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_B 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 AVSAL 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 0.000 174.645 174.600 0.076 0.000 1.055 -2 S CA 0.000 58.235 58.200 0.058 0.000 1.107 -2 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 -1 H N 3.503 122.475 119.070 -0.164 0.000 2.389 -1 H HA 0.143 4.701 4.556 0.004 0.000 0.299 -1 H C 1.913 177.119 175.328 -0.202 0.000 1.081 -1 H CA 2.450 58.375 56.048 -0.206 0.000 1.345 -1 H CB -0.182 29.352 29.762 -0.379 0.000 1.393 -1 H HN 0.633 nan 8.280 nan 0.000 0.520 0 M N -0.064 119.480 119.600 -0.095 0.000 2.086 0 M HA -0.163 4.319 4.480 0.004 0.000 0.261 0 M C 1.595 177.877 176.300 -0.030 0.000 1.067 0 M CA 1.534 56.796 55.300 -0.064 0.000 1.116 0 M CB -0.004 32.561 32.600 -0.058 0.000 1.348 0 M HN 0.152 nan 8.290 nan 0.000 0.407 1 D N 0.442 120.818 120.400 -0.039 0.000 2.149 1 D HA -0.105 4.538 4.640 0.004 0.000 0.198 1 D C 1.868 178.124 176.300 -0.073 0.000 0.990 1 D CA 1.569 55.537 54.000 -0.054 0.000 0.839 1 D CB -0.162 40.603 40.800 -0.059 0.000 0.948 1 D HN 0.360 nan 8.370 nan 0.000 0.460 2 A N 0.224 123.007 122.820 -0.062 0.000 2.119 2 A HA -0.030 4.292 4.320 0.004 0.000 0.217 2 A C 2.218 179.796 177.584 -0.009 0.000 1.153 2 A CA 0.475 52.479 52.037 -0.054 0.000 0.692 2 A CB -0.461 18.500 19.000 -0.064 0.000 0.799 2 A HN 0.220 nan 8.150 nan 0.000 0.458 3 L N -1.006 120.225 121.223 0.014 0.000 2.418 3 L HA 0.051 4.393 4.340 0.004 0.000 0.218 3 L C 0.801 177.728 176.870 0.096 0.000 1.125 3 L CA 0.255 55.158 54.840 0.105 0.000 0.835 3 L CB -0.169 41.953 42.059 0.106 0.000 0.953 3 L HN 0.231 nan 8.230 nan 0.000 0.454 4 R N -0.351 120.104 120.500 -0.074 0.000 2.346 4 R HA 0.504 4.846 4.340 0.004 0.000 0.311 4 R C -1.498 174.679 176.300 -0.205 0.000 0.983 4 R CA -0.422 55.656 56.100 -0.036 0.000 0.880 4 R CB 1.234 31.509 30.300 -0.042 0.000 1.100 4 R HN -0.138 nan 8.270 nan 0.000 0.453 5 Y N 1.436 121.790 120.300 0.091 0.000 2.576 5 Y HA 0.372 4.924 4.550 0.003 0.000 0.346 5 Y C 0.403 176.396 175.900 0.157 0.000 1.018 5 Y CA -0.949 57.218 58.100 0.113 0.000 1.050 5 Y CB 1.696 40.184 38.460 0.047 0.000 1.280 5 Y HN 0.604 nan 8.280 nan 0.000 0.474 6 H N -0.023 119.102 119.070 0.092 0.000 2.985 6 H HA 0.505 5.062 4.556 0.001 0.000 0.360 6 H C -1.447 173.857 175.328 -0.041 0.000 1.221 6 H CA -1.348 54.709 56.048 0.015 0.000 1.121 6 H CB 0.964 30.729 29.762 0.005 0.000 1.854 6 H HN 0.476 nan 8.280 nan 0.000 0.551 7 I N 1.976 122.465 120.570 -0.134 0.000 2.496 7 I HA 0.174 4.346 4.170 0.004 0.000 0.285 7 I C 0.557 176.485 176.117 -0.315 0.000 1.080 7 I CA 0.301 61.438 61.300 -0.272 0.000 1.404 7 I CB 0.380 38.265 38.000 -0.192 0.000 1.403 7 I HN 0.617 nan 8.210 nan 0.000 0.539 8 E N 4.669 124.620 120.200 -0.414 0.000 2.423 8 E HA 0.478 4.830 4.350 0.004 0.000 0.269 8 E C -1.749 174.645 176.600 -0.342 0.000 0.948 8 E CA -0.667 55.591 56.400 -0.237 0.000 0.802 8 E CB 2.137 31.686 29.700 -0.252 0.000 1.339 8 E HN 0.375 nan 8.360 nan 0.000 0.445 9 W N 0.950 122.205 121.300 -0.075 0.000 2.647 9 W HA 0.388 5.047 4.660 -0.002 0.000 0.328 9 W C -0.625 175.878 176.519 -0.026 0.000 1.018 9 W CA -0.432 56.888 57.345 -0.043 0.000 1.245 9 W CB 1.322 30.756 29.460 -0.044 0.000 1.356 9 W HN 0.225 nan 8.180 nan 0.000 0.443 10 N N 2.360 121.146 118.700 0.143 0.000 2.399 10 N HA 0.372 5.114 4.740 0.004 0.000 0.295 10 N C -0.399 175.181 175.510 0.116 0.000 1.048 10 N CA -1.016 52.091 53.050 0.094 0.000 0.886 10 N CB 1.530 40.038 38.487 0.034 0.000 1.185 10 N HN 0.358 nan 8.380 nan 0.000 0.487 11 R N 1.013 121.567 120.500 0.090 0.000 2.570 11 R HA 0.213 4.555 4.340 0.004 0.000 0.277 11 R C -0.078 176.262 176.300 0.067 0.000 1.039 11 R CA -0.225 55.922 56.100 0.079 0.000 1.065 11 R CB 0.184 30.517 30.300 0.055 0.000 0.964 11 R HN 0.436 nan 8.270 nan 0.000 0.428 12 V N 1.226 121.183 119.914 0.071 0.000 3.177 12 V HA 0.794 4.916 4.120 0.004 0.000 0.319 12 V C 0.044 176.166 176.094 0.047 0.000 1.125 12 V CA -1.010 61.326 62.300 0.060 0.000 1.029 12 V CB 1.437 33.304 31.823 0.074 0.000 1.119 12 V HN 0.928 nan 8.190 nan 0.000 0.452 13 A N 0.793 123.637 122.820 0.040 0.000 2.445 13 A HA 0.396 4.718 4.320 0.004 0.000 0.242 13 A C 0.449 178.050 177.584 0.028 0.000 1.075 13 A CA -0.226 51.830 52.037 0.031 0.000 0.777 13 A CB -0.296 18.720 19.000 0.027 0.000 1.013 13 A HN 0.885 nan 8.150 nan 0.000 0.493 14 E N 2.122 122.334 120.200 0.020 0.000 2.442 14 E HA 0.162 4.514 4.350 0.004 0.000 0.262 14 E C -1.728 174.877 176.600 0.009 0.000 1.004 14 E CA -0.851 55.557 56.400 0.012 0.000 0.928 14 E CB -0.090 29.615 29.700 0.007 0.000 0.937 14 E HN 0.538 nan 8.360 nan 0.000 0.446 15 P HA 0.104 nan 4.420 nan 0.000 0.279 15 P C 0.760 178.055 177.300 -0.009 0.000 1.282 15 P CA -0.384 62.713 63.100 -0.005 0.000 0.788 15 P CB 0.453 32.138 31.700 -0.024 0.000 1.139 16 G N -1.229 107.564 108.800 -0.012 0.000 2.598 16 G HA2 -0.084 3.878 3.960 0.004 0.000 0.215 16 G HA3 -0.084 3.878 3.960 0.004 0.000 0.215 16 G C 0.093 174.980 174.900 -0.022 0.000 1.131 16 G CA 0.290 45.382 45.100 -0.013 0.000 0.785 16 G HN 0.633 nan 8.290 nan 0.000 0.539 17 T N 0.105 114.641 114.554 -0.030 0.000 1.048 17 T HA 0.168 4.520 4.350 0.004 0.000 0.714 17 T C 0.092 174.772 174.700 -0.033 0.000 0.982 17 T CA 1.133 63.212 62.100 -0.034 0.000 3.779 17 T CB -1.314 67.539 68.868 -0.024 0.000 2.136 17 T HN 1.924 nan 8.240 nan 0.000 0.373 18 A N 2.596 125.391 122.820 -0.043 0.000 0.690 18 A HA 0.421 4.743 4.320 0.004 0.000 0.199 18 A C -0.003 177.542 177.584 -0.065 0.000 0.606 18 A CA -0.300 51.711 52.037 -0.044 0.000 0.430 18 A CB 0.137 19.116 19.000 -0.035 0.000 0.677 18 A HN 1.108 nan 8.150 nan 0.000 0.332 19 R N 1.932 122.389 120.500 -0.073 0.000 2.577 19 R HA 0.703 5.045 4.340 0.004 0.000 0.269 19 R C -2.520 173.690 176.300 -0.150 0.000 1.084 19 R CA -1.283 54.755 56.100 -0.103 0.000 1.163 19 R CB -0.085 30.164 30.300 -0.085 0.000 1.100 19 R HN 0.317 nan 8.270 nan 0.000 0.547 20 P HA 0.005 nan 4.420 nan 0.000 0.268 20 P C 0.017 177.156 177.300 -0.267 0.000 1.204 20 P CA 0.324 63.172 63.100 -0.418 0.000 0.768 20 P CB 1.097 32.305 31.700 -0.821 0.000 0.842 21 A N 3.967 126.671 122.820 -0.193 0.000 1.873 21 A HA -0.047 4.275 4.320 0.004 0.000 0.218 21 A C 1.424 178.975 177.584 -0.055 0.000 1.193 21 A CA 1.945 53.930 52.037 -0.087 0.000 0.629 21 A CB -1.517 17.463 19.000 -0.032 0.000 0.826 21 A HN 0.627 nan 8.150 nan 0.000 0.447 22 G N -1.584 107.199 108.800 -0.029 0.000 2.621 22 G HA2 0.437 4.399 3.960 0.004 0.000 0.271 22 G HA3 0.437 4.399 3.960 0.004 0.000 0.271 22 G C -0.067 174.875 174.900 0.070 0.000 1.236 22 G CA -0.534 44.599 45.100 0.056 0.000 0.958 22 G HN 0.518 nan 8.290 nan 0.000 0.512 23 R N -0.977 119.591 120.500 0.115 0.000 2.357 23 R HA 0.415 4.757 4.340 0.004 0.000 0.296 23 R C 0.080 176.578 176.300 0.330 0.000 1.052 23 R CA -0.294 55.910 56.100 0.173 0.000 0.988 23 R CB 0.398 30.789 30.300 0.150 0.000 1.025 23 R HN 0.344 nan 8.270 nan 0.000 0.469 24 L N 4.329 125.694 121.223 0.237 0.000 2.375 24 L HA 0.394 4.736 4.340 0.004 0.000 0.271 24 L C -0.490 176.444 176.870 0.106 0.000 1.107 24 L CA -0.972 53.983 54.840 0.191 0.000 0.806 24 L CB 1.011 43.119 42.059 0.081 0.000 1.146 24 L HN 0.457 nan 8.230 nan 0.000 0.447 25 L N 2.704 123.837 121.223 -0.150 0.000 2.298 25 L HA 0.670 5.012 4.340 0.004 0.000 0.284 25 L C -0.197 176.565 176.870 -0.180 0.000 1.013 25 L CA -0.126 54.472 54.840 -0.404 0.000 0.824 25 L CB 1.175 42.629 42.059 -1.008 0.000 1.221 25 L HN 0.632 nan 8.230 nan 0.000 0.418 26 A N 5.155 127.917 122.820 -0.097 0.000 2.292 26 A HA 0.747 5.069 4.320 0.004 0.000 0.319 26 A C -0.944 176.619 177.584 -0.034 0.000 1.206 26 A CA -0.535 51.472 52.037 -0.050 0.000 0.835 26 A CB 1.052 20.028 19.000 -0.039 0.000 1.164 26 A HN 0.526 nan 8.150 nan 0.000 0.505 27 V N 3.918 123.820 119.914 -0.020 0.000 2.398 27 V HA 0.469 4.592 4.120 0.004 0.000 0.286 27 V C -0.270 175.780 176.094 -0.074 0.000 1.026 27 V CA -0.109 62.185 62.300 -0.010 0.000 0.868 27 V CB 1.041 32.887 31.823 0.038 0.000 0.982 27 V HN 0.743 nan 8.190 nan 0.000 0.443 28 I N 2.812 123.291 120.570 -0.151 0.000 2.608 28 I HA 0.388 4.560 4.170 0.004 0.000 0.295 28 I C 0.091 176.101 176.117 -0.178 0.000 1.049 28 I CA -0.407 60.802 61.300 -0.153 0.000 1.063 28 I CB 2.325 40.230 38.000 -0.158 0.000 1.248 28 I HN 0.553 nan 8.210 nan 0.000 0.424 29 S N 6.707 122.347 115.700 -0.101 0.000 2.416 29 S HA 0.330 4.802 4.470 0.004 0.000 0.287 29 S C -1.415 173.153 174.600 -0.053 0.000 1.139 29 S CA -1.530 56.640 58.200 -0.050 0.000 1.058 29 S CB 0.745 63.985 63.200 0.068 0.000 0.967 29 S HN 0.411 nan 8.310 nan 0.000 0.495 30 P HA -0.020 nan 4.420 nan 0.000 0.221 30 P C 0.288 177.510 177.300 -0.130 0.000 1.150 30 P CA 0.850 63.875 63.100 -0.125 0.000 0.800 30 P CB 0.119 31.734 31.700 -0.143 0.000 0.787 31 D N -1.276 119.036 120.400 -0.147 0.000 2.363 31 D HA -0.041 4.601 4.640 0.004 0.000 0.226 31 D C 0.139 176.072 176.300 -0.611 0.000 1.020 31 D CA 0.809 54.599 54.000 -0.349 0.000 0.892 31 D CB -0.454 40.112 40.800 -0.391 0.000 0.900 31 D HN 0.432 nan 8.370 nan 0.000 0.531 32 H N -1.064 117.970 119.070 -0.060 0.000 2.825 32 H HA 0.488 5.046 4.556 0.004 0.000 0.226 32 H C 0.275 175.540 175.328 -0.105 0.000 1.414 32 H CA -0.185 55.830 56.048 -0.055 0.000 1.198 32 H CB 0.997 30.747 29.762 -0.019 0.000 2.013 32 H HN -0.005 nan 8.280 nan 0.000 0.530 33 A N 0.060 122.834 122.820 -0.076 0.000 2.508 33 A HA 0.368 4.690 4.320 0.004 0.000 0.257 33 A C 1.960 179.458 177.584 -0.144 0.000 1.226 33 A CA 0.454 52.413 52.037 -0.130 0.000 0.947 33 A CB 0.174 19.098 19.000 -0.125 0.000 1.079 33 A HN 0.540 nan 8.150 nan 0.000 0.531 34 G N -0.524 108.209 108.800 -0.112 0.000 3.020 34 G HA2 0.422 4.384 3.960 0.004 0.000 0.217 34 G HA3 0.422 4.384 3.960 0.004 0.000 0.217 34 G C 0.740 175.588 174.900 -0.087 0.000 1.144 34 G CA 0.677 45.721 45.100 -0.092 0.000 0.760 34 G HN 0.693 nan 8.290 nan 0.000 0.548 35 A N 0.988 123.736 122.820 -0.120 0.000 2.483 35 A HA 0.505 4.828 4.320 0.004 0.000 0.238 35 A C -0.718 176.809 177.584 -0.095 0.000 1.070 35 A CA -0.701 51.296 52.037 -0.067 0.000 0.770 35 A CB 0.766 19.744 19.000 -0.036 0.000 1.008 35 A HN 0.080 nan 8.150 nan 0.000 0.497 36 P HA -0.152 nan 4.420 nan 0.000 0.217 36 P C 1.516 178.865 177.300 0.083 0.000 1.150 36 P CA 1.716 64.848 63.100 0.053 0.000 0.832 36 P CB -0.124 31.634 31.700 0.097 0.000 0.787 37 W N -0.756 120.551 121.300 0.012 0.000 2.425 37 W HA -0.036 4.628 4.660 0.006 0.000 0.277 37 W C 1.158 177.683 176.519 0.011 0.000 1.231 37 W CA 0.458 57.810 57.345 0.011 0.000 1.248 37 W CB -1.671 27.799 29.460 0.018 0.000 1.117 37 W HN -0.233 nan 8.180 nan 0.000 0.568 38 V N 2.798 122.208 119.914 -0.840 0.000 2.358 38 V HA -0.332 3.790 4.120 0.004 0.000 0.246 38 V C 3.005 178.908 176.094 -0.318 0.000 1.047 38 V CA 3.350 65.184 62.300 -0.777 0.000 1.035 38 V CB -1.489 29.850 31.823 -0.805 0.000 0.658 38 V HN 0.402 nan 8.190 nan 0.000 0.452 39 T N -0.847 113.581 114.554 -0.210 0.000 2.788 39 T HA -0.146 4.207 4.350 0.004 0.000 0.268 39 T C 1.893 176.559 174.700 -0.057 0.000 1.044 39 T CA 1.598 63.631 62.100 -0.111 0.000 1.139 39 T CB -0.430 68.391 68.868 -0.078 0.000 0.867 39 T HN 0.452 nan 8.240 nan 0.000 0.454 40 A N 0.910 123.719 122.820 -0.017 0.000 1.930 40 A HA 0.149 4.471 4.320 0.004 0.000 0.217 40 A C 2.640 180.237 177.584 0.022 0.000 1.175 40 A CA 1.387 53.437 52.037 0.021 0.000 0.627 40 A CB -0.993 18.047 19.000 0.068 0.000 0.815 40 A HN 0.417 nan 8.150 nan 0.000 0.443 41 V N 0.140 120.074 119.914 0.033 0.000 2.295 41 V HA -0.252 3.871 4.120 0.004 0.000 0.246 41 V C 2.575 178.661 176.094 -0.013 0.000 1.049 41 V CA 1.964 64.285 62.300 0.035 0.000 1.024 41 V CB -0.743 31.129 31.823 0.081 0.000 0.648 41 V HN 0.573 nan 8.190 nan 0.000 0.447 42 L N 0.004 121.198 121.223 -0.049 0.000 2.042 42 L HA -0.223 4.120 4.340 0.004 0.000 0.210 42 L C 2.410 179.260 176.870 -0.033 0.000 1.076 42 L CA 2.018 56.828 54.840 -0.050 0.000 0.749 42 L CB -0.676 41.340 42.059 -0.072 0.000 0.893 42 L HN 0.388 nan 8.230 nan 0.000 0.432 43 D N -0.013 120.370 120.400 -0.029 0.000 2.144 43 D HA -0.175 4.467 4.640 0.004 0.000 0.199 43 D C 2.131 178.421 176.300 -0.016 0.000 0.984 43 D CA 1.364 55.352 54.000 -0.020 0.000 0.834 43 D CB 0.142 40.932 40.800 -0.016 0.000 0.955 43 D HN 0.261 nan 8.370 nan 0.000 0.465 44 A N -0.010 122.803 122.820 -0.012 0.000 1.969 44 A HA -0.041 4.281 4.320 0.004 0.000 0.218 44 A C 2.358 179.928 177.584 -0.024 0.000 1.169 44 A CA 0.846 52.874 52.037 -0.015 0.000 0.635 44 A CB -0.653 18.342 19.000 -0.009 0.000 0.810 44 A HN 0.372 nan 8.150 nan 0.000 0.445 45 L N -1.113 120.096 121.223 -0.023 0.000 2.376 45 L HA 0.209 4.551 4.340 0.004 0.000 0.219 45 L C 1.279 178.137 176.870 -0.020 0.000 1.133 45 L CA 0.394 55.218 54.840 -0.026 0.000 0.816 45 L CB -1.134 40.912 42.059 -0.022 0.000 0.933 45 L HN 0.596 nan 8.230 nan 0.000 0.449 46 G N 0.127 108.916 108.800 -0.018 0.000 2.690 46 G HA2 -0.143 3.820 3.960 0.004 0.000 0.686 46 G HA3 -0.143 3.820 3.960 0.004 0.000 0.686 46 G C -2.281 172.614 174.900 -0.007 0.000 1.277 46 G CA -0.377 44.715 45.100 -0.013 0.000 0.799 46 G HN -0.010 nan 8.290 nan 0.000 0.613 47 P HA 0.066 nan 4.420 nan 0.000 0.241 47 P C 0.871 178.175 177.300 0.007 0.000 1.191 47 P CA 1.501 64.600 63.100 -0.002 0.000 0.771 47 P CB 0.182 31.880 31.700 -0.004 0.000 0.929 48 D N -0.332 120.074 120.400 0.010 0.000 2.323 48 D HA -0.051 4.591 4.640 0.004 0.000 0.209 48 D C 0.262 176.588 176.300 0.044 0.000 0.973 48 D CA 0.453 54.467 54.000 0.022 0.000 0.874 48 D CB -0.381 40.428 40.800 0.015 0.000 0.930 48 D HN -0.108 nan 8.370 nan 0.000 0.521 49 T N 0.792 115.369 114.554 0.038 0.000 2.902 49 T HA 0.161 4.513 4.350 0.004 0.000 0.301 49 T C -0.047 174.690 174.700 0.061 0.000 1.012 49 T CA -0.402 61.730 62.100 0.055 0.000 1.151 49 T CB 1.376 70.257 68.868 0.022 0.000 0.946 49 T HN -0.122 nan 8.240 nan 0.000 0.542 50 V N 5.721 125.696 119.914 0.103 0.000 2.546 50 V HA 0.326 4.449 4.120 0.004 0.000 0.284 50 V C 0.634 176.746 176.094 0.030 0.000 1.050 50 V CA -0.383 61.977 62.300 0.101 0.000 0.981 50 V CB 0.955 32.912 31.823 0.223 0.000 0.990 50 V HN 0.718 nan 8.190 nan 0.000 0.474 51 R N 3.846 124.366 120.500 0.033 0.000 2.445 51 R HA 0.519 4.861 4.340 0.004 0.000 0.308 51 R C -1.181 175.155 176.300 0.060 0.000 0.961 51 R CA -0.423 55.683 56.100 0.009 0.000 0.862 51 R CB 2.014 32.301 30.300 -0.020 0.000 1.144 51 R HN 0.682 nan 8.270 nan 0.000 0.447 52 F N 2.331 122.200 119.950 -0.135 0.000 2.460 52 F HA 0.287 4.816 4.527 0.003 0.000 0.341 52 F C -0.349 175.337 175.800 -0.191 0.000 1.130 52 F CA -0.697 57.207 58.000 -0.161 0.000 0.962 52 F CB 1.422 40.303 39.000 -0.199 0.000 1.171 52 F HN 0.429 nan 8.300 nan 0.000 0.436 53 E N 5.439 125.177 120.200 -0.770 0.000 2.105 53 E HA 0.382 4.734 4.350 0.004 0.000 0.285 53 E C -0.566 175.269 176.600 -1.275 0.000 1.055 53 E CA -0.607 55.334 56.400 -0.765 0.000 0.843 53 E CB 1.281 30.733 29.700 -0.414 0.000 1.067 53 E HN 0.645 nan 8.360 nan 0.000 0.398 54 A N 5.207 127.364 122.820 -1.106 0.000 2.415 54 A HA 0.138 4.460 4.320 0.004 0.000 0.309 54 A C -0.124 177.106 177.584 -0.590 0.000 1.356 54 A CA -0.495 50.746 52.037 -1.326 0.000 0.998 54 A CB 0.028 18.273 19.000 -1.259 0.000 1.145 54 A HN 0.458 nan 8.150 nan 0.000 0.545 55 K N 2.355 122.617 120.400 -0.231 0.000 2.183 55 K HA 0.570 4.892 4.320 0.004 0.000 0.274 55 K C 0.950 177.804 176.600 0.422 0.000 1.009 55 K CA 0.220 56.565 56.287 0.096 0.000 0.888 55 K CB 1.489 34.022 32.500 0.055 0.000 1.078 55 K HN 1.133 nan 8.250 nan 0.000 0.459 56 G N 2.157 111.129 108.800 0.286 0.000 2.566 56 G HA2 -0.317 3.645 3.960 0.004 0.000 0.280 56 G HA3 -0.317 3.645 3.960 0.004 0.000 0.280 56 G C -0.355 174.764 174.900 0.365 0.000 1.225 56 G CA 0.272 45.522 45.100 0.250 0.000 0.966 56 G HN 0.740 nan 8.290 nan 0.000 0.560 57 T N -2.734 111.911 114.554 0.152 0.000 3.198 57 T HA 0.543 4.895 4.350 0.004 0.000 0.352 57 T C -1.261 173.231 174.700 -0.347 0.000 1.197 57 T CA 0.367 62.414 62.100 -0.088 0.000 1.427 57 T CB 1.630 70.596 68.868 0.164 0.000 0.983 57 T HN 0.841 nan 8.240 nan 0.000 0.560 58 D N 1.598 121.517 120.400 -0.802 0.000 2.346 58 D HA 0.274 4.916 4.640 0.004 0.000 0.255 58 D C 1.044 176.863 176.300 -0.801 0.000 1.276 58 D CA -0.720 52.951 54.000 -0.548 0.000 0.941 58 D CB 1.604 42.249 40.800 -0.258 0.000 1.199 58 D HN 0.450 nan 8.370 nan 0.000 0.537 59 R N 2.582 122.759 120.500 -0.538 0.000 2.094 59 R HA -0.180 4.162 4.340 0.004 0.000 0.239 59 R C 1.685 177.893 176.300 -0.153 0.000 1.137 59 R CA 2.058 57.948 56.100 -0.350 0.000 0.943 59 R CB 0.006 30.190 30.300 -0.192 0.000 0.850 59 R HN 0.381 nan 8.270 nan 0.000 0.433 60 A N 0.428 123.182 122.820 -0.109 0.000 1.930 60 A HA -0.056 4.266 4.320 0.004 0.000 0.217 60 A C 2.318 179.918 177.584 0.026 0.000 1.175 60 A CA 1.575 53.595 52.037 -0.027 0.000 0.627 60 A CB -0.635 18.352 19.000 -0.021 0.000 0.815 60 A HN 0.577 nan 8.150 nan 0.000 0.443 61 A N -0.951 121.882 122.820 0.022 0.000 1.898 61 A HA -0.095 4.227 4.320 0.004 0.000 0.216 61 A C 1.938 179.720 177.584 0.329 0.000 1.181 61 A CA 1.444 53.569 52.037 0.146 0.000 0.620 61 A CB -0.777 18.321 19.000 0.162 0.000 0.819 61 A HN 0.728 nan 8.150 nan 0.000 0.442 62 W N -0.198 121.180 121.300 0.130 0.000 2.358 62 W HA 0.022 4.684 4.660 0.004 0.000 0.303 62 W C 2.756 179.288 176.519 0.021 0.000 1.208 62 W CA 0.374 57.819 57.345 0.168 0.000 1.274 62 W CB -1.461 28.138 29.460 0.231 0.000 1.138 62 W HN 0.421 nan 8.180 nan 0.000 0.515 63 A N 0.950 123.899 122.820 0.215 0.000 1.892 63 A HA -0.108 4.214 4.320 0.004 0.000 0.218 63 A C 2.299 179.923 177.584 0.068 0.000 1.188 63 A CA 3.156 55.251 52.037 0.096 0.000 0.631 63 A CB -1.228 17.805 19.000 0.056 0.000 0.822 63 A HN 0.166 nan 8.150 nan 0.000 0.447 64 A N -0.882 121.992 122.820 0.090 0.000 1.902 64 A HA -0.232 4.090 4.320 0.004 0.000 0.217 64 A C 2.124 179.750 177.584 0.070 0.000 1.181 64 A CA 1.790 53.872 52.037 0.074 0.000 0.623 64 A CB -0.591 18.458 19.000 0.081 0.000 0.818 64 A HN 0.680 nan 8.150 nan 0.000 0.443 65 Q N -0.480 119.386 119.800 0.110 0.000 2.084 65 Q HA -0.064 4.278 4.340 0.004 0.000 0.202 65 Q C 2.077 178.029 176.000 -0.080 0.000 0.978 65 Q CA 1.464 57.320 55.803 0.088 0.000 0.844 65 Q CB -0.320 28.595 28.738 0.293 0.000 0.898 65 Q HN 0.674 nan 8.270 nan 0.000 0.426 66 L N 0.122 121.219 121.223 -0.211 0.000 2.093 66 L HA -0.159 4.184 4.340 0.004 0.000 0.208 66 L C 2.524 179.351 176.870 -0.071 0.000 1.085 66 L CA 0.818 55.497 54.840 -0.269 0.000 0.755 66 L CB -0.620 41.262 42.059 -0.295 0.000 0.904 66 L HN 0.226 nan 8.230 nan 0.000 0.435 67 A N -0.318 122.488 122.820 -0.024 0.000 1.883 67 A HA -0.323 4.000 4.320 0.004 0.000 0.217 67 A C 2.213 179.810 177.584 0.022 0.000 1.186 67 A CA 2.102 54.145 52.037 0.010 0.000 0.624 67 A CB -0.590 18.419 19.000 0.016 0.000 0.822 67 A HN 0.394 nan 8.150 nan 0.000 0.444 68 Q N -0.276 119.539 119.800 0.024 0.000 2.030 68 Q HA -0.112 4.230 4.340 0.004 0.000 0.204 68 Q C 1.963 177.993 176.000 0.050 0.000 0.986 68 Q CA 1.833 57.657 55.803 0.036 0.000 0.843 68 Q CB -0.437 28.328 28.738 0.045 0.000 0.904 68 Q HN 0.675 nan 8.270 nan 0.000 0.420 69 L N -0.171 121.090 121.223 0.063 0.000 2.042 69 L HA -0.226 4.116 4.340 0.004 0.000 0.210 69 L C 2.541 179.521 176.870 0.183 0.000 1.076 69 L CA 1.484 56.407 54.840 0.137 0.000 0.749 69 L CB -0.364 41.770 42.059 0.125 0.000 0.893 69 L HN 0.186 nan 8.230 nan 0.000 0.432 70 R N 0.531 121.127 120.500 0.159 0.000 2.092 70 R HA -0.188 4.154 4.340 0.004 0.000 0.231 70 R C 2.065 178.357 176.300 -0.014 0.000 1.119 70 R CA 1.632 57.801 56.100 0.114 0.000 0.970 70 R CB -0.297 30.072 30.300 0.114 0.000 0.864 70 R HN 0.388 nan 8.270 nan 0.000 0.440 71 E N -0.094 120.112 120.200 0.010 0.000 2.051 71 E HA -0.186 4.166 4.350 0.004 0.000 0.192 71 E C 1.037 177.622 176.600 -0.026 0.000 0.991 71 E CA 1.816 58.211 56.400 -0.008 0.000 0.799 71 E CB -0.056 29.648 29.700 0.006 0.000 0.748 71 E HN 0.371 nan 8.360 nan 0.000 0.449 72 D N -0.032 120.360 120.400 -0.013 0.000 2.144 72 D HA -0.165 4.477 4.640 0.004 0.000 0.200 72 D C 1.869 178.128 176.300 -0.069 0.000 0.978 72 D CA 1.175 55.163 54.000 -0.021 0.000 0.833 72 D CB -0.183 40.623 40.800 0.010 0.000 0.961 72 D HN 0.202 nan 8.370 nan 0.000 0.470 73 E N 0.423 120.540 120.200 -0.138 0.000 2.250 73 E HA 0.159 4.512 4.350 0.004 0.000 0.192 73 E C 0.926 177.335 176.600 -0.318 0.000 0.986 73 E CA 0.855 57.079 56.400 -0.293 0.000 0.849 73 E CB 0.094 29.401 29.700 -0.655 0.000 0.797 73 E HN 0.201 nan 8.360 nan 0.000 0.482 74 G N 0.755 109.399 108.800 -0.260 0.000 2.741 74 G HA2 -0.312 3.650 3.960 0.004 0.000 0.222 74 G HA3 -0.312 3.650 3.960 0.004 0.000 0.222 74 G C -0.781 173.919 174.900 -0.334 0.000 1.364 74 G CA -0.175 44.800 45.100 -0.208 0.000 0.866 74 G HN 0.479 nan 8.290 nan 0.000 0.555 75 E N -0.539 119.537 120.200 -0.208 0.000 2.415 75 E HA 0.451 4.803 4.350 0.004 0.000 0.263 75 E C -0.172 176.281 176.600 -0.245 0.000 0.995 75 E CA -0.301 56.004 56.400 -0.158 0.000 0.915 75 E CB 0.340 30.013 29.700 -0.044 0.000 0.951 75 E HN 0.413 nan 8.360 nan 0.000 0.449 76 F N 1.321 121.282 119.950 0.018 0.000 2.380 76 F HA 0.069 4.598 4.527 0.004 0.000 0.325 76 F C 1.888 177.725 175.800 0.062 0.000 1.136 76 F CA -0.198 57.828 58.000 0.044 0.000 1.171 76 F CB 0.694 39.714 39.000 0.033 0.000 1.230 76 F HN 0.674 nan 8.300 nan 0.000 0.554 77 H N 0.887 120.090 119.070 0.222 0.000 2.403 77 H HA 0.351 4.909 4.556 0.003 0.000 0.298 77 H C -0.146 175.275 175.328 0.155 0.000 1.059 77 H CA 1.159 57.290 56.048 0.138 0.000 1.363 77 H CB 0.339 30.160 29.762 0.099 0.000 1.410 77 H HN 0.580 nan 8.280 nan 0.000 0.528 78 A N 0.072 123.037 122.820 0.241 0.000 2.586 78 A HA 0.471 4.793 4.320 0.004 0.000 0.291 78 A C -1.539 176.127 177.584 0.138 0.000 1.062 78 A CA -0.491 51.659 52.037 0.188 0.000 0.666 78 A CB 1.222 20.412 19.000 0.317 0.000 1.281 78 A HN 0.006 nan 8.150 nan 0.000 0.421 79 V N 0.702 120.673 119.914 0.095 0.000 2.417 79 V HA 0.581 4.704 4.120 0.004 0.000 0.291 79 V C -0.523 175.620 176.094 0.081 0.000 1.024 79 V CA -0.552 61.748 62.300 0.000 0.000 0.861 79 V CB 1.432 33.224 31.823 -0.052 0.000 0.985 79 V HN 0.725 nan 8.190 nan 0.000 0.436 80 V N 3.628 123.570 119.914 0.047 0.000 2.326 80 V HA 0.387 4.509 4.120 0.004 0.000 0.281 80 V C 0.260 176.389 176.094 0.059 0.000 1.015 80 V CA -0.250 62.098 62.300 0.081 0.000 0.823 80 V CB 1.569 33.415 31.823 0.038 0.000 1.009 80 V HN 0.878 nan 8.190 nan 0.000 0.436 81 S N 5.031 120.786 115.700 0.092 0.000 2.475 81 S HA 0.525 4.997 4.470 0.004 0.000 0.281 81 S C 0.186 174.856 174.600 0.117 0.000 1.198 81 S CA -0.545 57.707 58.200 0.086 0.000 1.063 81 S CB 0.828 64.093 63.200 0.107 0.000 0.972 81 S HN 0.494 nan 8.310 nan 0.000 0.486 82 L N 6.026 127.288 121.223 0.065 0.000 2.910 82 L HA 0.378 4.720 4.340 0.004 0.000 0.252 82 L C 1.317 178.223 176.870 0.060 0.000 1.195 82 L CA 0.492 55.362 54.840 0.051 0.000 1.003 82 L CB -0.775 41.202 42.059 -0.137 0.000 1.328 82 L HN 0.696 nan 8.230 nan 0.000 0.540 83 L N -0.087 121.190 121.223 0.090 0.000 2.265 83 L HA -0.132 4.211 4.340 0.004 0.000 0.215 83 L C 2.539 179.492 176.870 0.138 0.000 1.117 83 L CA 1.005 55.899 54.840 0.089 0.000 0.782 83 L CB -0.563 41.556 42.059 0.100 0.000 0.914 83 L HN 0.374 nan 8.230 nan 0.000 0.441 84 A N 0.386 123.338 122.820 0.220 0.000 2.076 84 A HA -0.142 4.180 4.320 0.004 0.000 0.220 84 A C 2.526 180.276 177.584 0.278 0.000 1.160 84 A CA 1.471 53.659 52.037 0.252 0.000 0.653 84 A CB -0.495 18.692 19.000 0.312 0.000 0.801 84 A HN 0.405 nan 8.150 nan 0.000 0.455 85 A N -0.273 122.739 122.820 0.319 0.000 2.070 85 A HA 0.328 4.651 4.320 0.004 0.000 0.220 85 A C 1.537 179.177 177.584 0.094 0.000 1.159 85 A CA 1.044 53.251 52.037 0.283 0.000 0.656 85 A CB -0.742 18.300 19.000 0.071 0.000 0.800 85 A HN 1.130 nan 8.150 nan 0.000 0.453 86 A N 0.448 123.248 122.820 -0.032 0.000 2.666 86 A HA 0.390 4.713 4.320 0.004 0.000 0.301 86 A C 0.678 178.101 177.584 -0.268 0.000 1.470 86 A CA -0.186 51.585 52.037 -0.443 0.000 1.159 86 A CB -0.311 18.482 19.000 -0.345 0.000 1.116 86 A HN 0.548 nan 8.150 nan 0.000 0.548 87 E N 1.976 122.054 120.200 -0.204 0.000 2.400 87 E HA 0.118 4.470 4.350 0.004 0.000 0.195 87 E C 1.040 177.605 176.600 -0.059 0.000 1.012 87 E CA 0.293 56.658 56.400 -0.058 0.000 0.875 87 E CB 0.246 29.957 29.700 0.018 0.000 0.859 87 E HN 0.824 nan 8.360 nan 0.000 0.498 88 A N 1.524 124.276 122.820 -0.113 0.000 2.520 88 A HA 0.102 4.424 4.320 0.004 0.000 0.235 88 A C 0.235 177.821 177.584 0.004 0.000 1.065 88 A CA -0.026 52.006 52.037 -0.008 0.000 0.764 88 A CB 0.091 19.131 19.000 0.067 0.000 1.002 88 A HN 0.170 nan 8.150 nan 0.000 0.502 89 L N 2.612 123.859 121.223 0.040 0.000 2.456 89 L HA 0.075 4.417 4.340 0.004 0.000 0.272 89 L C 1.219 178.154 176.870 0.108 0.000 1.189 89 L CA -0.320 54.562 54.840 0.071 0.000 0.846 89 L CB 0.227 42.324 42.059 0.063 0.000 1.111 89 L HN 0.777 nan 8.230 nan 0.000 0.475 90 H N 1.831 120.940 119.070 0.065 0.000 2.928 90 H HA -0.045 4.513 4.556 0.003 0.000 0.338 90 H C 1.007 176.371 175.328 0.059 0.000 1.047 90 H CA 0.610 56.713 56.048 0.091 0.000 1.435 90 H CB 1.339 31.193 29.762 0.154 0.000 1.428 90 H HN 0.806 nan 8.280 nan 0.000 0.590 91 T N 0.670 115.257 114.554 0.056 0.000 2.881 91 T HA -0.127 4.225 4.350 0.004 0.000 0.270 91 T C 0.852 175.628 174.700 0.125 0.000 1.068 91 T CA 1.425 63.571 62.100 0.076 0.000 1.131 91 T CB 0.194 69.059 68.868 -0.005 0.000 0.871 91 T HN 0.550 nan 8.240 nan 0.000 0.479 92 D N 0.385 120.971 120.400 0.310 0.000 2.379 92 D HA 0.070 4.712 4.640 0.004 0.000 0.208 92 D C 0.036 176.003 176.300 -0.555 0.000 1.065 92 D CA 0.256 54.155 54.000 -0.168 0.000 0.848 92 D CB 0.229 40.834 40.800 -0.324 0.000 0.949 92 D HN 0.558 nan 8.370 nan 0.000 0.509 93 H N -0.289 118.820 119.070 0.065 0.000 2.974 93 H HA 0.262 4.821 4.556 0.004 0.000 0.285 93 H C 1.079 176.426 175.328 0.033 0.000 1.227 93 H CA -0.329 55.697 56.048 -0.037 0.000 1.569 93 H CB 1.127 30.770 29.762 -0.199 0.000 1.648 93 H HN -0.044 nan 8.280 nan 0.000 0.521 94 G N 1.048 109.907 108.800 0.098 0.000 2.625 94 G HA2 -0.140 3.822 3.960 0.004 0.000 0.214 94 G HA3 -0.140 3.822 3.960 0.004 0.000 0.214 94 G C 0.858 175.788 174.900 0.050 0.000 1.132 94 G CA 0.314 45.460 45.100 0.076 0.000 0.782 94 G HN 0.349 nan 8.290 nan 0.000 0.538 95 S N -0.683 115.040 115.700 0.038 0.000 2.554 95 S HA 0.284 4.756 4.470 0.004 0.000 0.226 95 S C 0.101 174.689 174.600 -0.019 0.000 0.980 95 S CA -0.305 57.885 58.200 -0.017 0.000 0.939 95 S CB 1.086 64.265 63.200 -0.034 0.000 0.832 95 S HN 0.041 nan 8.310 nan 0.000 0.486 96 V N 3.970 123.909 119.914 0.041 0.000 2.334 96 V HA 0.352 4.474 4.120 0.004 0.000 0.281 96 V C -2.698 173.445 176.094 0.082 0.000 1.016 96 V CA -2.404 59.919 62.300 0.040 0.000 0.832 96 V CB 1.139 32.977 31.823 0.026 0.000 0.999 96 V HN 0.024 nan 8.190 nan 0.000 0.439 97 P HA 0.003 nan 4.420 nan 0.000 0.264 97 P C 0.782 178.136 177.300 0.090 0.000 1.183 97 P CA -0.066 63.066 63.100 0.054 0.000 0.763 97 P CB 0.698 32.424 31.700 0.043 0.000 0.807 98 L N 4.989 126.257 121.223 0.074 0.000 2.043 98 L HA -0.140 4.202 4.340 0.004 0.000 0.212 98 L C 2.185 179.122 176.870 0.112 0.000 1.075 98 L CA 2.640 57.545 54.840 0.107 0.000 0.752 98 L CB -1.552 40.515 42.059 0.014 0.000 0.891 98 L HN 0.522 nan 8.230 nan 0.000 0.432 99 G N -0.924 107.908 108.800 0.054 0.000 2.432 99 G HA2 -0.258 3.704 3.960 0.004 0.000 0.219 99 G HA3 -0.258 3.704 3.960 0.004 0.000 0.219 99 G C 1.571 176.548 174.900 0.128 0.000 1.135 99 G CA 0.892 46.045 45.100 0.089 0.000 0.767 99 G HN 0.428 nan 8.290 nan 0.000 0.550 100 L N 1.055 122.348 121.223 0.116 0.000 2.044 100 L HA 0.287 4.629 4.340 0.004 0.000 0.205 100 L C 3.081 180.017 176.870 0.110 0.000 1.075 100 L CA 2.001 56.907 54.840 0.111 0.000 0.747 100 L CB -0.620 41.492 42.059 0.088 0.000 0.903 100 L HN 0.194 nan 8.230 nan 0.000 0.435 101 A N -0.991 121.899 122.820 0.117 0.000 1.883 101 A HA -0.280 4.042 4.320 0.004 0.000 0.217 101 A C 2.220 179.907 177.584 0.171 0.000 1.186 101 A CA 2.076 54.177 52.037 0.108 0.000 0.624 101 A CB -0.648 18.456 19.000 0.174 0.000 0.822 101 A HN 0.666 nan 8.150 nan 0.000 0.444 102 Q N -1.234 118.718 119.800 0.254 0.000 2.172 102 Q HA -0.086 4.256 4.340 0.004 0.000 0.200 102 Q C 2.135 178.355 176.000 0.367 0.000 0.964 102 Q CA 1.589 57.644 55.803 0.420 0.000 0.855 102 Q CB -0.240 28.732 28.738 0.389 0.000 0.918 102 Q HN 0.698 nan 8.270 nan 0.000 0.444 103 T N 1.683 116.377 114.554 0.234 0.000 2.708 103 T HA -0.151 4.202 4.350 0.004 0.000 0.266 103 T C 1.784 176.589 174.700 0.174 0.000 1.037 103 T CA 0.974 63.193 62.100 0.198 0.000 1.146 103 T CB -0.296 68.670 68.868 0.164 0.000 0.865 103 T HN 0.139 nan 8.240 nan 0.000 0.435 104 L N 1.000 122.300 121.223 0.128 0.000 2.013 104 L HA -0.069 4.273 4.340 0.004 0.000 0.212 104 L C 2.108 179.033 176.870 0.091 0.000 1.073 104 L CA 1.710 56.596 54.840 0.077 0.000 0.753 104 L CB -0.698 41.382 42.059 0.034 0.000 0.890 104 L HN 0.191 nan 8.230 nan 0.000 0.432 105 L N -1.159 120.140 121.223 0.127 0.000 2.156 105 L HA -0.124 4.218 4.340 0.004 0.000 0.208 105 L C 2.471 179.503 176.870 0.271 0.000 1.095 105 L CA 1.204 56.090 54.840 0.077 0.000 0.770 105 L CB -1.067 40.900 42.059 -0.153 0.000 0.914 105 L HN 0.406 nan 8.230 nan 0.000 0.439 106 L N 0.630 122.118 121.223 0.443 0.000 2.017 106 L HA -0.136 4.206 4.340 0.004 0.000 0.208 106 L C 2.655 179.631 176.870 0.177 0.000 1.073 106 L CA 2.089 57.146 54.840 0.363 0.000 0.745 106 L CB -0.715 41.511 42.059 0.278 0.000 0.894 106 L HN 0.162 nan 8.230 nan 0.000 0.432 107 A N -1.144 121.752 122.820 0.127 0.000 1.940 107 A HA -0.293 4.029 4.320 0.004 0.000 0.219 107 A C 2.198 179.761 177.584 -0.036 0.000 1.176 107 A CA 2.073 54.134 52.037 0.040 0.000 0.631 107 A CB -0.620 18.397 19.000 0.029 0.000 0.814 107 A HN 0.693 nan 8.150 nan 0.000 0.446 108 Q N -0.923 118.877 119.800 -0.001 0.000 2.016 108 Q HA -0.057 4.285 4.340 0.004 0.000 0.200 108 Q C 2.465 178.459 176.000 -0.009 0.000 0.978 108 Q CA 1.411 57.196 55.803 -0.030 0.000 0.833 108 Q CB -0.356 28.373 28.738 -0.015 0.000 0.895 108 Q HN 0.678 nan 8.270 nan 0.000 0.427 109 A N 0.653 123.508 122.820 0.059 0.000 1.969 109 A HA -0.114 4.208 4.320 0.004 0.000 0.218 109 A C 2.056 179.661 177.584 0.036 0.000 1.169 109 A CA 0.861 52.946 52.037 0.080 0.000 0.635 109 A CB -0.568 18.567 19.000 0.225 0.000 0.810 109 A HN 0.263 nan 8.150 nan 0.000 0.445 110 L N -0.659 120.576 121.223 0.019 0.000 2.017 110 L HA -0.150 4.192 4.340 0.004 0.000 0.208 110 L C 2.872 179.722 176.870 -0.034 0.000 1.073 110 L CA 1.205 56.035 54.840 -0.018 0.000 0.745 110 L CB -0.886 41.163 42.059 -0.017 0.000 0.894 110 L HN 0.482 nan 8.230 nan 0.000 0.432 111 G N -0.303 108.454 108.800 -0.071 0.000 2.459 111 G HA2 -0.289 3.673 3.960 0.004 0.000 0.217 111 G HA3 -0.289 3.673 3.960 0.004 0.000 0.217 111 G C 1.148 176.027 174.900 -0.035 0.000 1.183 111 G CA 1.079 46.128 45.100 -0.085 0.000 0.776 111 G HN 0.302 nan 8.290 nan 0.000 0.552 112 D N 0.937 121.323 120.400 -0.024 0.000 2.117 112 D HA -0.023 4.619 4.640 0.004 0.000 0.197 112 D C 2.694 178.994 176.300 0.001 0.000 0.987 112 D CA 1.311 55.307 54.000 -0.006 0.000 0.829 112 D CB -0.400 40.401 40.800 0.002 0.000 0.961 112 D HN 0.332 nan 8.370 nan 0.000 0.460 113 A N -0.408 122.413 122.820 0.001 0.000 2.208 113 A HA 0.374 4.696 4.320 0.004 0.000 0.209 113 A C 1.726 179.314 177.584 0.007 0.000 1.161 113 A CA 1.137 53.177 52.037 0.004 0.000 0.782 113 A CB -0.230 18.767 19.000 -0.004 0.000 0.816 113 A HN 0.268 nan 8.150 nan 0.000 0.477 114 G N -1.436 107.366 108.800 0.004 0.000 2.147 114 G HA2 -0.186 3.777 3.960 0.004 0.000 0.244 114 G HA3 -0.186 3.777 3.960 0.004 0.000 0.244 114 G C -0.141 174.772 174.900 0.022 0.000 1.005 114 G CA 0.201 45.307 45.100 0.010 0.000 0.713 114 G HN 0.375 nan 8.290 nan 0.000 0.515 115 L N 1.474 122.711 121.223 0.023 0.000 2.369 115 L HA 0.481 4.823 4.340 0.004 0.000 0.279 115 L C 1.838 178.731 176.870 0.039 0.000 1.108 115 L CA 1.157 56.029 54.840 0.053 0.000 0.852 115 L CB 1.324 43.410 42.059 0.045 0.000 1.169 115 L HN 0.371 nan 8.230 nan 0.000 0.452 116 T N -0.597 113.987 114.554 0.049 0.000 3.040 116 T HA 0.358 4.710 4.350 0.004 0.000 0.250 116 T C 0.793 175.510 174.700 0.029 0.000 1.058 116 T CA 0.109 62.228 62.100 0.031 0.000 0.988 116 T CB 0.199 69.081 68.868 0.023 0.000 0.993 116 T HN 0.504 nan 8.240 nan 0.000 0.519 117 A N 3.078 125.931 122.820 0.056 0.000 2.498 117 A HA 0.491 4.813 4.320 0.004 0.000 0.239 117 A C -2.378 175.210 177.584 0.006 0.000 1.068 117 A CA -1.156 50.907 52.037 0.044 0.000 0.766 117 A CB -0.337 18.738 19.000 0.125 0.000 1.003 117 A HN 0.243 nan 8.150 nan 0.000 0.497 118 P HA 0.154 nan 4.420 nan 0.000 0.265 118 P C -0.558 176.658 177.300 -0.140 0.000 1.193 118 P CA -0.056 62.968 63.100 -0.126 0.000 0.765 118 P CB 0.379 31.972 31.700 -0.178 0.000 0.823 119 L N 5.346 126.425 121.223 -0.240 0.000 2.290 119 L HA 0.458 4.800 4.340 0.004 0.000 0.284 119 L C -1.357 175.104 176.870 -0.683 0.000 1.078 119 L CA -0.209 54.497 54.840 -0.224 0.000 0.815 119 L CB -0.018 42.044 42.059 0.005 0.000 1.162 119 L HN 0.313 nan 8.230 nan 0.000 0.435 120 W N 4.675 125.769 121.300 -0.343 0.000 2.475 120 W HA 0.536 5.198 4.660 0.003 0.000 0.317 120 W C -0.713 175.660 176.519 -0.244 0.000 1.046 120 W CA -0.382 56.714 57.345 -0.416 0.000 1.215 120 W CB 1.727 31.036 29.460 -0.251 0.000 1.335 120 W HN 0.450 nan 8.180 nan 0.000 0.471 121 C N 4.986 124.258 119.300 -0.048 0.000 2.281 121 C HA 0.571 5.033 4.460 0.004 0.000 0.325 121 C C 0.272 175.313 174.990 0.084 0.000 1.282 121 C CA -0.775 58.283 59.018 0.066 0.000 1.640 121 C CB -0.770 27.033 27.740 0.105 0.000 2.288 121 C HN 0.436 nan 8.230 nan 0.000 0.507 122 L N 4.046 125.379 121.223 0.183 0.000 2.322 122 L HA 0.692 5.034 4.340 0.004 0.000 0.279 122 L C 0.624 177.627 176.870 0.221 0.000 1.036 122 L CA 0.156 55.130 54.840 0.223 0.000 0.807 122 L CB 1.655 43.931 42.059 0.361 0.000 1.226 122 L HN 0.804 nan 8.230 nan 0.000 0.433 123 T N -0.232 114.350 114.554 0.046 0.000 2.887 123 T HA 0.704 5.056 4.350 0.004 0.000 0.292 123 T C -0.697 173.630 174.700 -0.622 0.000 1.087 123 T CA -1.006 61.017 62.100 -0.128 0.000 1.009 123 T CB 2.418 71.440 68.868 0.258 0.000 1.203 123 T HN 0.525 nan 8.240 nan 0.000 0.518 124 R N -0.175 119.870 120.500 -0.759 0.000 2.473 124 R HA 0.596 4.938 4.340 0.004 0.000 0.303 124 R C 0.693 176.769 176.300 -0.374 0.000 1.002 124 R CA 0.536 56.152 56.100 -0.807 0.000 0.884 124 R CB 0.406 29.762 30.300 -1.574 0.000 1.173 124 R HN 1.546 nan 8.270 nan 0.000 0.464 125 G N 2.145 110.783 108.800 -0.271 0.000 2.147 125 G HA2 -0.254 3.708 3.960 0.004 0.000 0.244 125 G HA3 -0.254 3.708 3.960 0.004 0.000 0.244 125 G C 0.602 175.393 174.900 -0.181 0.000 1.005 125 G CA 0.237 45.217 45.100 -0.200 0.000 0.713 125 G HN 0.913 nan 8.290 nan 0.000 0.515 126 G N -1.151 107.545 108.800 -0.173 0.000 2.777 126 G HA2 0.485 4.448 3.960 0.004 0.000 0.211 126 G HA3 0.485 4.448 3.960 0.004 0.000 0.211 126 G C 0.781 175.420 174.900 -0.435 0.000 1.149 126 G CA 1.606 46.601 45.100 -0.175 0.000 0.785 126 G HN 1.760 nan 8.290 nan 0.000 0.536 127 V N -3.860 115.744 119.914 -0.517 0.000 3.040 127 V HA 0.879 5.002 4.120 0.004 0.000 0.312 127 V C -0.660 175.139 176.094 -0.491 0.000 1.115 127 V CA -1.306 60.635 62.300 -0.599 0.000 0.998 127 V CB 1.683 32.970 31.823 -0.894 0.000 1.042 127 V HN 0.298 nan 8.190 nan 0.000 0.433 128 A N 1.929 124.496 122.820 -0.422 0.000 2.322 128 A HA 0.939 5.261 4.320 0.004 0.000 0.327 128 A C 0.123 177.333 177.584 -0.623 0.000 1.394 128 A CA 0.058 51.867 52.037 -0.381 0.000 0.921 128 A CB 0.078 18.961 19.000 -0.194 0.000 1.153 128 A HN 2.214 nan 8.150 nan 0.000 0.523 129 A N 2.277 124.613 122.820 -0.807 0.000 2.353 129 A HA 0.888 5.210 4.320 0.004 0.000 0.299 129 A C 0.214 177.519 177.584 -0.465 0.000 1.089 129 A CA 0.031 51.422 52.037 -1.077 0.000 0.736 129 A CB 0.669 18.644 19.000 -1.709 0.000 1.195 129 A HN 2.696 nan 8.150 nan 0.000 0.447 130 G N 1.975 110.632 108.800 -0.238 0.000 2.674 130 G HA2 0.215 4.178 3.960 0.004 0.000 0.686 130 G HA3 0.215 4.178 3.960 0.004 0.000 0.686 130 G C -0.373 174.475 174.900 -0.087 0.000 1.195 130 G CA -0.513 44.517 45.100 -0.116 0.000 0.776 130 G HN 1.716 nan 8.290 nan 0.000 0.654 131 R N 0.954 121.428 120.500 -0.043 0.000 2.489 131 R HA 0.490 4.832 4.340 0.004 0.000 0.287 131 R C 1.275 177.545 176.300 -0.050 0.000 1.053 131 R CA 0.659 56.739 56.100 -0.033 0.000 1.036 131 R CB 0.730 31.021 30.300 -0.014 0.000 0.966 131 R HN 2.569 nan 8.270 nan 0.000 0.432 132 G N 1.752 110.521 108.800 -0.052 0.000 2.162 132 G HA2 -0.316 3.646 3.960 0.004 0.000 0.260 132 G HA3 -0.316 3.646 3.960 0.004 0.000 0.260 132 G C -0.155 174.697 174.900 -0.080 0.000 0.976 132 G CA 0.442 45.507 45.100 -0.059 0.000 0.655 132 G HN 0.825 nan 8.290 nan 0.000 0.533 133 D N -0.166 120.169 120.400 -0.108 0.000 2.423 133 D HA 0.411 5.053 4.640 0.004 0.000 0.238 133 D C 0.479 176.702 176.300 -0.129 0.000 1.142 133 D CA 0.105 54.022 54.000 -0.139 0.000 0.884 133 D CB 1.177 41.850 40.800 -0.211 0.000 1.199 133 D HN 0.166 nan 8.370 nan 0.000 0.438 134 V N 4.794 124.635 119.914 -0.121 0.000 2.370 134 V HA 0.197 4.320 4.120 0.004 0.000 0.283 134 V C 0.189 176.220 176.094 -0.105 0.000 1.023 134 V CA -0.832 61.408 62.300 -0.100 0.000 0.857 134 V CB 1.411 33.189 31.823 -0.075 0.000 0.985 134 V HN 0.479 nan 8.190 nan 0.000 0.443 135 L N 5.391 126.558 121.223 -0.093 0.000 2.342 135 L HA 0.213 4.556 4.340 0.004 0.000 0.285 135 L C 1.480 178.377 176.870 0.045 0.000 1.095 135 L CA 0.077 54.864 54.840 -0.088 0.000 0.843 135 L CB 1.223 43.214 42.059 -0.113 0.000 1.201 135 L HN 0.884 nan 8.230 nan 0.000 0.445 136 S N 0.991 116.690 115.700 -0.003 0.000 2.478 136 S HA 0.019 4.491 4.470 0.004 0.000 0.222 136 S C 0.850 175.392 174.600 -0.096 0.000 1.008 136 S CA 0.157 58.385 58.200 0.046 0.000 0.928 136 S CB 0.216 63.416 63.200 -0.000 0.000 0.781 136 S HN 0.549 nan 8.310 nan 0.000 0.518 137 S N 2.370 117.986 115.700 -0.139 0.000 2.395 137 S HA 0.486 4.958 4.470 0.004 0.000 0.207 137 S C -2.325 172.190 174.600 -0.141 0.000 1.454 137 S CA -1.524 56.590 58.200 -0.142 0.000 1.211 137 S CB 1.082 64.251 63.200 -0.052 0.000 1.093 137 S HN 0.042 nan 8.310 nan 0.000 0.472 138 P HA -0.132 nan 4.420 nan 0.000 0.218 138 P C 1.746 179.070 177.300 0.040 0.000 1.148 138 P CA 1.253 64.214 63.100 -0.232 0.000 0.822 138 P CB -0.310 31.093 31.700 -0.494 0.000 0.784 139 V N -1.807 118.204 119.914 0.161 0.000 2.343 139 V HA -0.252 3.870 4.120 0.004 0.000 0.247 139 V C 2.261 178.462 176.094 0.177 0.000 1.051 139 V CA 1.634 64.072 62.300 0.229 0.000 1.036 139 V CB -2.000 29.901 31.823 0.131 0.000 0.654 139 V HN 0.069 nan 8.190 nan 0.000 0.451 140 Q N 1.058 120.936 119.800 0.130 0.000 2.224 140 Q HA 0.003 4.346 4.340 0.004 0.000 0.203 140 Q C 2.379 178.530 176.000 0.251 0.000 0.970 140 Q CA 1.325 57.234 55.803 0.177 0.000 0.865 140 Q CB -0.518 28.305 28.738 0.142 0.000 0.922 140 Q HN 0.788 nan 8.270 nan 0.000 0.445 141 G N 1.064 109.949 108.800 0.141 0.000 2.450 141 G HA2 -0.264 3.698 3.960 0.004 0.000 0.220 141 G HA3 -0.264 3.698 3.960 0.004 0.000 0.220 141 G C 1.484 176.521 174.900 0.229 0.000 1.130 141 G CA 0.857 46.017 45.100 0.099 0.000 0.760 141 G HN 0.419 nan 8.290 nan 0.000 0.557 142 A N 0.527 123.493 122.820 0.242 0.000 1.972 142 A HA 0.053 4.376 4.320 0.004 0.000 0.219 142 A C 2.280 180.018 177.584 0.256 0.000 1.169 142 A CA 1.245 53.431 52.037 0.249 0.000 0.635 142 A CB -0.362 18.785 19.000 0.246 0.000 0.810 142 A HN 0.326 nan 8.150 nan 0.000 0.446 143 L N -1.454 119.942 121.223 0.288 0.000 2.187 143 L HA -0.157 4.185 4.340 0.004 0.000 0.213 143 L C 2.016 179.042 176.870 0.260 0.000 1.100 143 L CA 1.507 56.495 54.840 0.246 0.000 0.765 143 L CB -1.434 40.762 42.059 0.229 0.000 0.904 143 L HN 0.665 nan 8.230 nan 0.000 0.437 144 W N -0.351 121.029 121.300 0.133 0.000 2.402 144 W HA -0.028 4.635 4.660 0.005 0.000 0.286 144 W C 2.522 179.107 176.519 0.109 0.000 1.221 144 W CA 1.159 58.594 57.345 0.149 0.000 1.257 144 W CB -1.220 28.333 29.460 0.155 0.000 1.120 144 W HN 0.211 nan 8.180 nan 0.000 0.551 145 G N 0.279 109.258 108.800 0.298 0.000 2.402 145 G HA2 -0.236 3.726 3.960 0.004 0.000 0.216 145 G HA3 -0.236 3.726 3.960 0.004 0.000 0.216 145 G C 1.482 176.440 174.900 0.097 0.000 1.162 145 G CA 1.062 46.269 45.100 0.179 0.000 0.777 145 G HN 0.206 nan 8.290 nan 0.000 0.539 146 L N 1.645 122.915 121.223 0.079 0.000 2.012 146 L HA 0.109 4.451 4.340 0.004 0.000 0.210 146 L C 2.773 179.569 176.870 -0.123 0.000 1.073 146 L CA 2.526 57.366 54.840 0.000 0.000 0.748 146 L CB -1.037 41.038 42.059 0.027 0.000 0.891 146 L HN 0.160 nan 8.230 nan 0.000 0.431 147 G N -0.922 107.810 108.800 -0.113 0.000 2.418 147 G HA2 -0.264 3.698 3.960 0.004 0.000 0.217 147 G HA3 -0.264 3.698 3.960 0.004 0.000 0.217 147 G C 1.755 176.311 174.900 -0.574 0.000 1.158 147 G CA 0.765 45.629 45.100 -0.392 0.000 0.771 147 G HN 0.406 nan 8.290 nan 0.000 0.545 148 R N -0.315 120.084 120.500 -0.168 0.000 2.120 148 R HA -0.025 4.317 4.340 0.004 0.000 0.234 148 R C 2.620 178.777 176.300 -0.238 0.000 1.123 148 R CA 1.066 57.094 56.100 -0.120 0.000 0.975 148 R CB -0.345 30.018 30.300 0.104 0.000 0.866 148 R HN 0.338 nan 8.270 nan 0.000 0.446 149 V N 1.164 120.956 119.914 -0.204 0.000 2.453 149 V HA -0.198 3.924 4.120 0.004 0.000 0.247 149 V C 2.197 178.091 176.094 -0.332 0.000 1.048 149 V CA 1.497 63.686 62.300 -0.186 0.000 1.049 149 V CB -0.351 31.424 31.823 -0.081 0.000 0.672 149 V HN 0.269 nan 8.190 nan 0.000 0.457 150 I N 1.155 121.417 120.570 -0.512 0.000 2.264 150 I HA -0.216 3.956 4.170 0.004 0.000 0.248 150 I C 2.566 178.245 176.117 -0.730 0.000 1.111 150 I CA 1.819 62.763 61.300 -0.594 0.000 1.382 150 I CB -0.904 36.562 38.000 -0.889 0.000 1.060 150 I HN 0.424 nan 8.210 nan 0.000 0.418 151 G N 0.838 108.948 108.800 -1.150 0.000 2.432 151 G HA2 -0.153 3.810 3.960 0.004 0.000 0.219 151 G HA3 -0.153 3.810 3.960 0.004 0.000 0.219 151 G C 1.693 176.384 174.900 -0.349 0.000 1.135 151 G CA 0.410 45.045 45.100 -0.774 0.000 0.767 151 G HN 0.290 nan 8.290 nan 0.000 0.550 152 L N -0.333 120.679 121.223 -0.351 0.000 2.179 152 L HA 0.103 4.445 4.340 0.004 0.000 0.208 152 L C 2.725 179.425 176.870 -0.283 0.000 1.096 152 L CA 0.850 55.507 54.840 -0.305 0.000 0.779 152 L CB -0.142 41.757 42.059 -0.266 0.000 0.922 152 L HN 0.240 nan 8.230 nan 0.000 0.443 153 E N -1.293 118.716 120.200 -0.320 0.000 2.216 153 E HA 0.013 4.365 4.350 0.004 0.000 0.192 153 E C 0.330 176.529 176.600 -0.668 0.000 0.973 153 E CA 0.471 56.599 56.400 -0.454 0.000 0.851 153 E CB 0.410 29.829 29.700 -0.469 0.000 0.804 153 E HN 0.491 nan 8.360 nan 0.000 0.477 154 H N 0.021 119.013 119.070 -0.130 0.000 2.624 154 H HA 0.152 4.710 4.556 0.003 0.000 0.233 154 H C -1.899 173.412 175.328 -0.028 0.000 1.376 154 H CA -1.453 54.555 56.048 -0.065 0.000 1.137 154 H CB 0.698 30.435 29.762 -0.041 0.000 1.867 154 H HN 0.125 nan 8.280 nan 0.000 0.547 155 P HA -0.118 nan 4.420 nan 0.000 0.222 155 P C 0.817 178.154 177.300 0.062 0.000 1.147 155 P CA 1.029 64.144 63.100 0.025 0.000 0.790 155 P CB 0.552 32.223 31.700 -0.048 0.000 0.780 156 D N -0.020 120.412 120.400 0.053 0.000 2.323 156 D HA -0.038 4.604 4.640 0.004 0.000 0.209 156 D C 1.643 177.968 176.300 0.042 0.000 0.973 156 D CA 0.635 54.657 54.000 0.037 0.000 0.874 156 D CB 0.072 40.888 40.800 0.026 0.000 0.930 156 D HN 0.467 nan 8.370 nan 0.000 0.521 157 R N -0.659 119.890 120.500 0.082 0.000 2.577 157 R HA 0.140 4.482 4.340 0.004 0.000 0.344 157 R C 0.207 176.563 176.300 0.093 0.000 1.037 157 R CA -0.511 55.626 56.100 0.061 0.000 1.102 157 R CB -0.161 30.170 30.300 0.050 0.000 1.313 157 R HN 0.016 nan 8.270 nan 0.000 0.561 158 W N 1.238 122.449 121.300 -0.149 0.000 2.429 158 W HA 0.397 5.059 4.660 0.003 0.000 0.314 158 W C -0.240 176.020 176.519 -0.432 0.000 1.062 158 W CA -0.527 56.661 57.345 -0.262 0.000 1.211 158 W CB 1.866 31.206 29.460 -0.200 0.000 1.305 158 W HN 0.193 nan 8.180 nan 0.000 0.476 159 G N 2.964 110.886 108.800 -1.462 0.000 2.518 159 G HA2 0.389 4.351 3.960 0.004 0.000 0.213 159 G HA3 0.389 4.351 3.960 0.004 0.000 0.213 159 G C 0.355 173.586 174.900 -2.781 0.000 1.226 159 G CA 0.913 44.680 45.100 -2.222 0.000 0.822 159 G HN 0.866 nan 8.290 nan 0.000 0.546 160 G N -1.565 105.417 108.800 -3.030 0.000 2.339 160 G HA2 0.332 4.294 3.960 0.004 0.000 0.275 160 G HA3 0.332 4.294 3.960 0.004 0.000 0.275 160 G C -1.909 172.475 174.900 -0.859 0.000 1.323 160 G CA -0.797 43.253 45.100 -1.750 0.000 0.927 160 G HN 0.515 nan 8.290 nan 0.000 0.486 161 L N 0.326 121.373 121.223 -0.294 0.000 2.362 161 L HA 0.787 5.129 4.340 0.004 0.000 0.275 161 L C -0.382 176.437 176.870 -0.086 0.000 0.998 161 L CA -0.704 53.904 54.840 -0.387 0.000 0.820 161 L CB 1.992 43.267 42.059 -1.306 0.000 1.270 161 L HN 0.481 nan 8.230 nan 0.000 0.415 162 I N 1.713 122.324 120.570 0.070 0.000 2.534 162 I HA 0.254 4.426 4.170 0.004 0.000 0.288 162 I C -1.129 175.161 176.117 0.290 0.000 1.077 162 I CA -0.463 60.984 61.300 0.246 0.000 1.051 162 I CB 2.376 40.457 38.000 0.136 0.000 1.234 162 I HN 0.517 nan 8.210 nan 0.000 0.425 163 D N 5.801 126.449 120.400 0.412 0.000 2.232 163 D HA 0.544 5.186 4.640 0.004 0.000 0.242 163 D C -0.780 175.518 176.300 -0.004 0.000 1.093 163 D CA -0.156 53.962 54.000 0.197 0.000 0.845 163 D CB 1.161 42.032 40.800 0.118 0.000 1.124 163 D HN 0.222 nan 8.370 nan 0.000 0.467 164 L N 5.422 126.569 121.223 -0.126 0.000 2.421 164 L HA 0.501 4.843 4.340 0.004 0.000 0.263 164 L C -1.764 175.016 176.870 -0.149 0.000 1.122 164 L CA -1.516 53.259 54.840 -0.109 0.000 0.804 164 L CB 0.898 42.902 42.059 -0.091 0.000 1.150 164 L HN 0.444 nan 8.230 nan 0.000 0.457 165 P HA 0.038 nan 4.420 nan 0.000 0.277 165 P C 0.014 177.273 177.300 -0.068 0.000 1.271 165 P CA -0.365 62.684 63.100 -0.085 0.000 0.795 165 P CB 0.716 32.386 31.700 -0.049 0.000 1.101 166 E N -0.221 119.948 120.200 -0.053 0.000 2.106 166 E HA -0.065 4.288 4.350 0.004 0.000 0.192 166 E C -0.153 176.471 176.600 0.041 0.000 0.984 166 E CA 1.312 57.705 56.400 -0.012 0.000 0.806 166 E CB -0.234 29.461 29.700 -0.009 0.000 0.750 166 E HN 0.366 nan 8.360 nan 0.000 0.458 167 T N 1.386 115.953 114.554 0.023 0.000 2.770 167 T HA 0.326 4.678 4.350 0.004 0.000 0.297 167 T C -0.405 174.317 174.700 0.036 0.000 0.997 167 T CA -0.410 61.712 62.100 0.037 0.000 0.949 167 T CB 1.861 70.743 68.868 0.022 0.000 0.941 167 T HN -0.205 nan 8.240 nan 0.000 0.457 168 V N 5.933 125.883 119.914 0.061 0.000 2.267 168 V HA 0.176 4.298 4.120 0.004 0.000 0.254 168 V C 0.518 176.634 176.094 0.036 0.000 1.144 168 V CA -0.865 61.468 62.300 0.056 0.000 0.992 168 V CB -0.578 31.302 31.823 0.096 0.000 1.199 168 V HN 0.872 nan 8.190 nan 0.000 0.493 169 D N 2.325 122.738 120.400 0.020 0.000 2.478 169 D HA 0.069 4.711 4.640 0.004 0.000 0.269 169 D C 1.441 177.745 176.300 0.007 0.000 1.232 169 D CA -0.156 53.851 54.000 0.012 0.000 1.059 169 D CB 0.838 41.642 40.800 0.006 0.000 1.104 169 D HN 0.188 nan 8.370 nan 0.000 0.566 170 T N -1.730 112.825 114.554 0.002 0.000 2.867 170 T HA -0.155 4.197 4.350 0.004 0.000 0.268 170 T C 1.803 176.500 174.700 -0.005 0.000 1.057 170 T CA 1.618 63.717 62.100 -0.002 0.000 1.136 170 T CB -0.297 68.569 68.868 -0.004 0.000 0.874 170 T HN 0.446 nan 8.240 nan 0.000 0.466 171 R N 0.040 120.538 120.500 -0.004 0.000 2.081 171 R HA 0.027 4.369 4.340 0.004 0.000 0.235 171 R C 2.582 178.878 176.300 -0.007 0.000 1.131 171 R CA 1.474 57.570 56.100 -0.006 0.000 0.960 171 R CB -0.575 29.722 30.300 -0.005 0.000 0.856 171 R HN 0.430 nan 8.270 nan 0.000 0.436 172 A N 0.629 123.448 122.820 -0.003 0.000 1.898 172 A HA -0.056 4.266 4.320 0.004 0.000 0.216 172 A C 2.358 179.939 177.584 -0.004 0.000 1.181 172 A CA 1.513 53.549 52.037 -0.002 0.000 0.620 172 A CB -0.797 18.206 19.000 0.005 0.000 0.819 172 A HN 0.528 nan 8.150 nan 0.000 0.442 173 A N -0.047 122.773 122.820 -0.001 0.000 1.908 173 A HA 0.090 4.412 4.320 0.004 0.000 0.218 173 A C 2.481 180.051 177.584 -0.024 0.000 1.181 173 A CA 2.299 54.332 52.037 -0.007 0.000 0.627 173 A CB -0.979 18.019 19.000 -0.004 0.000 0.818 173 A HN 1.081 nan 8.150 nan 0.000 0.445 174 A N -0.664 122.142 122.820 -0.023 0.000 1.968 174 A HA -0.062 4.260 4.320 0.004 0.000 0.217 174 A C 2.196 179.756 177.584 -0.039 0.000 1.169 174 A CA 1.320 53.338 52.037 -0.031 0.000 0.638 174 A CB -0.377 18.610 19.000 -0.023 0.000 0.812 174 A HN 0.540 nan 8.150 nan 0.000 0.446 175 R N -1.016 119.465 120.500 -0.032 0.000 2.081 175 R HA -0.112 4.230 4.340 0.004 0.000 0.235 175 R C 2.109 178.370 176.300 -0.065 0.000 1.131 175 R CA 1.480 57.559 56.100 -0.036 0.000 0.960 175 R CB -0.526 29.763 30.300 -0.019 0.000 0.856 175 R HN 0.505 nan 8.270 nan 0.000 0.436 176 L N 0.793 121.976 121.223 -0.066 0.000 1.994 176 L HA -0.175 4.167 4.340 0.004 0.000 0.208 176 L C 2.315 179.093 176.870 -0.154 0.000 1.071 176 L CA 2.469 57.244 54.840 -0.108 0.000 0.745 176 L CB -0.970 41.048 42.059 -0.068 0.000 0.892 176 L HN 0.320 nan 8.230 nan 0.000 0.431 177 T N -3.391 111.096 114.554 -0.113 0.000 2.833 177 T HA -0.057 4.295 4.350 0.004 0.000 0.269 177 T C 1.990 176.612 174.700 -0.131 0.000 1.054 177 T CA 0.852 62.878 62.100 -0.124 0.000 1.135 177 T CB -1.564 67.251 68.868 -0.089 0.000 0.869 177 T HN 0.425 nan 8.240 nan 0.000 0.466 178 G N 2.076 110.815 108.800 -0.102 0.000 2.491 178 G HA2 -0.132 3.831 3.960 0.004 0.000 0.218 178 G HA3 -0.132 3.831 3.960 0.004 0.000 0.218 178 G C 1.519 176.357 174.900 -0.104 0.000 1.180 178 G CA 1.008 46.058 45.100 -0.083 0.000 0.774 178 G HN 0.533 nan 8.290 nan 0.000 0.562 179 L N -0.009 121.124 121.223 -0.150 0.000 2.083 179 L HA -0.002 4.340 4.340 0.004 0.000 0.209 179 L C 2.896 179.572 176.870 -0.323 0.000 1.083 179 L CA 0.483 55.195 54.840 -0.214 0.000 0.752 179 L CB -0.380 41.502 42.059 -0.295 0.000 0.899 179 L HN 0.180 nan 8.230 nan 0.000 0.433 180 L N -0.531 120.457 121.223 -0.392 0.000 2.131 180 L HA -0.173 4.169 4.340 0.004 0.000 0.210 180 L C 2.831 179.679 176.870 -0.036 0.000 1.092 180 L CA 0.952 55.564 54.840 -0.380 0.000 0.759 180 L CB -0.709 41.152 42.059 -0.330 0.000 0.903 180 L HN 0.251 nan 8.230 nan 0.000 0.435 181 A N -0.901 121.872 122.820 -0.079 0.000 1.898 181 A HA -0.144 4.178 4.320 0.004 0.000 0.216 181 A C 0.490 178.130 177.584 0.092 0.000 1.181 181 A CA 1.379 53.401 52.037 -0.026 0.000 0.620 181 A CB -0.146 18.803 19.000 -0.085 0.000 0.819 181 A HN 0.437 nan 8.150 nan 0.000 0.442 182 D N -3.773 116.656 120.400 0.048 0.000 2.804 182 D HA 0.525 5.167 4.640 0.004 0.000 0.209 182 D C -0.281 176.052 176.300 0.056 0.000 1.314 182 D CA 0.295 54.341 54.000 0.076 0.000 0.894 182 D CB 1.228 42.064 40.800 0.061 0.000 1.615 182 D HN 0.083 nan 8.370 nan 0.000 0.571 183 A N 2.685 125.572 122.820 0.111 0.000 2.423 183 A HA 0.561 4.883 4.320 0.004 0.000 0.246 183 A C 1.579 179.231 177.584 0.113 0.000 1.278 183 A CA 0.423 52.530 52.037 0.116 0.000 0.903 183 A CB -0.339 18.817 19.000 0.260 0.000 0.997 183 A HN 1.226 nan 8.150 nan 0.000 0.510 184 G N -1.195 107.659 108.800 0.090 0.000 2.225 184 G HA2 0.082 4.045 3.960 0.004 0.000 0.267 184 G HA3 0.082 4.045 3.960 0.004 0.000 0.267 184 G C 1.463 176.412 174.900 0.082 0.000 1.024 184 G CA 0.883 46.028 45.100 0.075 0.000 0.784 184 G HN 2.102 nan 8.290 nan 0.000 0.507 185 G N -1.848 107.011 108.800 0.097 0.000 2.159 185 G HA2 -0.223 3.739 3.960 0.004 0.000 0.256 185 G HA3 -0.223 3.739 3.960 0.004 0.000 0.256 185 G C 0.111 175.072 174.900 0.102 0.000 0.977 185 G CA 0.842 45.995 45.100 0.087 0.000 0.652 185 G HN 0.909 nan 8.290 nan 0.000 0.531 186 E N 0.501 120.782 120.200 0.134 0.000 2.242 186 E HA 0.512 4.864 4.350 0.004 0.000 0.275 186 E C 0.385 177.108 176.600 0.205 0.000 1.002 186 E CA 0.153 56.646 56.400 0.156 0.000 0.841 186 E CB 1.440 31.238 29.700 0.163 0.000 1.109 186 E HN 0.466 nan 8.360 nan 0.000 0.394 187 D N -0.049 120.457 120.400 0.177 0.000 2.567 187 D HA -0.011 4.631 4.640 0.004 0.000 0.268 187 D C -0.377 176.019 176.300 0.161 0.000 1.448 187 D CA -0.104 53.964 54.000 0.113 0.000 0.811 187 D CB 0.102 40.889 40.800 -0.022 0.000 1.192 187 D HN 0.207 nan 8.370 nan 0.000 0.488 188 Q N 0.871 120.823 119.800 0.254 0.000 2.589 188 Q HA 0.526 4.868 4.340 0.004 0.000 0.245 188 Q C -1.294 175.032 176.000 0.542 0.000 0.931 188 Q CA -0.298 55.739 55.803 0.391 0.000 0.730 188 Q CB 2.258 31.228 28.738 0.386 0.000 1.315 188 Q HN 0.110 nan 8.270 nan 0.000 0.469 189 L N 1.048 122.659 121.223 0.647 0.000 2.370 189 L HA 0.944 5.286 4.340 0.004 0.000 0.266 189 L C -0.754 176.464 176.870 0.581 0.000 1.002 189 L CA -0.860 54.315 54.840 0.559 0.000 0.818 189 L CB 2.142 44.402 42.059 0.335 0.000 1.325 189 L HN 0.518 nan 8.230 nan 0.000 0.418 190 A N 3.257 126.303 122.820 0.377 0.000 2.343 190 A HA 0.772 5.095 4.320 0.004 0.000 0.308 190 A C -0.854 176.757 177.584 0.044 0.000 1.092 190 A CA -0.390 51.694 52.037 0.079 0.000 0.751 190 A CB 0.775 19.576 19.000 -0.332 0.000 1.203 190 A HN 0.619 nan 8.150 nan 0.000 0.452 191 I N 3.281 123.860 120.570 0.015 0.000 2.342 191 I HA 0.416 4.588 4.170 0.004 0.000 0.291 191 I C 0.179 176.271 176.117 -0.042 0.000 1.010 191 I CA -0.428 60.871 61.300 -0.002 0.000 1.308 191 I CB 0.815 38.816 38.000 0.002 0.000 1.400 191 I HN 0.604 nan 8.210 nan 0.000 0.488 192 R N 3.432 123.909 120.500 -0.038 0.000 2.905 192 R HA 0.402 4.744 4.340 0.004 0.000 0.260 192 R C 0.902 177.182 176.300 -0.034 0.000 1.086 192 R CA -0.694 55.373 56.100 -0.056 0.000 0.978 192 R CB 1.049 31.303 30.300 -0.076 0.000 1.215 192 R HN 0.694 nan 8.270 nan 0.000 0.480 193 G N 0.047 108.826 108.800 -0.035 0.000 2.432 193 G HA2 -0.251 3.711 3.960 0.004 0.000 0.219 193 G HA3 -0.251 3.711 3.960 0.004 0.000 0.219 193 G C 1.063 175.953 174.900 -0.016 0.000 1.135 193 G CA 1.264 46.350 45.100 -0.023 0.000 0.767 193 G HN 0.568 nan 8.290 nan 0.000 0.550 194 S N -0.737 114.952 115.700 -0.018 0.000 2.527 194 S HA 0.474 4.947 4.470 0.004 0.000 0.222 194 S C 1.027 175.627 174.600 -0.000 0.000 0.985 194 S CA 0.722 58.917 58.200 -0.009 0.000 0.921 194 S CB 0.145 63.339 63.200 -0.010 0.000 0.772 194 S HN 1.308 nan 8.310 nan 0.000 0.529 195 G N -0.198 108.602 108.800 0.001 0.000 2.359 195 G HA2 0.315 4.277 3.960 0.004 0.000 0.293 195 G HA3 0.315 4.277 3.960 0.004 0.000 0.293 195 G C -1.580 173.333 174.900 0.021 0.000 1.300 195 G CA -0.509 44.599 45.100 0.013 0.000 0.888 195 G HN 0.409 nan 8.290 nan 0.000 0.541 196 V N 1.036 120.972 119.914 0.037 0.000 2.461 196 V HA 0.556 4.679 4.120 0.004 0.000 0.275 196 V C 0.519 176.672 176.094 0.099 0.000 1.047 196 V CA -0.262 62.075 62.300 0.062 0.000 0.955 196 V CB 0.712 32.570 31.823 0.059 0.000 0.988 196 V HN 0.592 nan 8.190 nan 0.000 0.471 197 L N 4.294 125.605 121.223 0.146 0.000 2.334 197 L HA 0.929 5.272 4.340 0.004 0.000 0.273 197 L C 0.149 177.263 176.870 0.406 0.000 1.013 197 L CA -0.561 54.429 54.840 0.251 0.000 0.816 197 L CB 1.809 44.024 42.059 0.260 0.000 1.278 197 L HN 0.700 nan 8.230 nan 0.000 0.431 198 A N 2.122 125.156 122.820 0.357 0.000 2.413 198 A HA 0.686 5.008 4.320 0.004 0.000 0.307 198 A C -0.814 176.721 177.584 -0.083 0.000 1.087 198 A CA -0.716 51.464 52.037 0.238 0.000 0.750 198 A CB 1.702 20.781 19.000 0.132 0.000 1.296 198 A HN 0.784 nan 8.150 nan 0.000 0.423 199 R N 0.922 121.151 120.500 -0.452 0.000 2.390 199 R HA 0.507 4.849 4.340 0.004 0.000 0.291 199 R C -0.809 175.175 176.300 -0.527 0.000 1.070 199 R CA -0.247 55.203 56.100 -1.083 0.000 1.014 199 R CB 0.465 30.138 30.300 -1.046 0.000 1.007 199 R HN 0.691 nan 8.270 nan 0.000 0.466 200 R N 3.527 123.690 120.500 -0.561 0.000 2.673 200 R HA 0.364 4.706 4.340 0.004 0.000 0.281 200 R C -1.416 174.679 176.300 -0.341 0.000 0.991 200 R CA -1.125 54.778 56.100 -0.330 0.000 0.896 200 R CB 1.538 31.691 30.300 -0.244 0.000 1.201 200 R HN 0.464 nan 8.270 nan 0.000 0.457 201 L N 1.308 122.371 121.223 -0.267 0.000 2.317 201 L HA 0.787 5.129 4.340 0.004 0.000 0.281 201 L C -0.827 175.929 176.870 -0.190 0.000 1.024 201 L CA -0.197 54.489 54.840 -0.258 0.000 0.810 201 L CB 1.660 43.551 42.059 -0.280 0.000 1.240 201 L HN 0.819 nan 8.230 nan 0.000 0.427 202 A N 3.182 125.917 122.820 -0.141 0.000 2.435 202 A HA 0.538 4.860 4.320 0.004 0.000 0.304 202 A C -0.973 176.690 177.584 0.132 0.000 1.064 202 A CA -0.683 51.324 52.037 -0.050 0.000 0.727 202 A CB 0.718 19.653 19.000 -0.109 0.000 1.284 202 A HN 0.760 nan 8.150 nan 0.000 0.415 203 H N 0.879 120.024 119.070 0.124 0.000 2.972 203 H HA 0.255 4.812 4.556 0.002 0.000 0.343 203 H C 1.014 176.366 175.328 0.040 0.000 1.054 203 H CA 1.226 57.232 56.048 -0.070 0.000 1.412 203 H CB 0.903 30.588 29.762 -0.128 0.000 1.385 203 H HN 0.847 nan 8.280 nan 0.000 0.600 204 A N 2.430 125.292 122.820 0.071 0.000 2.386 204 A HA 0.460 4.783 4.320 0.004 0.000 0.248 204 A C 0.420 177.981 177.584 -0.038 0.000 1.082 204 A CA -0.063 51.951 52.037 -0.037 0.000 0.789 204 A CB 0.144 19.066 19.000 -0.131 0.000 1.025 204 A HN 0.839 nan 8.150 nan 0.000 0.490 205 A N 2.430 125.208 122.820 -0.070 0.000 2.462 205 A HA 0.528 4.850 4.320 0.004 0.000 0.243 205 A C -2.117 175.430 177.584 -0.062 0.000 1.076 205 A CA -0.935 51.072 52.037 -0.049 0.000 0.773 205 A CB -0.808 18.165 19.000 -0.045 0.000 1.010 205 A HN 0.659 nan 8.150 nan 0.000 0.493 206 P HA 0.264 nan 4.420 nan 0.000 0.268 206 P C -0.123 177.151 177.300 -0.044 0.000 1.208 206 P CA 0.298 63.366 63.100 -0.053 0.000 0.777 206 P CB 0.537 32.206 31.700 -0.051 0.000 0.875 207 A N 2.412 125.209 122.820 -0.039 0.000 2.477 207 A HA 0.333 4.656 4.320 0.004 0.000 0.246 207 A C 0.139 177.709 177.584 -0.024 0.000 1.078 207 A CA -0.385 51.634 52.037 -0.030 0.000 0.770 207 A CB -0.285 18.702 19.000 -0.022 0.000 1.011 207 A HN 0.453 nan 8.150 nan 0.000 0.494 208 V N 1.667 121.569 119.914 -0.020 0.000 2.389 208 V HA 0.403 4.525 4.120 0.004 0.000 0.264 208 V C -2.513 173.575 176.094 -0.010 0.000 1.049 208 V CA -1.933 60.358 62.300 -0.015 0.000 0.932 208 V CB 0.166 31.980 31.823 -0.014 0.000 1.011 208 V HN 0.701 nan 8.190 nan 0.000 0.475 209 P HA 0.359 nan 4.420 nan 0.000 0.269 209 P C 1.098 178.397 177.300 -0.002 0.000 1.209 209 P CA 1.304 64.401 63.100 -0.005 0.000 0.776 209 P CB 0.911 32.607 31.700 -0.007 0.000 0.876 210 G N 1.726 110.527 108.800 0.001 0.000 2.148 210 G HA2 -0.277 3.685 3.960 0.004 0.000 0.254 210 G HA3 -0.277 3.685 3.960 0.004 0.000 0.254 210 G C 0.715 175.617 174.900 0.004 0.000 0.981 210 G CA 0.526 45.628 45.100 0.003 0.000 0.670 210 G HN 0.693 nan 8.290 nan 0.000 0.528 211 S N -0.534 115.168 115.700 0.003 0.000 2.578 211 S HA 0.573 5.045 4.470 0.004 0.000 0.231 211 S C 1.279 175.883 174.600 0.007 0.000 0.994 211 S CA 0.801 59.003 58.200 0.003 0.000 0.956 211 S CB 0.641 63.840 63.200 -0.002 0.000 0.870 211 S HN 1.571 nan 8.310 nan 0.000 0.494 212 G N 1.856 110.663 108.800 0.012 0.000 2.491 212 G HA2 0.379 4.341 3.960 0.004 0.000 0.238 212 G HA3 0.379 4.341 3.960 0.004 0.000 0.238 212 G C 0.309 175.221 174.900 0.021 0.000 1.277 212 G CA -0.377 44.734 45.100 0.019 0.000 0.851 212 G HN 0.563 nan 8.290 nan 0.000 0.573 213 K N 0.283 120.698 120.400 0.025 0.000 2.477 213 K HA 0.197 4.520 4.320 0.004 0.000 0.208 213 K C 0.858 177.481 176.600 0.038 0.000 1.117 213 K CA -0.578 55.725 56.287 0.026 0.000 1.039 213 K CB 0.481 32.992 32.500 0.019 0.000 0.937 213 K HN 0.353 nan 8.250 nan 0.000 0.570 214 R N 2.613 123.142 120.500 0.049 0.000 2.502 214 R HA 0.103 4.445 4.340 0.004 0.000 0.292 214 R C -1.922 174.422 176.300 0.074 0.000 0.998 214 R CA -1.252 54.889 56.100 0.069 0.000 1.056 214 R CB 0.096 30.447 30.300 0.085 0.000 0.939 214 R HN 0.116 nan 8.270 nan 0.000 0.411 215 P HA 0.116 nan 4.420 nan 0.000 0.269 215 P C -2.498 174.877 177.300 0.126 0.000 1.215 215 P CA -1.156 62.002 63.100 0.097 0.000 0.780 215 P CB -0.034 31.740 31.700 0.122 0.000 0.898 216 P HA -0.031 nan 4.420 nan 0.000 0.265 216 P C -0.411 177.037 177.300 0.247 0.000 1.187 216 P CA 0.170 63.345 63.100 0.126 0.000 0.766 216 P CB 0.166 31.901 31.700 0.059 0.000 0.820 217 V N 5.456 125.492 119.914 0.204 0.000 2.572 217 V HA 0.203 4.325 4.120 0.004 0.000 0.291 217 V C 0.831 177.083 176.094 0.264 0.000 1.039 217 V CA 0.540 62.966 62.300 0.209 0.000 1.055 217 V CB -0.406 31.500 31.823 0.138 0.000 0.969 217 V HN 0.855 nan 8.190 nan 0.000 0.482 218 H N 2.415 121.530 119.070 0.075 0.000 2.905 218 H HA 0.612 5.170 4.556 0.003 0.000 0.280 218 H C 0.258 175.631 175.328 0.075 0.000 1.445 218 H CA -0.319 55.769 56.048 0.066 0.000 1.165 218 H CB 1.007 30.803 29.762 0.056 0.000 1.857 218 H HN 1.036 nan 8.280 nan 0.000 0.567 219 G N 0.328 109.185 108.800 0.095 0.000 2.578 219 G HA2 -0.263 3.699 3.960 0.004 0.000 0.275 219 G HA3 -0.263 3.699 3.960 0.004 0.000 0.275 219 G C -0.588 174.339 174.900 0.045 0.000 1.271 219 G CA 0.262 45.384 45.100 0.036 0.000 0.941 219 G HN 0.811 nan 8.290 nan 0.000 0.564 220 S N -0.768 114.958 115.700 0.042 0.000 2.525 220 S HA 0.590 5.062 4.470 0.004 0.000 0.278 220 S C 0.089 174.673 174.600 -0.027 0.000 1.234 220 S CA -0.327 57.896 58.200 0.039 0.000 1.058 220 S CB 1.693 64.944 63.200 0.085 0.000 0.983 220 S HN 1.009 nan 8.310 nan 0.000 0.495 221 V N 4.008 123.892 119.914 -0.050 0.000 2.540 221 V HA 0.435 4.557 4.120 0.004 0.000 0.302 221 V C -0.646 175.431 176.094 -0.029 0.000 1.035 221 V CA -0.846 61.456 62.300 0.003 0.000 0.873 221 V CB 1.681 33.540 31.823 0.059 0.000 0.992 221 V HN 0.706 nan 8.190 nan 0.000 0.428 222 L N 6.421 127.655 121.223 0.017 0.000 2.264 222 L HA 0.636 4.979 4.340 0.004 0.000 0.289 222 L C -0.425 176.474 176.870 0.048 0.000 1.044 222 L CA 0.219 55.058 54.840 -0.002 0.000 0.807 222 L CB 1.459 43.518 42.059 0.001 0.000 1.192 222 L HN 0.463 nan 8.230 nan 0.000 0.425 223 V N 4.332 124.254 119.914 0.013 0.000 2.284 223 V HA 0.325 4.447 4.120 0.004 0.000 0.274 223 V C 0.452 176.546 176.094 -0.001 0.000 1.023 223 V CA -0.414 61.895 62.300 0.016 0.000 0.808 223 V CB 0.882 32.691 31.823 -0.023 0.000 1.035 223 V HN 0.894 nan 8.190 nan 0.000 0.445 224 T N 0.923 115.487 114.554 0.018 0.000 2.926 224 T HA 0.434 4.786 4.350 0.004 0.000 0.307 224 T C 1.289 175.973 174.700 -0.026 0.000 1.059 224 T CA 0.533 62.655 62.100 0.036 0.000 1.122 224 T CB 1.194 70.157 68.868 0.160 0.000 0.972 224 T HN 1.842 nan 8.240 nan 0.000 0.545 225 G N 1.585 110.375 108.800 -0.017 0.000 2.258 225 G HA2 -0.197 3.765 3.960 0.004 0.000 0.274 225 G HA3 -0.197 3.765 3.960 0.004 0.000 0.274 225 G C 0.987 175.871 174.900 -0.028 0.000 1.021 225 G CA 0.353 45.436 45.100 -0.028 0.000 0.798 225 G HN 1.471 nan 8.290 nan 0.000 0.507 226 G N -0.505 108.282 108.800 -0.021 0.000 2.534 226 G HA2 0.114 4.077 3.960 0.004 0.000 0.217 226 G HA3 0.114 4.077 3.960 0.004 0.000 0.217 226 G C 1.655 176.541 174.900 -0.024 0.000 1.128 226 G CA 1.855 46.941 45.100 -0.025 0.000 0.784 226 G HN 1.270 nan 8.290 nan 0.000 0.542 227 T N -1.711 112.832 114.554 -0.018 0.000 3.113 227 T HA 0.356 4.708 4.350 0.004 0.000 0.256 227 T C 1.400 176.085 174.700 -0.025 0.000 1.131 227 T CA 0.345 62.435 62.100 -0.017 0.000 1.074 227 T CB 0.458 69.320 68.868 -0.009 0.000 0.944 227 T HN 0.222 nan 8.240 nan 0.000 0.516 228 G N 0.237 109.016 108.800 -0.034 0.000 2.525 228 G HA2 0.500 4.462 3.960 0.004 0.000 0.287 228 G HA3 0.500 4.462 3.960 0.004 0.000 0.287 228 G C 1.093 175.947 174.900 -0.077 0.000 1.350 228 G CA -0.364 44.707 45.100 -0.048 0.000 1.039 228 G HN 0.224 nan 8.290 nan 0.000 0.513 229 G N -0.607 108.127 108.800 -0.110 0.000 2.484 229 G HA2 -0.162 3.800 3.960 0.004 0.000 0.215 229 G HA3 -0.162 3.800 3.960 0.004 0.000 0.215 229 G C 1.674 176.433 174.900 -0.234 0.000 1.219 229 G CA 0.959 45.972 45.100 -0.144 0.000 0.791 229 G HN 0.470 nan 8.290 nan 0.000 0.550 230 I N 1.323 121.636 120.570 -0.427 0.000 2.315 230 I HA -0.039 4.134 4.170 0.004 0.000 0.248 230 I C 3.077 179.063 176.117 -0.218 0.000 1.117 230 I CA 0.855 61.764 61.300 -0.652 0.000 1.404 230 I CB -0.469 36.870 38.000 -1.103 0.000 1.071 230 I HN 0.263 nan 8.210 nan 0.000 0.419 231 G N 0.679 109.426 108.800 -0.090 0.000 2.440 231 G HA2 -0.202 3.760 3.960 0.004 0.000 0.218 231 G HA3 -0.202 3.760 3.960 0.004 0.000 0.218 231 G C 1.721 176.601 174.900 -0.033 0.000 1.154 231 G CA 0.868 45.962 45.100 -0.009 0.000 0.767 231 G HN 0.496 nan 8.290 nan 0.000 0.552 232 G N 0.265 109.037 108.800 -0.047 0.000 2.422 232 G HA2 -0.119 3.843 3.960 0.004 0.000 0.218 232 G HA3 -0.119 3.843 3.960 0.004 0.000 0.218 232 G C 1.960 176.848 174.900 -0.020 0.000 1.140 232 G CA 0.456 45.537 45.100 -0.032 0.000 0.775 232 G HN 0.254 nan 8.290 nan 0.000 0.545 233 R N 0.205 120.696 120.500 -0.015 0.000 2.090 233 R HA 0.062 4.405 4.340 0.004 0.000 0.228 233 R C 2.662 178.980 176.300 0.029 0.000 1.110 233 R CA 0.547 56.664 56.100 0.028 0.000 0.973 233 R CB -1.173 29.187 30.300 0.100 0.000 0.869 233 R HN 0.342 nan 8.270 nan 0.000 0.440 234 V N 1.527 121.451 119.914 0.017 0.000 2.295 234 V HA -0.234 3.888 4.120 0.004 0.000 0.246 234 V C 2.555 178.582 176.094 -0.112 0.000 1.049 234 V CA 1.922 64.206 62.300 -0.027 0.000 1.024 234 V CB -0.889 30.937 31.823 0.005 0.000 0.648 234 V HN 0.305 nan 8.190 nan 0.000 0.447 235 A N 0.044 122.812 122.820 -0.087 0.000 1.883 235 A HA -0.292 4.030 4.320 0.004 0.000 0.217 235 A C 2.428 179.981 177.584 -0.051 0.000 1.186 235 A CA 2.221 54.209 52.037 -0.083 0.000 0.624 235 A CB -0.643 18.325 19.000 -0.053 0.000 0.822 235 A HN 0.491 nan 8.150 nan 0.000 0.444 236 R N -0.470 120.015 120.500 -0.026 0.000 2.091 236 R HA -0.142 4.200 4.340 0.004 0.000 0.238 236 R C 2.359 178.656 176.300 -0.005 0.000 1.136 236 R CA 1.714 57.809 56.100 -0.008 0.000 0.959 236 R CB -0.272 30.030 30.300 0.004 0.000 0.856 236 R HN 0.536 nan 8.270 nan 0.000 0.437 237 R N 0.151 120.646 120.500 -0.008 0.000 2.092 237 R HA -0.038 4.304 4.340 0.004 0.000 0.231 237 R C 2.442 178.734 176.300 -0.012 0.000 1.119 237 R CA 1.199 57.300 56.100 0.002 0.000 0.970 237 R CB -0.255 30.054 30.300 0.016 0.000 0.864 237 R HN 0.266 nan 8.270 nan 0.000 0.440 238 L N 0.146 121.335 121.223 -0.056 0.000 2.042 238 L HA -0.191 4.152 4.340 0.004 0.000 0.210 238 L C 2.673 179.541 176.870 -0.003 0.000 1.076 238 L CA 1.287 56.097 54.840 -0.050 0.000 0.749 238 L CB -0.614 41.374 42.059 -0.118 0.000 0.893 238 L HN 0.247 nan 8.230 nan 0.000 0.432 239 A N 0.159 122.977 122.820 -0.003 0.000 1.865 239 A HA -0.244 4.078 4.320 0.004 0.000 0.217 239 A C 2.153 179.752 177.584 0.025 0.000 1.191 239 A CA 1.864 53.911 52.037 0.017 0.000 0.623 239 A CB -0.524 18.484 19.000 0.013 0.000 0.826 239 A HN 0.455 nan 8.150 nan 0.000 0.444 240 E N -0.471 119.742 120.200 0.020 0.000 2.153 240 E HA -0.218 4.134 4.350 0.004 0.000 0.194 240 E C 2.062 178.682 176.600 0.033 0.000 0.988 240 E CA 1.346 57.761 56.400 0.025 0.000 0.811 240 E CB -0.158 29.555 29.700 0.023 0.000 0.746 240 E HN 0.745 nan 8.360 nan 0.000 0.466 241 Q N -1.206 118.617 119.800 0.038 0.000 2.451 241 Q HA 0.059 4.401 4.340 0.004 0.000 0.206 241 Q C 1.116 177.154 176.000 0.064 0.000 0.947 241 Q CA 0.610 56.444 55.803 0.052 0.000 0.937 241 Q CB 0.884 29.658 28.738 0.059 0.000 1.025 241 Q HN 0.393 nan 8.270 nan 0.000 0.511 242 G N -0.343 108.495 108.800 0.063 0.000 2.485 242 G HA2 -0.129 3.833 3.960 0.004 0.000 0.181 242 G HA3 -0.129 3.833 3.960 0.004 0.000 0.181 242 G C 0.166 175.123 174.900 0.095 0.000 0.999 242 G CA -0.387 44.761 45.100 0.080 0.000 0.721 242 G HN 0.416 nan 8.290 nan 0.000 0.486 243 A N 0.725 123.592 122.820 0.079 0.000 2.587 243 A HA 0.597 4.919 4.320 0.004 0.000 0.235 243 A C 1.705 179.341 177.584 0.087 0.000 1.044 243 A CA 1.459 53.542 52.037 0.077 0.000 0.754 243 A CB 0.490 19.517 19.000 0.044 0.000 0.968 243 A HN 1.739 nan 8.150 nan 0.000 0.509 244 A N 1.506 124.390 122.820 0.107 0.000 2.030 244 A HA 0.293 4.616 4.320 0.004 0.000 0.215 244 A C 0.859 178.540 177.584 0.161 0.000 1.164 244 A CA 1.619 53.724 52.037 0.114 0.000 0.697 244 A CB -0.133 18.933 19.000 0.110 0.000 0.827 244 A HN 1.210 nan 8.150 nan 0.000 0.457 245 H N -1.426 117.659 119.070 0.025 0.000 3.042 245 H HA 0.608 5.167 4.556 0.004 0.000 0.345 245 H C -1.811 173.526 175.328 0.016 0.000 1.052 245 H CA -1.049 55.011 56.048 0.019 0.000 1.311 245 H CB 0.526 30.300 29.762 0.019 0.000 1.810 245 H HN 0.060 nan 8.280 nan 0.000 0.505 246 L N 5.631 126.839 121.223 -0.024 0.000 2.287 246 L HA 0.475 4.817 4.340 0.004 0.000 0.287 246 L C -0.535 176.178 176.870 -0.262 0.000 1.022 246 L CA -1.111 53.641 54.840 -0.146 0.000 0.814 246 L CB 1.612 43.645 42.059 -0.042 0.000 1.217 246 L HN 0.426 nan 8.230 nan 0.000 0.420 247 V N 5.852 125.582 119.914 -0.307 0.000 2.311 247 V HA 0.361 4.483 4.120 0.004 0.000 0.275 247 V C 0.072 176.108 176.094 -0.097 0.000 1.022 247 V CA -0.375 61.787 62.300 -0.229 0.000 0.830 247 V CB 1.240 32.919 31.823 -0.240 0.000 1.012 247 V HN 0.507 nan 8.190 nan 0.000 0.452 248 L N 5.478 126.669 121.223 -0.053 0.000 2.296 248 L HA 0.751 5.093 4.340 0.004 0.000 0.286 248 L C 0.430 177.294 176.870 -0.010 0.000 1.023 248 L CA -0.246 54.578 54.840 -0.027 0.000 0.812 248 L CB 1.964 44.011 42.059 -0.020 0.000 1.223 248 L HN 0.735 nan 8.230 nan 0.000 0.421 249 T N -0.525 114.029 114.554 -0.001 0.000 2.930 249 T HA 0.889 5.241 4.350 0.004 0.000 0.290 249 T C -0.320 174.388 174.700 0.013 0.000 1.052 249 T CA -0.600 61.507 62.100 0.011 0.000 1.017 249 T CB 2.181 71.063 68.868 0.023 0.000 1.137 249 T HN 0.746 nan 8.240 nan 0.000 0.511 250 S N 0.421 116.132 115.700 0.018 0.000 2.627 250 S HA 0.408 4.880 4.470 0.004 0.000 0.268 250 S C 0.383 174.998 174.600 0.025 0.000 1.130 250 S CA -1.231 56.981 58.200 0.020 0.000 0.819 250 S CB 1.226 64.432 63.200 0.011 0.000 1.100 250 S HN 0.802 nan 8.310 nan 0.000 0.465 251 R N 0.233 120.750 120.500 0.029 0.000 2.148 251 R HA 0.134 4.476 4.340 0.004 0.000 0.227 251 R C 2.078 178.392 176.300 0.023 0.000 1.103 251 R CA 1.204 57.322 56.100 0.030 0.000 0.983 251 R CB -0.234 30.087 30.300 0.035 0.000 0.874 251 R HN 0.547 nan 8.270 nan 0.000 0.451 252 R N -0.144 120.367 120.500 0.019 0.000 2.210 252 R HA 0.090 4.433 4.340 0.004 0.000 0.203 252 R C 1.300 177.608 176.300 0.012 0.000 1.010 252 R CA 0.455 56.563 56.100 0.014 0.000 1.008 252 R CB 0.129 30.435 30.300 0.010 0.000 0.923 252 R HN 0.324 nan 8.270 nan 0.000 0.469 253 G N 0.941 109.749 108.800 0.013 0.000 2.660 253 G HA2 -0.466 3.496 3.960 0.004 0.000 0.321 253 G HA3 -0.466 3.496 3.960 0.004 0.000 0.321 253 G C 0.886 175.791 174.900 0.009 0.000 1.246 253 G CA 0.565 45.672 45.100 0.012 0.000 1.000 253 G HN 0.417 nan 8.290 nan 0.000 0.550 254 A N -0.596 122.231 122.820 0.011 0.000 2.216 254 A HA 0.220 4.542 4.320 0.004 0.000 0.214 254 A C 1.692 179.280 177.584 0.006 0.000 1.160 254 A CA 2.137 54.180 52.037 0.009 0.000 0.725 254 A CB -0.203 18.804 19.000 0.011 0.000 0.784 254 A HN 0.531 nan 8.150 nan 0.000 0.472 255 D N 0.130 120.533 120.400 0.006 0.000 2.328 255 D HA 0.302 4.945 4.640 0.004 0.000 0.221 255 D C 0.695 176.996 176.300 0.002 0.000 1.072 255 D CA 0.525 54.528 54.000 0.004 0.000 0.850 255 D CB 0.092 40.895 40.800 0.005 0.000 0.922 255 D HN 0.419 nan 8.370 nan 0.000 0.516 256 A N 1.784 124.605 122.820 0.002 0.000 2.407 256 A HA 0.370 4.693 4.320 0.004 0.000 0.248 256 A C -2.184 175.397 177.584 -0.004 0.000 1.082 256 A CA -0.956 51.080 52.037 -0.001 0.000 0.785 256 A CB -0.026 18.973 19.000 -0.001 0.000 1.020 256 A HN -0.105 nan 8.150 nan 0.000 0.489 257 P HA 0.211 nan 4.420 nan 0.000 0.262 257 P C 1.070 178.364 177.300 -0.010 0.000 1.182 257 P CA 1.952 65.046 63.100 -0.009 0.000 0.761 257 P CB 0.513 32.205 31.700 -0.013 0.000 0.795 258 G N 2.865 111.660 108.800 -0.008 0.000 2.184 258 G HA2 -0.370 3.592 3.960 0.004 0.000 0.264 258 G HA3 -0.370 3.592 3.960 0.004 0.000 0.264 258 G C 1.237 176.134 174.900 -0.005 0.000 0.975 258 G CA 0.529 45.625 45.100 -0.008 0.000 0.642 258 G HN 0.677 nan 8.290 nan 0.000 0.536 259 A N 0.224 123.042 122.820 -0.004 0.000 1.940 259 A HA 0.297 4.619 4.320 0.004 0.000 0.219 259 A C 2.821 180.406 177.584 0.002 0.000 1.176 259 A CA 2.827 54.864 52.037 -0.001 0.000 0.631 259 A CB -0.799 18.201 19.000 0.001 0.000 0.814 259 A HN 1.824 nan 8.150 nan 0.000 0.446 260 A N -0.656 122.165 122.820 0.002 0.000 1.872 260 A HA -0.118 4.204 4.320 0.004 0.000 0.214 260 A C 1.983 179.569 177.584 0.003 0.000 1.187 260 A CA 1.508 53.547 52.037 0.003 0.000 0.614 260 A CB -0.492 18.510 19.000 0.002 0.000 0.826 260 A HN 0.594 nan 8.150 nan 0.000 0.442 261 E N -0.448 119.753 120.200 0.001 0.000 2.051 261 E HA -0.185 4.167 4.350 0.004 0.000 0.192 261 E C 2.038 178.638 176.600 0.002 0.000 0.991 261 E CA 1.179 57.580 56.400 0.001 0.000 0.799 261 E CB -0.238 29.461 29.700 -0.001 0.000 0.748 261 E HN 0.634 nan 8.360 nan 0.000 0.449 262 L N 1.047 122.270 121.223 0.000 0.000 2.012 262 L HA -0.237 4.105 4.340 0.004 0.000 0.210 262 L C 2.738 179.611 176.870 0.005 0.000 1.073 262 L CA 1.446 56.286 54.840 0.000 0.000 0.748 262 L CB -0.204 41.853 42.059 -0.004 0.000 0.891 262 L HN 0.057 nan 8.230 nan 0.000 0.431 263 R N -0.134 120.370 120.500 0.007 0.000 2.091 263 R HA -0.206 4.137 4.340 0.004 0.000 0.238 263 R C 2.140 178.448 176.300 0.014 0.000 1.136 263 R CA 1.642 57.750 56.100 0.013 0.000 0.959 263 R CB -0.349 29.960 30.300 0.015 0.000 0.856 263 R HN 0.559 nan 8.270 nan 0.000 0.437 264 A N 0.702 123.528 122.820 0.010 0.000 1.929 264 A HA -0.169 4.153 4.320 0.004 0.000 0.216 264 A C 2.004 179.594 177.584 0.010 0.000 1.176 264 A CA 1.359 53.402 52.037 0.010 0.000 0.628 264 A CB -0.508 18.497 19.000 0.007 0.000 0.816 264 A HN 0.587 nan 8.150 nan 0.000 0.444 265 E N -0.289 119.915 120.200 0.008 0.000 2.070 265 E HA -0.232 4.121 4.350 0.004 0.000 0.197 265 E C 1.735 178.342 176.600 0.011 0.000 1.004 265 E CA 1.575 57.980 56.400 0.008 0.000 0.805 265 E CB -0.195 29.508 29.700 0.006 0.000 0.744 265 E HN 0.411 nan 8.360 nan 0.000 0.451 266 L N 1.242 122.472 121.223 0.012 0.000 2.046 266 L HA -0.152 4.191 4.340 0.004 0.000 0.208 266 L C 2.207 179.090 176.870 0.022 0.000 1.077 266 L CA 1.720 56.569 54.840 0.017 0.000 0.747 266 L CB -0.743 41.326 42.059 0.017 0.000 0.896 266 L HN 0.143 nan 8.230 nan 0.000 0.432 267 E N -0.919 119.294 120.200 0.022 0.000 2.150 267 E HA -0.208 4.144 4.350 0.004 0.000 0.193 267 E C 2.200 178.811 176.600 0.018 0.000 0.985 267 E CA 0.583 56.996 56.400 0.022 0.000 0.814 267 E CB -0.079 29.633 29.700 0.020 0.000 0.752 267 E HN 0.482 nan 8.360 nan 0.000 0.466 268 Q N 0.304 120.113 119.800 0.015 0.000 2.124 268 Q HA -0.112 4.230 4.340 0.004 0.000 0.202 268 Q C 2.195 178.204 176.000 0.015 0.000 0.977 268 Q CA 0.955 56.765 55.803 0.013 0.000 0.850 268 Q CB -0.127 28.617 28.738 0.010 0.000 0.901 268 Q HN 0.385 nan 8.270 nan 0.000 0.429 269 L N -0.472 120.761 121.223 0.017 0.000 2.633 269 L HA -0.045 4.297 4.340 0.004 0.000 0.235 269 L C 1.221 178.105 176.870 0.023 0.000 1.163 269 L CA 0.711 55.562 54.840 0.019 0.000 0.859 269 L CB -0.415 41.656 42.059 0.019 0.000 0.973 269 L HN 0.386 nan 8.230 nan 0.000 0.451 270 G N -0.633 108.181 108.800 0.023 0.000 2.141 270 G HA2 -0.218 3.744 3.960 0.004 0.000 0.231 270 G HA3 -0.218 3.744 3.960 0.004 0.000 0.231 270 G C 0.073 174.992 174.900 0.032 0.000 0.984 270 G CA -0.078 45.037 45.100 0.025 0.000 0.660 270 G HN 0.096 nan 8.290 nan 0.000 0.525 271 V N 0.979 120.916 119.914 0.038 0.000 2.532 271 V HA 0.554 4.676 4.120 0.004 0.000 0.295 271 V C 1.149 177.281 176.094 0.064 0.000 1.041 271 V CA -0.942 61.392 62.300 0.056 0.000 0.926 271 V CB 1.722 33.580 31.823 0.058 0.000 0.992 271 V HN 0.460 nan 8.190 nan 0.000 0.457 272 R N 2.454 123.002 120.500 0.081 0.000 2.537 272 R HA 0.406 4.748 4.340 0.004 0.000 0.280 272 R C -1.250 175.178 176.300 0.213 0.000 1.058 272 R CA -0.100 56.050 56.100 0.083 0.000 1.057 272 R CB 0.735 31.002 30.300 -0.055 0.000 0.973 272 R HN 0.547 nan 8.270 nan 0.000 0.438 273 V N 3.889 123.896 119.914 0.156 0.000 2.448 273 V HA 0.294 4.417 4.120 0.004 0.000 0.295 273 V C -0.321 175.871 176.094 0.163 0.000 1.025 273 V CA -0.636 61.753 62.300 0.148 0.000 0.859 273 V CB 2.039 33.905 31.823 0.072 0.000 0.988 273 V HN 0.822 nan 8.190 nan 0.000 0.431 274 T N 6.276 120.932 114.554 0.170 0.000 2.786 274 T HA 0.641 4.993 4.350 0.004 0.000 0.283 274 T C -0.336 174.394 174.700 0.049 0.000 0.992 274 T CA -0.131 62.049 62.100 0.134 0.000 0.954 274 T CB 0.896 69.896 68.868 0.220 0.000 0.934 274 T HN 0.406 nan 8.240 nan 0.000 0.440 275 I N 3.056 123.650 120.570 0.040 0.000 2.354 275 I HA 0.613 4.785 4.170 0.004 0.000 0.286 275 I C 0.131 176.262 176.117 0.023 0.000 1.007 275 I CA -0.828 60.485 61.300 0.022 0.000 1.167 275 I CB 1.217 39.228 38.000 0.018 0.000 1.320 275 I HN 0.630 nan 8.210 nan 0.000 0.458 276 A N 5.129 127.961 122.820 0.019 0.000 2.342 276 A HA 0.851 5.173 4.320 0.004 0.000 0.323 276 A C -0.166 177.430 177.584 0.020 0.000 1.125 276 A CA -0.624 51.426 52.037 0.022 0.000 0.785 276 A CB 1.335 20.349 19.000 0.023 0.000 1.221 276 A HN 0.764 nan 8.150 nan 0.000 0.463 277 A N 1.451 124.283 122.820 0.020 0.000 2.350 277 A HA 0.574 4.896 4.320 0.004 0.000 0.293 277 A C 0.182 177.780 177.584 0.024 0.000 1.231 277 A CA 0.240 52.289 52.037 0.021 0.000 0.883 277 A CB -1.203 17.808 19.000 0.018 0.000 1.133 277 A HN 2.186 nan 8.150 nan 0.000 0.533 278 C N 0.848 120.165 119.300 0.029 0.000 3.302 278 C HA 0.566 5.028 4.460 0.004 0.000 0.347 278 C C -0.804 174.212 174.990 0.044 0.000 1.218 278 C CA -1.095 57.943 59.018 0.034 0.000 1.234 278 C CB 0.912 28.672 27.740 0.033 0.000 1.551 278 C HN 0.786 nan 8.230 nan 0.000 0.501 279 D N 0.719 121.148 120.400 0.049 0.000 2.390 279 D HA 0.424 5.066 4.640 0.004 0.000 0.249 279 D C 1.151 177.501 176.300 0.082 0.000 1.144 279 D CA 0.640 54.677 54.000 0.062 0.000 0.880 279 D CB 2.007 42.843 40.800 0.060 0.000 1.182 279 D HN 0.901 nan 8.370 nan 0.000 0.451 280 A N 3.576 126.456 122.820 0.099 0.000 2.121 280 A HA 0.028 4.350 4.320 0.004 0.000 0.218 280 A C 1.815 179.497 177.584 0.162 0.000 1.154 280 A CA 1.358 53.475 52.037 0.132 0.000 0.679 280 A CB -0.138 18.972 19.000 0.182 0.000 0.795 280 A HN 0.594 nan 8.150 nan 0.000 0.458 281 A N -0.529 122.376 122.820 0.143 0.000 2.238 281 A HA 0.131 4.453 4.320 0.004 0.000 0.208 281 A C 0.685 178.433 177.584 0.274 0.000 1.177 281 A CA 0.622 52.763 52.037 0.173 0.000 0.804 281 A CB -0.230 18.825 19.000 0.091 0.000 0.823 281 A HN 0.355 nan 8.150 nan 0.000 0.482 282 D N 0.008 120.510 120.400 0.170 0.000 2.428 282 D HA 0.165 4.807 4.640 0.004 0.000 0.221 282 D C 1.140 177.428 176.300 -0.019 0.000 1.123 282 D CA -0.439 53.608 54.000 0.078 0.000 0.869 282 D CB 0.393 41.223 40.800 0.050 0.000 1.032 282 D HN 0.258 nan 8.370 nan 0.000 0.506 283 R N 2.669 123.025 120.500 -0.240 0.000 2.083 283 R HA -0.197 4.145 4.340 0.004 0.000 0.237 283 R C 1.005 177.191 176.300 -0.190 0.000 1.137 283 R CA 1.588 57.409 56.100 -0.465 0.000 0.951 283 R CB 0.287 30.086 30.300 -0.835 0.000 0.851 283 R HN 0.351 nan 8.270 nan 0.000 0.434 284 E N 0.086 120.212 120.200 -0.123 0.000 2.077 284 E HA -0.149 4.203 4.350 0.004 0.000 0.193 284 E C 1.785 178.363 176.600 -0.038 0.000 0.989 284 E CA 1.582 57.942 56.400 -0.065 0.000 0.800 284 E CB -0.249 29.426 29.700 -0.041 0.000 0.746 284 E HN 0.467 nan 8.360 nan 0.000 0.452 285 A N 0.521 123.326 122.820 -0.024 0.000 1.930 285 A HA -0.128 4.195 4.320 0.004 0.000 0.217 285 A C 2.132 179.717 177.584 0.001 0.000 1.175 285 A CA 1.239 53.275 52.037 -0.002 0.000 0.627 285 A CB -0.605 18.402 19.000 0.012 0.000 0.815 285 A HN 0.280 nan 8.150 nan 0.000 0.443 286 L N -0.040 121.181 121.223 -0.003 0.000 2.017 286 L HA -0.066 4.276 4.340 0.004 0.000 0.208 286 L C 2.606 179.476 176.870 -0.000 0.000 1.073 286 L CA 2.354 57.199 54.840 0.008 0.000 0.745 286 L CB -0.946 41.125 42.059 0.020 0.000 0.894 286 L HN 0.321 nan 8.230 nan 0.000 0.432 287 A N -0.397 122.411 122.820 -0.020 0.000 1.940 287 A HA -0.112 4.210 4.320 0.004 0.000 0.219 287 A C 2.459 180.041 177.584 -0.004 0.000 1.176 287 A CA 1.937 53.964 52.037 -0.017 0.000 0.631 287 A CB -1.204 17.776 19.000 -0.033 0.000 0.814 287 A HN 0.627 nan 8.150 nan 0.000 0.446 288 A N -0.776 122.043 122.820 -0.003 0.000 1.902 288 A HA -0.014 4.309 4.320 0.004 0.000 0.217 288 A C 2.055 179.648 177.584 0.016 0.000 1.181 288 A CA 1.691 53.731 52.037 0.005 0.000 0.623 288 A CB -0.552 18.451 19.000 0.005 0.000 0.818 288 A HN 0.427 nan 8.150 nan 0.000 0.443 289 L N -0.168 121.065 121.223 0.018 0.000 2.046 289 L HA -0.105 4.237 4.340 0.004 0.000 0.208 289 L C 2.391 179.281 176.870 0.033 0.000 1.077 289 L CA 1.536 56.393 54.840 0.028 0.000 0.747 289 L CB -0.696 41.378 42.059 0.025 0.000 0.896 289 L HN 0.410 nan 8.230 nan 0.000 0.432 290 L N -1.292 119.946 121.223 0.025 0.000 2.275 290 L HA -0.135 4.207 4.340 0.004 0.000 0.215 290 L C 2.334 179.220 176.870 0.027 0.000 1.119 290 L CA 0.889 55.745 54.840 0.026 0.000 0.790 290 L CB -0.736 41.335 42.059 0.019 0.000 0.919 290 L HN 0.275 nan 8.230 nan 0.000 0.443 291 A N 0.233 123.066 122.820 0.022 0.000 2.169 291 A HA -0.087 4.236 4.320 0.004 0.000 0.212 291 A C 1.734 179.333 177.584 0.024 0.000 1.153 291 A CA 0.780 52.828 52.037 0.018 0.000 0.756 291 A CB -0.219 18.788 19.000 0.011 0.000 0.813 291 A HN 0.586 nan 8.150 nan 0.000 0.471 292 E N -0.177 120.043 120.200 0.034 0.000 2.693 292 E HA 0.308 4.660 4.350 0.004 0.000 0.214 292 E C -0.456 176.175 176.600 0.052 0.000 0.990 292 E CA -0.474 55.948 56.400 0.036 0.000 1.047 292 E CB -0.206 29.514 29.700 0.033 0.000 1.039 292 E HN 0.447 nan 8.360 nan 0.000 0.475 293 L N 1.987 123.249 121.223 0.066 0.000 2.452 293 L HA 0.297 4.639 4.340 0.004 0.000 0.267 293 L C -1.938 174.963 176.870 0.053 0.000 1.188 293 L CA -1.917 52.981 54.840 0.097 0.000 0.821 293 L CB -0.062 42.063 42.059 0.111 0.000 1.102 293 L HN -0.010 nan 8.230 nan 0.000 0.470 294 P HA 0.082 nan 4.420 nan 0.000 0.271 294 P C -0.084 177.226 177.300 0.017 0.000 1.218 294 P CA -0.318 62.778 63.100 -0.008 0.000 0.780 294 P CB 0.634 32.298 31.700 -0.059 0.000 0.901 295 E N 1.255 121.462 120.200 0.010 0.000 2.097 295 E HA -0.231 4.121 4.350 0.004 0.000 0.196 295 E C 1.137 177.753 176.600 0.027 0.000 1.000 295 E CA 1.856 58.267 56.400 0.018 0.000 0.804 295 E CB -0.499 29.208 29.700 0.011 0.000 0.740 295 E HN 0.598 nan 8.360 nan 0.000 0.454 296 D N -0.527 119.887 120.400 0.024 0.000 2.328 296 D HA 0.111 4.753 4.640 0.004 0.000 0.226 296 D C -0.051 176.283 176.300 0.055 0.000 1.066 296 D CA 0.286 54.307 54.000 0.035 0.000 0.861 296 D CB 0.288 41.103 40.800 0.025 0.000 0.912 296 D HN 0.107 nan 8.370 nan 0.000 0.521 297 A N 1.270 124.125 122.820 0.058 0.000 3.410 297 A HA 0.393 4.716 4.320 0.004 0.000 0.276 297 A C -2.723 174.913 177.584 0.087 0.000 0.995 297 A CA -1.023 51.065 52.037 0.085 0.000 0.934 297 A CB 0.629 19.691 19.000 0.103 0.000 1.191 297 A HN 0.026 nan 8.150 nan 0.000 0.511 298 P HA 0.148 nan 4.420 nan 0.000 0.271 298 P C 0.139 177.456 177.300 0.028 0.000 1.233 298 P CA -0.173 62.958 63.100 0.050 0.000 0.789 298 P CB 0.819 32.546 31.700 0.045 0.000 0.951 299 L N 2.129 123.367 121.223 0.025 0.000 2.513 299 L HA 0.053 4.395 4.340 0.004 0.000 0.272 299 L C 1.400 178.257 176.870 -0.021 0.000 1.187 299 L CA 1.313 56.157 54.840 0.007 0.000 0.895 299 L CB -0.145 41.927 42.059 0.021 0.000 1.147 299 L HN 0.594 nan 8.230 nan 0.000 0.483 300 T N 1.168 115.686 114.554 -0.060 0.000 2.959 300 T HA 0.679 5.031 4.350 0.004 0.000 0.254 300 T C 0.310 174.998 174.700 -0.019 0.000 1.003 300 T CA 0.245 62.287 62.100 -0.097 0.000 0.950 300 T CB 0.262 68.933 68.868 -0.328 0.000 1.090 300 T HN 0.781 nan 8.240 nan 0.000 0.503 301 A N 0.452 123.285 122.820 0.023 0.000 2.589 301 A HA 0.693 5.015 4.320 0.004 0.000 0.296 301 A C -1.537 176.080 177.584 0.055 0.000 1.062 301 A CA -0.678 51.391 52.037 0.053 0.000 0.686 301 A CB 1.694 20.785 19.000 0.151 0.000 1.282 301 A HN 0.242 nan 8.150 nan 0.000 0.404 302 V N 1.273 121.153 119.914 -0.057 0.000 2.555 302 V HA 0.657 4.779 4.120 0.004 0.000 0.302 302 V C -1.332 174.538 176.094 -0.374 0.000 1.038 302 V CA -0.294 61.928 62.300 -0.131 0.000 0.887 302 V CB 1.383 33.068 31.823 -0.230 0.000 0.991 302 V HN 0.691 nan 8.190 nan 0.000 0.434 303 F N 2.895 122.716 119.950 -0.215 0.000 2.445 303 F HA 0.414 4.943 4.527 0.004 0.000 0.348 303 F C 0.040 175.592 175.800 -0.413 0.000 1.125 303 F CA -0.644 57.154 58.000 -0.337 0.000 0.983 303 F CB 1.124 39.974 39.000 -0.250 0.000 1.198 303 F HN 0.562 nan 8.300 nan 0.000 0.436 304 H N 1.609 120.350 119.070 -0.549 0.000 2.818 304 H HA 0.289 4.847 4.556 0.003 0.000 0.269 304 H C 0.481 175.535 175.328 -0.458 0.000 1.277 304 H CA -0.196 55.605 56.048 -0.411 0.000 1.290 304 H CB 1.084 30.635 29.762 -0.353 0.000 1.479 304 H HN 0.509 nan 8.280 nan 0.000 0.507 305 S N 2.937 118.343 115.700 -0.490 0.000 2.540 305 S HA 0.360 4.832 4.470 0.004 0.000 0.218 305 S C 0.623 175.091 174.600 -0.221 0.000 0.977 305 S CA 0.079 58.112 58.200 -0.278 0.000 0.918 305 S CB -0.221 62.936 63.200 -0.073 0.000 0.806 305 S HN 0.796 nan 8.310 nan 0.000 0.496 306 A N 0.931 123.532 122.820 -0.365 0.000 2.546 306 A HA 0.582 4.904 4.320 0.004 0.000 0.243 306 A C 0.733 178.206 177.584 -0.185 0.000 1.063 306 A CA 0.633 52.547 52.037 -0.205 0.000 0.757 306 A CB -0.436 18.510 19.000 -0.090 0.000 0.991 306 A HN 0.726 nan 8.150 nan 0.000 0.503 307 G N -0.318 108.455 108.800 -0.045 0.000 2.340 307 G HA2 0.607 4.570 3.960 0.004 0.000 0.298 307 G HA3 0.607 4.570 3.960 0.004 0.000 0.298 307 G C -1.012 173.923 174.900 0.059 0.000 1.498 307 G CA 0.088 45.201 45.100 0.023 0.000 0.847 307 G HN 2.092 nan 8.290 nan 0.000 0.594 308 V N -2.945 117.010 119.914 0.068 0.000 3.078 308 V HA 0.961 5.083 4.120 0.004 0.000 0.311 308 V C 0.527 176.611 176.094 -0.016 0.000 1.138 308 V CA -0.018 62.272 62.300 -0.017 0.000 1.007 308 V CB 1.428 33.117 31.823 -0.224 0.000 1.045 308 V HN 2.306 nan 8.190 nan 0.000 0.432 309 A N 0.337 123.044 122.820 -0.188 0.000 2.456 309 A HA 0.364 4.687 4.320 0.004 0.000 0.237 309 A C 0.733 178.146 177.584 -0.285 0.000 1.217 309 A CA 0.191 51.954 52.037 -0.457 0.000 0.962 309 A CB -0.317 18.155 19.000 -0.879 0.000 1.079 309 A HN 1.177 nan 8.150 nan 0.000 0.536 310 H N -1.562 117.439 119.070 -0.115 0.000 2.546 310 H HA 0.381 4.939 4.556 0.004 0.000 0.365 310 H C -0.471 174.829 175.328 -0.046 0.000 1.220 310 H CA 0.514 56.514 56.048 -0.080 0.000 1.386 310 H CB 0.638 30.367 29.762 -0.055 0.000 1.510 310 H HN 0.045 nan 8.280 nan 0.000 0.591 311 D N -0.020 120.453 120.400 0.121 0.000 2.800 311 D HA -0.162 4.480 4.640 0.004 0.000 0.232 311 D C -0.396 175.902 176.300 -0.002 0.000 1.137 311 D CA 0.871 54.911 54.000 0.067 0.000 0.718 311 D CB -0.887 39.983 40.800 0.117 0.000 1.084 311 D HN 0.674 nan 8.370 nan 0.000 0.432 312 D N -0.701 119.690 120.400 -0.015 0.000 2.478 312 D HA 0.822 5.464 4.640 0.004 0.000 0.269 312 D C -0.044 176.252 176.300 -0.007 0.000 1.232 312 D CA 0.411 54.404 54.000 -0.012 0.000 1.059 312 D CB 1.276 42.067 40.800 -0.016 0.000 1.104 312 D HN 0.265 nan 8.370 nan 0.000 0.566 313 A N 0.282 123.098 122.820 -0.006 0.000 2.608 313 A HA 0.565 4.887 4.320 0.004 0.000 0.292 313 A C -2.798 174.781 177.584 -0.007 0.000 1.066 313 A CA -1.115 50.918 52.037 -0.008 0.000 0.676 313 A CB 1.063 20.058 19.000 -0.009 0.000 1.277 313 A HN 0.328 nan 8.150 nan 0.000 0.413 314 P HA 0.118 nan 4.420 nan 0.000 0.267 314 P C 1.264 178.571 177.300 0.012 0.000 1.195 314 P CA -0.035 63.058 63.100 -0.012 0.000 0.773 314 P CB 0.448 32.139 31.700 -0.015 0.000 0.837 315 V N 2.164 122.095 119.914 0.028 0.000 2.317 315 V HA -0.337 3.785 4.120 0.004 0.000 0.251 315 V C 2.238 178.373 176.094 0.069 0.000 1.065 315 V CA 2.777 65.111 62.300 0.057 0.000 1.049 315 V CB -1.627 30.255 31.823 0.099 0.000 0.651 315 V HN 0.715 nan 8.190 nan 0.000 0.450 316 A N -1.025 121.869 122.820 0.123 0.000 2.119 316 A HA -0.144 4.179 4.320 0.004 0.000 0.217 316 A C 1.790 179.390 177.584 0.027 0.000 1.153 316 A CA 1.698 53.783 52.037 0.080 0.000 0.692 316 A CB -0.243 18.831 19.000 0.124 0.000 0.799 316 A HN 0.629 nan 8.150 nan 0.000 0.458 317 D N -1.655 118.755 120.400 0.017 0.000 2.473 317 D HA 0.124 4.766 4.640 0.004 0.000 0.230 317 D C 0.372 176.663 176.300 -0.015 0.000 1.097 317 D CA -0.335 53.664 54.000 -0.002 0.000 0.861 317 D CB -0.157 40.643 40.800 -0.001 0.000 1.114 317 D HN 0.328 nan 8.370 nan 0.000 0.500 318 L N 2.846 124.060 121.223 -0.014 0.000 2.615 318 L HA 0.035 4.378 4.340 0.004 0.000 0.284 318 L C 0.655 177.494 176.870 -0.052 0.000 1.237 318 L CA 0.598 55.421 54.840 -0.028 0.000 0.905 318 L CB 0.344 42.390 42.059 -0.021 0.000 1.149 318 L HN 0.023 nan 8.230 nan 0.000 0.499 319 T N 2.090 116.606 114.554 -0.065 0.000 2.912 319 T HA 0.357 4.709 4.350 0.004 0.000 0.280 319 T C 1.410 176.009 174.700 -0.168 0.000 0.989 319 T CA -0.740 61.300 62.100 -0.100 0.000 0.995 319 T CB 0.740 69.562 68.868 -0.077 0.000 1.077 319 T HN 0.582 nan 8.240 nan 0.000 0.531 320 L N 0.890 121.950 121.223 -0.273 0.000 2.131 320 L HA 0.100 4.442 4.340 0.004 0.000 0.210 320 L C 2.988 179.510 176.870 -0.580 0.000 1.092 320 L CA 1.485 56.005 54.840 -0.532 0.000 0.759 320 L CB -1.101 40.424 42.059 -0.889 0.000 0.903 320 L HN 0.997 nan 8.230 nan 0.000 0.435 321 G N -0.671 107.939 108.800 -0.317 0.000 2.418 321 G HA2 -0.251 3.712 3.960 0.004 0.000 0.217 321 G HA3 -0.251 3.712 3.960 0.004 0.000 0.217 321 G C 1.518 176.378 174.900 -0.066 0.000 1.158 321 G CA 0.357 45.407 45.100 -0.084 0.000 0.771 321 G HN 0.376 nan 8.290 nan 0.000 0.545 322 Q N -0.712 119.043 119.800 -0.075 0.000 2.050 322 Q HA -0.044 4.298 4.340 0.004 0.000 0.202 322 Q C 2.495 178.460 176.000 -0.058 0.000 0.980 322 Q CA 1.063 56.837 55.803 -0.049 0.000 0.840 322 Q CB -0.300 28.415 28.738 -0.039 0.000 0.898 322 Q HN 0.392 nan 8.270 nan 0.000 0.424 323 L N 1.356 122.525 121.223 -0.091 0.000 2.043 323 L HA -0.241 4.101 4.340 0.004 0.000 0.212 323 L C 1.691 178.523 176.870 -0.063 0.000 1.075 323 L CA 2.234 57.028 54.840 -0.076 0.000 0.752 323 L CB -0.645 41.348 42.059 -0.109 0.000 0.891 323 L HN 0.196 nan 8.230 nan 0.000 0.432 324 D N -0.968 119.380 120.400 -0.087 0.000 2.104 324 D HA -0.200 4.442 4.640 0.004 0.000 0.194 324 D C 2.099 178.395 176.300 -0.006 0.000 0.994 324 D CA 1.488 55.473 54.000 -0.024 0.000 0.830 324 D CB -0.054 40.777 40.800 0.052 0.000 0.959 324 D HN 0.455 nan 8.370 nan 0.000 0.452 325 A N -0.366 122.449 122.820 -0.009 0.000 2.015 325 A HA -0.032 4.290 4.320 0.004 0.000 0.219 325 A C 2.217 179.788 177.584 -0.023 0.000 1.163 325 A CA 0.731 52.762 52.037 -0.009 0.000 0.646 325 A CB -0.562 18.430 19.000 -0.013 0.000 0.806 325 A HN 0.360 nan 8.150 nan 0.000 0.448 326 L N -1.105 120.106 121.223 -0.020 0.000 2.240 326 L HA -0.075 4.267 4.340 0.004 0.000 0.211 326 L C 2.500 179.383 176.870 0.023 0.000 1.106 326 L CA 0.483 55.329 54.840 0.009 0.000 0.793 326 L CB -0.253 41.828 42.059 0.037 0.000 0.927 326 L HN 0.297 nan 8.230 nan 0.000 0.446 327 M N -0.825 118.774 119.600 -0.001 0.000 2.254 327 M HA -0.127 4.355 4.480 0.004 0.000 0.265 327 M C 2.267 178.551 176.300 -0.028 0.000 1.066 327 M CA 1.296 56.584 55.300 -0.022 0.000 1.123 327 M CB -1.049 31.525 32.600 -0.043 0.000 1.388 327 M HN 0.171 nan 8.290 nan 0.000 0.425 328 R N 0.711 121.204 120.500 -0.011 0.000 2.094 328 R HA -0.117 4.226 4.340 0.004 0.000 0.239 328 R C 1.915 178.222 176.300 0.012 0.000 1.137 328 R CA 2.041 58.137 56.100 -0.007 0.000 0.943 328 R CB -0.231 30.078 30.300 0.014 0.000 0.850 328 R HN 0.313 nan 8.270 nan 0.000 0.433 329 A N -0.197 122.648 122.820 0.042 0.000 2.235 329 A HA 0.021 4.343 4.320 0.004 0.000 0.208 329 A C 1.315 179.004 177.584 0.175 0.000 1.172 329 A CA 0.639 52.732 52.037 0.094 0.000 0.786 329 A CB 0.026 19.063 19.000 0.062 0.000 0.804 329 A HN 0.194 nan 8.150 nan 0.000 0.479 330 K N -1.074 119.395 120.400 0.114 0.000 2.386 330 K HA 0.257 4.579 4.320 0.004 0.000 0.237 330 K C 1.822 178.474 176.600 0.086 0.000 1.122 330 K CA 0.360 56.746 56.287 0.166 0.000 0.838 330 K CB -1.070 31.481 32.500 0.086 0.000 1.364 330 K HN 0.346 nan 8.250 nan 0.000 0.440 331 L N 1.933 123.080 121.223 -0.126 0.000 1.976 331 L HA -0.186 4.156 4.340 0.004 0.000 0.209 331 L C 2.233 178.885 176.870 -0.364 0.000 1.071 331 L CA 1.927 56.443 54.840 -0.540 0.000 0.746 331 L CB -0.615 41.015 42.059 -0.714 0.000 0.890 331 L HN 0.234 nan 8.230 nan 0.000 0.432 332 T N 0.088 114.481 114.554 -0.268 0.000 2.684 332 T HA -0.177 4.175 4.350 0.004 0.000 0.267 332 T C 1.854 176.294 174.700 -0.434 0.000 1.036 332 T CA 1.365 63.260 62.100 -0.341 0.000 1.148 332 T CB -0.512 68.222 68.868 -0.223 0.000 0.863 332 T HN 0.566 nan 8.240 nan 0.000 0.436 333 A N 1.508 124.225 122.820 -0.172 0.000 1.873 333 A HA 0.223 4.545 4.320 0.004 0.000 0.215 333 A C 2.676 180.167 177.584 -0.155 0.000 1.186 333 A CA 1.768 53.753 52.037 -0.087 0.000 0.616 333 A CB -1.189 17.855 19.000 0.073 0.000 0.823 333 A HN 0.504 nan 8.150 nan 0.000 0.442 334 A N -0.573 122.163 122.820 -0.140 0.000 1.933 334 A HA -0.159 4.164 4.320 0.004 0.000 0.218 334 A C 2.252 179.931 177.584 0.159 0.000 1.175 334 A CA 1.670 53.667 52.037 -0.066 0.000 0.628 334 A CB -0.493 18.572 19.000 0.108 0.000 0.814 334 A HN 0.534 nan 8.150 nan 0.000 0.444 335 R N -1.089 119.480 120.500 0.115 0.000 2.081 335 R HA -0.170 4.172 4.340 0.004 0.000 0.235 335 R C 2.002 178.411 176.300 0.182 0.000 1.131 335 R CA 1.862 58.062 56.100 0.167 0.000 0.960 335 R CB -0.408 29.920 30.300 0.046 0.000 0.856 335 R HN 0.811 nan 8.270 nan 0.000 0.436 336 H N -0.284 118.842 119.070 0.093 0.000 2.357 336 H HA -0.092 4.467 4.556 0.004 0.000 0.301 336 H C 2.193 177.564 175.328 0.072 0.000 1.082 336 H CA 1.352 57.437 56.048 0.061 0.000 1.342 336 H CB 0.043 29.825 29.762 0.032 0.000 1.389 336 H HN 0.154 nan 8.280 nan 0.000 0.511 337 L N -0.176 121.177 121.223 0.218 0.000 2.083 337 L HA -0.216 4.127 4.340 0.004 0.000 0.209 337 L C 2.613 179.681 176.870 0.331 0.000 1.083 337 L CA 1.420 56.398 54.840 0.230 0.000 0.752 337 L CB -0.416 41.725 42.059 0.136 0.000 0.899 337 L HN 0.386 nan 8.230 nan 0.000 0.433 338 H N 0.468 119.683 119.070 0.242 0.000 2.319 338 H HA -0.190 4.368 4.556 0.004 0.000 0.299 338 H C 2.102 177.408 175.328 -0.037 0.000 1.092 338 H CA 2.101 58.125 56.048 -0.039 0.000 1.302 338 H CB 0.061 29.808 29.762 -0.026 0.000 1.373 338 H HN 0.315 nan 8.280 nan 0.000 0.497 339 E N -0.010 120.079 120.200 -0.185 0.000 2.106 339 E HA -0.096 4.256 4.350 0.004 0.000 0.192 339 E C 2.177 178.684 176.600 -0.155 0.000 0.984 339 E CA 1.097 57.357 56.400 -0.232 0.000 0.806 339 E CB 0.025 29.720 29.700 -0.008 0.000 0.750 339 E HN 0.492 nan 8.360 nan 0.000 0.458 340 L N 0.575 121.765 121.223 -0.054 0.000 2.478 340 L HA -0.022 4.320 4.340 0.004 0.000 0.223 340 L C 2.141 178.987 176.870 -0.038 0.000 1.140 340 L CA 1.101 55.922 54.840 -0.032 0.000 0.842 340 L CB -0.202 41.861 42.059 0.008 0.000 0.953 340 L HN 0.275 nan 8.230 nan 0.000 0.452 341 T N -5.489 109.025 114.554 -0.067 0.000 3.040 341 T HA 0.251 4.604 4.350 0.004 0.000 0.266 341 T C 1.736 176.353 174.700 -0.139 0.000 1.005 341 T CA 0.421 62.487 62.100 -0.056 0.000 0.906 341 T CB 0.511 69.405 68.868 0.043 0.000 1.082 341 T HN 0.121 nan 8.240 nan 0.000 0.531 342 A N 2.668 125.343 122.820 -0.242 0.000 1.986 342 A HA -0.111 4.212 4.320 0.004 0.000 0.220 342 A C 1.936 179.437 177.584 -0.137 0.000 1.171 342 A CA 1.694 53.576 52.037 -0.258 0.000 0.640 342 A CB -0.551 18.236 19.000 -0.356 0.000 0.811 342 A HN 0.616 nan 8.150 nan 0.000 0.451 343 D N -0.661 119.677 120.400 -0.102 0.000 2.339 343 D HA 0.132 4.775 4.640 0.004 0.000 0.217 343 D C 1.167 177.443 176.300 -0.040 0.000 1.050 343 D CA 0.194 54.157 54.000 -0.061 0.000 0.856 343 D CB 0.160 40.931 40.800 -0.048 0.000 0.922 343 D HN 0.456 nan 8.370 nan 0.000 0.518 344 L N 0.437 121.637 121.223 -0.039 0.000 2.592 344 L HA 0.048 4.391 4.340 0.004 0.000 0.227 344 L C 0.192 177.058 176.870 -0.006 0.000 1.127 344 L CA -0.084 54.747 54.840 -0.015 0.000 0.884 344 L CB -0.198 41.858 42.059 -0.005 0.000 1.065 344 L HN -0.135 nan 8.230 nan 0.000 0.457 345 D N 0.871 121.261 120.400 -0.016 0.000 2.689 345 D HA -0.179 4.464 4.640 0.004 0.000 0.237 345 D C -0.175 176.134 176.300 0.015 0.000 1.148 345 D CA 0.248 54.246 54.000 -0.003 0.000 0.656 345 D CB -0.475 40.328 40.800 0.006 0.000 1.050 345 D HN -0.130 nan 8.370 nan 0.000 0.426 346 L N 0.820 122.051 121.223 0.014 0.000 2.483 346 L HA 0.128 4.470 4.340 0.004 0.000 0.275 346 L C 1.760 178.654 176.870 0.040 0.000 1.220 346 L CA 0.560 55.420 54.840 0.034 0.000 0.833 346 L CB 0.414 42.511 42.059 0.064 0.000 1.102 346 L HN 0.096 nan 8.230 nan 0.000 0.490 347 D N 1.099 121.527 120.400 0.047 0.000 2.234 347 D HA 0.141 4.783 4.640 0.004 0.000 0.205 347 D C 0.335 176.665 176.300 0.050 0.000 0.962 347 D CA 0.827 54.864 54.000 0.061 0.000 0.855 347 D CB 0.455 41.308 40.800 0.088 0.000 0.951 347 D HN 0.538 nan 8.370 nan 0.000 0.500 348 A N -0.069 122.771 122.820 0.034 0.000 2.517 348 A HA 0.556 4.879 4.320 0.004 0.000 0.297 348 A C -1.853 175.722 177.584 -0.015 0.000 1.050 348 A CA -0.644 51.378 52.037 -0.025 0.000 0.694 348 A CB 1.210 20.144 19.000 -0.110 0.000 1.277 348 A HN 0.020 nan 8.150 nan 0.000 0.400 349 F N 3.048 122.879 119.950 -0.197 0.000 2.771 349 F HA 0.572 5.101 4.527 0.003 0.000 0.365 349 F C -1.289 174.376 175.800 -0.226 0.000 1.169 349 F CA -0.415 57.468 58.000 -0.195 0.000 1.093 349 F CB 1.492 40.436 39.000 -0.092 0.000 1.363 349 F HN 0.376 nan 8.300 nan 0.000 0.496 350 V N 6.946 126.511 119.914 -0.581 0.000 2.384 350 V HA 0.471 4.594 4.120 0.004 0.000 0.287 350 V C -0.313 175.556 176.094 -0.376 0.000 1.020 350 V CA -0.702 61.341 62.300 -0.428 0.000 0.850 350 V CB 1.647 33.117 31.823 -0.588 0.000 0.987 350 V HN 0.570 nan 8.190 nan 0.000 0.436 351 L N 4.841 125.989 121.223 -0.124 0.000 2.333 351 L HA 0.585 4.927 4.340 0.004 0.000 0.280 351 L C -0.992 176.004 176.870 0.210 0.000 1.004 351 L CA -0.460 54.360 54.840 -0.032 0.000 0.820 351 L CB 1.707 43.775 42.059 0.014 0.000 1.247 351 L HN 0.409 nan 8.230 nan 0.000 0.416 352 F N 1.870 121.839 119.950 0.030 0.000 2.375 352 F HA 0.338 4.867 4.527 0.003 0.000 0.362 352 F C 0.846 176.661 175.800 0.025 0.000 1.129 352 F CA -0.334 57.698 58.000 0.053 0.000 1.154 352 F CB 1.076 40.231 39.000 0.259 0.000 1.205 352 F HN 0.463 nan 8.300 nan 0.000 0.513 353 S N 2.325 118.102 115.700 0.128 0.000 2.521 353 S HA 0.748 5.220 4.470 0.004 0.000 0.278 353 S C -0.239 174.405 174.600 0.072 0.000 1.140 353 S CA -0.255 57.969 58.200 0.041 0.000 1.028 353 S CB 1.428 64.626 63.200 -0.003 0.000 1.203 353 S HN 0.564 nan 8.310 nan 0.000 0.491 354 S N -1.922 113.802 115.700 0.040 0.000 2.550 354 S HA 0.536 5.009 4.470 0.004 0.000 0.270 354 S C 0.748 175.440 174.600 0.154 0.000 1.145 354 S CA -0.004 58.282 58.200 0.144 0.000 0.852 354 S CB 0.832 64.087 63.200 0.092 0.000 1.119 354 S HN 0.977 nan 8.310 nan 0.000 0.465 355 G N 1.753 110.693 108.800 0.233 0.000 2.479 355 G HA2 -0.014 3.949 3.960 0.004 0.000 0.220 355 G HA3 -0.014 3.949 3.960 0.004 0.000 0.220 355 G C 1.477 176.581 174.900 0.340 0.000 1.115 355 G CA 1.037 46.327 45.100 0.318 0.000 0.757 355 G HN 1.111 nan 8.290 nan 0.000 0.560 356 A N 0.976 123.962 122.820 0.276 0.000 1.940 356 A HA 0.229 4.551 4.320 0.004 0.000 0.219 356 A C 2.752 180.463 177.584 0.212 0.000 1.176 356 A CA 2.228 54.430 52.037 0.275 0.000 0.631 356 A CB -0.553 18.668 19.000 0.369 0.000 0.814 356 A HN 0.706 nan 8.150 nan 0.000 0.446 357 A N -0.963 121.937 122.820 0.133 0.000 1.898 357 A HA 0.153 4.475 4.320 0.004 0.000 0.214 357 A C 2.202 179.850 177.584 0.106 0.000 1.183 357 A CA 1.441 53.535 52.037 0.095 0.000 0.622 357 A CB -0.680 18.336 19.000 0.027 0.000 0.824 357 A HN 0.321 nan 8.150 nan 0.000 0.444 358 V N -1.405 118.551 119.914 0.070 0.000 2.323 358 V HA -0.163 3.960 4.120 0.004 0.000 0.244 358 V C 2.190 178.216 176.094 -0.114 0.000 1.041 358 V CA 1.930 64.186 62.300 -0.073 0.000 1.025 358 V CB -0.783 30.936 31.823 -0.174 0.000 0.656 358 V HN 0.584 nan 8.190 nan 0.000 0.451 359 F N 0.063 120.065 119.950 0.086 0.000 2.530 359 F HA 0.507 5.038 4.527 0.005 0.000 0.292 359 F C 1.410 177.396 175.800 0.309 0.000 1.109 359 F CA 0.791 58.886 58.000 0.159 0.000 1.450 359 F CB -0.204 38.848 39.000 0.086 0.000 1.114 359 F HN 0.279 nan 8.300 nan 0.000 0.560 360 G N 0.624 109.670 108.800 0.410 0.000 2.721 360 G HA2 0.075 4.037 3.960 0.004 0.000 0.686 360 G HA3 0.075 4.037 3.960 0.004 0.000 0.686 360 G C -0.699 174.410 174.900 0.349 0.000 1.236 360 G CA -0.376 44.906 45.100 0.304 0.000 0.786 360 G HN 0.376 nan 8.290 nan 0.000 0.616 361 S N 0.339 116.165 115.700 0.211 0.000 2.614 361 S HA 0.736 5.209 4.470 0.004 0.000 0.275 361 S C 0.566 175.206 174.600 0.068 0.000 1.161 361 S CA 0.669 58.968 58.200 0.165 0.000 0.969 361 S CB 1.051 64.357 63.200 0.176 0.000 1.059 361 S HN 2.245 nan 8.310 nan 0.000 0.482 362 G N 1.780 110.589 108.800 0.014 0.000 2.353 362 G HA2 0.439 4.401 3.960 0.004 0.000 0.239 362 G HA3 0.439 4.401 3.960 0.004 0.000 0.239 362 G C 1.238 176.123 174.900 -0.025 0.000 1.295 362 G CA 0.428 45.500 45.100 -0.046 0.000 0.884 362 G HN 1.974 nan 8.290 nan 0.000 0.537 363 G N 1.135 109.913 108.800 -0.036 0.000 2.176 363 G HA2 -0.256 3.706 3.960 0.004 0.000 0.253 363 G HA3 -0.256 3.706 3.960 0.004 0.000 0.253 363 G C 0.621 175.522 174.900 0.001 0.000 0.979 363 G CA 0.572 45.659 45.100 -0.022 0.000 0.641 363 G HN 0.812 nan 8.290 nan 0.000 0.530 364 Q N 0.010 119.827 119.800 0.029 0.000 2.318 364 Q HA 0.187 4.530 4.340 0.004 0.000 0.371 364 Q C -1.631 174.432 176.000 0.105 0.000 0.896 364 Q CA -1.198 54.654 55.803 0.081 0.000 1.134 364 Q CB 1.618 30.440 28.738 0.140 0.000 1.329 364 Q HN 0.416 nan 8.270 nan 0.000 0.413 365 P HA -0.150 nan 4.420 nan 0.000 0.216 365 P C 1.313 178.655 177.300 0.070 0.000 1.153 365 P CA 1.365 64.490 63.100 0.041 0.000 0.844 365 P CB 0.220 31.923 31.700 0.006 0.000 0.787 366 G N -0.941 107.904 108.800 0.075 0.000 2.402 366 G HA2 -0.286 3.676 3.960 0.004 0.000 0.216 366 G HA3 -0.286 3.676 3.960 0.004 0.000 0.216 366 G C 1.637 176.621 174.900 0.140 0.000 1.162 366 G CA 0.415 45.562 45.100 0.078 0.000 0.777 366 G HN 0.189 nan 8.290 nan 0.000 0.539 367 Y N 2.015 122.323 120.300 0.014 0.000 2.293 367 Y HA 0.141 4.694 4.550 0.004 0.000 0.291 367 Y C 2.836 178.773 175.900 0.062 0.000 1.137 367 Y CA 0.849 58.968 58.100 0.031 0.000 1.202 367 Y CB -0.213 38.264 38.460 0.028 0.000 0.990 367 Y HN 0.246 nan 8.280 nan 0.000 0.537 368 A N 0.299 123.213 122.820 0.156 0.000 1.877 368 A HA -0.103 4.219 4.320 0.004 0.000 0.216 368 A C 2.439 180.055 177.584 0.053 0.000 1.186 368 A CA 1.850 53.933 52.037 0.077 0.000 0.620 368 A CB -1.439 17.631 19.000 0.117 0.000 0.822 368 A HN 0.537 nan 8.150 nan 0.000 0.443 369 A N -0.095 122.768 122.820 0.072 0.000 1.877 369 A HA 0.159 4.481 4.320 0.004 0.000 0.216 369 A C 2.532 180.165 177.584 0.082 0.000 1.186 369 A CA 2.167 54.257 52.037 0.089 0.000 0.620 369 A CB -1.114 17.934 19.000 0.081 0.000 0.822 369 A HN 1.088 nan 8.150 nan 0.000 0.443 370 A N 0.152 122.996 122.820 0.040 0.000 1.908 370 A HA -0.222 4.100 4.320 0.004 0.000 0.218 370 A C 1.976 179.580 177.584 0.033 0.000 1.181 370 A CA 1.804 53.859 52.037 0.029 0.000 0.627 370 A CB -0.633 18.368 19.000 0.002 0.000 0.818 370 A HN 0.589 nan 8.150 nan 0.000 0.445 371 N N -0.121 118.531 118.700 -0.079 0.000 2.354 371 N HA -0.010 4.733 4.740 0.004 0.000 0.179 371 N C 1.857 177.377 175.510 0.017 0.000 1.021 371 N CA 1.105 54.108 53.050 -0.078 0.000 0.887 371 N CB -0.280 38.057 38.487 -0.249 0.000 0.974 371 N HN 0.474 nan 8.380 nan 0.000 0.437 372 A N 0.389 123.241 122.820 0.054 0.000 1.969 372 A HA -0.178 4.144 4.320 0.004 0.000 0.218 372 A C 2.018 179.654 177.584 0.086 0.000 1.169 372 A CA 0.811 52.897 52.037 0.081 0.000 0.635 372 A CB -0.789 18.296 19.000 0.142 0.000 0.810 372 A HN 0.408 nan 8.150 nan 0.000 0.445 373 Y N 0.728 121.043 120.300 0.024 0.000 2.181 373 Y HA -0.196 4.357 4.550 0.005 0.000 0.288 373 Y C 1.899 177.806 175.900 0.012 0.000 1.146 373 Y CA 1.856 59.965 58.100 0.016 0.000 1.164 373 Y CB -0.282 38.187 38.460 0.015 0.000 0.982 373 Y HN 0.239 nan 8.280 nan 0.000 0.515 374 L N -0.159 121.111 121.223 0.079 0.000 2.012 374 L HA -0.273 4.069 4.340 0.004 0.000 0.210 374 L C 2.192 179.019 176.870 -0.071 0.000 1.073 374 L CA 1.715 56.562 54.840 0.012 0.000 0.748 374 L CB -0.729 41.389 42.059 0.099 0.000 0.891 374 L HN 0.229 nan 8.230 nan 0.000 0.431 375 D N 0.222 120.592 120.400 -0.049 0.000 2.117 375 D HA -0.162 4.480 4.640 0.004 0.000 0.197 375 D C 2.200 178.440 176.300 -0.100 0.000 0.987 375 D CA 1.611 55.578 54.000 -0.054 0.000 0.829 375 D CB 0.026 40.806 40.800 -0.033 0.000 0.961 375 D HN 0.360 nan 8.370 nan 0.000 0.460 376 A N 0.836 123.562 122.820 -0.157 0.000 1.929 376 A HA -0.089 4.233 4.320 0.004 0.000 0.216 376 A C 2.172 179.608 177.584 -0.246 0.000 1.176 376 A CA 0.645 52.562 52.037 -0.199 0.000 0.628 376 A CB -0.592 18.276 19.000 -0.219 0.000 0.816 376 A HN 0.210 nan 8.150 nan 0.000 0.444 377 L N -0.068 120.918 121.223 -0.395 0.000 2.042 377 L HA -0.100 4.242 4.340 0.004 0.000 0.210 377 L C 2.607 179.391 176.870 -0.144 0.000 1.076 377 L CA 2.181 56.811 54.840 -0.351 0.000 0.749 377 L CB -0.655 41.124 42.059 -0.466 0.000 0.893 377 L HN 0.333 nan 8.230 nan 0.000 0.432 378 A N -0.932 121.841 122.820 -0.079 0.000 1.902 378 A HA -0.169 4.153 4.320 0.004 0.000 0.217 378 A C 2.162 179.716 177.584 -0.050 0.000 1.181 378 A CA 1.645 53.672 52.037 -0.017 0.000 0.623 378 A CB -0.543 18.463 19.000 0.010 0.000 0.818 378 A HN 0.544 nan 8.150 nan 0.000 0.443 379 E N -0.801 119.361 120.200 -0.062 0.000 2.106 379 E HA -0.190 4.162 4.350 0.004 0.000 0.192 379 E C 1.909 178.465 176.600 -0.073 0.000 0.984 379 E CA 1.152 57.512 56.400 -0.066 0.000 0.806 379 E CB -0.576 29.079 29.700 -0.075 0.000 0.750 379 E HN 0.859 nan 8.360 nan 0.000 0.458 380 H N 1.323 120.288 119.070 -0.176 0.000 2.321 380 H HA -0.025 4.533 4.556 0.004 0.000 0.300 380 H C 2.106 177.324 175.328 -0.183 0.000 1.087 380 H CA 1.443 57.380 56.048 -0.185 0.000 1.319 380 H CB 0.225 29.852 29.762 -0.226 0.000 1.379 380 H HN 0.018 nan 8.280 nan 0.000 0.501 381 R N -0.146 120.210 120.500 -0.240 0.000 2.105 381 R HA -0.096 4.246 4.340 0.004 0.000 0.239 381 R C 2.556 178.728 176.300 -0.213 0.000 1.135 381 R CA 1.040 56.976 56.100 -0.274 0.000 0.967 381 R CB 0.079 30.234 30.300 -0.242 0.000 0.861 381 R HN 0.258 nan 8.270 nan 0.000 0.442 382 R N 0.246 120.653 120.500 -0.156 0.000 2.120 382 R HA -0.083 4.260 4.340 0.004 0.000 0.234 382 R C 2.292 178.508 176.300 -0.141 0.000 1.123 382 R CA 1.714 57.744 56.100 -0.117 0.000 0.975 382 R CB -0.981 29.271 30.300 -0.080 0.000 0.866 382 R HN 0.318 nan 8.270 nan 0.000 0.446 383 S N 0.547 116.131 115.700 -0.194 0.000 2.447 383 S HA -0.022 4.450 4.470 0.004 0.000 0.233 383 S C 1.872 176.352 174.600 -0.201 0.000 1.006 383 S CA 0.663 58.748 58.200 -0.192 0.000 0.957 383 S CB -0.294 62.782 63.200 -0.208 0.000 0.773 383 S HN 0.277 nan 8.310 nan 0.000 0.507 384 L N 0.868 121.943 121.223 -0.246 0.000 2.591 384 L HA 0.317 4.659 4.340 0.004 0.000 0.228 384 L C 1.794 178.594 176.870 -0.116 0.000 1.133 384 L CA 0.315 55.046 54.840 -0.182 0.000 0.880 384 L CB -0.737 41.208 42.059 -0.191 0.000 1.033 384 L HN 0.588 nan 8.230 nan 0.000 0.450 385 G N 0.758 109.493 108.800 -0.108 0.000 2.143 385 G HA2 -0.265 3.698 3.960 0.004 0.000 0.248 385 G HA3 -0.265 3.698 3.960 0.004 0.000 0.248 385 G C 0.010 174.868 174.900 -0.070 0.000 0.991 385 G CA -0.046 45.009 45.100 -0.076 0.000 0.689 385 G HN 0.244 nan 8.290 nan 0.000 0.522 386 L N 0.076 121.246 121.223 -0.088 0.000 2.331 386 L HA 0.665 5.008 4.340 0.004 0.000 0.275 386 L C 0.988 177.811 176.870 -0.078 0.000 1.022 386 L CA -0.780 54.008 54.840 -0.088 0.000 0.812 386 L CB 1.901 43.891 42.059 -0.116 0.000 1.257 386 L HN 0.160 nan 8.230 nan 0.000 0.435 387 T N 1.401 115.923 114.554 -0.053 0.000 2.907 387 T HA 0.640 4.992 4.350 0.004 0.000 0.298 387 T C -0.408 174.298 174.700 0.010 0.000 1.017 387 T CA -0.149 61.943 62.100 -0.013 0.000 1.118 387 T CB 0.530 69.407 68.868 0.016 0.000 0.948 387 T HN 0.763 nan 8.240 nan 0.000 0.531 388 A N 3.170 126.013 122.820 0.038 0.000 2.594 388 A HA 0.635 4.957 4.320 0.004 0.000 0.296 388 A C -0.838 176.786 177.584 0.067 0.000 1.056 388 A CA -0.753 51.354 52.037 0.116 0.000 0.693 388 A CB 1.505 20.570 19.000 0.108 0.000 1.278 388 A HN 0.752 nan 8.150 nan 0.000 0.408 389 S N 0.225 115.966 115.700 0.068 0.000 2.549 389 S HA 0.853 5.325 4.470 0.004 0.000 0.280 389 S C -0.511 174.097 174.600 0.013 0.000 1.109 389 S CA -0.025 58.184 58.200 0.015 0.000 0.905 389 S CB 1.816 65.011 63.200 -0.009 0.000 1.081 389 S HN 1.789 nan 8.310 nan 0.000 0.477 390 S N 0.717 116.414 115.700 -0.005 0.000 2.532 390 S HA 0.754 5.227 4.470 0.004 0.000 0.299 390 S C -0.892 173.666 174.600 -0.070 0.000 1.105 390 S CA -0.772 57.421 58.200 -0.012 0.000 1.018 390 S CB 1.053 64.248 63.200 -0.009 0.000 1.021 390 S HN 0.599 nan 8.310 nan 0.000 0.483 391 V N 1.139 120.971 119.914 -0.137 0.000 2.350 391 V HA 0.835 4.957 4.120 0.004 0.000 0.285 391 V C 0.399 176.206 176.094 -0.480 0.000 1.014 391 V CA -0.913 61.148 62.300 -0.398 0.000 0.831 391 V CB 0.543 31.834 31.823 -0.886 0.000 1.000 391 V HN 1.167 nan 8.190 nan 0.000 0.433 392 A N 5.249 127.901 122.820 -0.279 0.000 2.666 392 A HA 0.489 4.811 4.320 0.004 0.000 0.312 392 A C -0.246 177.331 177.584 -0.013 0.000 1.471 392 A CA -0.477 51.491 52.037 -0.115 0.000 1.134 392 A CB -0.406 18.583 19.000 -0.020 0.000 1.129 392 A HN 0.870 nan 8.150 nan 0.000 0.539 393 W N 1.816 123.180 121.300 0.106 0.000 2.181 393 W HA 0.403 5.066 4.660 0.006 0.000 0.335 393 W C 1.163 177.773 176.519 0.152 0.000 1.310 393 W CA 0.181 57.621 57.345 0.158 0.000 1.226 393 W CB 0.872 30.468 29.460 0.225 0.000 1.155 393 W HN 0.793 nan 8.180 nan 0.000 0.565 394 G N 0.762 109.809 108.800 0.411 0.000 2.582 394 G HA2 0.285 4.247 3.960 0.004 0.000 0.232 394 G HA3 0.285 4.247 3.960 0.004 0.000 0.232 394 G C -0.614 174.439 174.900 0.255 0.000 1.458 394 G CA -0.693 44.534 45.100 0.212 0.000 1.062 394 G HN 0.312 nan 8.290 nan 0.000 0.566 395 T N 0.742 115.363 114.554 0.113 0.000 2.814 395 T HA 0.203 4.555 4.350 0.004 0.000 0.297 395 T C -0.938 173.845 174.700 0.138 0.000 0.956 395 T CA 0.228 62.398 62.100 0.115 0.000 1.123 395 T CB 0.473 69.328 68.868 -0.022 0.000 0.902 395 T HN 0.279 nan 8.240 nan 0.000 0.528 396 W N 2.138 123.383 121.300 -0.092 0.000 2.365 396 W HA 0.567 5.229 4.660 0.003 0.000 0.316 396 W C 0.872 177.352 176.519 -0.065 0.000 1.164 396 W CA -0.556 56.710 57.345 -0.131 0.000 1.204 396 W CB 0.646 29.973 29.460 -0.221 0.000 1.213 396 W HN 0.831 nan 8.180 nan 0.000 0.539 397 G N 1.080 109.936 108.800 0.093 0.000 2.537 397 G HA2 0.401 4.363 3.960 0.004 0.000 0.273 397 G HA3 0.401 4.363 3.960 0.004 0.000 0.273 397 G C 0.109 175.078 174.900 0.115 0.000 1.189 397 G CA 0.114 45.268 45.100 0.091 0.000 0.881 397 G HN 0.719 nan 8.290 nan 0.000 0.535 398 E N -2.681 117.562 120.200 0.073 0.000 4.908 398 E HA -0.286 4.066 4.350 0.004 0.000 0.164 398 E C 0.614 177.245 176.600 0.051 0.000 1.196 398 E CA 1.827 58.255 56.400 0.047 0.000 2.347 398 E CB -1.559 28.162 29.700 0.035 0.000 1.786 398 E HN 0.912 nan 8.360 nan 0.000 0.456 399 V N -2.662 117.306 119.914 0.090 0.000 3.040 399 V HA 0.893 5.015 4.120 0.004 0.000 0.312 399 V C 0.379 176.470 176.094 -0.005 0.000 1.115 399 V CA 0.133 62.452 62.300 0.031 0.000 0.998 399 V CB 1.742 33.576 31.823 0.017 0.000 1.042 399 V HN 0.943 nan 8.190 nan 0.000 0.433 400 G N 2.869 111.633 108.800 -0.060 0.000 2.610 400 G HA2 -0.084 3.878 3.960 0.004 0.000 0.304 400 G HA3 -0.084 3.878 3.960 0.004 0.000 0.304 400 G C 0.131 175.001 174.900 -0.049 0.000 1.309 400 G CA 0.156 45.192 45.100 -0.107 0.000 0.906 400 G HN 2.001 nan 8.290 nan 0.000 0.521 401 M N -0.946 118.622 119.600 -0.054 0.000 2.557 401 M HA 0.446 4.928 4.480 0.004 0.000 0.259 401 M C 2.030 178.334 176.300 0.005 0.000 1.086 401 M CA 2.322 57.611 55.300 -0.019 0.000 1.096 401 M CB -0.017 32.574 32.600 -0.015 0.000 1.424 401 M HN 1.357 nan 8.290 nan 0.000 0.488 402 A N 0.964 123.804 122.820 0.034 0.000 2.308 402 A HA 0.125 4.447 4.320 0.004 0.000 0.217 402 A C 1.839 179.506 177.584 0.138 0.000 1.216 402 A CA 0.634 52.718 52.037 0.079 0.000 0.864 402 A CB -0.672 18.385 19.000 0.096 0.000 0.902 402 A HN 0.609 nan 8.150 nan 0.000 0.499 403 T N -2.276 112.330 114.554 0.085 0.000 3.272 403 T HA 0.093 4.446 4.350 0.004 0.000 0.250 403 T C 0.009 174.697 174.700 -0.021 0.000 1.082 403 T CA -0.193 61.935 62.100 0.048 0.000 0.968 403 T CB -0.355 68.521 68.868 0.014 0.000 1.015 403 T HN 0.195 nan 8.240 nan 0.000 0.563 404 D N 2.147 122.552 120.400 0.008 0.000 2.308 404 D HA 0.243 4.885 4.640 0.004 0.000 0.251 404 D C -1.431 174.854 176.300 -0.025 0.000 1.127 404 D CA -2.264 51.725 54.000 -0.018 0.000 0.876 404 D CB 2.078 42.875 40.800 -0.004 0.000 1.176 404 D HN -0.039 nan 8.370 nan 0.000 0.446 405 P HA -0.228 nan 4.420 nan 0.000 0.214 405 P C 1.200 178.510 177.300 0.018 0.000 1.172 405 P CA 1.403 64.457 63.100 -0.076 0.000 0.925 405 P CB 0.196 31.857 31.700 -0.064 0.000 0.793 406 E N -0.140 120.067 120.200 0.012 0.000 2.012 406 E HA -0.174 4.179 4.350 0.004 0.000 0.197 406 E C 1.891 178.516 176.600 0.042 0.000 1.007 406 E CA 2.128 58.541 56.400 0.022 0.000 0.816 406 E CB -0.768 28.933 29.700 0.002 0.000 0.762 406 E HN -0.062 nan 8.360 nan 0.000 0.451 407 V N 0.911 120.847 119.914 0.037 0.000 2.370 407 V HA -0.287 3.835 4.120 0.004 0.000 0.252 407 V C 2.546 178.681 176.094 0.068 0.000 1.068 407 V CA 2.503 64.824 62.300 0.035 0.000 1.061 407 V CB -1.109 30.725 31.823 0.019 0.000 0.656 407 V HN 0.496 nan 8.190 nan 0.000 0.455 408 H N -0.506 118.555 119.070 -0.015 0.000 2.524 408 H HA -0.088 4.471 4.556 0.004 0.000 0.282 408 H C 1.818 177.139 175.328 -0.013 0.000 1.016 408 H CA 1.310 57.352 56.048 -0.010 0.000 1.270 408 H CB 0.166 29.923 29.762 -0.010 0.000 1.394 408 H HN 0.405 nan 8.280 nan 0.000 0.568 409 D N 0.034 120.500 120.400 0.110 0.000 2.262 409 D HA -0.078 4.565 4.640 0.004 0.000 0.212 409 D C 2.280 178.582 176.300 0.003 0.000 0.964 409 D CA 0.557 54.600 54.000 0.071 0.000 0.875 409 D CB 0.049 40.897 40.800 0.081 0.000 0.996 409 D HN 0.478 nan 8.370 nan 0.000 0.497 410 R N 1.209 121.707 120.500 -0.003 0.000 2.073 410 R HA -0.058 4.284 4.340 0.004 0.000 0.234 410 R C 2.395 178.678 176.300 -0.028 0.000 1.134 410 R CA 0.712 56.803 56.100 -0.016 0.000 0.952 410 R CB -1.277 29.015 30.300 -0.013 0.000 0.850 410 R HN 0.218 nan 8.270 nan 0.000 0.433 411 L N 1.296 122.495 121.223 -0.040 0.000 1.970 411 L HA -0.169 4.174 4.340 0.004 0.000 0.212 411 L C 2.792 179.608 176.870 -0.090 0.000 1.071 411 L CA 1.372 56.178 54.840 -0.058 0.000 0.751 411 L CB -0.793 41.220 42.059 -0.077 0.000 0.889 411 L HN -0.088 nan 8.230 nan 0.000 0.432 412 V N -0.197 119.628 119.914 -0.147 0.000 2.332 412 V HA -0.334 3.789 4.120 0.004 0.000 0.248 412 V C 2.716 178.765 176.094 -0.075 0.000 1.055 412 V CA 2.087 64.298 62.300 -0.149 0.000 1.038 412 V CB -0.676 31.022 31.823 -0.208 0.000 0.651 412 V HN 0.425 nan 8.190 nan 0.000 0.450 413 R N -0.339 120.132 120.500 -0.048 0.000 2.170 413 R HA -0.196 4.146 4.340 0.004 0.000 0.242 413 R C 2.123 178.409 176.300 -0.023 0.000 1.145 413 R CA 1.594 57.678 56.100 -0.027 0.000 0.984 413 R CB -0.115 30.173 30.300 -0.020 0.000 0.869 413 R HN 0.595 nan 8.270 nan 0.000 0.455 414 Q N -1.599 118.189 119.800 -0.020 0.000 2.319 414 Q HA 0.134 4.476 4.340 0.004 0.000 0.202 414 Q C 0.462 176.505 176.000 0.071 0.000 0.896 414 Q CA 0.499 56.304 55.803 0.005 0.000 0.942 414 Q CB 1.268 30.011 28.738 0.008 0.000 1.083 414 Q HN 0.613 nan 8.270 nan 0.000 0.510 415 G N 0.665 109.461 108.800 -0.007 0.000 2.141 415 G HA2 -0.218 3.744 3.960 0.004 0.000 0.231 415 G HA3 -0.218 3.744 3.960 0.004 0.000 0.231 415 G C 0.031 174.808 174.900 -0.206 0.000 0.984 415 G CA -0.021 45.038 45.100 -0.070 0.000 0.660 415 G HN 0.198 nan 8.290 nan 0.000 0.525 416 V N 2.430 122.230 119.914 -0.189 0.000 2.320 416 V HA 0.516 4.638 4.120 0.004 0.000 0.265 416 V C 0.943 176.906 176.094 -0.219 0.000 1.048 416 V CA -0.446 61.681 62.300 -0.288 0.000 0.865 416 V CB 0.906 32.571 31.823 -0.263 0.000 1.043 416 V HN 0.344 nan 8.190 nan 0.000 0.474 417 L N 3.459 124.555 121.223 -0.213 0.000 2.399 417 L HA 0.717 5.059 4.340 0.004 0.000 0.265 417 L C 0.835 177.618 176.870 -0.146 0.000 1.089 417 L CA -0.586 54.153 54.840 -0.169 0.000 0.802 417 L CB 1.104 43.083 42.059 -0.133 0.000 1.180 417 L HN 0.619 nan 8.230 nan 0.000 0.454 418 A N 3.099 125.840 122.820 -0.131 0.000 2.409 418 A HA 0.469 4.791 4.320 0.004 0.000 0.267 418 A C -0.028 177.493 177.584 -0.105 0.000 1.127 418 A CA -0.300 51.686 52.037 -0.086 0.000 0.795 418 A CB 0.092 19.095 19.000 0.004 0.000 1.061 418 A HN 0.711 nan 8.150 nan 0.000 0.502 419 M N 2.155 121.654 119.600 -0.169 0.000 2.250 419 M HA 0.173 4.656 4.480 0.004 0.000 0.344 419 M C 0.213 176.328 176.300 -0.309 0.000 1.150 419 M CA -0.143 55.007 55.300 -0.250 0.000 1.147 419 M CB 0.696 33.060 32.600 -0.393 0.000 1.498 419 M HN 0.611 nan 8.290 nan 0.000 0.461 420 E N 3.041 123.055 120.200 -0.310 0.000 2.366 420 E HA 0.043 4.395 4.350 0.004 0.000 0.266 420 E C -1.801 174.537 176.600 -0.438 0.000 1.015 420 E CA -1.279 54.904 56.400 -0.361 0.000 0.906 420 E CB 0.522 29.893 29.700 -0.547 0.000 0.979 420 E HN 0.384 nan 8.360 nan 0.000 0.443 421 P HA -0.207 nan 4.420 nan 0.000 0.216 421 P C 1.001 178.114 177.300 -0.312 0.000 1.154 421 P CA 1.268 64.082 63.100 -0.477 0.000 0.865 421 P CB 0.390 32.045 31.700 -0.074 0.000 0.789 422 E N -1.773 118.327 120.200 -0.167 0.000 2.150 422 E HA -0.177 4.175 4.350 0.004 0.000 0.193 422 E C 1.924 178.563 176.600 0.065 0.000 0.985 422 E CA 1.176 57.555 56.400 -0.034 0.000 0.814 422 E CB -0.685 29.016 29.700 0.002 0.000 0.752 422 E HN 0.456 nan 8.360 nan 0.000 0.466 423 H N 0.401 119.389 119.070 -0.138 0.000 2.363 423 H HA 0.100 4.658 4.556 0.004 0.000 0.301 423 H C 1.968 177.232 175.328 -0.107 0.000 1.074 423 H CA 1.135 57.128 56.048 -0.091 0.000 1.354 423 H CB -0.494 29.226 29.762 -0.071 0.000 1.397 423 H HN 0.174 nan 8.280 nan 0.000 0.516 424 A N 0.794 123.521 122.820 -0.156 0.000 1.902 424 A HA -0.091 4.231 4.320 0.004 0.000 0.217 424 A C 2.502 180.146 177.584 0.100 0.000 1.181 424 A CA 1.224 53.159 52.037 -0.171 0.000 0.623 424 A CB -0.852 17.575 19.000 -0.955 0.000 0.818 424 A HN 0.317 nan 8.150 nan 0.000 0.443 425 L N -0.820 120.412 121.223 0.015 0.000 2.093 425 L HA -0.084 4.258 4.340 0.004 0.000 0.208 425 L C 2.751 179.724 176.870 0.172 0.000 1.085 425 L CA 0.979 55.934 54.840 0.192 0.000 0.755 425 L CB -0.622 41.522 42.059 0.142 0.000 0.904 425 L HN 0.492 nan 8.230 nan 0.000 0.435 426 G N -0.667 108.198 108.800 0.109 0.000 2.421 426 G HA2 -0.136 3.827 3.960 0.004 0.000 0.217 426 G HA3 -0.136 3.827 3.960 0.004 0.000 0.217 426 G C 1.753 176.706 174.900 0.088 0.000 1.143 426 G CA 0.677 45.830 45.100 0.088 0.000 0.784 426 G HN 0.436 nan 8.290 nan 0.000 0.541 427 A N 0.502 123.383 122.820 0.102 0.000 1.929 427 A HA 0.136 4.458 4.320 0.004 0.000 0.216 427 A C 2.279 179.929 177.584 0.110 0.000 1.176 427 A CA 1.453 53.542 52.037 0.087 0.000 0.628 427 A CB -0.345 18.712 19.000 0.096 0.000 0.816 427 A HN 0.414 nan 8.150 nan 0.000 0.444 428 L N 0.177 121.515 121.223 0.191 0.000 2.046 428 L HA -0.152 4.191 4.340 0.004 0.000 0.208 428 L C 1.489 178.463 176.870 0.174 0.000 1.077 428 L CA 2.430 57.386 54.840 0.193 0.000 0.747 428 L CB -0.663 41.621 42.059 0.375 0.000 0.896 428 L HN 0.314 nan 8.230 nan 0.000 0.432 429 D N -0.754 119.749 120.400 0.170 0.000 2.144 429 D HA -0.197 4.445 4.640 0.004 0.000 0.199 429 D C 2.172 178.527 176.300 0.091 0.000 0.984 429 D CA 1.162 55.245 54.000 0.138 0.000 0.834 429 D CB -0.070 40.799 40.800 0.115 0.000 0.955 429 D HN 0.547 nan 8.370 nan 0.000 0.465 430 Q N -0.060 119.781 119.800 0.067 0.000 2.096 430 Q HA -0.137 4.205 4.340 0.004 0.000 0.204 430 Q C 2.242 178.259 176.000 0.028 0.000 0.982 430 Q CA 0.995 56.820 55.803 0.036 0.000 0.850 430 Q CB -0.153 28.595 28.738 0.016 0.000 0.901 430 Q HN 0.313 nan 8.270 nan 0.000 0.422 431 M N 0.469 120.088 119.600 0.033 0.000 2.117 431 M HA -0.192 4.290 4.480 0.004 0.000 0.262 431 M C 1.822 178.141 176.300 0.031 0.000 1.065 431 M CA 1.518 56.827 55.300 0.015 0.000 1.114 431 M CB 0.030 32.634 32.600 0.006 0.000 1.361 431 M HN 0.217 nan 8.290 nan 0.000 0.408 432 L N -0.149 121.115 121.223 0.068 0.000 2.141 432 L HA -0.156 4.186 4.340 0.004 0.000 0.209 432 L C 2.417 179.324 176.870 0.062 0.000 1.094 432 L CA 0.779 55.667 54.840 0.079 0.000 0.763 432 L CB -0.640 41.502 42.059 0.138 0.000 0.908 432 L HN 0.278 nan 8.230 nan 0.000 0.437 433 E N 0.053 120.287 120.200 0.056 0.000 2.208 433 E HA -0.137 4.216 4.350 0.004 0.000 0.193 433 E C 1.597 178.211 176.600 0.023 0.000 0.988 433 E CA 0.850 57.275 56.400 0.042 0.000 0.828 433 E CB -0.166 29.557 29.700 0.038 0.000 0.763 433 E HN 0.477 nan 8.360 nan 0.000 0.478 434 N N 0.904 119.611 118.700 0.013 0.000 2.463 434 N HA -0.087 4.656 4.740 0.004 0.000 0.181 434 N C -0.259 175.250 175.510 -0.002 0.000 1.078 434 N CA 0.540 53.588 53.050 -0.004 0.000 0.902 434 N CB 0.178 38.651 38.487 -0.023 0.000 0.970 434 N HN -0.027 nan 8.380 nan 0.000 0.451 435 D N 0.418 120.824 120.400 0.010 0.000 2.723 435 D HA -0.177 4.465 4.640 0.004 0.000 0.236 435 D C -1.387 174.911 176.300 -0.003 0.000 1.138 435 D CA 0.491 54.496 54.000 0.009 0.000 0.676 435 D CB -1.030 39.776 40.800 0.010 0.000 1.069 435 D HN 0.211 nan 8.370 nan 0.000 0.430 436 D N -0.776 119.618 120.400 -0.011 0.000 2.372 436 D HA 0.131 4.773 4.640 0.004 0.000 0.243 436 D C 1.434 177.727 176.300 -0.010 0.000 1.121 436 D CA 0.168 54.155 54.000 -0.022 0.000 0.898 436 D CB 1.106 41.880 40.800 -0.044 0.000 1.202 436 D HN 0.109 nan 8.370 nan 0.000 0.428 437 T N 0.461 115.011 114.554 -0.006 0.000 2.812 437 T HA 0.132 4.484 4.350 0.004 0.000 0.264 437 T C 0.643 175.342 174.700 -0.003 0.000 1.042 437 T CA 0.771 62.869 62.100 -0.003 0.000 1.140 437 T CB 0.241 69.106 68.868 -0.004 0.000 0.870 437 T HN 0.552 nan 8.240 nan 0.000 0.445 438 A N 0.031 122.854 122.820 0.004 0.000 2.486 438 A HA 0.851 5.173 4.320 0.004 0.000 0.300 438 A C -1.173 176.419 177.584 0.013 0.000 1.048 438 A CA -0.450 51.589 52.037 0.003 0.000 0.696 438 A CB 1.533 20.544 19.000 0.017 0.000 1.278 438 A HN 0.495 nan 8.150 nan 0.000 0.405 439 A N 0.292 123.104 122.820 -0.014 0.000 2.612 439 A HA 0.911 5.233 4.320 0.004 0.000 0.293 439 A C -0.524 177.049 177.584 -0.019 0.000 1.075 439 A CA 0.049 52.091 52.037 0.008 0.000 0.680 439 A CB 1.026 20.011 19.000 -0.025 0.000 1.279 439 A HN 2.512 nan 8.150 nan 0.000 0.411 440 A N 0.991 123.841 122.820 0.050 0.000 2.304 440 A HA 0.766 5.089 4.320 0.004 0.000 0.323 440 A C -0.688 176.986 177.584 0.150 0.000 1.195 440 A CA -0.346 51.730 52.037 0.065 0.000 0.826 440 A CB 0.242 19.284 19.000 0.069 0.000 1.184 440 A HN 0.765 nan 8.150 nan 0.000 0.496 441 I N 2.369 123.007 120.570 0.113 0.000 2.420 441 I HA 0.449 4.621 4.170 0.004 0.000 0.282 441 I C -0.157 176.122 176.117 0.270 0.000 1.019 441 I CA -0.058 61.357 61.300 0.192 0.000 1.130 441 I CB 1.756 39.831 38.000 0.126 0.000 1.262 441 I HN 0.637 nan 8.210 nan 0.000 0.454 442 T N 6.250 120.950 114.554 0.243 0.000 3.012 442 T HA 0.453 4.806 4.350 0.004 0.000 0.330 442 T C -1.712 173.046 174.700 0.096 0.000 1.321 442 T CA -0.442 61.734 62.100 0.126 0.000 1.067 442 T CB 1.735 70.620 68.868 0.028 0.000 1.235 442 T HN 0.332 nan 8.240 nan 0.000 0.479 443 L N 5.957 127.168 121.223 -0.021 0.000 2.255 443 L HA 0.702 5.045 4.340 0.004 0.000 0.289 443 L C -0.804 175.944 176.870 -0.204 0.000 1.046 443 L CA -0.209 54.601 54.840 -0.050 0.000 0.816 443 L CB 0.611 42.641 42.059 -0.048 0.000 1.197 443 L HN 0.621 nan 8.230 nan 0.000 0.427 444 M N 3.518 122.943 119.600 -0.291 0.000 2.436 444 M HA 0.348 4.831 4.480 0.004 0.000 0.331 444 M C -0.842 175.183 176.300 -0.459 0.000 1.135 444 M CA -0.536 54.377 55.300 -0.644 0.000 0.987 444 M CB 1.566 33.328 32.600 -1.398 0.000 1.687 444 M HN 0.490 nan 8.290 nan 0.000 0.445 445 D N 1.247 121.412 120.400 -0.391 0.000 2.443 445 D HA 0.214 4.856 4.640 0.004 0.000 0.221 445 D C 0.169 176.380 176.300 -0.147 0.000 1.097 445 D CA -0.180 53.712 54.000 -0.181 0.000 0.865 445 D CB 0.528 41.282 40.800 -0.077 0.000 1.034 445 D HN 0.518 nan 8.370 nan 0.000 0.511 446 W N 2.196 123.519 121.300 0.039 0.000 2.467 446 W HA -0.027 4.637 4.660 0.006 0.000 0.275 446 W C 2.010 178.588 176.519 0.098 0.000 1.239 446 W CA -0.156 57.236 57.345 0.077 0.000 1.266 446 W CB 0.360 29.863 29.460 0.071 0.000 1.112 446 W HN 0.418 nan 8.180 nan 0.000 0.576 447 E N 0.095 120.453 120.200 0.262 0.000 2.110 447 E HA -0.199 4.154 4.350 0.004 0.000 0.193 447 E C 1.923 178.602 176.600 0.132 0.000 0.988 447 E CA 1.455 57.959 56.400 0.174 0.000 0.804 447 E CB -0.502 29.268 29.700 0.117 0.000 0.745 447 E HN 0.460 nan 8.360 nan 0.000 0.458 448 M N -0.898 118.766 119.600 0.106 0.000 2.160 448 M HA -0.037 4.445 4.480 0.004 0.000 0.264 448 M C 2.179 178.538 176.300 0.098 0.000 1.073 448 M CA 0.978 56.321 55.300 0.072 0.000 1.142 448 M CB -0.313 32.306 32.600 0.032 0.000 1.358 448 M HN -0.011 nan 8.290 nan 0.000 0.422 449 F N 1.335 121.253 119.950 -0.053 0.000 2.084 449 F HA -0.056 4.473 4.527 0.003 0.000 0.296 449 F C 2.466 178.310 175.800 0.074 0.000 1.111 449 F CA 1.532 59.480 58.000 -0.086 0.000 1.224 449 F CB -0.371 38.425 39.000 -0.340 0.000 0.991 449 F HN 0.046 nan 8.300 nan 0.000 0.471 450 A N 0.541 123.581 122.820 0.366 0.000 1.883 450 A HA -0.123 4.199 4.320 0.004 0.000 0.217 450 A C -0.298 177.366 177.584 0.132 0.000 1.186 450 A CA 1.963 54.184 52.037 0.306 0.000 0.624 450 A CB -2.138 17.081 19.000 0.365 0.000 0.822 450 A HN 0.362 nan 8.150 nan 0.000 0.444 451 P HA -0.009 nan 4.420 nan 0.000 0.217 451 P C 1.705 178.997 177.300 -0.013 0.000 1.151 451 P CA 1.651 64.775 63.100 0.041 0.000 0.828 451 P CB -0.082 31.641 31.700 0.038 0.000 0.788 452 A N -0.964 121.820 122.820 -0.059 0.000 1.902 452 A HA -0.198 4.125 4.320 0.004 0.000 0.217 452 A C 2.069 179.564 177.584 -0.150 0.000 1.181 452 A CA 1.372 53.341 52.037 -0.114 0.000 0.623 452 A CB -1.855 17.059 19.000 -0.144 0.000 0.818 452 A HN 0.158 nan 8.150 nan 0.000 0.443 453 F N 1.476 121.172 119.950 -0.425 0.000 2.325 453 F HA -0.061 4.468 4.527 0.003 0.000 0.299 453 F C 2.179 177.864 175.800 -0.192 0.000 1.090 453 F CA 1.937 59.673 58.000 -0.441 0.000 1.392 453 F CB 0.066 38.629 39.000 -0.730 0.000 1.053 453 F HN 0.283 nan 8.300 nan 0.000 0.521 454 T N -2.754 111.784 114.554 -0.028 0.000 3.134 454 T HA 0.433 4.785 4.350 0.004 0.000 0.260 454 T C 1.785 176.450 174.700 -0.059 0.000 1.027 454 T CA 0.265 62.344 62.100 -0.035 0.000 0.913 454 T CB -0.102 68.809 68.868 0.072 0.000 1.046 454 T HN 0.142 nan 8.240 nan 0.000 0.553 455 A N 3.038 125.806 122.820 -0.086 0.000 1.902 455 A HA -0.090 4.233 4.320 0.004 0.000 0.217 455 A C 2.253 179.798 177.584 -0.066 0.000 1.181 455 A CA 1.379 53.377 52.037 -0.065 0.000 0.623 455 A CB -0.470 18.486 19.000 -0.073 0.000 0.818 455 A HN 0.536 nan 8.150 nan 0.000 0.443 456 N N -1.467 117.176 118.700 -0.096 0.000 2.325 456 N HA 0.106 4.849 4.740 0.004 0.000 0.182 456 N C 0.463 175.934 175.510 -0.065 0.000 1.088 456 N CA 0.326 53.329 53.050 -0.079 0.000 0.879 456 N CB 0.415 38.843 38.487 -0.098 0.000 0.983 456 N HN 0.550 nan 8.380 nan 0.000 0.471 457 R N 0.536 120.991 120.500 -0.075 0.000 2.579 457 R HA 0.246 4.588 4.340 0.004 0.000 0.260 457 R C -2.971 173.309 176.300 -0.034 0.000 1.103 457 R CA -1.040 55.029 56.100 -0.052 0.000 0.942 457 R CB 2.131 32.384 30.300 -0.078 0.000 1.251 457 R HN -0.136 nan 8.270 nan 0.000 0.450 458 P HA 0.111 nan 4.420 nan 0.000 0.276 458 P C -1.073 176.268 177.300 0.068 0.000 1.252 458 P CA -0.399 62.724 63.100 0.038 0.000 0.802 458 P CB 1.447 33.174 31.700 0.045 0.000 1.035 459 S N 0.001 115.777 115.700 0.128 0.000 2.622 459 S HA 0.468 4.940 4.470 0.004 0.000 0.283 459 S C 1.096 175.787 174.600 0.152 0.000 1.197 459 S CA -0.332 57.990 58.200 0.204 0.000 1.146 459 S CB -0.291 63.163 63.200 0.422 0.000 1.007 459 S HN 0.462 nan 8.310 nan 0.000 0.478 460 A N 4.541 127.427 122.820 0.111 0.000 2.019 460 A HA -0.023 4.299 4.320 0.004 0.000 0.219 460 A C 1.923 179.532 177.584 0.042 0.000 1.164 460 A CA 1.293 53.372 52.037 0.070 0.000 0.644 460 A CB -0.602 18.436 19.000 0.065 0.000 0.805 460 A HN 0.843 nan 8.150 nan 0.000 0.449 461 L N -0.347 120.916 121.223 0.066 0.000 2.051 461 L HA -0.165 4.177 4.340 0.004 0.000 0.214 461 L C 1.835 178.691 176.870 -0.023 0.000 1.076 461 L CA 1.950 56.793 54.840 0.005 0.000 0.758 461 L CB -0.269 41.828 42.059 0.062 0.000 0.890 461 L HN 0.435 nan 8.230 nan 0.000 0.433 462 L N -0.962 120.289 121.223 0.047 0.000 2.611 462 L HA 0.109 4.451 4.340 0.004 0.000 0.229 462 L C 2.189 179.017 176.870 -0.071 0.000 1.137 462 L CA 0.574 55.401 54.840 -0.020 0.000 0.901 462 L CB -0.599 41.514 42.059 0.090 0.000 1.098 462 L HN 0.348 nan 8.230 nan 0.000 0.456 463 S N -1.190 114.489 115.700 -0.036 0.000 2.474 463 S HA -0.136 4.336 4.470 0.004 0.000 0.235 463 S C 1.750 176.311 174.600 -0.066 0.000 0.997 463 S CA 1.302 59.480 58.200 -0.036 0.000 0.949 463 S CB -0.681 62.513 63.200 -0.010 0.000 0.766 463 S HN 0.544 nan 8.310 nan 0.000 0.517 464 T N -0.726 113.770 114.554 -0.097 0.000 3.086 464 T HA 0.365 4.717 4.350 0.004 0.000 0.250 464 T C 0.257 174.882 174.700 -0.124 0.000 1.074 464 T CA -0.318 61.725 62.100 -0.096 0.000 0.988 464 T CB -0.125 68.684 68.868 -0.097 0.000 0.988 464 T HN 0.186 nan 8.240 nan 0.000 0.530 465 V N 3.453 123.234 119.914 -0.221 0.000 2.333 465 V HA 0.285 4.407 4.120 0.004 0.000 0.274 465 V C -1.616 174.322 176.094 -0.260 0.000 1.028 465 V CA -1.783 60.313 62.300 -0.340 0.000 0.851 465 V CB 1.530 32.866 31.823 -0.811 0.000 1.000 465 V HN 0.066 nan 8.190 nan 0.000 0.456 466 P HA -0.057 nan 4.420 nan 0.000 0.221 466 P C 1.164 178.415 177.300 -0.081 0.000 1.150 466 P CA 0.822 63.883 63.100 -0.065 0.000 0.800 466 P CB 0.448 32.142 31.700 -0.011 0.000 0.787 467 E N -0.433 119.687 120.200 -0.134 0.000 2.152 467 E HA -0.070 4.282 4.350 0.004 0.000 0.192 467 E C 2.046 178.613 176.600 -0.056 0.000 0.983 467 E CA 1.241 57.605 56.400 -0.060 0.000 0.818 467 E CB -0.807 28.919 29.700 0.042 0.000 0.758 467 E HN 0.162 nan 8.360 nan 0.000 0.467 468 A N 0.534 123.198 122.820 -0.260 0.000 1.874 468 A HA -0.083 4.239 4.320 0.004 0.000 0.214 468 A C 2.428 180.005 177.584 -0.011 0.000 1.189 468 A CA 0.901 52.886 52.037 -0.087 0.000 0.615 468 A CB -0.653 18.194 19.000 -0.255 0.000 0.830 468 A HN 0.129 nan 8.150 nan 0.000 0.443 469 V N -0.145 119.736 119.914 -0.056 0.000 2.282 469 V HA -0.259 3.863 4.120 0.004 0.000 0.249 469 V C 2.822 178.923 176.094 0.012 0.000 1.057 469 V CA 2.479 64.771 62.300 -0.014 0.000 1.032 469 V CB -0.848 30.960 31.823 -0.025 0.000 0.645 469 V HN 0.645 nan 8.190 nan 0.000 0.447 470 S N -0.564 115.143 115.700 0.012 0.000 2.383 470 S HA -0.118 4.355 4.470 0.004 0.000 0.227 470 S C 2.127 176.756 174.600 0.049 0.000 1.026 470 S CA 1.350 59.567 58.200 0.029 0.000 0.981 470 S CB -0.309 62.909 63.200 0.029 0.000 0.818 470 S HN 0.619 nan 8.310 nan 0.000 0.472 471 A N 1.336 124.199 122.820 0.073 0.000 1.940 471 A HA 0.150 4.472 4.320 0.004 0.000 0.219 471 A C 1.197 178.826 177.584 0.075 0.000 1.176 471 A CA 0.851 52.944 52.037 0.094 0.000 0.631 471 A CB -0.523 18.567 19.000 0.150 0.000 0.814 471 A HN 0.549 nan 8.150 nan 0.000 0.446 472 L N 0.000 121.263 121.223 0.067 0.000 2.949 472 L HA 0.000 4.342 4.340 0.004 0.000 0.249 472 L CA 0.000 54.874 54.840 0.056 0.000 0.813 472 L CB 0.000 42.094 42.059 0.058 0.000 0.961 472 L HN 0.000 nan 8.230 nan 0.000 0.502