 H CA 0.486 56.584 56.048 0.085 0.000 1.433 90 H CB 1.205 31.057 29.762 0.150 0.000 1.432 90 H HN 0.679 nan 8.280 nan 0.000 0.592 91 T N 1.972 116.517 114.554 -0.015 0.000 2.929 91 T HA -0.124 4.225 4.350 -0.001 0.000 0.271 91 T C 0.864 175.624 174.700 0.101 0.000 1.085 91 T CA 1.848 63.970 62.100 0.037 0.000 1.125 91 T CB -0.058 68.784 68.868 -0.044 0.000 0.874 91 T HN 0.681 nan 8.240 nan 0.000 0.494 92 D N -0.473 120.089 120.400 0.269 0.000 2.407 92 D HA 0.119 4.758 4.640 -0.001 0.000 0.208 92 D C -0.128 175.838 176.300 -0.558 0.000 1.083 92 D CA 0.170 54.061 54.000 -0.181 0.000 0.844 92 D CB 0.301 40.908 40.800 -0.321 0.000 0.967 92 D HN 0.480 nan 8.370 nan 0.000 0.506 93 H N -0.318 118.808 119.070 0.094 0.000 2.974 93 H HA 0.288 4.843 4.556 -0.001 0.000 0.285 93 H C 1.054 176.402 175.328 0.034 0.000 1.227 93 H CA -0.348 55.686 56.048 -0.025 0.000 1.569 93 H CB 1.134 30.780 29.762 -0.193 0.000 1.648 93 H HN -0.051 nan 8.280 nan 0.000 0.521 94 G N 0.970 109.828 108.800 0.096 0.000 2.776 94 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.209 94 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.209 94 G C 0.837 175.766 174.900 0.048 0.000 1.145 94 G CA 0.200 45.344 45.100 0.074 0.000 0.791 94 G HN 0.346 nan 8.290 nan 0.000 0.530 95 S N -0.611 115.113 115.700 0.040 0.000 2.578 95 S HA 0.275 4.744 4.470 -0.001 0.000 0.231 95 S C 0.097 174.686 174.600 -0.018 0.000 0.994 95 S CA -0.288 57.902 58.200 -0.015 0.000 0.956 95 S CB 1.050 64.234 63.200 -0.026 0.000 0.870 95 S HN 0.035 nan 8.310 nan 0.000 0.494 96 V N 4.119 124.057 119.914 0.039 0.000 2.334 96 V HA 0.347 4.467 4.120 -0.001 0.000 0.281 96 V C -2.671 173.470 176.094 0.078 0.000 1.016 96 V CA -2.425 59.898 62.300 0.038 0.000 0.832 96 V CB 1.067 32.906 31.823 0.027 0.000 0.999 96 V HN 0.047 nan 8.190 nan 0.000 0.439 97 P HA -0.023 nan 4.420 nan 0.000 0.264 97 P C 0.783 178.137 177.300 0.091 0.000 1.183 97 P CA -0.047 63.085 63.100 0.054 0.000 0.763 97 P CB 0.663 32.388 31.700 0.042 0.000 0.807 98 L N 4.624 125.893 121.223 0.076 0.000 2.079 98 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 98 L C 2.145 179.081 176.870 0.111 0.000 1.081 98 L CA 2.557 57.464 54.840 0.112 0.000 0.752 98 L CB -1.445 40.624 42.059 0.015 0.000 0.896 98 L HN 0.518 nan 8.230 nan 0.000 0.433 99 G N -0.987 107.847 108.800 0.057 0.000 2.448 99 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.218 99 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.218 99 G C 1.533 176.511 174.900 0.131 0.000 1.135 99 G CA 0.767 45.923 45.100 0.093 0.000 0.784 99 G HN 0.410 nan 8.290 nan 0.000 0.543 100 L N 1.177 122.469 121.223 0.116 0.000 2.044 100 L HA 0.272 4.612 4.340 -0.001 0.000 0.205 100 L C 3.064 179.999 176.870 0.109 0.000 1.075 100 L CA 1.998 56.904 54.840 0.111 0.000 0.747 100 L CB -0.641 41.472 42.059 0.089 0.000 0.903 100 L HN 0.193 nan 8.230 nan 0.000 0.435 101 A N -0.988 121.900 122.820 0.114 0.000 1.883 101 A HA -0.289 4.031 4.320 -0.001 0.000 0.217 101 A C 2.214 179.895 177.584 0.161 0.000 1.186 101 A CA 2.082 54.182 52.037 0.105 0.000 0.624 101 A CB -0.670 18.424 19.000 0.155 0.000 0.822 101 A HN 0.665 nan 8.150 nan 0.000 0.444 102 Q N -1.192 118.759 119.800 0.250 0.000 2.167 102 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 102 Q C 2.132 178.358 176.000 0.376 0.000 0.970 102 Q CA 1.645 57.698 55.803 0.417 0.000 0.855 102 Q CB -0.283 28.696 28.738 0.401 0.000 0.911 102 Q HN 0.700 nan 8.270 nan 0.000 0.438 103 T N 1.594 116.291 114.554 0.239 0.000 2.708 103 T HA -0.143 4.206 4.350 -0.001 0.000 0.266 103 T C 1.770 176.580 174.700 0.184 0.000 1.037 103 T CA 0.999 63.224 62.100 0.208 0.000 1.146 103 T CB -0.248 68.723 68.868 0.172 0.000 0.865 103 T HN 0.161 nan 8.240 nan 0.000 0.435 104 L N 0.671 121.974 121.223 0.133 0.000 2.042 104 L HA -0.011 4.328 4.340 -0.001 0.000 0.210 104 L C 1.993 178.915 176.870 0.086 0.000 1.076 104 L CA 1.663 56.550 54.840 0.077 0.000 0.749 104 L CB -0.644 41.434 42.059 0.032 0.000 0.893 104 L HN 0.119 nan 8.230 nan 0.000 0.432 105 L N -1.274 120.017 121.223 0.113 0.000 2.156 105 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 105 L C 2.224 179.245 176.870 0.251 0.000 1.095 105 L CA 1.180 56.048 54.840 0.047 0.000 0.770 105 L CB -0.872 41.049 42.059 -0.231 0.000 0.914 105 L HN 0.343 nan 8.230 nan 0.000 0.439 106 L N -0.305 121.185 121.223 0.445 0.000 2.017 106 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 106 L C 2.540 179.530 176.870 0.199 0.000 1.073 106 L CA 2.011 57.091 54.840 0.400 0.000 0.745 106 L CB -0.883 41.365 42.059 0.314 0.000 0.894 106 L HN 0.181 nan 8.230 nan 0.000 0.432 107 A N -1.059 121.847 122.820 0.144 0.000 1.908 107 A HA -0.286 4.033 4.320 -0.001 0.000 0.218 107 A C 2.193 179.767 177.584 -0.017 0.000 1.181 107 A CA 2.024 54.095 52.037 0.056 0.000 0.627 107 A CB -0.631 18.398 19.000 0.048 0.000 0.818 107 A HN 0.679 nan 8.150 nan 0.000 0.445 108 Q N -0.846 118.960 119.800 0.011 0.000 2.020 108 Q HA -0.088 4.252 4.340 -0.001 0.000 0.202 108 Q C 2.427 178.427 176.000 -0.001 0.000 0.982 108 Q CA 1.550 57.341 55.803 -0.020 0.000 0.838 108 Q CB -0.364 28.366 28.738 -0.013 0.000 0.899 108 Q HN 0.678 nan 8.270 nan 0.000 0.423 109 A N 0.494 123.355 122.820 0.068 0.000 2.014 109 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 109 A C 2.044 179.655 177.584 0.045 0.000 1.163 109 A CA 0.706 52.795 52.037 0.086 0.000 0.652 109 A CB -0.502 18.630 19.000 0.220 0.000 0.808 109 A HN 0.254 nan 8.150 nan 0.000 0.449 110 L N -0.577 120.664 121.223 0.031 0.000 2.012 110 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 110 L C 2.864 179.717 176.870 -0.028 0.000 1.073 110 L CA 1.317 56.152 54.840 -0.009 0.000 0.748 110 L CB -0.873 41.183 42.059 -0.005 0.000 0.891 110 L HN 0.470 nan 8.230 nan 0.000 0.431 111 G N -0.478 108.281 108.800 -0.067 0.000 2.446 111 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.217 111 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.217 111 G C 1.151 176.029 174.900 -0.037 0.000 1.168 111 G CA 0.991 46.039 45.100 -0.087 0.000 0.771 111 G HN 0.300 nan 8.290 nan 0.000 0.551 112 D N 1.021 121.407 120.400 -0.024 0.000 2.123 112 D HA -0.048 4.592 4.640 -0.001 0.000 0.196 112 D C 2.688 178.988 176.300 0.000 0.000 0.992 112 D CA 1.357 55.353 54.000 -0.006 0.000 0.833 112 D CB -0.402 40.400 40.800 0.004 0.000 0.954 112 D HN 0.330 nan 8.370 nan 0.000 0.455 113 A N -0.397 122.424 122.820 0.002 0.000 2.208 113 A HA 0.369 4.688 4.320 -0.001 0.000 0.209 113 A C 1.744 179.331 177.584 0.006 0.000 1.161 113 A CA 1.118 53.157 52.037 0.003 0.000 0.782 113 A CB -0.303 18.694 19.000 -0.005 0.000 0.816 113 A HN 0.269 nan 8.150 nan 0.000 0.477 114 G N -1.350 107.452 108.800 0.003 0.000 2.160 114 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.251 114 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.251 114 G C -0.101 174.811 174.900 0.020 0.000 1.008 114 G CA 0.313 45.418 45.100 0.009 0.000 0.724 114 G HN 0.386 nan 8.290 nan 0.000 0.514 115 L N 1.140 122.378 121.223 0.025 0.000 2.360 115 L HA 0.499 4.839 4.340 -0.001 0.000 0.276 115 L C 1.762 178.656 176.870 0.040 0.000 1.121 115 L CA 1.244 56.117 54.840 0.055 0.000 0.845 115 L CB 1.409 43.500 42.059 0.052 0.000 1.143 115 L HN 0.354 nan 8.230 nan 0.000 0.452 116 T N -0.751 113.833 114.554 0.049 0.000 3.044 116 T HA 0.426 4.775 4.350 -0.001 0.000 0.260 116 T C 0.668 175.387 174.700 0.031 0.000 1.019 116 T CA 0.058 62.177 62.100 0.031 0.000 0.921 116 T CB 0.259 69.140 68.868 0.023 0.000 1.053 116 T HN 0.514 nan 8.240 nan 0.000 0.533 117 A N 2.919 125.774 122.820 0.059 0.000 2.445 117 A HA 0.542 4.862 4.320 -0.001 0.000 0.242 117 A C -2.464 175.127 177.584 0.012 0.000 1.075 117 A CA -1.265 50.800 52.037 0.047 0.000 0.777 117 A CB -0.268 18.809 19.000 0.128 0.000 1.013 117 A HN 0.226 nan 8.150 nan 0.000 0.493 118 P HA 0.182 nan 4.420 nan 0.000 0.267 118 P C -0.613 176.614 177.300 -0.122 0.000 1.205 118 P CA -0.100 62.932 63.100 -0.114 0.000 0.765 118 P CB 0.402 31.995 31.700 -0.178 0.000 0.828 119 L N 5.334 126.432 121.223 -0.209 0.000 2.290 119 L HA 0.442 4.782 4.340 -0.001 0.000 0.284 119 L C -1.353 175.154 176.870 -0.606 0.000 1.078 119 L CA -0.240 54.490 54.840 -0.182 0.000 0.815 119 L CB -0.078 42.001 42.059 0.034 0.000 1.162 119 L HN 0.310 nan 8.230 nan 0.000 0.435 120 W N 4.771 125.877 121.300 -0.324 0.000 2.475 120 W HA 0.508 5.166 4.660 -0.004 0.000 0.317 120 W C -0.659 175.720 176.519 -0.234 0.000 1.046 120 W CA -0.414 56.694 57.345 -0.396 0.000 1.215 120 W CB 1.646 30.960 29.460 -0.245 0.000 1.335 120 W HN 0.442 nan 8.180 nan 0.000 0.471 121 C N 5.395 124.671 119.300 -0.040 0.000 2.239 121 C HA 0.539 4.998 4.460 -0.001 0.000 0.325 121 C C 0.363 175.400 174.990 0.078 0.000 1.231 121 C CA -0.763 58.293 59.018 0.064 0.000 1.652 121 C CB -1.127 26.675 27.740 0.104 0.000 2.284 121 C HN 0.440 nan 8.230 nan 0.000 0.499 122 L N 4.052 125.382 121.223 0.177 0.000 2.343 122 L HA 0.716 5.055 4.340 -0.001 0.000 0.275 122 L C 0.661 177.650 176.870 0.198 0.000 1.056 122 L CA 0.130 55.091 54.840 0.202 0.000 0.804 122 L CB 1.594 43.847 42.059 0.323 0.000 1.203 122 L HN 0.760 nan 8.230 nan 0.000 0.440 123 T N -0.786 113.785 114.554 0.028 0.000 2.887 123 T HA 0.575 4.924 4.350 -0.001 0.000 0.292 123 T C -0.552 173.795 174.700 -0.588 0.000 1.087 123 T CA -1.023 61.005 62.100 -0.120 0.000 1.009 123 T CB 2.536 71.573 68.868 0.280 0.000 1.203 123 T HN 0.450 nan 8.240 nan 0.000 0.518 124 R N 0.073 120.138 120.500 -0.724 0.000 2.507 124 R HA 0.507 4.846 4.340 -0.001 0.000 0.298 124 R C 0.559 176.633 176.300 -0.376 0.000 1.087 124 R CA 0.284 55.925 56.100 -0.765 0.000 0.917 124 R CB 0.863 30.271 30.300 -1.487 0.000 1.173 124 R HN 1.441 nan 8.270 nan 0.000 0.472 125 G N 1.996 110.631 108.800 -0.274 0.000 2.149 125 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.235 125 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.235 125 G C 0.607 175.395 174.900 -0.186 0.000 1.018 125 G CA 0.308 45.286 45.100 -0.203 0.000 0.728 125 G HN 0.741 nan 8.290 nan 0.000 0.508 126 G N -1.220 107.466 108.800 -0.191 0.000 2.939 126 G HA2 0.526 4.486 3.960 -0.001 0.000 0.210 126 G HA3 0.526 4.486 3.960 -0.001 0.000 0.210 126 G C 0.698 175.333 174.900 -0.442 0.000 1.160 126 G CA 1.329 46.314 45.100 -0.190 0.000 0.770 126 G HN 1.740 nan 8.290 nan 0.000 0.543 127 V N -3.571 116.020 119.914 -0.537 0.000 3.040 127 V HA 0.883 5.002 4.120 -0.001 0.000 0.312 127 V C -0.611 175.178 176.094 -0.509 0.000 1.115 127 V CA -1.340 60.589 62.300 -0.619 0.000 0.998 127 V CB 1.681 32.939 31.823 -0.941 0.000 1.042 127 V HN 0.280 nan 8.190 nan 0.000 0.433 128 A N 2.215 124.778 122.820 -0.430 0.000 2.322 128 A HA 0.919 5.239 4.320 -0.001 0.000 0.327 128 A C 0.170 177.389 177.584 -0.609 0.000 1.394 128 A CA 0.049 51.855 52.037 -0.386 0.000 0.921 128 A CB 0.076 18.958 19.000 -0.197 0.000 1.153 128 A HN 2.172 nan 8.150 nan 0.000 0.523 129 A N 2.420 124.770 122.820 -0.784 0.000 2.340 129 A HA 0.840 5.159 4.320 -0.001 0.000 0.297 129 A C 0.322 177.652 177.584 -0.423 0.000 1.195 129 A CA 0.043 51.469 52.037 -1.018 0.000 0.769 129 A CB 0.311 18.343 19.000 -1.613 0.000 1.163 129 A HN 2.681 nan 8.150 nan 0.000 0.472 130 G N 1.445 110.131 108.800 -0.191 0.000 2.911 130 G HA2 0.012 3.971 3.960 -0.001 0.000 0.686 130 G HA3 0.012 3.971 3.960 -0.001 0.000 0.686 130 G C -0.224 174.637 174.900 -0.065 0.000 1.136 130 G CA -0.567 44.488 45.100 -0.076 0.000 0.764 130 G HN 1.095 nan 8.290 nan 0.000 0.626 131 R N 0.794 121.281 120.500 -0.022 0.000 2.584 131 R HA 0.223 4.562 4.340 -0.001 0.000 0.315 131 R C 1.800 178.076 176.300 -0.041 0.000 0.863 131 R CA 2.381 58.469 56.100 -0.020 0.000 1.139 131 R CB -0.419 29.876 30.300 -0.008 0.000 0.880 131 R HN 2.500 nan 8.270 nan 0.000 0.413 132 G N 3.173 111.947 108.800 -0.045 0.000 2.184 132 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.264 132 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.264 132 G C -0.057 174.798 174.900 -0.076 0.000 0.975 132 G CA 0.359 45.426 45.100 -0.054 0.000 0.642 132 G HN 0.728 nan 8.290 nan 0.000 0.536 133 D N 0.099 120.438 120.400 -0.102 0.000 2.424 133 D HA 0.424 5.063 4.640 -0.001 0.000 0.244 133 D C 0.514 176.734 176.300 -0.132 0.000 1.134 133 D CA 0.010 53.928 54.000 -0.137 0.000 0.881 133 D CB 1.195 41.870 40.800 -0.208 0.000 1.191 133 D HN 0.147 nan 8.370 nan 0.000 0.445 134 V N 5.440 125.280 119.914 -0.122 0.000 2.364 134 V HA 0.149 4.269 4.120 -0.001 0.000 0.272 134 V C 0.398 176.426 176.094 -0.109 0.000 1.036 134 V CA -0.760 61.479 62.300 -0.103 0.000 0.880 134 V CB 1.251 33.028 31.823 -0.077 0.000 0.991 134 V HN 0.512 nan 8.190 nan 0.000 0.460 135 L N 5.599 126.763 121.223 -0.098 0.000 2.454 135 L HA 0.140 4.479 4.340 -0.001 0.000 0.284 135 L C 1.607 178.511 176.870 0.056 0.000 1.139 135 L CA 0.008 54.798 54.840 -0.083 0.000 0.911 135 L CB 0.919 42.910 42.059 -0.113 0.000 1.262 135 L HN 0.901 nan 8.230 nan 0.000 0.453 136 S N 0.745 116.451 115.700 0.009 0.000 2.470 136 S HA -0.021 4.449 4.470 -0.001 0.000 0.225 136 S C 0.918 175.470 174.600 -0.080 0.000 1.006 136 S CA 0.252 58.487 58.200 0.058 0.000 0.934 136 S CB 0.164 63.366 63.200 0.003 0.000 0.778 136 S HN 0.548 nan 8.310 nan 0.000 0.517 137 S N 2.309 117.935 115.700 -0.123 0.000 2.395 137 S HA 0.480 4.949 4.470 -0.001 0.000 0.207 137 S C -2.311 172.213 174.600 -0.127 0.000 1.454 137 S CA -1.550 56.571 58.200 -0.131 0.000 1.211 137 S CB 1.113 64.284 63.200 -0.050 0.000 1.093 137 S HN 0.045 nan 8.310 nan 0.000 0.472 138 P HA -0.124 nan 4.420 nan 0.000 0.218 138 P C 1.791 179.117 177.300 0.044 0.000 1.148 138 P CA 1.216 64.191 63.100 -0.209 0.000 0.822 138 P CB -0.352 31.075 31.700 -0.455 0.000 0.784 139 V N -1.531 118.479 119.914 0.161 0.000 2.287 139 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 139 V C 2.276 178.478 176.094 0.180 0.000 1.053 139 V CA 1.752 64.187 62.300 0.226 0.000 1.027 139 V CB -2.046 29.855 31.823 0.130 0.000 0.646 139 V HN 0.074 nan 8.190 nan 0.000 0.447 140 Q N 1.010 120.889 119.800 0.131 0.000 2.224 140 Q HA -0.003 4.336 4.340 -0.001 0.000 0.203 140 Q C 2.395 178.548 176.000 0.254 0.000 0.970 140 Q CA 1.402 57.311 55.803 0.177 0.000 0.865 140 Q CB -0.544 28.274 28.738 0.133 0.000 0.922 140 Q HN 0.793 nan 8.270 nan 0.000 0.445 141 G N 0.955 109.841 108.800 0.143 0.000 2.432 141 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.219 141 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.219 141 G C 1.490 176.533 174.900 0.239 0.000 1.135 141 G CA 0.804 45.970 45.100 0.110 0.000 0.767 141 G HN 0.409 nan 8.290 nan 0.000 0.550 142 A N 0.474 123.442 122.820 0.247 0.000 1.940 142 A HA 0.022 4.341 4.320 -0.001 0.000 0.219 142 A C 2.334 180.071 177.584 0.255 0.000 1.176 142 A CA 1.437 53.626 52.037 0.254 0.000 0.631 142 A CB -0.401 18.749 19.000 0.251 0.000 0.814 142 A HN 0.380 nan 8.150 nan 0.000 0.446 143 L N -1.902 119.492 121.223 0.285 0.000 2.187 143 L HA -0.171 4.168 4.340 -0.001 0.000 0.213 143 L C 2.164 179.172 176.870 0.230 0.000 1.100 143 L CA 1.350 56.333 54.840 0.238 0.000 0.765 143 L CB -0.287 41.905 42.059 0.221 0.000 0.904 143 L HN 0.633 nan 8.230 nan 0.000 0.437 144 W N -0.715 120.668 121.300 0.138 0.000 2.374 144 W HA -0.034 4.633 4.660 0.012 0.000 0.288 144 W C 2.453 179.040 176.519 0.114 0.000 1.218 144 W CA 1.136 58.574 57.345 0.155 0.000 1.245 144 W CB -1.121 28.434 29.460 0.158 0.000 1.126 144 W HN 0.165 nan 8.180 nan 0.000 0.545 145 G N 0.006 108.976 108.800 0.284 0.000 2.403 145 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.216 145 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.216 145 G C 1.455 176.410 174.900 0.092 0.000 1.154 145 G CA 0.925 46.129 45.100 0.174 0.000 0.784 145 G HN 0.200 nan 8.290 nan 0.000 0.538 146 L N 1.661 122.930 121.223 0.077 0.000 2.017 146 L HA 0.137 4.476 4.340 -0.001 0.000 0.208 146 L C 2.739 179.534 176.870 -0.126 0.000 1.073 146 L CA 2.461 57.301 54.840 -0.001 0.000 0.745 146 L CB -1.005 41.072 42.059 0.030 0.000 0.894 146 L HN 0.148 nan 8.230 nan 0.000 0.432 147 G N -0.873 107.859 108.800 -0.113 0.000 2.440 147 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.218 147 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.218 147 G C 1.771 176.332 174.900 -0.566 0.000 1.154 147 G CA 0.784 45.659 45.100 -0.375 0.000 0.767 147 G HN 0.398 nan 8.290 nan 0.000 0.552 148 R N -0.338 120.061 120.500 -0.168 0.000 2.081 148 R HA -0.028 4.311 4.340 -0.001 0.000 0.235 148 R C 2.693 178.850 176.300 -0.239 0.000 1.131 148 R CA 1.164 57.197 56.100 -0.112 0.000 0.960 148 R CB -0.462 29.899 30.300 0.103 0.000 0.856 148 R HN 0.320 nan 8.270 nan 0.000 0.436 149 V N 1.412 121.210 119.914 -0.194 0.000 2.343 149 V HA -0.238 3.881 4.120 -0.001 0.000 0.247 149 V C 2.237 178.126 176.094 -0.342 0.000 1.051 149 V CA 1.697 63.884 62.300 -0.188 0.000 1.036 149 V CB -0.397 31.372 31.823 -0.090 0.000 0.654 149 V HN 0.285 nan 8.190 nan 0.000 0.451 150 I N 1.028 121.286 120.570 -0.520 0.000 2.248 150 I HA -0.216 3.953 4.170 -0.001 0.000 0.248 150 I C 2.547 178.198 176.117 -0.775 0.000 1.107 150 I CA 1.760 62.692 61.300 -0.614 0.000 1.373 150 I CB -0.901 36.587 38.000 -0.853 0.000 1.055 150 I HN 0.424 nan 8.210 nan 0.000 0.418 151 G N 0.790 108.879 108.800 -1.185 0.000 2.432 151 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.219 151 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.219 151 G C 1.671 176.359 174.900 -0.353 0.000 1.135 151 G CA 0.428 45.055 45.100 -0.788 0.000 0.767 151 G HN 0.305 nan 8.290 nan 0.000 0.550 152 L N -0.472 120.542 121.223 -0.349 0.000 2.270 152 L HA 0.165 4.504 4.340 -0.001 0.000 0.210 152 L C 2.648 179.350 176.870 -0.281 0.000 1.104 152 L CA 0.643 55.303 54.840 -0.300 0.000 0.804 152 L CB -0.074 41.830 42.059 -0.258 0.000 0.937 152 L HN 0.209 nan 8.230 nan 0.000 0.450 153 E N -1.157 118.849 120.200 -0.322 0.000 2.216 153 E HA 0.021 4.370 4.350 -0.001 0.000 0.192 153 E C 0.251 176.428 176.600 -0.704 0.000 0.973 153 E CA 0.476 56.599 56.400 -0.461 0.000 0.851 153 E CB 0.439 29.859 29.700 -0.467 0.000 0.804 153 E HN 0.461 nan 8.360 nan 0.000 0.477 154 H N -0.011 118.982 119.070 -0.129 0.000 2.535 154 H HA 0.151 4.706 4.556 -0.002 0.000 0.232 154 H C -1.902 173.411 175.328 -0.025 0.000 1.405 154 H CA -1.540 54.469 56.048 -0.064 0.000 1.224 154 H CB 0.782 30.519 29.762 -0.041 0.000 1.763 154 H HN 0.116 nan 8.280 nan 0.000 0.529 155 P HA -0.127 nan 4.420 nan 0.000 0.218 155 P C 0.891 178.232 177.300 0.067 0.000 1.149 155 P CA 1.031 64.147 63.100 0.027 0.000 0.817 155 P CB 0.579 32.251 31.700 -0.047 0.000 0.785 156 D N 0.069 120.501 120.400 0.053 0.000 2.312 156 D HA -0.087 4.552 4.640 -0.001 0.000 0.211 156 D C 1.638 177.966 176.300 0.046 0.000 0.964 156 D CA 0.797 54.821 54.000 0.039 0.000 0.877 156 D CB -0.037 40.780 40.800 0.028 0.000 0.924 156 D HN 0.472 nan 8.370 nan 0.000 0.515 157 R N -0.693 119.861 120.500 0.089 0.000 2.629 157 R HA 0.137 4.476 4.340 -0.001 0.000 0.386 157 R C 0.004 176.374 176.300 0.117 0.000 1.071 157 R CA -0.531 55.612 56.100 0.072 0.000 1.104 157 R CB -0.268 30.067 30.300 0.057 0.000 1.370 157 R HN 0.024 nan 8.270 nan 0.000 0.574 158 W N 1.166 122.380 121.300 -0.144 0.000 2.376 158 W HA 0.420 5.077 4.660 -0.004 0.000 0.312 158 W C -0.411 175.853 176.519 -0.425 0.000 1.060 158 W CA -0.579 56.621 57.345 -0.242 0.000 1.221 158 W CB 1.944 31.292 29.460 -0.186 0.000 1.281 158 W HN 0.194 nan 8.180 nan 0.000 0.456 159 G N 2.941 110.874 108.800 -1.446 0.000 2.557 159 G HA2 0.404 4.363 3.960 -0.001 0.000 0.213 159 G HA3 0.404 4.363 3.960 -0.001 0.000 0.213 159 G C 0.306 173.606 174.900 -2.667 0.000 1.221 159 G CA 0.885 44.691 45.100 -2.157 0.000 0.832 159 G HN 0.832 nan 8.290 nan 0.000 0.556 160 G N -1.579 105.467 108.800 -2.924 0.000 2.351 160 G HA2 0.382 4.341 3.960 -0.001 0.000 0.279 160 G HA3 0.382 4.341 3.960 -0.001 0.000 0.279 160 G C -2.035 172.378 174.900 -0.812 0.000 1.297 160 G CA -0.837 43.269 45.100 -1.657 0.000 0.886 160 G HN 0.478 nan 8.290 nan 0.000 0.493 161 L N 0.159 121.215 121.223 -0.279 0.000 2.386 161 L HA 0.784 5.123 4.340 -0.001 0.000 0.271 161 L C -0.579 176.248 176.870 -0.072 0.000 0.993 161 L CA -0.732 53.880 54.840 -0.381 0.000 0.819 161 L CB 2.181 43.472 42.059 -1.279 0.000 1.294 161 L HN 0.478 nan 8.230 nan 0.000 0.414 162 I N 1.506 122.117 120.570 0.069 0.000 2.512 162 I HA 0.248 4.418 4.170 -0.001 0.000 0.287 162 I C -1.127 175.159 176.117 0.282 0.000 1.069 162 I CA -0.453 60.991 61.300 0.240 0.000 1.056 162 I CB 2.245 40.321 38.000 0.127 0.000 1.229 162 I HN 0.495 nan 8.210 nan 0.000 0.429 163 D N 6.101 126.743 120.400 0.403 0.000 2.277 163 D HA 0.502 5.141 4.640 -0.001 0.000 0.249 163 D C -0.622 175.670 176.300 -0.013 0.000 1.134 163 D CA -0.040 54.065 54.000 0.175 0.000 0.863 163 D CB 1.106 41.937 40.800 0.051 0.000 1.143 163 D HN 0.298 nan 8.370 nan 0.000 0.458 164 L N 5.252 126.398 121.223 -0.128 0.000 2.421 164 L HA 0.491 4.830 4.340 -0.001 0.000 0.263 164 L C -1.746 175.034 176.870 -0.150 0.000 1.122 164 L CA -1.706 53.063 54.840 -0.119 0.000 0.804 164 L CB 1.175 43.167 42.059 -0.110 0.000 1.150 164 L HN 0.409 nan 8.230 nan 0.000 0.457 165 P HA 0.088 nan 4.420 nan 0.000 0.277 165 P C -0.199 177.061 177.300 -0.068 0.000 1.271 165 P CA -0.437 62.612 63.100 -0.085 0.000 0.795 165 P CB 0.539 32.209 31.700 -0.051 0.000 1.101 166 E N -0.365 119.802 120.200 -0.055 0.000 2.049 166 E HA -0.137 4.212 4.350 -0.001 0.000 0.198 166 E C 0.659 177.274 176.600 0.026 0.000 1.007 166 E CA 1.617 58.006 56.400 -0.019 0.000 0.809 166 E CB -1.425 28.264 29.700 -0.019 0.000 0.749 166 E HN 0.428 nan 8.360 nan 0.000 0.450 167 T N 1.349 115.912 114.554 0.016 0.000 2.770 167 T HA 0.390 4.740 4.350 -0.001 0.000 0.283 167 T C -0.779 173.940 174.700 0.032 0.000 0.988 167 T CA -0.704 61.416 62.100 0.033 0.000 0.957 167 T CB 1.185 70.067 68.868 0.023 0.000 0.930 167 T HN -0.071 nan 8.240 nan 0.000 0.443 168 V N 7.543 127.490 119.914 0.056 0.000 2.299 168 V HA 0.251 4.370 4.120 -0.001 0.000 0.255 168 V C 0.520 176.634 176.094 0.033 0.000 1.100 168 V CA -0.834 61.497 62.300 0.051 0.000 0.938 168 V CB -0.211 31.666 31.823 0.090 0.000 1.139 168 V HN 0.958 nan 8.190 nan 0.000 0.490 169 D N 2.441 122.852 120.400 0.018 0.000 2.447 169 D HA 0.052 4.691 4.640 -0.001 0.000 0.265 169 D C 1.388 177.692 176.300 0.006 0.000 1.250 169 D CA -0.184 53.822 54.000 0.010 0.000 1.046 169 D CB 0.772 41.575 40.800 0.005 0.000 1.095 169 D HN 0.191 nan 8.370 nan 0.000 0.555 170 T N -1.519 113.036 114.554 0.001 0.000 2.904 170 T HA -0.083 4.266 4.350 -0.001 0.000 0.267 170 T C 1.785 176.482 174.700 -0.006 0.000 1.059 170 T CA 1.103 63.202 62.100 -0.003 0.000 1.137 170 T CB -0.164 68.702 68.868 -0.004 0.000 0.879 170 T HN 0.321 nan 8.240 nan 0.000 0.467 171 R N 0.515 121.012 120.500 -0.005 0.000 2.096 171 R HA 0.026 4.365 4.340 -0.001 0.000 0.235 171 R C 2.758 179.053 176.300 -0.008 0.000 1.127 171 R CA 1.338 57.434 56.100 -0.007 0.000 0.968 171 R CB -0.443 29.853 30.300 -0.006 0.000 0.861 171 R HN 0.404 nan 8.270 nan 0.000 0.440 172 A N 1.227 124.044 122.820 -0.005 0.000 1.898 172 A HA -0.073 4.246 4.320 -0.001 0.000 0.216 172 A C 2.375 179.956 177.584 -0.006 0.000 1.181 172 A CA 1.523 53.558 52.037 -0.004 0.000 0.620 172 A CB -0.571 18.430 19.000 0.002 0.000 0.819 172 A HN 0.384 nan 8.150 nan 0.000 0.442 173 A N -0.142 122.677 122.820 -0.003 0.000 1.940 173 A HA 0.120 4.439 4.320 -0.001 0.000 0.219 173 A C 2.451 180.020 177.584 -0.025 0.000 1.176 173 A CA 2.185 54.217 52.037 -0.009 0.000 0.631 173 A CB -0.864 18.134 19.000 -0.004 0.000 0.814 173 A HN 1.023 nan 8.150 nan 0.000 0.446 174 A N -0.555 122.251 122.820 -0.024 0.000 1.930 174 A HA -0.029 4.290 4.320 -0.001 0.000 0.215 174 A C 2.192 179.753 177.584 -0.039 0.000 1.176 174 A CA 1.192 53.211 52.037 -0.031 0.000 0.632 174 A CB -0.369 18.618 19.000 -0.023 0.000 0.819 174 A HN 0.520 nan 8.150 nan 0.000 0.445 175 R N -0.932 119.549 120.500 -0.031 0.000 2.091 175 R HA -0.131 4.208 4.340 -0.001 0.000 0.238 175 R C 2.096 178.357 176.300 -0.065 0.000 1.136 175 R CA 1.501 57.580 56.100 -0.036 0.000 0.959 175 R CB -0.553 29.735 30.300 -0.020 0.000 0.856 175 R HN 0.499 nan 8.270 nan 0.000 0.437 176 L N 0.816 121.999 121.223 -0.067 0.000 1.976 176 L HA -0.178 4.162 4.340 -0.001 0.000 0.209 176 L C 2.363 179.139 176.870 -0.156 0.000 1.071 176 L CA 2.509 57.284 54.840 -0.108 0.000 0.746 176 L CB -1.031 40.987 42.059 -0.068 0.000 0.890 176 L HN 0.319 nan 8.230 nan 0.000 0.432 177 T N -3.381 111.106 114.554 -0.113 0.000 2.833 177 T HA -0.070 4.279 4.350 -0.001 0.000 0.269 177 T C 1.958 176.582 174.700 -0.128 0.000 1.054 177 T CA 0.908 62.934 62.100 -0.124 0.000 1.135 177 T CB -1.482 67.332 68.868 -0.089 0.000 0.869 177 T HN 0.429 nan 8.240 nan 0.000 0.466 178 G N 1.781 110.521 108.800 -0.100 0.000 2.421 178 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.216 178 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.216 178 G C 1.523 176.361 174.900 -0.103 0.000 1.171 178 G CA 0.770 45.820 45.100 -0.084 0.000 0.775 178 G HN 0.525 nan 8.290 nan 0.000 0.543 179 L N -0.005 121.130 121.223 -0.147 0.000 2.042 179 L HA -0.049 4.290 4.340 -0.001 0.000 0.210 179 L C 2.875 179.551 176.870 -0.322 0.000 1.076 179 L CA 0.628 55.341 54.840 -0.213 0.000 0.749 179 L CB -0.382 41.502 42.059 -0.291 0.000 0.893 179 L HN 0.181 nan 8.230 nan 0.000 0.432 180 L N -0.688 120.305 121.223 -0.382 0.000 2.201 180 L HA -0.171 4.169 4.340 -0.001 0.000 0.212 180 L C 2.774 179.625 176.870 -0.032 0.000 1.105 180 L CA 0.927 55.545 54.840 -0.369 0.000 0.775 180 L CB -0.660 41.209 42.059 -0.318 0.000 0.913 180 L HN 0.250 nan 8.230 nan 0.000 0.440 181 A N -0.969 121.811 122.820 -0.066 0.000 1.898 181 A HA -0.108 4.212 4.320 -0.001 0.000 0.214 181 A C 0.447 178.092 177.584 0.102 0.000 1.183 181 A CA 1.208 53.238 52.037 -0.011 0.000 0.622 181 A CB -0.074 18.881 19.000 -0.076 0.000 0.824 181 A HN 0.418 nan 8.150 nan 0.000 0.444 182 D N -3.611 116.819 120.400 0.050 0.000 2.804 182 D HA 0.521 5.160 4.640 -0.001 0.000 0.209 182 D C -0.330 176.006 176.300 0.060 0.000 1.314 182 D CA 0.306 54.353 54.000 0.080 0.000 0.894 182 D CB 1.204 42.041 40.800 0.061 0.000 1.615 182 D HN 0.087 nan 8.370 nan 0.000 0.571 183 A N 2.715 125.605 122.820 0.116 0.000 2.423 183 A HA 0.576 4.895 4.320 -0.001 0.000 0.246 183 A C 1.552 179.207 177.584 0.119 0.000 1.278 183 A CA 0.378 52.490 52.037 0.124 0.000 0.903 183 A CB -0.270 18.893 19.000 0.272 0.000 0.997 183 A HN 1.254 nan 8.150 nan 0.000 0.510 184 G N -1.016 107.840 108.800 0.094 0.000 2.283 184 G HA2 0.086 4.045 3.960 -0.001 0.000 0.280 184 G HA3 0.086 4.045 3.960 -0.001 0.000 0.280 184 G C 1.479 176.428 174.900 0.082 0.000 1.029 184 G CA 0.945 46.091 45.100 0.076 0.000 0.840 184 G HN 2.099 nan 8.290 nan 0.000 0.505 185 G N -1.858 107.000 108.800 0.095 0.000 2.179 185 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.260 185 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.260 185 G C 0.157 175.115 174.900 0.097 0.000 0.977 185 G CA 0.817 45.967 45.100 0.083 0.000 0.641 185 G HN 0.925 nan 8.290 nan 0.000 0.533 186 E N 0.583 120.859 120.200 0.127 0.000 2.277 186 E HA 0.485 4.834 4.350 -0.001 0.000 0.274 186 E C 0.421 177.138 176.600 0.194 0.000 1.022 186 E CA 0.251 56.740 56.400 0.149 0.000 0.853 186 E CB 1.389 31.184 29.700 0.159 0.000 1.086 186 E HN 0.482 nan 8.360 nan 0.000 0.397 187 D N -0.007 120.491 120.400 0.163 0.000 2.480 187 D HA -0.024 4.616 4.640 -0.001 0.000 0.276 187 D C -0.309 176.083 176.300 0.153 0.000 1.294 187 D CA -0.067 53.987 54.000 0.090 0.000 0.829 187 D CB 0.180 40.957 40.800 -0.038 0.000 1.242 187 D HN 0.204 nan 8.370 nan 0.000 0.513 188 Q N 0.884 120.834 119.800 0.250 0.000 2.490 188 Q HA 0.580 4.919 4.340 -0.001 0.000 0.255 188 Q C -1.208 175.131 176.000 0.565 0.000 0.997 188 Q CA -0.320 55.728 55.803 0.409 0.000 0.709 188 Q CB 2.333 31.308 28.738 0.395 0.000 1.255 188 Q HN 0.107 nan 8.270 nan 0.000 0.486 189 L N 1.077 122.709 121.223 0.681 0.000 2.388 189 L HA 0.933 5.273 4.340 -0.001 0.000 0.264 189 L C -0.880 176.328 176.870 0.563 0.000 0.998 189 L CA -0.856 54.325 54.840 0.568 0.000 0.817 189 L CB 2.194 44.456 42.059 0.339 0.000 1.338 189 L HN 0.536 nan 8.230 nan 0.000 0.414 190 A N 3.105 126.137 122.820 0.352 0.000 2.343 190 A HA 0.782 5.101 4.320 -0.001 0.000 0.308 190 A C -0.917 176.689 177.584 0.036 0.000 1.092 190 A CA -0.381 51.689 52.037 0.056 0.000 0.751 190 A CB 0.838 19.625 19.000 -0.356 0.000 1.203 190 A HN 0.613 nan 8.150 nan 0.000 0.452 191 I N 3.399 123.972 120.570 0.005 0.000 2.315 191 I HA 0.414 4.583 4.170 -0.001 0.000 0.291 191 I C 0.127 176.218 176.117 -0.044 0.000 1.006 191 I CA -0.406 60.890 61.300 -0.007 0.000 1.265 191 I CB 0.775 38.773 38.000 -0.004 0.000 1.387 191 I HN 0.600 nan 8.210 nan 0.000 0.475 192 R N 3.572 124.049 120.500 -0.038 0.000 2.888 192 R HA 0.389 4.729 4.340 -0.001 0.000 0.264 192 R C 0.933 177.213 176.300 -0.032 0.000 1.045 192 R CA -0.717 55.351 56.100 -0.053 0.000 0.962 192 R CB 1.059 31.316 30.300 -0.072 0.000 1.210 192 R HN 0.694 nan 8.270 nan 0.000 0.479 193 G N 0.142 108.921 108.800 -0.034 0.000 2.450 193 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.220 193 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.220 193 G C 1.007 175.898 174.900 -0.015 0.000 1.130 193 G CA 1.401 46.488 45.100 -0.022 0.000 0.760 193 G HN 0.562 nan 8.290 nan 0.000 0.557 194 S N -1.109 114.582 115.700 -0.015 0.000 2.535 194 S HA 0.533 5.002 4.470 -0.001 0.000 0.214 194 S C 0.899 175.500 174.600 0.002 0.000 0.980 194 S CA 0.626 58.822 58.200 -0.006 0.000 0.907 194 S CB 0.512 63.708 63.200 -0.007 0.000 0.790 194 S HN 1.198 nan 8.310 nan 0.000 0.510 195 G N 0.031 108.833 108.800 0.002 0.000 2.341 195 G HA2 0.360 4.319 3.960 -0.001 0.000 0.293 195 G HA3 0.360 4.319 3.960 -0.001 0.000 0.293 195 G C -1.768 173.145 174.900 0.021 0.000 1.298 195 G CA -0.453 44.655 45.100 0.014 0.000 0.868 195 G HN 0.352 nan 8.290 nan 0.000 0.540 196 V N 0.873 120.809 119.914 0.036 0.000 2.439 196 V HA 0.640 4.759 4.120 -0.001 0.000 0.282 196 V C 0.363 176.516 176.094 0.098 0.000 1.039 196 V CA -0.349 61.987 62.300 0.061 0.000 0.913 196 V CB 0.917 32.775 31.823 0.058 0.000 0.983 196 V HN 0.606 nan 8.190 nan 0.000 0.460 197 L N 3.915 125.227 121.223 0.149 0.000 2.333 197 L HA 0.964 5.303 4.340 -0.001 0.000 0.269 197 L C 0.055 177.158 176.870 0.388 0.000 1.010 197 L CA -0.617 54.373 54.840 0.249 0.000 0.818 197 L CB 1.956 44.180 42.059 0.276 0.000 1.306 197 L HN 0.716 nan 8.230 nan 0.000 0.430 198 A N 1.508 124.533 122.820 0.342 0.000 2.469 198 A HA 0.710 5.029 4.320 -0.001 0.000 0.299 198 A C -0.999 176.515 177.584 -0.116 0.000 1.098 198 A CA -0.709 51.476 52.037 0.246 0.000 0.737 198 A CB 1.825 20.907 19.000 0.136 0.000 1.312 198 A HN 0.754 nan 8.150 nan 0.000 0.414 199 R N 0.710 120.917 120.500 -0.488 0.000 2.390 199 R HA 0.538 4.877 4.340 -0.001 0.000 0.291 199 R C -0.855 175.126 176.300 -0.532 0.000 1.070 199 R CA -0.281 55.167 56.100 -1.086 0.000 1.014 199 R CB 0.483 30.146 30.300 -1.062 0.000 1.007 199 R HN 0.666 nan 8.270 nan 0.000 0.466 200 R N 3.532 123.699 120.500 -0.555 0.000 2.651 200 R HA 0.349 4.688 4.340 -0.001 0.000 0.278 200 R C -1.464 174.618 176.300 -0.362 0.000 1.010 200 R CA -1.124 54.772 56.100 -0.341 0.000 0.896 200 R CB 1.541 31.686 30.300 -0.259 0.000 1.211 200 R HN 0.457 nan 8.270 nan 0.000 0.456 201 L N 1.585 122.631 121.223 -0.295 0.000 2.282 201 L HA 0.750 5.089 4.340 -0.001 0.000 0.288 201 L C -0.698 176.036 176.870 -0.226 0.000 1.033 201 L CA -0.141 54.529 54.840 -0.283 0.000 0.807 201 L CB 1.507 43.384 42.059 -0.304 0.000 1.209 201 L HN 0.813 nan 8.230 nan 0.000 0.423 202 A N 2.989 125.698 122.820 -0.184 0.000 2.413 202 A HA 0.592 4.911 4.320 -0.001 0.000 0.307 202 A C -1.043 176.553 177.584 0.020 0.000 1.087 202 A CA -0.658 51.311 52.037 -0.112 0.000 0.750 202 A CB 0.493 19.435 19.000 -0.097 0.000 1.296 202 A HN 0.837 nan 8.150 nan 0.000 0.423 203 H N 0.531 119.631 119.070 0.049 0.000 2.928 203 H HA 0.346 4.900 4.556 -0.003 0.000 0.338 203 H C 0.954 176.287 175.328 0.007 0.000 1.047 203 H CA 1.210 57.192 56.048 -0.110 0.000 1.435 203 H CB 0.780 30.450 29.762 -0.153 0.000 1.428 203 H HN 0.880 nan 8.280 nan 0.000 0.590 204 A N 2.590 125.451 122.820 0.069 0.000 2.332 204 A HA 0.549 4.868 4.320 -0.001 0.000 0.258 204 A C 0.325 177.889 177.584 -0.032 0.000 1.087 204 A CA -0.255 51.789 52.037 0.011 0.000 0.802 204 A CB 0.078 19.040 19.000 -0.063 0.000 1.042 204 A HN 0.887 nan 8.150 nan 0.000 0.489 205 A N 2.243 125.014 122.820 -0.082 0.000 2.531 205 A HA 0.484 4.803 4.320 -0.001 0.000 0.236 205 A C -2.141 175.407 177.584 -0.061 0.000 1.062 205 A CA -0.720 51.281 52.037 -0.060 0.000 0.760 205 A CB -0.885 18.072 19.000 -0.071 0.000 0.995 205 A HN 0.637 nan 8.150 nan 0.000 0.501 206 P HA 0.245 nan 4.420 nan 0.000 0.267 206 P C -0.088 177.189 177.300 -0.038 0.000 1.200 206 P CA 0.436 63.509 63.100 -0.045 0.000 0.772 206 P CB 0.518 32.194 31.700 -0.040 0.000 0.855 207 A N 2.900 125.701 122.820 -0.032 0.000 2.546 207 A HA 0.221 4.541 4.320 -0.001 0.000 0.243 207 A C -0.084 177.488 177.584 -0.019 0.000 1.063 207 A CA 0.172 52.194 52.037 -0.024 0.000 0.757 207 A CB -0.285 18.706 19.000 -0.016 0.000 0.991 207 A HN 0.381 nan 8.150 nan 0.000 0.503 208 V N 6.384 126.288 119.914 -0.016 0.000 2.326 208 V HA 0.272 4.391 4.120 -0.001 0.000 0.281 208 V C -2.276 173.816 176.094 -0.004 0.000 1.015 208 V CA -1.448 60.845 62.300 -0.011 0.000 0.823 208 V CB 1.262 33.077 31.823 -0.014 0.000 1.009 208 V HN 0.784 nan 8.190 nan 0.000 0.436 209 P HA 0.236 nan 4.420 nan 0.000 0.264 209 P C 1.087 178.391 177.300 0.007 0.000 1.193 209 P CA 1.235 64.338 63.100 0.005 0.000 0.763 209 P CB 0.776 32.478 31.700 0.005 0.000 0.810 210 G N 2.487 111.294 108.800 0.012 0.000 2.205 210 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.261 210 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.261 210 G C 1.290 176.196 174.900 0.009 0.000 0.980 210 G CA 0.633 45.741 45.100 0.012 0.000 0.632 210 G HN 0.572 nan 8.290 nan 0.000 0.533 211 S N -0.211 115.492 115.700 0.005 0.000 2.423 211 S HA 0.209 4.678 4.470 -0.001 0.000 0.231 211 S C 2.206 176.808 174.600 0.003 0.000 1.014 211 S CA 1.676 59.877 58.200 0.001 0.000 0.965 211 S CB -0.263 62.933 63.200 -0.006 0.000 0.785 211 S HN 1.532 nan 8.310 nan 0.000 0.495 212 G N 0.479 109.284 108.800 0.008 0.000 2.986 212 G HA2 0.250 4.209 3.960 -0.001 0.000 0.213 212 G HA3 0.250 4.209 3.960 -0.001 0.000 0.213 212 G C 0.247 175.158 174.900 0.018 0.000 1.156 212 G CA -0.499 44.608 45.100 0.011 0.000 0.763 212 G HN 0.426 nan 8.290 nan 0.000 0.547 213 K N -0.209 120.202 120.400 0.019 0.000 3.096 213 K HA -0.197 4.122 4.320 -0.001 0.000 0.266 213 K C 0.514 177.135 176.600 0.035 0.000 1.043 213 K CA 0.240 56.540 56.287 0.023 0.000 0.758 213 K CB -0.969 31.541 32.500 0.017 0.000 1.260 213 K HN 0.496 nan 8.250 nan 0.000 0.481 214 R N 1.634 122.160 120.500 0.044 0.000 2.488 214 R HA 0.007 4.347 4.340 -0.001 0.000 0.317 214 R C -2.028 174.314 176.300 0.071 0.000 0.941 214 R CA -0.820 55.318 56.100 0.064 0.000 1.076 214 R CB 0.348 30.694 30.300 0.076 0.000 0.917 214 R HN -0.058 nan 8.270 nan 0.000 0.407 215 P HA 0.190 nan 4.420 nan 0.000 0.272 215 P C -2.522 174.852 177.300 0.124 0.000 1.230 215 P CA -1.349 61.808 63.100 0.096 0.000 0.788 215 P CB 0.095 31.868 31.700 0.122 0.000 0.949 216 P HA 0.005 nan 4.420 nan 0.000 0.265 216 P C -0.433 177.011 177.300 0.240 0.000 1.193 216 P CA 0.078 63.244 63.100 0.111 0.000 0.765 216 P CB 0.211 31.931 31.700 0.033 0.000 0.823 217 V N 5.809 125.845 119.914 0.203 0.000 2.599 217 V HA 0.126 4.245 4.120 -0.001 0.000 0.300 217 V C 0.779 177.040 176.094 0.279 0.000 1.034 217 V CA 0.931 63.362 62.300 0.218 0.000 1.115 217 V CB -0.700 31.209 31.823 0.143 0.000 0.934 217 V HN 0.817 nan 8.190 nan 0.000 0.485 218 H N 2.622 121.738 119.070 0.077 0.000 2.883 218 H HA 0.572 5.126 4.556 -0.003 0.000 0.277 218 H C 0.198 175.573 175.328 0.078 0.000 1.451 218 H CA -0.320 55.769 56.048 0.069 0.000 1.157 218 H CB 0.963 30.760 29.762 0.057 0.000 1.851 218 H HN 1.090 nan 8.280 nan 0.000 0.566 219 G N 0.267 109.083 108.800 0.025 0.000 2.575 219 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.267 219 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.267 219 G C -0.685 174.229 174.900 0.024 0.000 1.264 219 G CA 0.225 45.306 45.100 -0.031 0.000 0.935 219 G HN 0.838 nan 8.290 nan 0.000 0.568 220 S N -0.799 114.917 115.700 0.026 0.000 2.508 220 S HA 0.622 5.091 4.470 -0.001 0.000 0.284 220 S C -0.030 174.561 174.600 -0.015 0.000 1.192 220 S CA -0.331 57.899 58.200 0.049 0.000 1.070 220 S CB 1.780 65.049 63.200 0.116 0.000 1.004 220 S HN 1.082 nan 8.310 nan 0.000 0.493 221 V N 4.077 123.966 119.914 -0.041 0.000 2.531 221 V HA 0.414 4.533 4.120 -0.001 0.000 0.301 221 V C -0.720 175.364 176.094 -0.017 0.000 1.034 221 V CA -0.800 61.511 62.300 0.017 0.000 0.865 221 V CB 1.599 33.464 31.823 0.069 0.000 0.995 221 V HN 0.713 nan 8.190 nan 0.000 0.424 222 L N 6.861 128.101 121.223 0.030 0.000 2.264 222 L HA 0.624 4.963 4.340 -0.001 0.000 0.289 222 L C -0.385 176.519 176.870 0.058 0.000 1.044 222 L CA 0.234 55.080 54.840 0.010 0.000 0.807 222 L CB 1.435 43.503 42.059 0.015 0.000 1.192 222 L HN 0.464 nan 8.230 nan 0.000 0.425 223 V N 4.390 124.315 119.914 0.019 0.000 2.293 223 V HA 0.357 4.476 4.120 -0.001 0.000 0.275 223 V C 0.490 176.585 176.094 0.001 0.000 1.021 223 V CA -0.407 61.904 62.300 0.019 0.000 0.815 223 V CB 0.916 32.723 31.823 -0.027 0.000 1.025 223 V HN 0.892 nan 8.190 nan 0.000 0.448 224 T N 1.003 115.567 114.554 0.017 0.000 2.913 224 T HA 0.483 4.832 4.350 -0.001 0.000 0.297 224 T C 1.238 175.918 174.700 -0.033 0.000 1.029 224 T CA 0.459 62.577 62.100 0.030 0.000 1.104 224 T CB 1.305 70.262 68.868 0.147 0.000 0.964 224 T HN 1.811 nan 8.240 nan 0.000 0.532 225 G N 1.289 110.075 108.800 -0.023 0.000 2.258 225 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.274 225 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.274 225 G C 0.945 175.826 174.900 -0.032 0.000 1.021 225 G CA 0.331 45.410 45.100 -0.034 0.000 0.798 225 G HN 1.443 nan 8.290 nan 0.000 0.507 226 G N -0.572 108.213 108.800 -0.025 0.000 2.572 226 G HA2 0.155 4.114 3.960 -0.001 0.000 0.216 226 G HA3 0.155 4.114 3.960 -0.001 0.000 0.216 226 G C 1.659 176.540 174.900 -0.031 0.000 1.133 226 G CA 1.810 46.893 45.100 -0.030 0.000 0.791 226 G HN 1.245 nan 8.290 nan 0.000 0.538 227 T N -1.550 112.989 114.554 -0.025 0.000 3.088 227 T HA 0.324 4.673 4.350 -0.001 0.000 0.259 227 T C 1.461 176.140 174.700 -0.034 0.000 1.122 227 T CA 0.381 62.466 62.100 -0.024 0.000 1.095 227 T CB 0.334 69.193 68.868 -0.015 0.000 0.930 227 T HN 0.218 nan 8.240 nan 0.000 0.508 228 G N 0.213 108.987 108.800 -0.044 0.000 2.588 228 G HA2 0.480 4.440 3.960 -0.001 0.000 0.278 228 G HA3 0.480 4.440 3.960 -0.001 0.000 0.278 228 G C 1.095 175.940 174.900 -0.091 0.000 1.307 228 G CA -0.356 44.708 45.100 -0.060 0.000 1.016 228 G HN 0.247 nan 8.290 nan 0.000 0.503 229 G N -0.608 108.116 108.800 -0.126 0.000 2.484 229 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.215 229 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.215 229 G C 1.686 176.427 174.900 -0.266 0.000 1.219 229 G CA 0.975 45.976 45.100 -0.165 0.000 0.791 229 G HN 0.481 nan 8.290 nan 0.000 0.550 230 I N 1.310 121.608 120.570 -0.453 0.000 2.252 230 I HA -0.049 4.120 4.170 -0.001 0.000 0.245 230 I C 3.122 179.063 176.117 -0.294 0.000 1.102 230 I CA 0.903 61.755 61.300 -0.748 0.000 1.385 230 I CB -0.564 36.702 38.000 -1.222 0.000 1.064 230 I HN 0.271 nan 8.210 nan 0.000 0.414 231 G N 0.781 109.511 108.800 -0.115 0.000 2.476 231 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 231 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 231 G C 1.742 176.615 174.900 -0.044 0.000 1.164 231 G CA 0.980 46.072 45.100 -0.013 0.000 0.768 231 G HN 0.500 nan 8.290 nan 0.000 0.560 232 G N 0.387 109.149 108.800 -0.063 0.000 2.469 232 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.219 232 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.219 232 G C 1.976 176.858 174.900 -0.030 0.000 1.150 232 G CA 0.935 46.007 45.100 -0.046 0.000 0.763 232 G HN 0.319 nan 8.290 nan 0.000 0.561 233 R N -0.109 120.373 120.500 -0.030 0.000 2.119 233 R HA 0.104 4.444 4.340 -0.001 0.000 0.222 233 R C 2.714 179.038 176.300 0.041 0.000 1.088 233 R CA 0.507 56.624 56.100 0.029 0.000 0.984 233 R CB -1.026 29.341 30.300 0.111 0.000 0.884 233 R HN 0.372 nan 8.270 nan 0.000 0.447 234 V N 1.376 121.305 119.914 0.024 0.000 2.343 234 V HA -0.212 3.908 4.120 -0.001 0.000 0.247 234 V C 2.525 178.558 176.094 -0.101 0.000 1.051 234 V CA 1.882 64.180 62.300 -0.005 0.000 1.036 234 V CB -0.827 31.023 31.823 0.044 0.000 0.654 234 V HN 0.285 nan 8.190 nan 0.000 0.451 235 A N -0.078 122.688 122.820 -0.089 0.000 1.908 235 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 235 A C 2.363 179.916 177.584 -0.052 0.000 1.181 235 A CA 1.957 53.940 52.037 -0.090 0.000 0.627 235 A CB -0.501 18.464 19.000 -0.059 0.000 0.818 235 A HN 0.527 nan 8.150 nan 0.000 0.445 236 R N -1.349 119.137 120.500 -0.024 0.000 2.092 236 R HA -0.101 4.238 4.340 -0.001 0.000 0.231 236 R C 2.458 178.759 176.300 0.000 0.000 1.119 236 R CA 1.494 57.591 56.100 -0.004 0.000 0.970 236 R CB -0.231 30.074 30.300 0.009 0.000 0.864 236 R HN 0.486 nan 8.270 nan 0.000 0.440 237 R N 1.259 121.759 120.500 0.001 0.000 2.066 237 R HA -0.048 4.291 4.340 -0.001 0.000 0.232 237 R C 2.049 178.346 176.300 -0.004 0.000 1.131 237 R CA 1.272 57.380 56.100 0.012 0.000 0.955 237 R CB -0.563 29.758 30.300 0.035 0.000 0.851 237 R HN 0.132 nan 8.270 nan 0.000 0.432 238 L N 0.079 121.273 121.223 -0.049 0.000 2.042 238 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 238 L C 2.545 179.413 176.870 -0.003 0.000 1.076 238 L CA 1.543 56.356 54.840 -0.044 0.000 0.749 238 L CB -0.674 41.316 42.059 -0.116 0.000 0.893 238 L HN 0.349 nan 8.230 nan 0.000 0.432 239 A N -0.051 122.766 122.820 -0.006 0.000 1.902 239 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 239 A C 2.178 179.775 177.584 0.021 0.000 1.181 239 A CA 1.766 53.810 52.037 0.012 0.000 0.623 239 A CB -0.464 18.541 19.000 0.009 0.000 0.818 239 A HN 0.482 nan 8.150 nan 0.000 0.443 240 E N -0.230 119.982 120.200 0.019 0.000 2.110 240 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 240 E C 1.875 178.493 176.600 0.030 0.000 0.988 240 E CA 1.388 57.803 56.400 0.024 0.000 0.804 240 E CB -0.190 29.523 29.700 0.023 0.000 0.745 240 E HN 0.752 nan 8.360 nan 0.000 0.458 241 Q N -0.705 119.115 119.800 0.035 0.000 2.444 241 Q HA 0.100 4.439 4.340 -0.001 0.000 0.206 241 Q C 0.706 176.740 176.000 0.056 0.000 0.948 241 Q CA 0.425 56.256 55.803 0.047 0.000 0.946 241 Q CB 0.916 29.687 28.738 0.055 0.000 1.027 241 Q HN 0.391 nan 8.270 nan 0.000 0.513 242 G N 0.458 109.289 108.800 0.052 0.000 2.148 242 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.203 242 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.203 242 G C 0.220 175.165 174.900 0.076 0.000 0.993 242 G CA -0.288 44.847 45.100 0.060 0.000 0.661 242 G HN 0.505 nan 8.290 nan 0.000 0.518 243 A N 0.056 122.918 122.820 0.069 0.000 2.587 243 A HA 0.633 4.952 4.320 -0.001 0.000 0.233 243 A C 1.781 179.415 177.584 0.084 0.000 1.049 243 A CA 1.263 53.346 52.037 0.076 0.000 0.754 243 A CB 0.294 19.322 19.000 0.046 0.000 0.977 243 A HN 1.854 nan 8.150 nan 0.000 0.509 244 A N 1.325 124.208 122.820 0.105 0.000 1.930 244 A HA 0.206 4.525 4.320 -0.001 0.000 0.215 244 A C 0.971 178.651 177.584 0.160 0.000 1.176 244 A CA 1.926 54.032 52.037 0.113 0.000 0.632 244 A CB -0.219 18.848 19.000 0.112 0.000 0.819 244 A HN 1.276 nan 8.150 nan 0.000 0.445 245 H N -1.514 117.570 119.070 0.024 0.000 3.083 245 H HA 0.593 5.148 4.556 -0.001 0.000 0.339 245 H C -1.729 173.608 175.328 0.016 0.000 1.020 245 H CA -1.016 55.044 56.048 0.018 0.000 1.360 245 H CB 0.330 30.103 29.762 0.018 0.000 1.811 245 H HN 0.101 nan 8.280 nan 0.000 0.493 246 L N 5.468 126.631 121.223 -0.100 0.000 2.282 246 L HA 0.523 4.862 4.340 -0.001 0.000 0.288 246 L C -0.445 176.222 176.870 -0.338 0.000 1.033 246 L CA -1.175 53.550 54.840 -0.192 0.000 0.807 246 L CB 1.752 43.768 42.059 -0.071 0.000 1.209 246 L HN 0.391 nan 8.230 nan 0.000 0.423 247 V N 5.509 125.226 119.914 -0.329 0.000 2.328 247 V HA 0.370 4.489 4.120 -0.001 0.000 0.278 247 V C 0.019 176.054 176.094 -0.099 0.000 1.021 247 V CA -0.378 61.781 62.300 -0.236 0.000 0.838 247 V CB 1.394 33.090 31.823 -0.212 0.000 0.999 247 V HN 0.505 nan 8.190 nan 0.000 0.447 248 L N 5.715 126.902 121.223 -0.060 0.000 2.280 248 L HA 0.671 5.010 4.340 -0.001 0.000 0.287 248 L C 0.444 177.306 176.870 -0.014 0.000 1.023 248 L CA -0.213 54.608 54.840 -0.033 0.000 0.819 248 L CB 1.817 43.859 42.059 -0.028 0.000 1.212 248 L HN 0.752 nan 8.230 nan 0.000 0.420 249 T N -0.303 114.248 114.554 -0.004 0.000 2.932 249 T HA 0.879 5.229 4.350 -0.001 0.000 0.289 249 T C -0.199 174.508 174.700 0.011 0.000 1.039 249 T CA -0.622 61.484 62.100 0.010 0.000 1.024 249 T CB 2.220 71.102 68.868 0.023 0.000 1.090 249 T HN 0.688 nan 8.240 nan 0.000 0.496 250 S N 0.492 116.202 115.700 0.017 0.000 2.627 250 S HA 0.404 4.873 4.470 -0.001 0.000 0.268 250 S C 0.467 175.082 174.600 0.024 0.000 1.130 250 S CA -1.236 56.975 58.200 0.018 0.000 0.819 250 S CB 1.220 64.425 63.200 0.007 0.000 1.100 250 S HN 0.785 nan 8.310 nan 0.000 0.465 251 R N 0.296 120.813 120.500 0.027 0.000 2.120 251 R HA 0.100 4.439 4.340 -0.001 0.000 0.234 251 R C 2.106 178.419 176.300 0.022 0.000 1.123 251 R CA 1.381 57.498 56.100 0.029 0.000 0.975 251 R CB -0.271 30.049 30.300 0.034 0.000 0.866 251 R HN 0.556 nan 8.270 nan 0.000 0.446 252 R N -0.027 120.483 120.500 0.016 0.000 2.240 252 R HA 0.062 4.402 4.340 -0.001 0.000 0.203 252 R C 1.372 177.678 176.300 0.010 0.000 1.011 252 R CA 0.431 56.538 56.100 0.011 0.000 1.007 252 R CB 0.024 30.328 30.300 0.007 0.000 0.911 252 R HN 0.339 nan 8.270 nan 0.000 0.468 253 G N 0.958 109.764 108.800 0.011 0.000 2.685 253 G HA2 -0.479 3.480 3.960 -0.001 0.000 0.329 253 G HA3 -0.479 3.480 3.960 -0.001 0.000 0.329 253 G C 0.992 175.896 174.900 0.007 0.000 1.271 253 G CA 0.794 45.900 45.100 0.010 0.000 1.003 253 G HN 0.426 nan 8.290 nan 0.000 0.549 254 A N -0.868 121.957 122.820 0.008 0.000 2.125 254 A HA 0.127 4.446 4.320 -0.001 0.000 0.219 254 A C 1.801 179.388 177.584 0.004 0.000 1.156 254 A CA 2.352 54.393 52.037 0.007 0.000 0.671 254 A CB -0.262 18.744 19.000 0.009 0.000 0.794 254 A HN 0.541 nan 8.150 nan 0.000 0.459 255 D N -0.191 120.212 120.400 0.004 0.000 2.339 255 D HA 0.317 4.956 4.640 -0.001 0.000 0.217 255 D C 0.713 177.012 176.300 -0.001 0.000 1.050 255 D CA 0.608 54.608 54.000 0.001 0.000 0.856 255 D CB 0.032 40.833 40.800 0.003 0.000 0.922 255 D HN 0.427 nan 8.370 nan 0.000 0.518 256 A N 1.775 124.594 122.820 -0.002 0.000 2.407 256 A HA 0.365 4.684 4.320 -0.001 0.000 0.248 256 A C -2.155 175.424 177.584 -0.009 0.000 1.082 256 A CA -0.951 51.083 52.037 -0.005 0.000 0.785 256 A CB -0.051 18.946 19.000 -0.006 0.000 1.020 256 A HN -0.102 nan 8.150 nan 0.000 0.489 257 P HA 0.190 nan 4.420 nan 0.000 0.261 257 P C 1.049 178.339 177.300 -0.016 0.000 1.173 257 P CA 1.999 65.089 63.100 -0.015 0.000 0.760 257 P CB 0.436 32.124 31.700 -0.020 0.000 0.783 258 G N 2.840 111.632 108.800 -0.014 0.000 2.179 258 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.260 258 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.260 258 G C 1.188 176.081 174.900 -0.011 0.000 0.977 258 G CA 0.481 45.573 45.100 -0.013 0.000 0.641 258 G HN 0.682 nan 8.290 nan 0.000 0.533 259 A N 0.284 123.098 122.820 -0.009 0.000 1.933 259 A HA 0.402 4.721 4.320 -0.001 0.000 0.218 259 A C 2.796 180.378 177.584 -0.003 0.000 1.175 259 A CA 2.654 54.687 52.037 -0.006 0.000 0.628 259 A CB -0.748 18.250 19.000 -0.004 0.000 0.814 259 A HN 1.778 nan 8.150 nan 0.000 0.444 260 A N -0.297 122.522 122.820 -0.002 0.000 1.897 260 A HA -0.046 4.273 4.320 -0.001 0.000 0.215 260 A C 1.869 179.453 177.584 0.000 0.000 1.181 260 A CA 1.752 53.789 52.037 0.001 0.000 0.620 260 A CB -0.412 18.588 19.000 0.000 0.000 0.821 260 A HN 0.462 nan 8.150 nan 0.000 0.443 261 E N 0.042 120.241 120.200 -0.002 0.000 2.077 261 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 261 E C 1.924 178.522 176.600 -0.002 0.000 0.989 261 E CA 0.787 57.186 56.400 -0.002 0.000 0.800 261 E CB -0.320 29.378 29.700 -0.005 0.000 0.746 261 E HN 0.559 nan 8.360 nan 0.000 0.452 262 L N 0.544 121.765 121.223 -0.004 0.000 1.994 262 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 262 L C 2.628 179.498 176.870 0.000 0.000 1.071 262 L CA 1.551 56.388 54.840 -0.004 0.000 0.745 262 L CB -0.224 41.829 42.059 -0.009 0.000 0.892 262 L HN 0.149 nan 8.230 nan 0.000 0.431 263 R N -0.124 120.378 120.500 0.003 0.000 2.083 263 R HA -0.216 4.123 4.340 -0.001 0.000 0.237 263 R C 2.127 178.433 176.300 0.010 0.000 1.137 263 R CA 1.736 57.841 56.100 0.008 0.000 0.951 263 R CB -0.284 30.023 30.300 0.011 0.000 0.851 263 R HN 0.459 nan 8.270 nan 0.000 0.434 264 A N 1.270 124.095 122.820 0.007 0.000 1.898 264 A HA -0.212 4.108 4.320 -0.001 0.000 0.216 264 A C 2.029 179.618 177.584 0.008 0.000 1.181 264 A CA 1.613 53.654 52.037 0.008 0.000 0.620 264 A CB -0.591 18.412 19.000 0.005 0.000 0.819 264 A HN 0.686 nan 8.150 nan 0.000 0.442 265 E N 0.135 120.338 120.200 0.006 0.000 2.106 265 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 265 E C 1.852 178.457 176.600 0.009 0.000 0.984 265 E CA 1.161 57.565 56.400 0.006 0.000 0.806 265 E CB -0.297 29.406 29.700 0.004 0.000 0.750 265 E HN 0.608 nan 8.360 nan 0.000 0.458 266 L N 0.721 121.950 121.223 0.009 0.000 2.056 266 L HA -0.123 4.216 4.340 -0.001 0.000 0.207 266 L C 2.543 179.424 176.870 0.019 0.000 1.078 266 L CA 1.498 56.345 54.840 0.012 0.000 0.749 266 L CB -0.372 41.693 42.059 0.010 0.000 0.901 266 L HN 0.126 nan 8.230 nan 0.000 0.433 267 E N -0.367 119.844 120.200 0.019 0.000 2.153 267 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 267 E C 2.230 178.841 176.600 0.018 0.000 0.988 267 E CA 0.655 57.068 56.400 0.022 0.000 0.811 267 E CB 0.014 29.726 29.700 0.020 0.000 0.746 267 E HN 0.444 nan 8.360 nan 0.000 0.466 268 Q N 0.064 119.873 119.800 0.014 0.000 2.291 268 Q HA -0.088 4.251 4.340 -0.001 0.000 0.205 268 Q C 2.018 178.027 176.000 0.014 0.000 0.970 268 Q CA 0.799 56.610 55.803 0.013 0.000 0.876 268 Q CB 0.052 28.796 28.738 0.010 0.000 0.935 268 Q HN 0.392 nan 8.270 nan 0.000 0.455 269 L N -0.865 120.368 121.223 0.016 0.000 2.599 269 L HA 0.058 4.397 4.340 -0.001 0.000 0.230 269 L C 1.343 178.226 176.870 0.022 0.000 1.141 269 L CA 0.589 55.440 54.840 0.018 0.000 0.877 269 L CB -0.160 41.910 42.059 0.019 0.000 1.009 269 L HN 0.344 nan 8.230 nan 0.000 0.447 270 G N -0.592 108.221 108.800 0.023 0.000 2.217 270 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.246 270 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.246 270 G C 0.385 175.304 174.900 0.033 0.000 0.990 270 G CA 0.033 45.148 45.100 0.025 0.000 0.627 270 G HN 0.078 nan 8.290 nan 0.000 0.522 271 V N 1.972 121.909 119.914 0.039 0.000 2.673 271 V HA 0.239 4.358 4.120 -0.001 0.000 0.303 271 V C 1.365 177.499 176.094 0.067 0.000 1.046 271 V CA 0.238 62.571 62.300 0.055 0.000 1.126 271 V CB 1.072 32.925 31.823 0.050 0.000 0.934 271 V HN 0.539 nan 8.190 nan 0.000 0.487 272 R N 3.379 123.936 120.500 0.095 0.000 2.442 272 R HA 0.441 4.780 4.340 -0.001 0.000 0.291 272 R C -1.210 175.226 176.300 0.227 0.000 1.069 272 R CA -0.236 55.934 56.100 0.117 0.000 1.022 272 R CB 0.805 31.140 30.300 0.059 0.000 0.976 272 R HN 0.583 nan 8.270 nan 0.000 0.443 273 V N 4.091 124.103 119.914 0.164 0.000 2.444 273 V HA 0.273 4.392 4.120 -0.001 0.000 0.294 273 V C -0.397 175.783 176.094 0.144 0.000 1.022 273 V CA -0.641 61.737 62.300 0.130 0.000 0.850 273 V CB 2.111 33.969 31.823 0.060 0.000 0.992 273 V HN 0.823 nan 8.190 nan 0.000 0.426 274 T N 6.498 121.137 114.554 0.141 0.000 2.779 274 T HA 0.668 5.017 4.350 -0.001 0.000 0.280 274 T C -0.337 174.383 174.700 0.034 0.000 0.987 274 T CA -0.152 62.018 62.100 0.117 0.000 0.966 274 T CB 0.946 69.933 68.868 0.199 0.000 0.933 274 T HN 0.396 nan 8.240 nan 0.000 0.442 275 I N 2.859 123.448 120.570 0.032 0.000 2.382 275 I HA 0.640 4.809 4.170 -0.001 0.000 0.286 275 I C -0.024 176.104 176.117 0.019 0.000 1.002 275 I CA -0.918 60.391 61.300 0.015 0.000 1.135 275 I CB 1.459 39.467 38.000 0.012 0.000 1.288 275 I HN 0.639 nan 8.210 nan 0.000 0.448 276 A N 4.959 127.788 122.820 0.016 0.000 2.355 276 A HA 0.879 5.198 4.320 -0.001 0.000 0.317 276 A C -0.371 177.223 177.584 0.018 0.000 1.094 276 A CA -0.627 51.421 52.037 0.020 0.000 0.764 276 A CB 1.494 20.507 19.000 0.023 0.000 1.230 276 A HN 0.765 nan 8.150 nan 0.000 0.448 277 A N 1.081 123.912 122.820 0.019 0.000 2.302 277 A HA 0.632 4.951 4.320 -0.001 0.000 0.295 277 A C 0.105 177.703 177.584 0.024 0.000 1.235 277 A CA 0.236 52.285 52.037 0.020 0.000 0.876 277 A CB -0.950 18.060 19.000 0.018 0.000 1.133 277 A HN 2.419 nan 8.150 nan 0.000 0.533 278 C N 1.024 120.341 119.300 0.029 0.000 3.268 278 C HA 0.512 4.971 4.460 -0.001 0.000 0.374 278 C C -1.035 173.982 174.990 0.046 0.000 1.126 278 C CA -1.063 57.976 59.018 0.034 0.000 1.162 278 C CB 0.561 28.321 27.740 0.032 0.000 1.503 278 C HN 0.832 nan 8.230 nan 0.000 0.538 279 D N 1.170 121.601 120.400 0.051 0.000 2.348 279 D HA 0.490 5.129 4.640 -0.001 0.000 0.253 279 D C 1.174 177.526 176.300 0.088 0.000 1.161 279 D CA 0.577 54.616 54.000 0.065 0.000 0.876 279 D CB 1.947 42.783 40.800 0.060 0.000 1.160 279 D HN 0.971 nan 8.370 nan 0.000 0.459 280 A N 3.673 126.557 122.820 0.107 0.000 2.125 280 A HA 0.023 4.343 4.320 -0.001 0.000 0.219 280 A C 1.786 179.473 177.584 0.171 0.000 1.156 280 A CA 1.505 53.627 52.037 0.141 0.000 0.671 280 A CB -0.198 18.924 19.000 0.203 0.000 0.794 280 A HN 0.597 nan 8.150 nan 0.000 0.459 281 A N -0.822 122.091 122.820 0.155 0.000 2.275 281 A HA 0.200 4.519 4.320 -0.001 0.000 0.212 281 A C 0.569 178.325 177.584 0.286 0.000 1.201 281 A CA 0.365 52.517 52.037 0.192 0.000 0.843 281 A CB -0.124 18.933 19.000 0.095 0.000 0.873 281 A HN 0.317 nan 8.150 nan 0.000 0.492 282 D N 0.298 120.803 120.400 0.175 0.000 2.411 282 D HA 0.158 4.797 4.640 -0.001 0.000 0.225 282 D C 1.144 177.431 176.300 -0.023 0.000 1.156 282 D CA -0.353 53.695 54.000 0.080 0.000 0.874 282 D CB 0.447 41.278 40.800 0.051 0.000 1.034 282 D HN 0.286 nan 8.370 nan 0.000 0.502 283 R N 3.143 123.487 120.500 -0.260 0.000 2.091 283 R HA -0.156 4.183 4.340 -0.001 0.000 0.238 283 R C 1.728 177.908 176.300 -0.199 0.000 1.136 283 R CA 1.410 57.210 56.100 -0.501 0.000 0.959 283 R CB 0.105 29.907 30.300 -0.831 0.000 0.856 283 R HN 0.588 nan 8.270 nan 0.000 0.437 284 E N -0.163 119.962 120.200 -0.125 0.000 2.072 284 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 284 E C 1.735 178.312 176.600 -0.038 0.000 0.985 284 E CA 1.132 57.492 56.400 -0.066 0.000 0.801 284 E CB -0.098 29.576 29.700 -0.043 0.000 0.750 284 E HN 0.440 nan 8.360 nan 0.000 0.452 285 A N 1.438 124.244 122.820 -0.023 0.000 1.902 285 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 285 A C 2.188 179.773 177.584 0.003 0.000 1.181 285 A CA 1.373 53.410 52.037 -0.001 0.000 0.623 285 A CB -0.726 18.282 19.000 0.013 0.000 0.818 285 A HN 0.397 nan 8.150 nan 0.000 0.443 286 L N -0.106 121.116 121.223 -0.001 0.000 2.012 286 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 286 L C 2.653 179.525 176.870 0.003 0.000 1.073 286 L CA 2.371 57.218 54.840 0.012 0.000 0.748 286 L CB -0.799 41.274 42.059 0.025 0.000 0.891 286 L HN 0.338 nan 8.230 nan 0.000 0.431 287 A N -0.425 122.384 122.820 -0.019 0.000 1.908 287 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 287 A C 2.451 180.033 177.584 -0.003 0.000 1.181 287 A CA 2.033 54.060 52.037 -0.016 0.000 0.627 287 A CB -1.239 17.741 19.000 -0.033 0.000 0.818 287 A HN 0.625 nan 8.150 nan 0.000 0.445 288 A N -0.764 122.055 122.820 -0.002 0.000 1.898 288 A HA 0.018 4.337 4.320 -0.001 0.000 0.216 288 A C 2.128 179.721 177.584 0.015 0.000 1.181 288 A CA 1.605 53.645 52.037 0.005 0.000 0.620 288 A CB -0.575 18.427 19.000 0.004 0.000 0.819 288 A HN 0.619 nan 8.150 nan 0.000 0.442 289 L N -0.222 121.012 121.223 0.018 0.000 2.046 289 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 289 L C 2.270 179.160 176.870 0.033 0.000 1.077 289 L CA 1.660 56.517 54.840 0.027 0.000 0.747 289 L CB -0.347 41.728 42.059 0.027 0.000 0.896 289 L HN 0.403 nan 8.230 nan 0.000 0.432 290 L N -0.949 120.290 121.223 0.026 0.000 2.201 290 L HA -0.122 4.217 4.340 -0.001 0.000 0.212 290 L C 2.539 179.426 176.870 0.028 0.000 1.105 290 L CA 0.896 55.754 54.840 0.029 0.000 0.775 290 L CB -0.767 41.306 42.059 0.023 0.000 0.913 290 L HN 0.362 nan 8.230 nan 0.000 0.440 291 A N -0.256 122.576 122.820 0.021 0.000 2.014 291 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 291 A C 2.062 179.660 177.584 0.023 0.000 1.163 291 A CA 1.032 53.080 52.037 0.018 0.000 0.652 291 A CB -0.245 18.762 19.000 0.011 0.000 0.808 291 A HN 0.421 nan 8.150 nan 0.000 0.449 292 E N -0.228 119.990 120.200 0.031 0.000 2.358 292 E HA 0.071 4.420 4.350 -0.001 0.000 0.195 292 E C -0.162 176.467 176.600 0.048 0.000 1.010 292 E CA -0.285 56.137 56.400 0.037 0.000 0.856 292 E CB -0.156 29.570 29.700 0.044 0.000 0.795 292 E HN 0.571 nan 8.360 nan 0.000 0.504 293 L N 2.734 123.993 121.223 0.060 0.000 2.485 293 L HA 0.076 4.415 4.340 -0.001 0.000 0.275 293 L C -1.958 174.939 176.870 0.045 0.000 1.207 293 L CA -1.689 53.199 54.840 0.080 0.000 0.855 293 L CB -0.442 41.671 42.059 0.091 0.000 1.114 293 L HN -0.134 nan 8.230 nan 0.000 0.485 294 P HA 0.031 nan 4.420 nan 0.000 0.268 294 P C 0.343 177.654 177.300 0.017 0.000 1.205 294 P CA -0.280 62.819 63.100 -0.001 0.000 0.771 294 P CB 0.578 32.254 31.700 -0.042 0.000 0.858 295 E N 1.960 122.167 120.200 0.012 0.000 2.097 295 E HA -0.210 4.139 4.350 -0.001 0.000 0.196 295 E C 1.117 177.731 176.600 0.023 0.000 1.000 295 E CA 1.593 58.004 56.400 0.017 0.000 0.804 295 E CB -0.393 29.315 29.700 0.012 0.000 0.740 295 E HN 0.646 nan 8.360 nan 0.000 0.454 296 D N -0.606 119.805 120.400 0.018 0.000 2.378 296 D HA -0.001 4.638 4.640 -0.001 0.000 0.227 296 D C 0.345 176.669 176.300 0.040 0.000 1.012 296 D CA 0.498 54.513 54.000 0.025 0.000 0.905 296 D CB 0.289 41.096 40.800 0.012 0.000 0.895 296 D HN 0.018 nan 8.370 nan 0.000 0.532 297 A N 1.590 124.435 122.820 0.041 0.000 3.453 297 A HA 0.338 4.657 4.320 -0.001 0.000 0.262 297 A C -2.727 174.900 177.584 0.073 0.000 1.026 297 A CA -0.997 51.079 52.037 0.065 0.000 0.938 297 A CB 0.762 19.802 19.000 0.068 0.000 1.246 297 A HN -0.050 nan 8.150 nan 0.000 0.546 298 P HA 0.170 nan 4.420 nan 0.000 0.272 298 P C 0.119 177.434 177.300 0.024 0.000 1.230 298 P CA -0.179 62.946 63.100 0.042 0.000 0.788 298 P CB 0.904 32.626 31.700 0.036 0.000 0.949 299 L N 2.770 124.010 121.223 0.027 0.000 2.584 299 L HA 0.015 4.355 4.340 -0.001 0.000 0.272 299 L C 1.458 178.321 176.870 -0.010 0.000 1.195 299 L CA 1.283 56.132 54.840 0.015 0.000 0.920 299 L CB -0.252 41.824 42.059 0.029 0.000 1.173 299 L HN 0.564 nan 8.230 nan 0.000 0.489 300 T N 1.318 115.845 114.554 -0.045 0.000 2.971 300 T HA 0.675 5.024 4.350 -0.001 0.000 0.252 300 T C 0.368 175.065 174.700 -0.005 0.000 1.022 300 T CA 0.241 62.295 62.100 -0.077 0.000 0.980 300 T CB 0.232 68.925 68.868 -0.291 0.000 1.044 300 T HN 0.812 nan 8.240 nan 0.000 0.501 301 A N 0.299 123.137 122.820 0.029 0.000 2.594 301 A HA 0.660 4.979 4.320 -0.001 0.000 0.296 301 A C -1.642 175.971 177.584 0.047 0.000 1.061 301 A CA -0.695 51.370 52.037 0.047 0.000 0.689 301 A CB 1.553 20.638 19.000 0.143 0.000 1.280 301 A HN 0.263 nan 8.150 nan 0.000 0.406 302 V N 1.354 121.227 119.914 -0.068 0.000 2.540 302 V HA 0.641 4.761 4.120 -0.001 0.000 0.302 302 V C -1.375 174.486 176.094 -0.387 0.000 1.035 302 V CA -0.274 61.943 62.300 -0.138 0.000 0.873 302 V CB 1.378 33.072 31.823 -0.216 0.000 0.992 302 V HN 0.699 nan 8.190 nan 0.000 0.428 303 F N 3.180 122.999 119.950 -0.219 0.000 2.445 303 F HA 0.394 4.923 4.527 0.002 0.000 0.348 303 F C 0.377 175.924 175.800 -0.422 0.000 1.125 303 F CA -0.437 57.345 58.000 -0.363 0.000 0.983 303 F CB 1.030 39.859 39.000 -0.285 0.000 1.198 303 F HN 0.526 nan 8.300 nan 0.000 0.436 304 H N 2.602 121.360 119.070 -0.521 0.000 2.818 304 H HA 0.180 4.734 4.556 -0.003 0.000 0.269 304 H C 0.182 175.296 175.328 -0.356 0.000 1.277 304 H CA 0.062 55.889 56.048 -0.369 0.000 1.290 304 H CB 1.101 30.668 29.762 -0.326 0.000 1.479 304 H HN 0.649 nan 8.280 nan 0.000 0.507 305 S N 3.066 118.493 115.700 -0.455 0.000 2.539 305 S HA 0.245 4.715 4.470 -0.001 0.000 0.221 305 S C 0.680 175.167 174.600 -0.188 0.000 0.987 305 S CA -0.048 58.053 58.200 -0.165 0.000 0.929 305 S CB -0.004 63.204 63.200 0.014 0.000 0.832 305 S HN 0.738 nan 8.310 nan 0.000 0.492 306 A N 0.950 123.548 122.820 -0.369 0.000 2.540 306 A HA 0.569 4.888 4.320 -0.001 0.000 0.239 306 A C 0.667 178.150 177.584 -0.169 0.000 1.061 306 A CA 0.621 52.534 52.037 -0.206 0.000 0.758 306 A CB -0.418 18.516 19.000 -0.109 0.000 0.991 306 A HN 0.731 nan 8.150 nan 0.000 0.502 307 G N -0.057 108.723 108.800 -0.033 0.000 2.429 307 G HA2 0.604 4.563 3.960 -0.001 0.000 0.300 307 G HA3 0.604 4.563 3.960 -0.001 0.000 0.300 307 G C -1.007 173.929 174.900 0.061 0.000 1.598 307 G CA 0.080 45.205 45.100 0.041 0.000 0.863 307 G HN 2.068 nan 8.290 nan 0.000 0.614 308 V N -1.145 118.804 119.914 0.057 0.000 2.914 308 V HA 0.952 5.071 4.120 -0.001 0.000 0.314 308 V C 0.621 176.678 176.094 -0.063 0.000 1.084 308 V CA 0.010 62.289 62.300 -0.036 0.000 0.963 308 V CB 1.629 33.315 31.823 -0.228 0.000 1.025 308 V HN 2.049 nan 8.190 nan 0.000 0.432 309 A N 1.296 123.974 122.820 -0.237 0.000 2.324 309 A HA 0.322 4.641 4.320 -0.001 0.000 0.220 309 A C 0.907 178.303 177.584 -0.313 0.000 1.209 309 A CA 0.304 52.024 52.037 -0.529 0.000 0.918 309 A CB -0.434 18.044 19.000 -0.870 0.000 0.959 309 A HN 1.155 nan 8.150 nan 0.000 0.507 310 H N -1.139 117.855 119.070 -0.126 0.000 2.597 310 H HA 0.360 4.916 4.556 -0.001 0.000 0.370 310 H C -0.484 174.815 175.328 -0.049 0.000 1.281 310 H CA 0.670 56.668 56.048 -0.084 0.000 1.422 310 H CB 0.317 30.043 29.762 -0.060 0.000 1.524 310 H HN 0.147 nan 8.280 nan 0.000 0.607 311 D N -0.484 119.993 120.400 0.128 0.000 2.800 311 D HA -0.161 4.478 4.640 -0.001 0.000 0.232 311 D C -0.645 175.656 176.300 0.001 0.000 1.137 311 D CA 1.099 55.144 54.000 0.075 0.000 0.718 311 D CB -0.538 40.345 40.800 0.139 0.000 1.084 311 D HN 0.571 nan 8.370 nan 0.000 0.432 312 D N -0.731 119.662 120.400 -0.011 0.000 2.466 312 D HA 0.828 5.467 4.640 -0.001 0.000 0.262 312 D C -0.113 176.185 176.300 -0.004 0.000 1.177 312 D CA 0.282 54.277 54.000 -0.008 0.000 1.035 312 D CB 1.317 42.112 40.800 -0.007 0.000 1.105 312 D HN 0.167 nan 8.370 nan 0.000 0.551 313 A N 0.501 123.319 122.820 -0.003 0.000 2.608 313 A HA 0.572 4.892 4.320 -0.001 0.000 0.292 313 A C -2.804 174.776 177.584 -0.006 0.000 1.066 313 A CA -1.147 50.887 52.037 -0.006 0.000 0.676 313 A CB 1.138 20.133 19.000 -0.008 0.000 1.277 313 A HN 0.326 nan 8.150 nan 0.000 0.413 314 P HA 0.122 nan 4.420 nan 0.000 0.267 314 P C 1.246 178.553 177.300 0.011 0.000 1.195 314 P CA -0.046 63.048 63.100 -0.010 0.000 0.773 314 P CB 0.448 32.141 31.700 -0.011 0.000 0.837 315 V N 2.477 122.406 119.914 0.026 0.000 2.317 315 V HA -0.341 3.778 4.120 -0.001 0.000 0.251 315 V C 2.311 178.444 176.094 0.065 0.000 1.065 315 V CA 2.782 65.113 62.300 0.052 0.000 1.049 315 V CB -1.673 30.208 31.823 0.095 0.000 0.651 315 V HN 0.720 nan 8.190 nan 0.000 0.450 316 A N -0.871 122.020 122.820 0.119 0.000 2.125 316 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 316 A C 1.756 179.353 177.584 0.022 0.000 1.156 316 A CA 2.020 54.100 52.037 0.071 0.000 0.671 316 A CB -0.320 18.749 19.000 0.114 0.000 0.794 316 A HN 0.640 nan 8.150 nan 0.000 0.459 317 D N -2.054 118.354 120.400 0.014 0.000 2.473 317 D HA 0.143 4.782 4.640 -0.001 0.000 0.242 317 D C 0.287 176.577 176.300 -0.017 0.000 1.106 317 D CA -0.375 53.623 54.000 -0.004 0.000 0.854 317 D CB -0.235 40.564 40.800 -0.002 0.000 1.192 317 D HN 0.308 nan 8.370 nan 0.000 0.503 318 L N 2.803 124.016 121.223 -0.016 0.000 2.601 318 L HA 0.070 4.409 4.340 -0.001 0.000 0.277 318 L C 0.683 177.521 176.870 -0.054 0.000 1.219 318 L CA 0.551 55.373 54.840 -0.030 0.000 0.915 318 L CB 0.250 42.295 42.059 -0.023 0.000 1.160 318 L HN 0.045 nan 8.230 nan 0.000 0.494 319 T N 2.068 116.582 114.554 -0.067 0.000 2.881 319 T HA 0.330 4.680 4.350 -0.001 0.000 0.278 319 T C 1.428 176.028 174.700 -0.167 0.000 0.982 319 T CA -0.754 61.283 62.100 -0.105 0.000 0.989 319 T CB 0.725 69.541 68.868 -0.086 0.000 1.058 319 T HN 0.573 nan 8.240 nan 0.000 0.529 320 L N 0.847 121.905 121.223 -0.275 0.000 2.093 320 L HA 0.110 4.449 4.340 -0.001 0.000 0.208 320 L C 2.973 179.496 176.870 -0.579 0.000 1.085 320 L CA 1.448 55.976 54.840 -0.520 0.000 0.755 320 L CB -1.042 40.502 42.059 -0.857 0.000 0.904 320 L HN 1.001 nan 8.230 nan 0.000 0.435 321 G N -0.823 107.769 108.800 -0.348 0.000 2.408 321 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 321 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 321 G C 1.510 176.364 174.900 -0.076 0.000 1.150 321 G CA 0.234 45.264 45.100 -0.116 0.000 0.776 321 G HN 0.372 nan 8.290 nan 0.000 0.542 322 Q N -0.749 119.002 119.800 -0.081 0.000 2.050 322 Q HA -0.041 4.298 4.340 -0.001 0.000 0.202 322 Q C 2.481 178.446 176.000 -0.059 0.000 0.980 322 Q CA 1.008 56.780 55.803 -0.051 0.000 0.840 322 Q CB -0.275 28.438 28.738 -0.041 0.000 0.898 322 Q HN 0.403 nan 8.270 nan 0.000 0.424 323 L N 1.315 122.483 121.223 -0.092 0.000 2.046 323 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 323 L C 1.649 178.481 176.870 -0.063 0.000 1.077 323 L CA 2.121 56.917 54.840 -0.074 0.000 0.747 323 L CB -0.638 41.355 42.059 -0.112 0.000 0.896 323 L HN 0.163 nan 8.230 nan 0.000 0.432 324 D N -0.924 119.423 120.400 -0.087 0.000 2.117 324 D HA -0.180 4.459 4.640 -0.001 0.000 0.197 324 D C 2.115 178.412 176.300 -0.005 0.000 0.987 324 D CA 1.399 55.384 54.000 -0.025 0.000 0.829 324 D CB 0.013 40.839 40.800 0.043 0.000 0.961 324 D HN 0.451 nan 8.370 nan 0.000 0.460 325 A N -0.370 122.445 122.820 -0.008 0.000 1.969 325 A HA -0.029 4.290 4.320 -0.001 0.000 0.218 325 A C 2.204 179.776 177.584 -0.019 0.000 1.169 325 A CA 0.736 52.770 52.037 -0.005 0.000 0.635 325 A CB -0.577 18.420 19.000 -0.006 0.000 0.810 325 A HN 0.331 nan 8.150 nan 0.000 0.445 326 L N -1.047 120.165 121.223 -0.019 0.000 2.156 326 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 326 L C 2.551 179.436 176.870 0.026 0.000 1.095 326 L CA 0.670 55.515 54.840 0.009 0.000 0.770 326 L CB -0.322 41.761 42.059 0.041 0.000 0.914 326 L HN 0.289 nan 8.230 nan 0.000 0.439 327 M N -0.815 118.787 119.600 0.002 0.000 2.319 327 M HA -0.122 4.358 4.480 -0.001 0.000 0.265 327 M C 2.280 178.566 176.300 -0.023 0.000 1.068 327 M CA 1.263 56.554 55.300 -0.016 0.000 1.118 327 M CB -1.035 31.541 32.600 -0.041 0.000 1.395 327 M HN 0.207 nan 8.290 nan 0.000 0.435 328 R N 0.647 121.143 120.500 -0.007 0.000 2.080 328 R HA -0.116 4.223 4.340 -0.001 0.000 0.236 328 R C 1.968 178.278 176.300 0.017 0.000 1.137 328 R CA 1.959 58.057 56.100 -0.003 0.000 0.943 328 R CB -0.186 30.124 30.300 0.017 0.000 0.846 328 R HN 0.308 nan 8.270 nan 0.000 0.431 329 A N 0.221 123.072 122.820 0.051 0.000 2.209 329 A HA -0.021 4.299 4.320 -0.001 0.000 0.212 329 A C 1.494 179.198 177.584 0.200 0.000 1.158 329 A CA 0.773 52.876 52.037 0.109 0.000 0.742 329 A CB -0.013 19.037 19.000 0.084 0.000 0.790 329 A HN 0.209 nan 8.150 nan 0.000 0.472 330 K N -0.871 119.606 120.400 0.129 0.000 2.230 330 K HA 0.220 4.539 4.320 -0.001 0.000 0.219 330 K C 1.917 178.570 176.600 0.088 0.000 1.033 330 K CA 0.565 56.959 56.287 0.177 0.000 0.937 330 K CB -1.012 31.552 32.500 0.108 0.000 1.018 330 K HN 0.386 nan 8.250 nan 0.000 0.463 331 L N 1.728 122.869 121.223 -0.137 0.000 1.988 331 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 331 L C 2.282 178.927 176.870 -0.376 0.000 1.071 331 L CA 1.736 56.227 54.840 -0.581 0.000 0.744 331 L CB -0.547 41.106 42.059 -0.677 0.000 0.893 331 L HN 0.204 nan 8.230 nan 0.000 0.433 332 T N 0.054 114.447 114.554 -0.268 0.000 2.674 332 T HA -0.156 4.193 4.350 -0.001 0.000 0.265 332 T C 1.853 176.291 174.700 -0.437 0.000 1.039 332 T CA 1.399 63.295 62.100 -0.339 0.000 1.150 332 T CB -0.455 68.284 68.868 -0.214 0.000 0.864 332 T HN 0.552 nan 8.240 nan 0.000 0.427 333 A N 1.305 124.016 122.820 -0.182 0.000 1.898 333 A HA 0.245 4.564 4.320 -0.001 0.000 0.216 333 A C 2.615 180.086 177.584 -0.187 0.000 1.181 333 A CA 1.721 53.698 52.037 -0.100 0.000 0.620 333 A CB -1.041 18.004 19.000 0.075 0.000 0.819 333 A HN 0.499 nan 8.150 nan 0.000 0.442 334 A N -0.396 122.312 122.820 -0.187 0.000 1.930 334 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 334 A C 2.222 179.882 177.584 0.127 0.000 1.175 334 A CA 1.533 53.503 52.037 -0.112 0.000 0.627 334 A CB -0.498 18.541 19.000 0.065 0.000 0.815 334 A HN 0.546 nan 8.150 nan 0.000 0.443 335 R N -0.781 119.772 120.500 0.087 0.000 2.083 335 R HA -0.224 4.116 4.340 -0.001 0.000 0.237 335 R C 1.996 178.407 176.300 0.184 0.000 1.137 335 R CA 2.155 58.339 56.100 0.139 0.000 0.951 335 R CB -0.534 29.761 30.300 -0.009 0.000 0.851 335 R HN 0.792 nan 8.270 nan 0.000 0.434 336 H N -0.122 119.003 119.070 0.093 0.000 2.321 336 H HA -0.121 4.434 4.556 -0.001 0.000 0.300 336 H C 2.262 177.638 175.328 0.079 0.000 1.087 336 H CA 1.559 57.645 56.048 0.063 0.000 1.319 336 H CB -0.053 29.729 29.762 0.033 0.000 1.379 336 H HN 0.172 nan 8.280 nan 0.000 0.501 337 L N -0.245 121.109 121.223 0.219 0.000 2.079 337 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 337 L C 2.616 179.690 176.870 0.340 0.000 1.081 337 L CA 1.515 56.498 54.840 0.238 0.000 0.752 337 L CB -0.428 41.715 42.059 0.141 0.000 0.896 337 L HN 0.385 nan 8.230 nan 0.000 0.433 338 H N 0.362 119.586 119.070 0.256 0.000 2.321 338 H HA -0.161 4.395 4.556 -0.001 0.000 0.300 338 H C 2.108 177.424 175.328 -0.021 0.000 1.087 338 H CA 2.000 58.047 56.048 -0.002 0.000 1.319 338 H CB 0.060 29.830 29.762 0.014 0.000 1.379 338 H HN 0.311 nan 8.280 nan 0.000 0.501 339 E N 0.061 120.171 120.200 -0.151 0.000 2.077 339 E HA -0.107 4.242 4.350 -0.001 0.000 0.193 339 E C 2.161 178.677 176.600 -0.140 0.000 0.989 339 E CA 1.191 57.474 56.400 -0.195 0.000 0.800 339 E CB 0.016 29.727 29.700 0.018 0.000 0.746 339 E HN 0.485 nan 8.360 nan 0.000 0.452 340 L N 0.587 121.785 121.223 -0.041 0.000 2.492 340 L HA -0.007 4.332 4.340 -0.001 0.000 0.223 340 L C 2.196 179.045 176.870 -0.035 0.000 1.132 340 L CA 1.065 55.889 54.840 -0.026 0.000 0.850 340 L CB -0.176 41.890 42.059 0.012 0.000 0.966 340 L HN 0.262 nan 8.230 nan 0.000 0.454 341 T N -5.167 109.352 114.554 -0.058 0.000 3.044 341 T HA 0.245 4.594 4.350 -0.001 0.000 0.260 341 T C 1.703 176.320 174.700 -0.139 0.000 1.019 341 T CA 0.429 62.499 62.100 -0.051 0.000 0.921 341 T CB 0.520 69.422 68.868 0.056 0.000 1.053 341 T HN 0.128 nan 8.240 nan 0.000 0.533 342 A N 2.469 125.143 122.820 -0.242 0.000 2.024 342 A HA -0.074 4.245 4.320 -0.001 0.000 0.220 342 A C 1.900 179.397 177.584 -0.145 0.000 1.164 342 A CA 1.553 53.429 52.037 -0.268 0.000 0.643 342 A CB -0.471 18.298 19.000 -0.385 0.000 0.806 342 A HN 0.623 nan 8.150 nan 0.000 0.451 343 D N -0.840 119.498 120.400 -0.103 0.000 2.349 343 D HA 0.124 4.764 4.640 -0.001 0.000 0.214 343 D C 0.559 176.834 176.300 -0.042 0.000 1.063 343 D CA 0.126 54.089 54.000 -0.062 0.000 0.847 343 D CB 0.286 41.058 40.800 -0.047 0.000 0.933 343 D HN 0.316 nan 8.370 nan 0.000 0.513 344 L N 0.607 121.806 121.223 -0.040 0.000 2.591 344 L HA 0.046 4.385 4.340 -0.001 0.000 0.228 344 L C 0.288 177.154 176.870 -0.007 0.000 1.133 344 L CA 0.168 54.998 54.840 -0.015 0.000 0.880 344 L CB -0.702 41.355 42.059 -0.003 0.000 1.033 344 L HN -0.136 nan 8.230 nan 0.000 0.450 345 D N 0.511 120.900 120.400 -0.018 0.000 2.697 345 D HA -0.239 4.401 4.640 -0.001 0.000 0.238 345 D C 0.055 176.362 176.300 0.012 0.000 1.152 345 D CA 0.423 54.420 54.000 -0.006 0.000 0.666 345 D CB -0.792 40.011 40.800 0.005 0.000 1.037 345 D HN 0.148 nan 8.370 nan 0.000 0.423 346 L N 0.478 121.707 121.223 0.011 0.000 2.467 346 L HA 0.087 4.426 4.340 -0.001 0.000 0.270 346 L C 1.724 178.617 176.870 0.039 0.000 1.205 346 L CA -0.419 54.441 54.840 0.033 0.000 0.828 346 L CB 0.398 42.497 42.059 0.065 0.000 1.101 346 L HN 0.014 nan 8.230 nan 0.000 0.479 347 D N 0.930 121.359 120.400 0.049 0.000 2.194 347 D HA 0.103 4.743 4.640 -0.001 0.000 0.204 347 D C 0.315 176.644 176.300 0.049 0.000 0.964 347 D CA 0.800 54.837 54.000 0.062 0.000 0.846 347 D CB 0.337 41.195 40.800 0.097 0.000 0.962 347 D HN 0.530 nan 8.370 nan 0.000 0.490 348 A N -0.282 122.556 122.820 0.030 0.000 2.547 348 A HA 0.572 4.892 4.320 -0.001 0.000 0.297 348 A C -1.880 175.695 177.584 -0.014 0.000 1.056 348 A CA -0.650 51.371 52.037 -0.028 0.000 0.688 348 A CB 1.248 20.180 19.000 -0.114 0.000 1.282 348 A HN 0.019 nan 8.150 nan 0.000 0.400 349 F N 2.763 122.591 119.950 -0.204 0.000 2.771 349 F HA 0.551 5.075 4.527 -0.005 0.000 0.365 349 F C -1.321 174.345 175.800 -0.223 0.000 1.169 349 F CA -0.381 57.502 58.000 -0.195 0.000 1.093 349 F CB 1.513 40.460 39.000 -0.088 0.000 1.363 349 F HN 0.369 nan 8.300 nan 0.000 0.496 350 V N 6.911 126.495 119.914 -0.551 0.000 2.357 350 V HA 0.427 4.546 4.120 -0.001 0.000 0.284 350 V C -0.197 175.670 176.094 -0.379 0.000 1.018 350 V CA -0.659 61.395 62.300 -0.408 0.000 0.841 350 V CB 1.532 33.002 31.823 -0.588 0.000 0.991 350 V HN 0.549 nan 8.190 nan 0.000 0.437 351 L N 4.994 126.135 121.223 -0.138 0.000 2.307 351 L HA 0.574 4.913 4.340 -0.001 0.000 0.284 351 L C -0.855 176.139 176.870 0.207 0.000 1.023 351 L CA -0.422 54.399 54.840 -0.032 0.000 0.810 351 L CB 1.366 43.444 42.059 0.032 0.000 1.231 351 L HN 0.410 nan 8.230 nan 0.000 0.423 352 F N 1.889 121.880 119.950 0.069 0.000 2.350 352 F HA 0.335 4.859 4.527 -0.005 0.000 0.365 352 F C 0.803 176.653 175.800 0.084 0.000 1.122 352 F CA -0.406 57.662 58.000 0.113 0.000 1.139 352 F CB 1.097 40.279 39.000 0.305 0.000 1.220 352 F HN 0.452 nan 8.300 nan 0.000 0.499 353 S N 2.291 118.102 115.700 0.185 0.000 2.521 353 S HA 0.755 5.225 4.470 -0.001 0.000 0.278 353 S C -0.158 174.505 174.600 0.106 0.000 1.140 353 S CA -0.201 58.049 58.200 0.083 0.000 1.028 353 S CB 1.362 64.580 63.200 0.029 0.000 1.203 353 S HN 0.580 nan 8.310 nan 0.000 0.491 354 S N -2.098 113.638 115.700 0.060 0.000 2.570 354 S HA 0.542 5.012 4.470 -0.001 0.000 0.270 354 S C 0.735 175.431 174.600 0.160 0.000 1.149 354 S CA 0.006 58.299 58.200 0.154 0.000 0.837 354 S CB 0.771 64.021 63.200 0.084 0.000 1.124 354 S HN 0.958 nan 8.310 nan 0.000 0.465 355 G N 1.404 110.341 108.800 0.228 0.000 2.470 355 G HA2 0.044 4.003 3.960 -0.001 0.000 0.220 355 G HA3 0.044 4.003 3.960 -0.001 0.000 0.220 355 G C 1.473 176.564 174.900 0.319 0.000 1.121 355 G CA 1.010 46.290 45.100 0.300 0.000 0.766 355 G HN 1.101 nan 8.290 nan 0.000 0.553 356 A N 1.059 124.031 122.820 0.253 0.000 1.940 356 A HA 0.243 4.562 4.320 -0.001 0.000 0.219 356 A C 2.742 180.445 177.584 0.198 0.000 1.176 356 A CA 2.173 54.361 52.037 0.251 0.000 0.631 356 A CB -0.557 18.634 19.000 0.317 0.000 0.814 356 A HN 0.704 nan 8.150 nan 0.000 0.446 357 A N -1.026 121.868 122.820 0.124 0.000 1.970 357 A HA 0.175 4.494 4.320 -0.001 0.000 0.216 357 A C 2.132 179.786 177.584 0.118 0.000 1.170 357 A CA 1.450 53.547 52.037 0.101 0.000 0.645 357 A CB -0.478 18.546 19.000 0.041 0.000 0.816 357 A HN 0.331 nan 8.150 nan 0.000 0.447 358 V N -1.740 118.241 119.914 0.110 0.000 2.535 358 V HA -0.081 4.038 4.120 -0.001 0.000 0.246 358 V C 2.071 178.111 176.094 -0.090 0.000 1.045 358 V CA 1.577 63.865 62.300 -0.021 0.000 1.058 358 V CB -0.685 31.069 31.823 -0.114 0.000 0.689 358 V HN 0.579 nan 8.190 nan 0.000 0.461 359 F N 0.209 120.211 119.950 0.087 0.000 2.437 359 F HA 0.527 5.056 4.527 0.004 0.000 0.288 359 F C 1.437 177.421 175.800 0.307 0.000 1.085 359 F CA 0.877 58.974 58.000 0.162 0.000 1.430 359 F CB -0.093 38.963 39.000 0.094 0.000 1.120 359 F HN 0.256 nan 8.300 nan 0.000 0.556 360 G N 0.622 109.665 108.800 0.404 0.000 2.777 360 G HA2 0.080 4.039 3.960 -0.001 0.000 0.686 360 G HA3 0.080 4.039 3.960 -0.001 0.000 0.686 360 G C -0.738 174.363 174.900 0.335 0.000 1.177 360 G CA -0.388 44.892 45.100 0.299 0.000 0.775 360 G HN 0.353 nan 8.290 nan 0.000 0.613 361 S N 0.481 116.300 115.700 0.197 0.000 2.668 361 S HA 0.736 5.205 4.470 -0.001 0.000 0.277 361 S C 0.654 175.291 174.600 0.062 0.000 1.170 361 S CA 0.661 58.955 58.200 0.156 0.000 0.994 361 S CB 1.022 64.325 63.200 0.171 0.000 1.051 361 S HN 2.245 nan 8.310 nan 0.000 0.484 362 G N 1.906 110.711 108.800 0.008 0.000 2.321 362 G HA2 0.413 4.372 3.960 -0.001 0.000 0.237 362 G HA3 0.413 4.372 3.960 -0.001 0.000 0.237 362 G C 1.242 176.129 174.900 -0.022 0.000 1.282 362 G CA 0.493 45.566 45.100 -0.045 0.000 0.886 362 G HN 1.970 nan 8.290 nan 0.000 0.528 363 G N 1.177 109.957 108.800 -0.033 0.000 2.176 363 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.253 363 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.253 363 G C 0.589 175.493 174.900 0.007 0.000 0.979 363 G CA 0.576 45.665 45.100 -0.019 0.000 0.641 363 G HN 0.864 nan 8.290 nan 0.000 0.530 364 Q N -0.055 119.766 119.800 0.034 0.000 2.318 364 Q HA 0.191 4.530 4.340 -0.001 0.000 0.371 364 Q C -1.551 174.511 176.000 0.104 0.000 0.896 364 Q CA -1.118 54.737 55.803 0.087 0.000 1.134 364 Q CB 1.619 30.451 28.738 0.157 0.000 1.329 364 Q HN 0.426 nan 8.270 nan 0.000 0.413 365 P HA -0.188 nan 4.420 nan 0.000 0.216 365 P C 1.327 178.666 177.300 0.064 0.000 1.153 365 P CA 1.601 64.724 63.100 0.038 0.000 0.848 365 P CB 0.186 31.888 31.700 0.003 0.000 0.787 366 G N -0.978 107.865 108.800 0.071 0.000 2.404 366 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.215 366 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.215 366 G C 1.658 176.637 174.900 0.131 0.000 1.174 366 G CA 0.494 45.638 45.100 0.073 0.000 0.780 366 G HN 0.186 nan 8.290 nan 0.000 0.537 367 Y N 2.038 122.347 120.300 0.015 0.000 2.242 367 Y HA 0.076 4.627 4.550 0.001 0.000 0.291 367 Y C 2.888 178.828 175.900 0.066 0.000 1.137 367 Y CA 1.015 59.135 58.100 0.034 0.000 1.181 367 Y CB -0.312 38.166 38.460 0.029 0.000 0.989 367 Y HN 0.248 nan 8.280 nan 0.000 0.527 368 A N 0.188 123.076 122.820 0.113 0.000 1.898 368 A HA -0.088 4.231 4.320 -0.001 0.000 0.216 368 A C 2.435 180.048 177.584 0.048 0.000 1.181 368 A CA 1.828 53.898 52.037 0.055 0.000 0.620 368 A CB -1.433 17.627 19.000 0.101 0.000 0.819 368 A HN 0.538 nan 8.150 nan 0.000 0.442 369 A N -0.113 122.748 122.820 0.068 0.000 1.902 369 A HA 0.169 4.488 4.320 -0.001 0.000 0.217 369 A C 2.513 180.150 177.584 0.090 0.000 1.181 369 A CA 2.091 54.182 52.037 0.090 0.000 0.623 369 A CB -1.040 18.008 19.000 0.081 0.000 0.818 369 A HN 1.054 nan 8.150 nan 0.000 0.443 370 A N 0.094 122.942 122.820 0.048 0.000 1.902 370 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 370 A C 1.956 179.576 177.584 0.059 0.000 1.181 370 A CA 1.701 53.766 52.037 0.047 0.000 0.623 370 A CB -0.570 18.441 19.000 0.018 0.000 0.818 370 A HN 0.578 nan 8.150 nan 0.000 0.443 371 N N -0.094 118.573 118.700 -0.056 0.000 2.354 371 N HA 0.008 4.747 4.740 -0.001 0.000 0.179 371 N C 1.811 177.340 175.510 0.031 0.000 1.021 371 N CA 1.077 54.094 53.050 -0.054 0.000 0.887 371 N CB -0.235 38.121 38.487 -0.219 0.000 0.974 371 N HN 0.468 nan 8.380 nan 0.000 0.437 372 A N 0.279 123.138 122.820 0.064 0.000 2.015 372 A HA -0.157 4.163 4.320 -0.001 0.000 0.219 372 A C 1.993 179.631 177.584 0.090 0.000 1.163 372 A CA 0.687 52.777 52.037 0.090 0.000 0.646 372 A CB -0.700 18.389 19.000 0.148 0.000 0.806 372 A HN 0.390 nan 8.150 nan 0.000 0.448 373 Y N 0.715 121.035 120.300 0.034 0.000 2.181 373 Y HA -0.174 4.379 4.550 0.005 0.000 0.288 373 Y C 1.873 177.785 175.900 0.020 0.000 1.146 373 Y CA 1.772 59.887 58.100 0.025 0.000 1.164 373 Y CB -0.283 38.190 38.460 0.021 0.000 0.982 373 Y HN 0.231 nan 8.280 nan 0.000 0.515 374 L N -0.110 121.144 121.223 0.051 0.000 2.012 374 L HA -0.277 4.063 4.340 -0.001 0.000 0.210 374 L C 2.241 179.064 176.870 -0.079 0.000 1.073 374 L CA 1.736 56.576 54.840 -0.000 0.000 0.748 374 L CB -0.743 41.380 42.059 0.107 0.000 0.891 374 L HN 0.236 nan 8.230 nan 0.000 0.431 375 D N 0.263 120.635 120.400 -0.047 0.000 2.104 375 D HA -0.189 4.451 4.640 -0.001 0.000 0.194 375 D C 2.208 178.450 176.300 -0.097 0.000 0.994 375 D CA 1.672 55.644 54.000 -0.047 0.000 0.830 375 D CB -0.034 40.753 40.800 -0.021 0.000 0.959 375 D HN 0.359 nan 8.370 nan 0.000 0.452 376 A N 0.964 123.691 122.820 -0.156 0.000 1.933 376 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 376 A C 2.190 179.631 177.584 -0.240 0.000 1.175 376 A CA 0.940 52.858 52.037 -0.199 0.000 0.628 376 A CB -0.656 18.214 19.000 -0.218 0.000 0.814 376 A HN 0.226 nan 8.150 nan 0.000 0.444 377 L N -0.247 120.748 121.223 -0.381 0.000 2.083 377 L HA -0.042 4.298 4.340 -0.001 0.000 0.209 377 L C 2.612 179.402 176.870 -0.133 0.000 1.083 377 L CA 2.130 56.770 54.840 -0.333 0.000 0.752 377 L CB -0.755 41.039 42.059 -0.441 0.000 0.899 377 L HN 0.329 nan 8.230 nan 0.000 0.433 378 A N -0.942 121.834 122.820 -0.073 0.000 1.933 378 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 378 A C 2.161 179.720 177.584 -0.043 0.000 1.175 378 A CA 1.588 53.620 52.037 -0.008 0.000 0.628 378 A CB -0.505 18.506 19.000 0.018 0.000 0.814 378 A HN 0.533 nan 8.150 nan 0.000 0.444 379 E N -0.814 119.352 120.200 -0.058 0.000 2.072 379 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 379 E C 1.913 178.468 176.600 -0.075 0.000 0.985 379 E CA 1.096 57.458 56.400 -0.063 0.000 0.801 379 E CB -0.617 29.041 29.700 -0.071 0.000 0.750 379 E HN 0.838 nan 8.360 nan 0.000 0.452 380 H N 1.331 120.302 119.070 -0.165 0.000 2.319 380 H HA -0.077 4.480 4.556 0.001 0.000 0.297 380 H C 2.110 177.338 175.328 -0.166 0.000 1.097 380 H CA 1.653 57.596 56.048 -0.174 0.000 1.285 380 H CB 0.238 29.870 29.762 -0.217 0.000 1.368 380 H HN 0.026 nan 8.280 nan 0.000 0.495 381 R N -0.173 120.192 120.500 -0.225 0.000 2.092 381 R HA -0.060 4.279 4.340 -0.001 0.000 0.231 381 R C 2.636 178.820 176.300 -0.194 0.000 1.119 381 R CA 0.603 56.556 56.100 -0.244 0.000 0.970 381 R CB 0.079 30.254 30.300 -0.209 0.000 0.864 381 R HN 0.256 nan 8.270 nan 0.000 0.440 382 R N 0.358 120.771 120.500 -0.145 0.000 2.096 382 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 382 R C 2.357 178.576 176.300 -0.135 0.000 1.127 382 R CA 1.769 57.802 56.100 -0.111 0.000 0.968 382 R CB -0.745 29.509 30.300 -0.078 0.000 0.861 382 R HN 0.296 nan 8.270 nan 0.000 0.440 383 S N 0.763 116.352 115.700 -0.185 0.000 2.419 383 S HA -0.077 4.393 4.470 -0.001 0.000 0.235 383 S C 1.926 176.409 174.600 -0.194 0.000 1.019 383 S CA 0.881 58.968 58.200 -0.188 0.000 0.982 383 S CB -0.360 62.710 63.200 -0.215 0.000 0.789 383 S HN 0.295 nan 8.310 nan 0.000 0.490 384 L N 0.879 121.961 121.223 -0.235 0.000 2.591 384 L HA 0.330 4.669 4.340 -0.001 0.000 0.228 384 L C 1.898 178.703 176.870 -0.109 0.000 1.133 384 L CA 0.304 55.042 54.840 -0.171 0.000 0.880 384 L CB -0.768 41.188 42.059 -0.172 0.000 1.033 384 L HN 0.588 nan 8.230 nan 0.000 0.450 385 G N 0.437 109.176 108.800 -0.101 0.000 2.159 385 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.256 385 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.256 385 G C 0.156 175.016 174.900 -0.068 0.000 0.977 385 G CA -0.099 44.958 45.100 -0.072 0.000 0.652 385 G HN 0.239 nan 8.290 nan 0.000 0.531 386 L N 0.562 121.734 121.223 -0.085 0.000 2.343 386 L HA 0.597 4.937 4.340 -0.001 0.000 0.275 386 L C 1.196 178.023 176.870 -0.073 0.000 1.056 386 L CA -0.547 54.243 54.840 -0.085 0.000 0.804 386 L CB 1.530 43.520 42.059 -0.115 0.000 1.203 386 L HN 0.163 nan 8.230 nan 0.000 0.440 387 T N 1.487 116.012 114.554 -0.049 0.000 2.930 387 T HA 0.561 4.910 4.350 -0.001 0.000 0.306 387 T C -0.321 174.384 174.700 0.008 0.000 1.045 387 T CA -0.149 61.943 62.100 -0.013 0.000 1.134 387 T CB 0.385 69.261 68.868 0.013 0.000 0.961 387 T HN 0.763 nan 8.240 nan 0.000 0.545 388 A N 3.238 126.079 122.820 0.036 0.000 2.599 388 A HA 0.647 4.967 4.320 -0.001 0.000 0.294 388 A C -0.869 176.755 177.584 0.066 0.000 1.055 388 A CA -0.740 51.366 52.037 0.115 0.000 0.683 388 A CB 1.589 20.645 19.000 0.093 0.000 1.278 388 A HN 0.741 nan 8.150 nan 0.000 0.412 389 S N 0.233 115.976 115.700 0.072 0.000 2.548 389 S HA 0.791 5.260 4.470 -0.001 0.000 0.276 389 S C -0.618 173.997 174.600 0.025 0.000 1.129 389 S CA 0.024 58.238 58.200 0.024 0.000 0.931 389 S CB 1.725 64.924 63.200 -0.002 0.000 1.068 389 S HN 1.762 nan 8.310 nan 0.000 0.480 390 S N 1.440 117.148 115.700 0.013 0.000 2.532 390 S HA 0.787 5.256 4.470 -0.001 0.000 0.299 390 S C -0.985 173.589 174.600 -0.044 0.000 1.105 390 S CA -0.667 57.539 58.200 0.010 0.000 1.018 390 S CB 1.244 64.449 63.200 0.007 0.000 1.021 390 S HN 0.405 nan 8.310 nan 0.000 0.483 391 V N 2.349 122.207 119.914 -0.093 0.000 2.378 391 V HA 0.748 4.867 4.120 -0.001 0.000 0.288 391 V C 0.259 176.089 176.094 -0.440 0.000 1.016 391 V CA -0.716 61.363 62.300 -0.368 0.000 0.840 391 V CB 1.011 32.422 31.823 -0.687 0.000 0.994 391 V HN 1.151 nan 8.190 nan 0.000 0.431 392 A N 5.314 127.972 122.820 -0.270 0.000 2.478 392 A HA 0.567 4.886 4.320 -0.001 0.000 0.327 392 A C -0.580 177.001 177.584 -0.005 0.000 1.431 392 A CA -0.474 51.512 52.037 -0.085 0.000 1.014 392 A CB -0.047 18.955 19.000 0.003 0.000 1.143 392 A HN 0.833 nan 8.150 nan 0.000 0.532 393 W N 1.989 123.357 121.300 0.114 0.000 2.170 393 W HA 0.441 5.107 4.660 0.009 0.000 0.336 393 W C 1.168 177.777 176.519 0.151 0.000 1.283 393 W CA 0.273 57.713 57.345 0.159 0.000 1.224 393 W CB 1.015 30.601 29.460 0.210 0.000 1.132 393 W HN 0.838 nan 8.180 nan 0.000 0.571 394 G N 0.585 109.641 108.800 0.426 0.000 2.624 394 G HA2 0.248 4.207 3.960 -0.001 0.000 0.217 394 G HA3 0.248 4.207 3.960 -0.001 0.000 0.217 394 G C -0.659 174.404 174.900 0.272 0.000 1.506 394 G CA -0.555 44.677 45.100 0.219 0.000 1.072 394 G HN 0.309 nan 8.290 nan 0.000 0.568 395 T N 0.839 115.479 114.554 0.142 0.000 2.749 395 T HA 0.256 4.605 4.350 -0.001 0.000 0.295 395 T C -0.948 173.868 174.700 0.193 0.000 0.936 395 T CA 0.052 62.248 62.100 0.161 0.000 1.060 395 T CB 0.495 69.389 68.868 0.044 0.000 0.904 395 T HN 0.280 nan 8.240 nan 0.000 0.500 396 W N 2.247 123.509 121.300 -0.064 0.000 2.316 396 W HA 0.565 5.222 4.660 -0.004 0.000 0.321 396 W C 0.906 177.395 176.519 -0.050 0.000 1.203 396 W CA -0.455 56.824 57.345 -0.111 0.000 1.214 396 W CB 0.536 29.866 29.460 -0.217 0.000 1.169 396 W HN 0.800 nan 8.180 nan 0.000 0.561 397 G N 0.873 109.745 108.800 0.119 0.000 2.528 397 G HA2 0.413 4.372 3.960 -0.001 0.000 0.289 397 G HA3 0.413 4.372 3.960 -0.001 0.000 0.289 397 G C 0.115 175.066 174.900 0.086 0.000 1.192 397 G CA 0.029 45.175 45.100 0.077 0.000 0.921 397 G HN 0.702 nan 8.290 nan 0.000 0.512 398 E N -2.754 117.465 120.200 0.032 0.000 4.807 398 E HA -0.300 4.050 4.350 -0.001 0.000 0.171 398 E C 0.690 177.301 176.600 0.018 0.000 1.266 398 E CA 2.008 58.419 56.400 0.017 0.000 2.327 398 E CB -1.558 28.157 29.700 0.026 0.000 1.829 398 E HN 0.960 nan 8.360 nan 0.000 0.414 399 V N -2.616 117.331 119.914 0.055 0.000 2.914 399 V HA 0.873 4.993 4.120 -0.001 0.000 0.314 399 V C 0.344 176.411 176.094 -0.045 0.000 1.084 399 V CA 0.246 62.545 62.300 -0.001 0.000 0.963 399 V CB 1.747 33.566 31.823 -0.007 0.000 1.025 399 V HN 0.990 nan 8.190 nan 0.000 0.432 400 G N 3.213 111.956 108.800 -0.094 0.000 2.610 400 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.304 400 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.304 400 G C 0.156 175.005 174.900 -0.085 0.000 1.309 400 G CA 0.104 45.119 45.100 -0.142 0.000 0.906 400 G HN 2.093 nan 8.290 nan 0.000 0.521 401 M N -0.791 118.758 119.600 -0.085 0.000 2.686 401 M HA 0.479 4.958 4.480 -0.001 0.000 0.246 401 M C 1.889 178.178 176.300 -0.018 0.000 1.096 401 M CA 2.209 57.482 55.300 -0.045 0.000 1.076 401 M CB -0.038 32.537 32.600 -0.041 0.000 1.504 401 M HN 1.344 nan 8.290 nan 0.000 0.524 402 A N 0.825 123.652 122.820 0.012 0.000 2.303 402 A HA 0.154 4.473 4.320 -0.001 0.000 0.217 402 A C 1.166 178.781 177.584 0.052 0.000 1.205 402 A CA 0.289 52.377 52.037 0.086 0.000 0.875 402 A CB -0.333 18.765 19.000 0.163 0.000 0.910 402 A HN 0.549 nan 8.150 nan 0.000 0.501 403 T N 0.979 115.511 114.554 -0.038 0.000 3.176 403 T HA 0.452 4.801 4.350 -0.001 0.000 0.301 403 T C -0.745 173.854 174.700 -0.168 0.000 1.115 403 T CA 0.007 62.024 62.100 -0.138 0.000 1.027 403 T CB -0.355 68.463 68.868 -0.084 0.000 1.063 403 T HN 0.476 nan 8.240 nan 0.000 0.669 404 D N 2.330 122.569 120.400 -0.269 0.000 2.474 404 D HA 0.084 4.723 4.640 -0.001 0.000 0.199 404 D C -2.851 173.338 176.300 -0.185 0.000 1.151 404 D CA -1.100 52.792 54.000 -0.180 0.000 0.785 404 D CB 1.009 41.758 40.800 -0.086 0.000 2.567 404 D HN 0.087 nan 8.370 nan 0.000 0.491 405 P HA -0.236 nan 4.420 nan 0.000 0.216 405 P C 1.290 178.638 177.300 0.079 0.000 1.167 405 P CA 1.383 64.483 63.100 -0.000 0.000 0.914 405 P CB 0.227 31.924 31.700 -0.006 0.000 0.793 406 E N -1.143 119.075 120.200 0.030 0.000 2.592 406 E HA -0.244 4.105 4.350 -0.001 0.000 0.223 406 E C 1.395 178.021 176.600 0.044 0.000 0.839 406 E CA 2.420 58.836 56.400 0.028 0.000 1.008 406 E CB -1.184 28.520 29.700 0.007 0.000 1.096 406 E HN 0.151 nan 8.360 nan 0.000 0.512 407 V N -0.909 119.029 119.914 0.040 0.000 3.415 407 V HA 0.078 4.197 4.120 -0.001 0.000 0.325 407 V C 1.647 177.779 176.094 0.062 0.000 1.313 407 V CA 1.415 63.734 62.300 0.031 0.000 1.228 407 V CB -0.379 31.446 31.823 0.005 0.000 1.131 407 V HN 0.435 nan 8.190 nan 0.000 0.433 408 H N 0.278 119.337 119.070 -0.019 0.000 2.415 408 H HA 0.039 4.594 4.556 -0.001 0.000 0.297 408 H C 1.855 177.174 175.328 -0.015 0.000 1.048 408 H CA 1.709 57.748 56.048 -0.015 0.000 1.365 408 H CB 0.258 30.012 29.762 -0.015 0.000 1.421 408 H HN 0.325 nan 8.280 nan 0.000 0.533 409 D N 0.563 120.993 120.400 0.050 0.000 2.178 409 D HA -0.140 4.499 4.640 -0.001 0.000 0.202 409 D C 2.295 178.566 176.300 -0.048 0.000 0.974 409 D CA 1.279 55.272 54.000 -0.012 0.000 0.841 409 D CB -0.098 40.727 40.800 0.043 0.000 0.953 409 D HN 0.633 nan 8.370 nan 0.000 0.478 410 R N 0.503 120.984 120.500 -0.032 0.000 2.083 410 R HA -0.136 4.203 4.340 -0.001 0.000 0.237 410 R C 2.018 178.287 176.300 -0.052 0.000 1.137 410 R CA 1.002 57.080 56.100 -0.036 0.000 0.951 410 R CB -0.690 29.596 30.300 -0.024 0.000 0.851 410 R HN 0.050 nan 8.270 nan 0.000 0.434 411 L N 1.230 122.411 121.223 -0.070 0.000 1.994 411 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 411 L C 2.611 179.411 176.870 -0.116 0.000 1.071 411 L CA 1.141 55.932 54.840 -0.080 0.000 0.745 411 L CB -0.972 41.032 42.059 -0.091 0.000 0.892 411 L HN 0.100 nan 8.230 nan 0.000 0.431 412 V N -0.349 119.450 119.914 -0.192 0.000 2.255 412 V HA -0.312 3.807 4.120 -0.001 0.000 0.247 412 V C 2.721 178.754 176.094 -0.101 0.000 1.051 412 V CA 1.864 64.054 62.300 -0.184 0.000 1.018 412 V CB -0.597 31.071 31.823 -0.259 0.000 0.641 412 V HN 0.385 nan 8.190 nan 0.000 0.445 413 R N -0.228 120.225 120.500 -0.077 0.000 2.200 413 R HA -0.186 4.153 4.340 -0.001 0.000 0.234 413 R C 2.150 178.424 176.300 -0.043 0.000 1.127 413 R CA 1.504 57.574 56.100 -0.049 0.000 0.989 413 R CB -0.248 30.027 30.300 -0.040 0.000 0.869 413 R HN 0.594 nan 8.270 nan 0.000 0.459 414 Q N -1.911 117.864 119.800 -0.042 0.000 2.425 414 Q HA 0.152 4.491 4.340 -0.001 0.000 0.204 414 Q C 0.526 176.556 176.000 0.049 0.000 0.933 414 Q CA 0.547 56.337 55.803 -0.021 0.000 0.939 414 Q CB 0.910 29.640 28.738 -0.014 0.000 1.044 414 Q HN 0.578 nan 8.270 nan 0.000 0.513 415 G N -0.030 108.762 108.800 -0.012 0.000 2.159 415 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.227 415 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.227 415 G C -0.095 174.693 174.900 -0.186 0.000 0.986 415 G CA -0.000 45.066 45.100 -0.057 0.000 0.651 415 G HN 0.176 nan 8.290 nan 0.000 0.523 416 V N 2.578 122.387 119.914 -0.174 0.000 2.318 416 V HA 0.559 4.678 4.120 -0.001 0.000 0.271 416 V C 0.828 176.797 176.094 -0.208 0.000 1.030 416 V CA -0.494 61.637 62.300 -0.281 0.000 0.844 416 V CB 1.139 32.808 31.823 -0.257 0.000 1.015 416 V HN 0.323 nan 8.190 nan 0.000 0.460 417 L N 3.427 124.534 121.223 -0.194 0.000 2.375 417 L HA 0.714 5.053 4.340 -0.001 0.000 0.268 417 L C 0.820 177.627 176.870 -0.105 0.000 1.058 417 L CA -0.675 54.080 54.840 -0.142 0.000 0.803 417 L CB 1.393 43.382 42.059 -0.117 0.000 1.212 417 L HN 0.642 nan 8.230 nan 0.000 0.451 418 A N 3.151 125.930 122.820 -0.068 0.000 2.451 418 A HA 0.411 4.730 4.320 -0.001 0.000 0.266 418 A C 0.016 177.557 177.584 -0.073 0.000 1.119 418 A CA -0.267 51.760 52.037 -0.017 0.000 0.786 418 A CB -0.062 18.993 19.000 0.092 0.000 1.061 418 A HN 0.694 nan 8.150 nan 0.000 0.503 419 M N 2.349 121.874 119.600 -0.125 0.000 2.233 419 M HA 0.128 4.608 4.480 -0.001 0.000 0.350 419 M C 0.330 176.457 176.300 -0.288 0.000 1.176 419 M CA 0.367 55.533 55.300 -0.225 0.000 1.150 419 M CB 0.573 32.965 32.600 -0.346 0.000 1.530 419 M HN 0.664 nan 8.290 nan 0.000 0.459 420 E N 3.286 123.292 120.200 -0.323 0.000 2.344 420 E HA 0.032 4.381 4.350 -0.001 0.000 0.270 420 E C -1.838 174.534 176.600 -0.379 0.000 1.021 420 E CA -1.512 54.681 56.400 -0.344 0.000 0.887 420 E CB 0.378 29.762 29.700 -0.527 0.000 0.997 420 E HN 0.391 nan 8.360 nan 0.000 0.429 421 P HA -0.188 nan 4.420 nan 0.000 0.216 421 P C 0.929 178.065 177.300 -0.272 0.000 1.150 421 P CA 1.105 63.950 63.100 -0.424 0.000 0.837 421 P CB 0.295 31.977 31.700 -0.030 0.000 0.786 422 E N -1.459 118.683 120.200 -0.097 0.000 2.153 422 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 422 E C 1.858 178.508 176.600 0.083 0.000 0.988 422 E CA 1.222 57.634 56.400 0.020 0.000 0.811 422 E CB -0.607 29.138 29.700 0.075 0.000 0.746 422 E HN 0.463 nan 8.360 nan 0.000 0.466 423 H N 0.576 119.559 119.070 -0.144 0.000 2.357 423 H HA 0.045 4.600 4.556 -0.001 0.000 0.301 423 H C 2.017 177.271 175.328 -0.124 0.000 1.082 423 H CA 1.279 57.264 56.048 -0.106 0.000 1.342 423 H CB -0.516 29.192 29.762 -0.091 0.000 1.389 423 H HN 0.190 nan 8.280 nan 0.000 0.511 424 A N 0.717 123.430 122.820 -0.177 0.000 1.902 424 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 424 A C 2.460 180.072 177.584 0.046 0.000 1.181 424 A CA 1.339 53.242 52.037 -0.224 0.000 0.623 424 A CB -0.884 17.451 19.000 -1.108 0.000 0.818 424 A HN 0.334 nan 8.150 nan 0.000 0.443 425 L N -0.861 120.348 121.223 -0.025 0.000 2.093 425 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 425 L C 2.758 179.720 176.870 0.153 0.000 1.085 425 L CA 1.015 55.957 54.840 0.170 0.000 0.755 425 L CB -0.620 41.514 42.059 0.124 0.000 0.904 425 L HN 0.504 nan 8.230 nan 0.000 0.435 426 G N -0.749 108.100 108.800 0.083 0.000 2.421 426 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.217 426 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.217 426 G C 1.769 176.708 174.900 0.066 0.000 1.143 426 G CA 0.647 45.781 45.100 0.056 0.000 0.784 426 G HN 0.434 nan 8.290 nan 0.000 0.541 427 A N 0.543 123.412 122.820 0.081 0.000 1.933 427 A HA 0.079 4.399 4.320 -0.001 0.000 0.218 427 A C 2.307 179.956 177.584 0.108 0.000 1.175 427 A CA 1.576 53.664 52.037 0.084 0.000 0.628 427 A CB -0.368 18.690 19.000 0.097 0.000 0.814 427 A HN 0.437 nan 8.150 nan 0.000 0.444 428 L N 0.047 121.386 121.223 0.192 0.000 2.056 428 L HA -0.141 4.198 4.340 -0.001 0.000 0.207 428 L C 1.576 178.553 176.870 0.179 0.000 1.078 428 L CA 2.452 57.412 54.840 0.200 0.000 0.749 428 L CB -0.655 41.638 42.059 0.391 0.000 0.901 428 L HN 0.301 nan 8.230 nan 0.000 0.433 429 D N -0.596 119.907 120.400 0.172 0.000 2.149 429 D HA -0.217 4.423 4.640 -0.001 0.000 0.198 429 D C 2.186 178.541 176.300 0.092 0.000 0.990 429 D CA 1.328 55.410 54.000 0.136 0.000 0.839 429 D CB -0.108 40.759 40.800 0.111 0.000 0.948 429 D HN 0.550 nan 8.370 nan 0.000 0.460 430 Q N -0.219 119.621 119.800 0.066 0.000 2.096 430 Q HA -0.144 4.195 4.340 -0.001 0.000 0.204 430 Q C 2.236 178.255 176.000 0.032 0.000 0.982 430 Q CA 0.974 56.799 55.803 0.036 0.000 0.850 430 Q CB -0.152 28.597 28.738 0.018 0.000 0.901 430 Q HN 0.342 nan 8.270 nan 0.000 0.422 431 M N 0.479 120.104 119.600 0.041 0.000 2.086 431 M HA -0.169 4.310 4.480 -0.001 0.000 0.261 431 M C 1.857 178.181 176.300 0.041 0.000 1.067 431 M CA 1.459 56.774 55.300 0.025 0.000 1.116 431 M CB 0.052 32.662 32.600 0.016 0.000 1.348 431 M HN 0.207 nan 8.290 nan 0.000 0.407 432 L N -0.076 121.195 121.223 0.079 0.000 2.141 432 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 432 L C 2.446 179.358 176.870 0.069 0.000 1.094 432 L CA 0.862 55.756 54.840 0.090 0.000 0.763 432 L CB -0.766 41.384 42.059 0.152 0.000 0.908 432 L HN 0.301 nan 8.230 nan 0.000 0.437 433 E N 0.155 120.392 120.200 0.063 0.000 2.150 433 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 433 E C 1.663 178.279 176.600 0.027 0.000 0.985 433 E CA 0.815 57.242 56.400 0.045 0.000 0.814 433 E CB -0.228 29.497 29.700 0.040 0.000 0.752 433 E HN 0.480 nan 8.360 nan 0.000 0.466 434 N N 1.078 119.788 118.700 0.017 0.000 2.463 434 N HA -0.099 4.640 4.740 -0.001 0.000 0.181 434 N C -0.045 175.465 175.510 -0.000 0.000 1.078 434 N CA 0.550 53.600 53.050 -0.001 0.000 0.902 434 N CB -0.035 38.440 38.487 -0.020 0.000 0.970 434 N HN 0.063 nan 8.380 nan 0.000 0.451 435 D N 0.916 121.324 120.400 0.012 0.000 2.751 435 D HA -0.167 4.472 4.640 -0.001 0.000 0.233 435 D C -1.227 175.072 176.300 -0.002 0.000 1.149 435 D CA 0.511 54.517 54.000 0.011 0.000 0.682 435 D CB -0.959 39.848 40.800 0.012 0.000 1.068 435 D HN 0.159 nan 8.370 nan 0.000 0.429 436 D N -0.886 119.508 120.400 -0.009 0.000 2.399 436 D HA 0.107 4.746 4.640 -0.001 0.000 0.241 436 D C 1.388 177.684 176.300 -0.007 0.000 1.133 436 D CA 0.263 54.250 54.000 -0.022 0.000 0.890 436 D CB 1.022 41.798 40.800 -0.041 0.000 1.201 436 D HN 0.101 nan 8.370 nan 0.000 0.432 437 T N 0.159 114.712 114.554 -0.002 0.000 2.976 437 T HA 0.208 4.557 4.350 -0.001 0.000 0.257 437 T C 0.550 175.254 174.700 0.008 0.000 1.051 437 T CA 0.534 62.637 62.100 0.004 0.000 1.141 437 T CB 0.319 69.189 68.868 0.003 0.000 0.881 437 T HN 0.533 nan 8.240 nan 0.000 0.461 438 A N 0.254 123.085 122.820 0.017 0.000 2.486 438 A HA 0.876 5.195 4.320 -0.001 0.000 0.300 438 A C -1.146 176.456 177.584 0.030 0.000 1.048 438 A CA -0.534 51.514 52.037 0.019 0.000 0.696 438 A CB 1.530 20.547 19.000 0.030 0.000 1.278 438 A HN 0.422 nan 8.150 nan 0.000 0.405 439 A N 0.271 123.093 122.820 0.003 0.000 2.606 439 A HA 0.915 5.234 4.320 -0.001 0.000 0.293 439 A C -0.490 177.093 177.584 -0.001 0.000 1.082 439 A CA 0.031 52.084 52.037 0.027 0.000 0.685 439 A CB 1.072 20.068 19.000 -0.006 0.000 1.284 439 A HN 2.497 nan 8.150 nan 0.000 0.408 440 A N 0.849 123.712 122.820 0.072 0.000 2.317 440 A HA 0.779 5.099 4.320 -0.001 0.000 0.327 440 A C -0.712 176.972 177.584 0.166 0.000 1.178 440 A CA -0.355 51.734 52.037 0.088 0.000 0.817 440 A CB 0.299 19.367 19.000 0.114 0.000 1.189 440 A HN 0.762 nan 8.150 nan 0.000 0.489 441 I N 2.161 122.803 120.570 0.119 0.000 2.448 441 I HA 0.481 4.651 4.170 -0.001 0.000 0.281 441 I C -0.213 176.071 176.117 0.279 0.000 1.027 441 I CA -0.064 61.349 61.300 0.189 0.000 1.111 441 I CB 1.925 39.974 38.000 0.081 0.000 1.236 441 I HN 0.660 nan 8.210 nan 0.000 0.452 442 T N 6.231 120.942 114.554 0.261 0.000 3.012 442 T HA 0.430 4.779 4.350 -0.001 0.000 0.330 442 T C -1.831 172.938 174.700 0.115 0.000 1.321 442 T CA -0.436 61.749 62.100 0.142 0.000 1.067 442 T CB 1.673 70.552 68.868 0.019 0.000 1.235 442 T HN 0.321 nan 8.240 nan 0.000 0.479 443 L N 5.781 127.003 121.223 -0.002 0.000 2.257 443 L HA 0.732 5.071 4.340 -0.001 0.000 0.290 443 L C -0.862 175.897 176.870 -0.185 0.000 1.044 443 L CA -0.178 54.642 54.840 -0.033 0.000 0.810 443 L CB 0.655 42.691 42.059 -0.039 0.000 1.193 443 L HN 0.633 nan 8.230 nan 0.000 0.425 444 M N 3.821 123.268 119.600 -0.254 0.000 2.465 444 M HA 0.349 4.828 4.480 -0.001 0.000 0.316 444 M C -0.960 175.077 176.300 -0.440 0.000 1.121 444 M CA -0.576 54.359 55.300 -0.608 0.000 0.934 444 M CB 1.669 33.486 32.600 -1.304 0.000 1.692 444 M HN 0.486 nan 8.290 nan 0.000 0.444 445 D N 1.468 121.639 120.400 -0.382 0.000 2.454 445 D HA 0.215 4.854 4.640 -0.001 0.000 0.225 445 D C 0.183 176.394 176.300 -0.148 0.000 1.081 445 D CA -0.220 53.680 54.000 -0.167 0.000 0.864 445 D CB 0.560 41.314 40.800 -0.075 0.000 1.040 445 D HN 0.526 nan 8.370 nan 0.000 0.517 446 W N 2.310 123.646 121.300 0.060 0.000 2.425 446 W HA -0.046 4.612 4.660 -0.003 0.000 0.277 446 W C 2.045 178.628 176.519 0.108 0.000 1.231 446 W CA 0.094 57.497 57.345 0.097 0.000 1.248 446 W CB 0.160 29.676 29.460 0.094 0.000 1.117 446 W HN 0.447 nan 8.180 nan 0.000 0.568 447 E N -0.024 120.327 120.200 0.251 0.000 2.150 447 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 447 E C 1.996 178.671 176.600 0.125 0.000 0.985 447 E CA 1.452 57.954 56.400 0.169 0.000 0.814 447 E CB -0.243 29.526 29.700 0.114 0.000 0.752 447 E HN 0.252 nan 8.360 nan 0.000 0.466 448 M N -1.644 118.016 119.600 0.101 0.000 2.429 448 M HA 0.066 4.546 4.480 -0.001 0.000 0.265 448 M C 1.667 178.011 176.300 0.074 0.000 1.120 448 M CA 0.547 55.883 55.300 0.060 0.000 1.173 448 M CB -0.083 32.531 32.600 0.023 0.000 1.343 448 M HN 0.090 nan 8.290 nan 0.000 0.464 449 F N 1.408 121.316 119.950 -0.071 0.000 2.113 449 F HA -0.052 4.475 4.527 0.000 0.000 0.297 449 F C 2.426 178.267 175.800 0.067 0.000 1.103 449 F CA 1.546 59.483 58.000 -0.104 0.000 1.248 449 F CB -0.345 38.426 39.000 -0.381 0.000 0.999 449 F HN 0.046 nan 8.300 nan 0.000 0.475 450 A N 0.666 123.700 122.820 0.357 0.000 1.865 450 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 450 A C -0.210 177.460 177.584 0.142 0.000 1.191 450 A CA 2.045 54.281 52.037 0.331 0.000 0.623 450 A CB -2.194 17.036 19.000 0.383 0.000 0.826 450 A HN 0.355 nan 8.150 nan 0.000 0.444 451 P HA -0.069 nan 4.420 nan 0.000 0.216 451 P C 1.720 179.012 177.300 -0.013 0.000 1.153 451 P CA 1.840 64.966 63.100 0.043 0.000 0.848 451 P CB -0.126 31.597 31.700 0.039 0.000 0.787 452 A N -1.076 121.705 122.820 -0.065 0.000 1.902 452 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 452 A C 2.091 179.581 177.584 -0.157 0.000 1.181 452 A CA 1.404 53.367 52.037 -0.125 0.000 0.623 452 A CB -1.845 17.056 19.000 -0.165 0.000 0.818 452 A HN 0.171 nan 8.150 nan 0.000 0.443 453 F N 1.413 121.113 119.950 -0.417 0.000 2.456 453 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 453 F C 2.130 177.827 175.800 -0.172 0.000 1.104 453 F CA 1.896 59.647 58.000 -0.415 0.000 1.435 453 F CB 0.093 38.690 39.000 -0.671 0.000 1.078 453 F HN 0.275 nan 8.300 nan 0.000 0.546 454 T N -2.764 111.784 114.554 -0.009 0.000 3.134 454 T HA 0.444 4.793 4.350 -0.001 0.000 0.260 454 T C 1.687 176.359 174.700 -0.045 0.000 1.027 454 T CA 0.258 62.350 62.100 -0.013 0.000 0.913 454 T CB -0.036 68.888 68.868 0.093 0.000 1.046 454 T HN 0.133 nan 8.240 nan 0.000 0.553 455 A N 2.792 125.566 122.820 -0.077 0.000 1.930 455 A HA -0.015 4.304 4.320 -0.001 0.000 0.217 455 A C 2.253 179.802 177.584 -0.059 0.000 1.175 455 A CA 1.082 53.084 52.037 -0.058 0.000 0.627 455 A CB -0.390 18.570 19.000 -0.067 0.000 0.815 455 A HN 0.532 nan 8.150 nan 0.000 0.443 456 N N -1.328 117.320 118.700 -0.087 0.000 2.356 456 N HA 0.096 4.835 4.740 -0.001 0.000 0.178 456 N C 0.502 175.977 175.510 -0.057 0.000 1.075 456 N CA 0.346 53.353 53.050 -0.072 0.000 0.889 456 N CB 0.391 38.824 38.487 -0.090 0.000 0.999 456 N HN 0.458 nan 8.380 nan 0.000 0.464 457 R N 0.476 120.936 120.500 -0.066 0.000 2.594 457 R HA 0.266 4.606 4.340 -0.001 0.000 0.265 457 R C -2.912 173.373 176.300 -0.024 0.000 1.070 457 R CA -1.170 54.904 56.100 -0.043 0.000 0.909 457 R CB 2.288 32.550 30.300 -0.064 0.000 1.243 457 R HN -0.117 nan 8.270 nan 0.000 0.455 458 P HA 0.088 nan 4.420 nan 0.000 0.274 458 P C -1.051 176.293 177.300 0.073 0.000 1.237 458 P CA -0.348 62.779 63.100 0.045 0.000 0.793 458 P CB 1.320 33.049 31.700 0.048 0.000 0.977 459 S N 0.123 115.901 115.700 0.130 0.000 2.667 459 S HA 0.495 4.964 4.470 -0.001 0.000 0.304 459 S C 0.988 175.676 174.600 0.146 0.000 1.135 459 S CA -0.366 57.954 58.200 0.199 0.000 1.125 459 S CB -0.084 63.367 63.200 0.418 0.000 0.996 459 S HN 0.454 nan 8.310 nan 0.000 0.474 460 A N 4.711 127.595 122.820 0.106 0.000 2.066 460 A HA 0.062 4.382 4.320 -0.001 0.000 0.218 460 A C 1.856 179.458 177.584 0.029 0.000 1.157 460 A CA 0.840 52.914 52.037 0.061 0.000 0.670 460 A CB -0.543 18.491 19.000 0.056 0.000 0.804 460 A HN 0.831 nan 8.150 nan 0.000 0.453 461 L N -0.394 120.859 121.223 0.049 0.000 2.089 461 L HA -0.142 4.197 4.340 -0.001 0.000 0.213 461 L C 1.789 178.627 176.870 -0.054 0.000 1.079 461 L CA 1.852 56.678 54.840 -0.024 0.000 0.758 461 L CB -0.221 41.859 42.059 0.036 0.000 0.891 461 L HN 0.423 nan 8.230 nan 0.000 0.433 462 L N -1.169 120.065 121.223 0.018 0.000 2.607 462 L HA 0.110 4.449 4.340 -0.001 0.000 0.228 462 L C 2.149 178.964 176.870 -0.092 0.000 1.123 462 L CA 0.602 55.415 54.840 -0.045 0.000 0.890 462 L CB -0.425 41.689 42.059 0.090 0.000 1.103 462 L HN 0.355 nan 8.230 nan 0.000 0.468 463 S N -1.415 114.254 115.700 -0.052 0.000 2.481 463 S HA -0.115 4.354 4.470 -0.001 0.000 0.231 463 S C 1.712 176.262 174.600 -0.083 0.000 0.996 463 S CA 1.118 59.289 58.200 -0.049 0.000 0.942 463 S CB -0.600 62.589 63.200 -0.018 0.000 0.768 463 S HN 0.504 nan 8.310 nan 0.000 0.520 464 T N -0.441 114.043 114.554 -0.118 0.000 3.107 464 T HA 0.349 4.698 4.350 -0.001 0.000 0.249 464 T C 0.260 174.855 174.700 -0.176 0.000 1.096 464 T CA -0.303 61.723 62.100 -0.124 0.000 1.012 464 T CB -0.163 68.629 68.868 -0.127 0.000 0.977 464 T HN 0.186 nan 8.240 nan 0.000 0.527 465 V N 3.627 123.378 119.914 -0.272 0.000 2.333 465 V HA 0.270 4.390 4.120 -0.001 0.000 0.274 465 V C -1.528 174.387 176.094 -0.297 0.000 1.028 465 V CA -1.812 60.239 62.300 -0.416 0.000 0.851 465 V CB 1.459 32.755 31.823 -0.878 0.000 1.000 465 V HN 0.082 nan 8.190 nan 0.000 0.456 466 P HA -0.083 nan 4.420 nan 0.000 0.218 466 P C 1.265 178.515 177.300 -0.082 0.000 1.149 466 P CA 0.882 63.936 63.100 -0.077 0.000 0.817 466 P CB 0.458 32.151 31.700 -0.012 0.000 0.785 467 E N -0.162 119.968 120.200 -0.117 0.000 2.153 467 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 467 E C 2.083 178.663 176.600 -0.033 0.000 0.988 467 E CA 1.509 57.880 56.400 -0.047 0.000 0.811 467 E CB -0.890 28.826 29.700 0.027 0.000 0.746 467 E HN 0.198 nan 8.360 nan 0.000 0.466 468 A N 0.398 123.080 122.820 -0.230 0.000 1.898 468 A HA -0.077 4.242 4.320 -0.001 0.000 0.214 468 A C 2.437 180.027 177.584 0.009 0.000 1.183 468 A CA 0.884 52.895 52.037 -0.043 0.000 0.622 468 A CB -0.567 18.333 19.000 -0.166 0.000 0.824 468 A HN 0.135 nan 8.150 nan 0.000 0.444 469 V N 0.276 120.164 119.914 -0.043 0.000 2.287 469 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 469 V C 2.800 178.904 176.094 0.017 0.000 1.053 469 V CA 2.457 64.753 62.300 -0.007 0.000 1.027 469 V CB -0.938 30.870 31.823 -0.024 0.000 0.646 469 V HN 0.558 nan 8.190 nan 0.000 0.447 470 S N 0.219 115.929 115.700 0.017 0.000 2.370 470 S HA -0.197 4.272 4.470 -0.001 0.000 0.226 470 S C 2.161 176.794 174.600 0.056 0.000 1.033 470 S CA 1.473 59.694 58.200 0.035 0.000 1.011 470 S CB -0.524 62.698 63.200 0.037 0.000 0.852 470 S HN 0.677 nan 8.310 nan 0.000 0.457 471 A N 0.853 123.723 122.820 0.083 0.000 2.015 471 A HA 0.123 4.442 4.320 -0.001 0.000 0.219 471 A C 1.859 179.492 177.584 0.083 0.000 1.163 471 A CA 0.872 52.970 52.037 0.102 0.000 0.646 471 A CB -0.443 18.656 19.000 0.165 0.000 0.806 471 A HN 0.482 nan 8.150 nan 0.000 0.448 472 L N 0.497 121.764 121.223 0.074 0.000 2.592 472 L HA 0.057 4.396 4.340 -0.001 0.000 0.227 472 L C 1.465 178.361 176.870 0.044 0.000 1.127 472 L CA 0.247 55.123 54.840 0.061 0.000 0.884 472 L CB -0.310 41.788 42.059 0.065 0.000 1.065 472 L HN 0.500 nan 8.230 nan 0.000 0.457 473 S N 0.000 115.723 115.700 0.039 0.000 2.498 473 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 473 S CA 0.000 58.218 58.200 0.030 0.000 1.107 473 S CB 0.000 63.216 63.200 0.026 0.000 0.593 473 S HN 0.000 nan 8.310 nan 0.000 0.517