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 2o7e_1_B DATA FIRST_RESID 7 DATA SEQUENCE PKPAVELDRH IDLDQAHAVA SGGARIVLAP PARDRCRASE ARLGAVIREA DATA SEQUENCE RHVYGLTTGF GPLANRLISG ENVRTLQANL VHFLASGVGP VLDWTTARAM DATA SEQUENCE VLARLVSIAQ GASGASEGTI ARLIDLLNSE LAPAVPSRGT VGXXXDLTPL DATA SEQUENCE AHMVLCLQGR GDFLDRDGTR LDGAEGLRRG RLQPLDLSHR DALALVNGTS DATA SEQUENCE AMTGIALVNA HACRHLGNWA VALTALLAEC LRGRTEAWAA ALSDLRPHPG DATA SEQUENCE QKDAAARLRA RVDGSARVVR HVIAERRLDA GDIGTEPEAG QDAYSLRCAP DATA SEQUENCE QVLGAGFDTL AWHDRVLTIE LNAVTDNPVF PPDGSVPALH GGNFMGQHVA DATA SEQUENCE LTSDALATAV TVLAGLAERQ IARLTDERLN RGLPPFLHRG PAGLNSGFMG DATA SEQUENCE AQVTATALLA EMRATGPASI HSISTNAANQ DVVSLGTIAA RLCREKIDRW DATA SEQUENCE AEILAILALC LAQAAELRCG SGLDGVSPAG KKLVQALREQ FPPLETDRPL DATA SEQUENCE GQEIAALATH LLQQSPV 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.309 177.300 0.015 0.000 1.155 7 P CA 0.000 63.107 63.100 0.012 0.000 0.800 7 P CB 0.000 31.706 31.700 0.010 0.000 0.726 8 K N 0.612 121.022 120.400 0.016 0.000 2.513 8 K HA 0.619 4.942 4.320 0.004 0.000 0.251 8 K C -2.726 173.884 176.600 0.018 0.000 0.939 8 K CA -1.344 54.954 56.287 0.020 0.000 0.793 8 K CB 1.730 34.242 32.500 0.021 0.000 1.241 8 K HN 0.048 nan 8.250 nan 0.000 0.431 9 P HA 0.065 nan 4.420 nan 0.000 0.268 9 P C -1.515 175.794 177.300 0.015 0.000 1.208 9 P CA -0.254 62.858 63.100 0.019 0.000 0.777 9 P CB 0.850 32.565 31.700 0.025 0.000 0.875 10 A N 1.872 124.700 122.820 0.012 0.000 2.356 10 A HA 0.555 4.877 4.320 0.004 0.000 0.310 10 A C -0.970 176.618 177.584 0.007 0.000 1.075 10 A CA -0.582 51.459 52.037 0.008 0.000 0.746 10 A CB 1.151 20.155 19.000 0.007 0.000 1.221 10 A HN 0.322 nan 8.150 nan 0.000 0.443 11 V N 2.514 122.429 119.914 0.002 0.000 2.347 11 V HA 0.298 4.420 4.120 0.004 0.000 0.280 11 V C 0.231 176.323 176.094 -0.003 0.000 1.021 11 V CA -0.344 61.956 62.300 -0.000 0.000 0.847 11 V CB 1.203 33.021 31.823 -0.008 0.000 0.990 11 V HN 0.958 nan 8.190 nan 0.000 0.444 12 E N 4.664 124.865 120.200 0.001 0.000 2.044 12 E HA 0.331 4.683 4.350 0.004 0.000 0.282 12 E C -0.789 175.811 176.600 0.001 0.000 1.031 12 E CA -0.790 55.611 56.400 0.001 0.000 0.824 12 E CB 1.111 30.814 29.700 0.006 0.000 1.076 12 E HN 0.578 nan 8.360 nan 0.000 0.395 13 L N 5.287 126.507 121.223 -0.005 0.000 2.313 13 L HA 0.216 4.559 4.340 0.004 0.000 0.282 13 L C -0.031 176.839 176.870 0.001 0.000 1.092 13 L CA 0.680 55.515 54.840 -0.008 0.000 0.831 13 L CB 1.122 43.170 42.059 -0.018 0.000 1.159 13 L HN 0.711 nan 8.230 nan 0.000 0.442 14 D N 2.867 123.272 120.400 0.009 0.000 3.074 14 D HA 0.173 4.815 4.640 0.004 0.000 0.227 14 D C 1.335 177.646 176.300 0.019 0.000 1.553 14 D CA 0.668 54.677 54.000 0.015 0.000 1.347 14 D CB 0.709 41.522 40.800 0.021 0.000 1.021 14 D HN 0.582 nan 8.370 nan 0.000 0.260 15 R N -1.558 118.963 120.500 0.036 0.000 2.197 15 R HA 0.201 4.544 4.340 0.004 0.000 0.188 15 R C 0.256 176.600 176.300 0.073 0.000 1.015 15 R CA -0.177 55.952 56.100 0.048 0.000 1.132 15 R CB 0.394 30.727 30.300 0.055 0.000 1.134 15 R HN 0.196 nan 8.270 nan 0.000 0.560 16 H N 0.280 119.344 119.070 -0.010 0.000 2.492 16 H HA 0.545 5.104 4.556 0.004 0.000 0.345 16 H C -1.306 174.017 175.328 -0.009 0.000 1.136 16 H CA -0.599 55.442 56.048 -0.011 0.000 1.202 16 H CB 1.339 31.095 29.762 -0.011 0.000 1.524 16 H HN 0.049 nan 8.280 nan 0.000 0.506 17 I N 4.283 124.524 120.570 -0.548 0.000 2.619 17 I HA 0.265 4.438 4.170 0.004 0.000 0.292 17 I C -1.194 174.625 176.117 -0.497 0.000 1.100 17 I CA -0.872 60.234 61.300 -0.324 0.000 1.043 17 I CB 1.553 39.443 38.000 -0.182 0.000 1.239 17 I HN 0.846 nan 8.210 nan 0.000 0.420 18 D N 5.999 126.283 120.400 -0.194 0.000 2.432 18 D HA 0.234 4.877 4.640 0.004 0.000 0.258 18 D C 0.963 177.232 176.300 -0.051 0.000 1.146 18 D CA -0.586 53.365 54.000 -0.081 0.000 1.015 18 D CB 0.976 41.816 40.800 0.066 0.000 1.107 18 D HN 0.506 nan 8.370 nan 0.000 0.529 19 L N -0.427 120.792 121.223 -0.006 0.000 2.083 19 L HA -0.129 4.214 4.340 0.004 0.000 0.209 19 L C 1.480 178.387 176.870 0.061 0.000 1.083 19 L CA 1.297 56.151 54.840 0.023 0.000 0.752 19 L CB -0.469 41.614 42.059 0.040 0.000 0.899 19 L HN 0.452 nan 8.230 nan 0.000 0.433 20 D N -0.226 120.211 120.400 0.061 0.000 2.117 20 D HA -0.162 4.481 4.640 0.004 0.000 0.198 20 D C 2.307 178.650 176.300 0.073 0.000 0.982 20 D CA 1.032 55.084 54.000 0.087 0.000 0.828 20 D CB -0.069 40.774 40.800 0.071 0.000 0.967 20 D HN 0.426 nan 8.370 nan 0.000 0.464 21 Q N 0.524 120.346 119.800 0.037 0.000 2.084 21 Q HA -0.080 4.263 4.340 0.004 0.000 0.202 21 Q C 2.264 178.264 176.000 0.000 0.000 0.978 21 Q CA 1.364 57.176 55.803 0.016 0.000 0.844 21 Q CB -0.110 28.626 28.738 -0.003 0.000 0.898 21 Q HN 0.190 nan 8.270 nan 0.000 0.426 22 A N 0.974 123.789 122.820 -0.008 0.000 1.883 22 A HA -0.252 4.071 4.320 0.004 0.000 0.217 22 A C 1.969 179.537 177.584 -0.027 0.000 1.186 22 A CA 1.704 53.725 52.037 -0.028 0.000 0.624 22 A CB -0.934 18.047 19.000 -0.032 0.000 0.822 22 A HN 0.457 nan 8.150 nan 0.000 0.444 23 H N -0.020 119.003 119.070 -0.078 0.000 2.457 23 H HA 0.015 4.573 4.556 0.004 0.000 0.294 23 H C 2.221 177.471 175.328 -0.130 0.000 1.064 23 H CA 1.417 57.383 56.048 -0.137 0.000 1.330 23 H CB -0.134 29.478 29.762 -0.249 0.000 1.395 23 H HN 0.418 nan 8.280 nan 0.000 0.541 24 A N 0.355 123.177 122.820 0.003 0.000 1.902 24 A HA -0.094 4.228 4.320 0.004 0.000 0.217 24 A C 2.824 180.373 177.584 -0.058 0.000 1.181 24 A CA 1.531 53.569 52.037 0.001 0.000 0.623 24 A CB -0.793 18.229 19.000 0.037 0.000 0.818 24 A HN 0.283 nan 8.150 nan 0.000 0.443 25 V N -0.267 119.603 119.914 -0.074 0.000 2.323 25 V HA -0.178 3.945 4.120 0.004 0.000 0.244 25 V C 3.049 179.053 176.094 -0.151 0.000 1.041 25 V CA 1.776 64.026 62.300 -0.084 0.000 1.025 25 V CB -1.203 30.575 31.823 -0.075 0.000 0.656 25 V HN 0.595 nan 8.190 nan 0.000 0.451 26 A N 0.831 123.519 122.820 -0.219 0.000 1.933 26 A HA -0.190 4.133 4.320 0.004 0.000 0.218 26 A C 2.362 179.729 177.584 -0.362 0.000 1.175 26 A CA 2.188 54.037 52.037 -0.313 0.000 0.628 26 A CB -0.635 18.178 19.000 -0.313 0.000 0.814 26 A HN 0.691 nan 8.150 nan 0.000 0.444 27 S N -1.995 113.517 115.700 -0.313 0.000 2.593 27 S HA 0.380 4.852 4.470 0.004 0.000 0.217 27 S C 1.386 176.101 174.600 0.191 0.000 0.966 27 S CA 0.980 59.142 58.200 -0.062 0.000 0.914 27 S CB -0.310 62.781 63.200 -0.183 0.000 0.776 27 S HN 1.910 nan 8.310 nan 0.000 0.523 28 G N 0.526 109.372 108.800 0.077 0.000 2.162 28 G HA2 -0.237 3.726 3.960 0.004 0.000 0.260 28 G HA3 -0.237 3.726 3.960 0.004 0.000 0.260 28 G C 0.876 175.838 174.900 0.103 0.000 0.976 28 G CA 0.162 45.359 45.100 0.161 0.000 0.655 28 G HN 0.943 nan 8.290 nan 0.000 0.533 29 G N -0.353 108.486 108.800 0.065 0.000 2.484 29 G HA2 0.521 4.484 3.960 0.004 0.000 0.218 29 G HA3 0.521 4.484 3.960 0.004 0.000 0.218 29 G C 0.696 175.621 174.900 0.042 0.000 1.130 29 G CA 1.756 46.891 45.100 0.059 0.000 0.784 29 G HN 1.818 nan 8.290 nan 0.000 0.543 30 A N -0.203 122.632 122.820 0.026 0.000 2.475 30 A HA 0.745 5.068 4.320 0.004 0.000 0.301 30 A C -0.023 177.565 177.584 0.007 0.000 1.059 30 A CA -0.920 51.127 52.037 0.017 0.000 0.710 30 A CB 1.285 20.292 19.000 0.013 0.000 1.288 30 A HN 0.405 nan 8.150 nan 0.000 0.408 31 R N 1.120 121.624 120.500 0.007 0.000 2.549 31 R HA 0.809 5.152 4.340 0.004 0.000 0.267 31 R C -0.858 175.438 176.300 -0.006 0.000 1.045 31 R CA -0.494 55.607 56.100 0.001 0.000 1.115 31 R CB 1.022 31.325 30.300 0.005 0.000 1.121 31 R HN 0.639 nan 8.270 nan 0.000 0.543 32 I N 1.334 121.897 120.570 -0.012 0.000 2.569 32 I HA 0.462 4.635 4.170 0.004 0.000 0.296 32 I C -1.382 174.728 176.117 -0.012 0.000 1.028 32 I CA -1.224 60.067 61.300 -0.016 0.000 1.082 32 I CB 2.243 40.227 38.000 -0.027 0.000 1.264 32 I HN 0.428 nan 8.210 nan 0.000 0.429 33 V N 7.018 126.926 119.914 -0.009 0.000 2.841 33 V HA 0.361 4.483 4.120 0.004 0.000 0.310 33 V C -0.731 175.359 176.094 -0.007 0.000 1.090 33 V CA -0.727 61.569 62.300 -0.007 0.000 0.930 33 V CB 1.954 33.775 31.823 -0.003 0.000 1.014 33 V HN 0.519 nan 8.190 nan 0.000 0.425 34 L N 4.060 125.280 121.223 -0.006 0.000 2.281 34 L HA 0.740 5.083 4.340 0.004 0.000 0.285 34 L C 0.744 177.614 176.870 -0.001 0.000 1.074 34 L CA 0.345 55.182 54.840 -0.004 0.000 0.817 34 L CB 0.889 42.945 42.059 -0.005 0.000 1.168 34 L HN 0.878 nan 8.230 nan 0.000 0.434 35 A N 6.890 129.711 122.820 0.001 0.000 2.483 35 A HA 0.335 4.657 4.320 0.004 0.000 0.238 35 A C -1.599 175.987 177.584 0.004 0.000 1.070 35 A CA -0.701 51.339 52.037 0.004 0.000 0.770 35 A CB -0.369 18.635 19.000 0.007 0.000 1.008 35 A HN 0.791 nan 8.150 nan 0.000 0.497 36 P HA -0.138 nan 4.420 nan 0.000 0.216 36 P C -1.459 175.844 177.300 0.005 0.000 1.153 36 P CA 1.750 64.852 63.100 0.003 0.000 0.858 36 P CB -0.719 30.983 31.700 0.003 0.000 0.789 37 P HA -0.135 nan 4.420 nan 0.000 0.217 37 P C 1.404 178.709 177.300 0.008 0.000 1.150 37 P CA 1.898 65.002 63.100 0.007 0.000 0.832 37 P CB -0.588 31.117 31.700 0.009 0.000 0.787 38 A N -0.174 122.650 122.820 0.008 0.000 1.897 38 A HA -0.182 4.140 4.320 0.004 0.000 0.215 38 A C 2.397 179.986 177.584 0.007 0.000 1.181 38 A CA 1.340 53.382 52.037 0.008 0.000 0.620 38 A CB -1.134 17.870 19.000 0.007 0.000 0.821 38 A HN 0.004 nan 8.150 nan 0.000 0.443 39 R N -0.189 120.314 120.500 0.005 0.000 2.091 39 R HA -0.188 4.155 4.340 0.004 0.000 0.238 39 R C 1.285 177.588 176.300 0.004 0.000 1.136 39 R CA 2.003 58.105 56.100 0.003 0.000 0.959 39 R CB -0.374 29.926 30.300 0.001 0.000 0.856 39 R HN 0.473 nan 8.270 nan 0.000 0.437 40 D N -0.020 120.383 120.400 0.005 0.000 2.117 40 D HA -0.122 4.521 4.640 0.004 0.000 0.198 40 D C 2.042 178.348 176.300 0.009 0.000 0.982 40 D CA 0.993 54.997 54.000 0.006 0.000 0.828 40 D CB -0.170 40.633 40.800 0.006 0.000 0.967 40 D HN 0.301 nan 8.370 nan 0.000 0.464 41 R N 0.134 120.640 120.500 0.011 0.000 2.096 41 R HA -0.068 4.275 4.340 0.004 0.000 0.235 41 R C 2.461 178.772 176.300 0.019 0.000 1.127 41 R CA 0.891 57.001 56.100 0.016 0.000 0.968 41 R CB -0.451 29.859 30.300 0.017 0.000 0.861 41 R HN 0.230 nan 8.270 nan 0.000 0.440 42 C N -0.118 119.191 119.300 0.016 0.000 2.457 42 C HA 0.025 4.487 4.460 0.004 0.000 0.278 42 C C 2.566 177.563 174.990 0.012 0.000 1.309 42 C CA 0.303 59.332 59.018 0.018 0.000 1.735 42 C CB -0.717 27.032 27.740 0.014 0.000 1.992 42 C HN 0.451 nan 8.230 nan 0.000 0.493 43 R N 1.227 121.730 120.500 0.006 0.000 2.081 43 R HA -0.106 4.237 4.340 0.004 0.000 0.235 43 R C 2.368 178.670 176.300 0.002 0.000 1.131 43 R CA 1.617 57.718 56.100 0.002 0.000 0.960 43 R CB -0.462 29.838 30.300 0.000 0.000 0.856 43 R HN 0.539 nan 8.270 nan 0.000 0.436 44 A N 0.094 122.918 122.820 0.006 0.000 1.933 44 A HA -0.158 4.165 4.320 0.004 0.000 0.218 44 A C 2.175 179.761 177.584 0.004 0.000 1.175 44 A CA 1.744 53.784 52.037 0.006 0.000 0.628 44 A CB -0.435 18.572 19.000 0.011 0.000 0.814 44 A HN 0.279 nan 8.150 nan 0.000 0.444 45 S N -1.005 114.702 115.700 0.012 0.000 2.387 45 S HA -0.139 4.333 4.470 0.004 0.000 0.226 45 S C 1.988 176.569 174.600 -0.032 0.000 1.026 45 S CA 1.296 59.503 58.200 0.012 0.000 0.972 45 S CB -0.301 62.931 63.200 0.054 0.000 0.814 45 S HN 0.667 nan 8.310 nan 0.000 0.477 46 E N 0.440 120.632 120.200 -0.013 0.000 2.118 46 E HA -0.164 4.189 4.350 0.004 0.000 0.195 46 E C 1.995 178.587 176.600 -0.014 0.000 0.992 46 E CA 1.138 57.531 56.400 -0.010 0.000 0.804 46 E CB -0.287 29.411 29.700 -0.003 0.000 0.741 46 E HN 0.594 nan 8.360 nan 0.000 0.458 47 A N 0.919 123.728 122.820 -0.018 0.000 1.969 47 A HA -0.119 4.203 4.320 0.004 0.000 0.218 47 A C 2.073 179.625 177.584 -0.054 0.000 1.169 47 A CA 0.980 53.005 52.037 -0.019 0.000 0.635 47 A CB -0.273 18.720 19.000 -0.011 0.000 0.810 47 A HN 0.150 nan 8.150 nan 0.000 0.445 48 R N -1.175 119.275 120.500 -0.083 0.000 2.073 48 R HA -0.053 4.289 4.340 0.004 0.000 0.229 48 R C 2.088 178.229 176.300 -0.266 0.000 1.120 48 R CA 1.258 57.281 56.100 -0.128 0.000 0.967 48 R CB -0.576 29.668 30.300 -0.094 0.000 0.862 48 R HN 0.477 nan 8.270 nan 0.000 0.436 49 L N 0.789 121.787 121.223 -0.375 0.000 2.012 49 L HA -0.064 4.278 4.340 0.004 0.000 0.210 49 L C 2.162 178.829 176.870 -0.339 0.000 1.073 49 L CA 2.228 56.755 54.840 -0.522 0.000 0.748 49 L CB -1.167 40.677 42.059 -0.358 0.000 0.891 49 L HN 0.191 nan 8.230 nan 0.000 0.431 50 G N -1.032 107.658 108.800 -0.184 0.000 2.476 50 G HA2 -0.321 3.642 3.960 0.004 0.000 0.218 50 G HA3 -0.321 3.642 3.960 0.004 0.000 0.218 50 G C 1.592 176.391 174.900 -0.170 0.000 1.164 50 G CA 1.098 46.093 45.100 -0.175 0.000 0.768 50 G HN 0.687 nan 8.290 nan 0.000 0.560 51 A N -0.108 122.641 122.820 -0.119 0.000 1.930 51 A HA 0.124 4.447 4.320 0.004 0.000 0.217 51 A C 2.613 180.143 177.584 -0.090 0.000 1.175 51 A CA 1.742 53.729 52.037 -0.083 0.000 0.627 51 A CB -0.575 18.392 19.000 -0.055 0.000 0.815 51 A HN 0.269 nan 8.150 nan 0.000 0.443 52 V N 0.387 120.226 119.914 -0.125 0.000 2.287 52 V HA -0.291 3.832 4.120 0.004 0.000 0.248 52 V C 2.428 178.474 176.094 -0.079 0.000 1.053 52 V CA 2.141 64.393 62.300 -0.080 0.000 1.027 52 V CB -0.650 31.108 31.823 -0.108 0.000 0.646 52 V HN 0.582 nan 8.190 nan 0.000 0.447 53 I N -0.585 119.888 120.570 -0.162 0.000 2.202 53 I HA -0.224 3.948 4.170 0.004 0.000 0.242 53 I C 2.737 178.790 176.117 -0.107 0.000 1.091 53 I CA 1.524 62.726 61.300 -0.162 0.000 1.368 53 I CB -0.485 37.313 38.000 -0.336 0.000 1.058 53 I HN 0.214 nan 8.210 nan 0.000 0.410 54 R N 0.895 121.332 120.500 -0.106 0.000 2.120 54 R HA -0.165 4.177 4.340 0.004 0.000 0.234 54 R C 1.730 178.008 176.300 -0.036 0.000 1.123 54 R CA 1.285 57.348 56.100 -0.060 0.000 0.975 54 R CB -0.261 30.009 30.300 -0.050 0.000 0.866 54 R HN 0.512 nan 8.270 nan 0.000 0.446 55 E N 0.028 120.209 120.200 -0.031 0.000 2.502 55 E HA 0.113 4.466 4.350 0.004 0.000 0.194 55 E C 0.351 176.950 176.600 -0.001 0.000 1.062 55 E CA 0.337 56.730 56.400 -0.011 0.000 0.867 55 E CB 0.422 30.121 29.700 -0.002 0.000 0.888 55 E HN 0.304 nan 8.360 nan 0.000 0.510 56 A N 2.203 125.018 122.820 -0.007 0.000 2.791 56 A HA -0.225 4.098 4.320 0.004 0.000 0.292 56 A C 0.063 177.667 177.584 0.033 0.000 1.487 56 A CA 0.531 52.570 52.037 0.003 0.000 0.760 56 A CB -1.336 17.661 19.000 -0.005 0.000 1.031 56 A HN 0.136 nan 8.150 nan 0.000 0.503 57 R N 0.085 120.618 120.500 0.055 0.000 2.694 57 R HA 0.131 4.474 4.340 0.004 0.000 0.268 57 R C 0.543 176.942 176.300 0.165 0.000 1.061 57 R CA -0.127 56.035 56.100 0.103 0.000 1.133 57 R CB 0.148 30.517 30.300 0.115 0.000 1.020 57 R HN 0.721 nan 8.270 nan 0.000 0.475 58 H N 1.629 120.730 119.070 0.053 0.000 3.157 58 H HA 0.235 4.793 4.556 0.004 0.000 0.260 58 H C -0.928 174.463 175.328 0.105 0.000 1.232 58 H CA -0.410 55.663 56.048 0.043 0.000 1.488 58 H CB 0.203 29.968 29.762 0.006 0.000 1.548 58 H HN 0.037 nan 8.280 nan 0.000 0.487 59 V N 6.271 126.364 119.914 0.297 0.000 2.638 59 V HA 0.010 4.133 4.120 0.004 0.000 0.306 59 V C -0.673 175.632 176.094 0.351 0.000 1.052 59 V CA -0.997 61.511 62.300 0.347 0.000 0.885 59 V CB 1.344 33.370 31.823 0.339 0.000 0.999 59 V HN 0.642 nan 8.190 nan 0.000 0.424 60 Y N 3.582 124.119 120.300 0.395 0.000 2.811 60 Y HA 0.351 4.903 4.550 0.004 0.000 0.334 60 Y C 1.409 177.407 175.900 0.163 0.000 1.247 60 Y CA 1.844 60.080 58.100 0.227 0.000 1.526 60 Y CB 0.626 39.271 38.460 0.308 0.000 1.284 60 Y HN 1.050 nan 8.280 nan 0.000 0.586 61 G N 4.046 112.512 108.800 -0.556 0.000 2.245 61 G HA2 -0.316 3.647 3.960 0.004 0.000 0.264 61 G HA3 -0.316 3.647 3.960 0.004 0.000 0.264 61 G C 0.663 175.516 174.900 -0.077 0.000 0.985 61 G CA 0.724 45.631 45.100 -0.321 0.000 0.625 61 G HN 0.673 nan 8.290 nan 0.000 0.536 62 L N -0.260 120.953 121.223 -0.017 0.000 2.577 62 L HA 0.289 4.632 4.340 0.004 0.000 0.225 62 L C 2.188 179.050 176.870 -0.013 0.000 1.053 62 L CA 1.551 56.407 54.840 0.026 0.000 0.866 62 L CB 0.492 42.604 42.059 0.089 0.000 1.132 62 L HN 0.455 nan 8.230 nan 0.000 0.486 63 T N -4.089 110.458 114.554 -0.012 0.000 3.332 63 T HA 0.187 4.539 4.350 0.004 0.000 0.304 63 T C 0.244 174.909 174.700 -0.059 0.000 0.971 63 T CA 0.116 62.203 62.100 -0.022 0.000 0.954 63 T CB 0.039 68.924 68.868 0.029 0.000 1.175 63 T HN 0.178 nan 8.240 nan 0.000 0.519 64 T N -1.891 112.575 114.554 -0.147 0.000 2.841 64 T HA 0.784 5.136 4.350 0.004 0.000 0.296 64 T C 0.534 174.957 174.700 -0.462 0.000 1.166 64 T CA -0.289 61.698 62.100 -0.189 0.000 1.007 64 T CB 1.429 70.275 68.868 -0.037 0.000 1.253 64 T HN 0.302 nan 8.240 nan 0.000 0.511 65 G N -0.189 108.384 108.800 -0.378 0.000 2.553 65 G HA2 0.566 4.528 3.960 0.004 0.000 0.278 65 G HA3 0.566 4.528 3.960 0.004 0.000 0.278 65 G C -1.050 173.437 174.900 -0.689 0.000 1.349 65 G CA -0.823 43.971 45.100 -0.509 0.000 1.037 65 G HN 0.551 nan 8.290 nan 0.000 0.508 66 F N -0.698 119.227 119.950 -0.043 0.000 2.470 66 F HA 0.590 5.119 4.527 0.004 0.000 0.329 66 F C 1.235 177.164 175.800 0.215 0.000 1.072 66 F CA 0.417 58.469 58.000 0.086 0.000 0.989 66 F CB 1.339 40.451 39.000 0.186 0.000 1.193 66 F HN 1.004 nan 8.300 nan 0.000 0.481 67 G N 2.078 111.224 108.800 0.576 0.000 2.611 67 G HA2 -0.300 3.662 3.960 0.004 0.000 0.301 67 G HA3 -0.300 3.662 3.960 0.004 0.000 0.301 67 G C -1.831 173.189 174.900 0.199 0.000 1.233 67 G CA 0.012 45.289 45.100 0.294 0.000 0.993 67 G HN 0.520 nan 8.290 nan 0.000 0.553 68 P HA 0.175 nan 4.420 nan 0.000 0.233 68 P C 1.612 178.950 177.300 0.062 0.000 1.167 68 P CA 0.671 63.817 63.100 0.076 0.000 0.770 68 P CB -0.060 31.669 31.700 0.048 0.000 0.837 69 L N -1.570 119.692 121.223 0.064 0.000 2.627 69 L HA 0.210 4.552 4.340 0.004 0.000 0.232 69 L C 1.936 178.813 176.870 0.012 0.000 1.150 69 L CA 0.000 54.851 54.840 0.019 0.000 0.917 69 L CB -0.598 41.452 42.059 -0.015 0.000 1.104 69 L HN -0.047 nan 8.230 nan 0.000 0.445 70 A N 1.268 124.136 122.820 0.080 0.000 2.172 70 A HA -0.159 4.164 4.320 0.004 0.000 0.216 70 A C 1.971 179.597 177.584 0.071 0.000 1.154 70 A CA 1.307 53.404 52.037 0.100 0.000 0.701 70 A CB -0.469 18.695 19.000 0.273 0.000 0.789 70 A HN 0.641 nan 8.150 nan 0.000 0.465 71 N N -0.564 118.163 118.700 0.046 0.000 2.521 71 N HA -0.028 4.715 4.740 0.004 0.000 0.188 71 N C -0.011 175.491 175.510 -0.012 0.000 1.146 71 N CA 0.208 53.274 53.050 0.027 0.000 0.893 71 N CB -0.170 38.330 38.487 0.022 0.000 0.975 71 N HN 0.164 nan 8.380 nan 0.000 0.451 72 R N 1.007 121.489 120.500 -0.029 0.000 2.204 72 R HA 0.401 4.743 4.340 0.004 0.000 0.341 72 R C -0.207 176.045 176.300 -0.080 0.000 1.035 72 R CA -0.307 55.760 56.100 -0.054 0.000 0.887 72 R CB 0.764 31.029 30.300 -0.058 0.000 1.114 72 R HN 0.145 nan 8.270 nan 0.000 0.473 73 L N 3.937 125.107 121.223 -0.087 0.000 2.417 73 L HA 0.381 4.724 4.340 0.004 0.000 0.268 73 L C 0.100 176.914 176.870 -0.094 0.000 1.158 73 L CA -0.418 54.356 54.840 -0.109 0.000 0.819 73 L CB 0.588 42.563 42.059 -0.141 0.000 1.112 73 L HN 0.345 nan 8.230 nan 0.000 0.458 74 I N 1.321 121.834 120.570 -0.095 0.000 2.474 74 I HA 0.210 4.383 4.170 0.004 0.000 0.294 74 I C 0.319 176.401 176.117 -0.059 0.000 1.005 74 I CA -0.274 60.979 61.300 -0.079 0.000 1.113 74 I CB 1.685 39.626 38.000 -0.099 0.000 1.289 74 I HN 0.527 nan 8.210 nan 0.000 0.436 75 S N 3.173 118.847 115.700 -0.044 0.000 2.576 75 S HA 0.290 4.763 4.470 0.004 0.000 0.276 75 S C 1.499 176.084 174.600 -0.025 0.000 1.339 75 S CA 0.232 58.412 58.200 -0.033 0.000 1.039 75 S CB 1.122 64.306 63.200 -0.026 0.000 0.902 75 S HN 0.885 nan 8.310 nan 0.000 0.516 76 G N 2.733 111.520 108.800 -0.021 0.000 2.475 76 G HA2 -0.253 3.710 3.960 0.004 0.000 0.220 76 G HA3 -0.253 3.710 3.960 0.004 0.000 0.220 76 G C 1.144 176.040 174.900 -0.006 0.000 1.125 76 G CA 1.144 46.234 45.100 -0.016 0.000 0.755 76 G HN 0.950 nan 8.290 nan 0.000 0.565 77 E N 0.155 120.351 120.200 -0.006 0.000 2.333 77 E HA -0.078 4.275 4.350 0.004 0.000 0.198 77 E C 1.143 177.745 176.600 0.004 0.000 1.007 77 E CA 0.882 57.282 56.400 0.000 0.000 0.845 77 E CB -0.141 29.558 29.700 -0.002 0.000 0.766 77 E HN 0.349 nan 8.360 nan 0.000 0.507 78 N N 0.585 119.285 118.700 -0.001 0.000 2.203 78 N HA 0.065 4.808 4.740 0.004 0.000 0.207 78 N C 1.308 176.824 175.510 0.010 0.000 1.130 78 N CA 0.094 53.147 53.050 0.004 0.000 0.861 78 N CB 1.153 39.638 38.487 -0.003 0.000 1.005 78 N HN 0.043 nan 8.380 nan 0.000 0.507 79 V N 1.113 121.034 119.914 0.011 0.000 2.407 79 V HA -0.193 3.930 4.120 0.004 0.000 0.248 79 V C 2.441 178.560 176.094 0.042 0.000 1.055 79 V CA 1.381 63.695 62.300 0.023 0.000 1.049 79 V CB -0.223 31.615 31.823 0.025 0.000 0.662 79 V HN 0.230 nan 8.190 nan 0.000 0.455 80 R N 0.308 120.829 120.500 0.036 0.000 2.080 80 R HA -0.136 4.207 4.340 0.004 0.000 0.236 80 R C 2.402 178.717 176.300 0.024 0.000 1.137 80 R CA 2.095 58.214 56.100 0.031 0.000 0.943 80 R CB -1.439 28.875 30.300 0.023 0.000 0.846 80 R HN 0.525 nan 8.270 nan 0.000 0.431 81 T N 2.431 117.001 114.554 0.027 0.000 2.708 81 T HA -0.140 4.213 4.350 0.004 0.000 0.266 81 T C 1.909 176.643 174.700 0.056 0.000 1.037 81 T CA 1.206 63.325 62.100 0.032 0.000 1.146 81 T CB -0.365 68.523 68.868 0.034 0.000 0.865 81 T HN 0.096 nan 8.240 nan 0.000 0.435 82 L N 1.338 122.605 121.223 0.073 0.000 1.990 82 L HA -0.183 4.160 4.340 0.004 0.000 0.213 82 L C 2.412 179.419 176.870 0.228 0.000 1.072 82 L CA 1.864 56.787 54.840 0.139 0.000 0.755 82 L CB -0.652 41.449 42.059 0.069 0.000 0.889 82 L HN 0.271 nan 8.230 nan 0.000 0.432 83 Q N -1.038 118.851 119.800 0.148 0.000 2.230 83 Q HA -0.052 4.291 4.340 0.004 0.000 0.202 83 Q C 2.182 178.159 176.000 -0.039 0.000 0.963 83 Q CA 1.096 56.959 55.803 0.099 0.000 0.866 83 Q CB -0.215 28.568 28.738 0.075 0.000 0.931 83 Q HN 0.712 nan 8.270 nan 0.000 0.452 84 A N 1.611 124.392 122.820 -0.065 0.000 1.929 84 A HA -0.149 4.173 4.320 0.004 0.000 0.216 84 A C 1.750 179.132 177.584 -0.336 0.000 1.176 84 A CA 1.140 53.045 52.037 -0.220 0.000 0.628 84 A CB -0.240 18.661 19.000 -0.166 0.000 0.816 84 A HN 0.245 nan 8.150 nan 0.000 0.444 85 N N -0.068 118.587 118.700 -0.076 0.000 2.244 85 N HA -0.108 4.634 4.740 0.004 0.000 0.183 85 N C 1.570 177.152 175.510 0.120 0.000 1.016 85 N CA 1.227 54.329 53.050 0.087 0.000 0.866 85 N CB -0.547 38.073 38.487 0.222 0.000 0.980 85 N HN 0.422 nan 8.380 nan 0.000 0.430 86 L N 1.121 122.342 121.223 -0.003 0.000 1.990 86 L HA -0.137 4.206 4.340 0.004 0.000 0.213 86 L C 1.971 178.427 176.870 -0.691 0.000 1.072 86 L CA 1.529 56.109 54.840 -0.434 0.000 0.755 86 L CB -0.813 40.908 42.059 -0.563 0.000 0.889 86 L HN -0.087 nan 8.230 nan 0.000 0.432 87 V N -0.398 119.260 119.914 -0.428 0.000 2.392 87 V HA -0.351 3.771 4.120 0.004 0.000 0.249 87 V C 2.381 178.321 176.094 -0.258 0.000 1.059 87 V CA 2.242 64.325 62.300 -0.362 0.000 1.051 87 V CB -1.003 30.652 31.823 -0.280 0.000 0.658 87 V HN 0.635 nan 8.190 nan 0.000 0.455 88 H N -0.437 118.507 119.070 -0.209 0.000 2.276 88 H HA -0.151 4.408 4.556 0.004 0.000 0.301 88 H C 2.242 177.512 175.328 -0.097 0.000 1.073 88 H CA 1.825 57.801 56.048 -0.121 0.000 1.311 88 H CB -0.253 29.501 29.762 -0.014 0.000 1.379 88 H HN 0.599 nan 8.280 nan 0.000 0.494 89 F N 0.778 120.761 119.950 0.054 0.000 2.365 89 F HA -0.046 4.483 4.527 0.004 0.000 0.300 89 F C 1.630 177.406 175.800 -0.039 0.000 1.090 89 F CA 0.803 58.804 58.000 0.003 0.000 1.408 89 F CB -0.728 38.278 39.000 0.010 0.000 1.060 89 F HN 0.006 nan 8.300 nan 0.000 0.534 90 L N 0.640 121.502 121.223 -0.602 0.000 2.418 90 L HA 0.198 4.541 4.340 0.004 0.000 0.218 90 L C 1.877 178.601 176.870 -0.244 0.000 1.125 90 L CA 0.421 54.990 54.840 -0.451 0.000 0.835 90 L CB -0.690 40.984 42.059 -0.640 0.000 0.953 90 L HN 0.276 nan 8.230 nan 0.000 0.454 91 A N 0.155 122.804 122.820 -0.285 0.000 3.051 91 A HA 0.161 4.484 4.320 0.004 0.000 0.257 91 A C 1.190 178.736 177.584 -0.062 0.000 1.785 91 A CA 0.246 52.009 52.037 -0.457 0.000 1.420 91 A CB -0.640 18.001 19.000 -0.599 0.000 1.063 91 A HN 0.358 nan 8.150 nan 0.000 0.630 92 S N -0.454 115.306 115.700 0.099 0.000 2.601 92 S HA 0.383 4.856 4.470 0.004 0.000 0.244 92 S C 0.842 175.541 174.600 0.164 0.000 1.001 92 S CA 0.073 58.352 58.200 0.132 0.000 0.984 92 S CB 0.103 63.355 63.200 0.087 0.000 0.842 92 S HN 0.754 nan 8.310 nan 0.000 0.474 93 G N 1.477 110.463 108.800 0.309 0.000 2.527 93 G HA2 0.525 4.488 3.960 0.004 0.000 0.248 93 G HA3 0.525 4.488 3.960 0.004 0.000 0.248 93 G C -0.149 174.718 174.900 -0.055 0.000 1.231 93 G CA 0.022 45.155 45.100 0.056 0.000 0.838 93 G HN 1.013 nan 8.290 nan 0.000 0.570 94 V N -0.962 118.915 119.914 -0.062 0.000 3.167 94 V HA 1.038 5.161 4.120 0.004 0.000 0.310 94 V C 0.569 176.625 176.094 -0.063 0.000 1.207 94 V CA -0.035 62.230 62.300 -0.058 0.000 1.059 94 V CB 1.133 32.944 31.823 -0.020 0.000 1.079 94 V HN 2.544 nan 8.190 nan 0.000 0.446 95 G N 0.448 109.219 108.800 -0.048 0.000 2.661 95 G HA2 0.073 4.035 3.960 0.004 0.000 0.685 95 G HA3 0.073 4.035 3.960 0.004 0.000 0.685 95 G C -2.831 172.043 174.900 -0.044 0.000 1.298 95 G CA -0.299 44.779 45.100 -0.038 0.000 0.855 95 G HN 1.133 nan 8.290 nan 0.000 0.560 96 P HA 0.417 nan 4.420 nan 0.000 0.269 96 P C 0.801 178.082 177.300 -0.031 0.000 1.209 96 P CA 0.405 63.492 63.100 -0.022 0.000 0.776 96 P CB 0.937 32.634 31.700 -0.006 0.000 0.876 97 V N 1.709 121.606 119.914 -0.030 0.000 2.924 97 V HA 0.156 4.279 4.120 0.004 0.000 0.305 97 V C 0.654 176.742 176.094 -0.010 0.000 1.073 97 V CA -0.639 61.640 62.300 -0.036 0.000 1.098 97 V CB -0.467 31.338 31.823 -0.029 0.000 1.000 97 V HN 0.305 nan 8.190 nan 0.000 0.484 98 L N 2.920 124.133 121.223 -0.016 0.000 2.483 98 L HA 0.239 4.582 4.340 0.004 0.000 0.276 98 L C 0.704 177.594 176.870 0.033 0.000 1.213 98 L CA -0.160 54.683 54.840 0.004 0.000 0.843 98 L CB 0.097 42.149 42.059 -0.012 0.000 1.107 98 L HN 1.033 nan 8.230 nan 0.000 0.487 99 D N -0.089 120.346 120.400 0.058 0.000 2.361 99 D HA -0.108 4.535 4.640 0.004 0.000 0.239 99 D C 0.715 177.103 176.300 0.147 0.000 1.200 99 D CA -0.441 53.626 54.000 0.111 0.000 0.915 99 D CB 0.545 41.417 40.800 0.119 0.000 1.170 99 D HN 0.541 nan 8.370 nan 0.000 0.444 100 W N 1.213 122.518 121.300 0.008 0.000 2.290 100 W HA -0.293 4.369 4.660 0.004 0.000 0.328 100 W C 2.221 178.735 176.519 -0.008 0.000 1.272 100 W CA 2.756 60.105 57.345 0.007 0.000 1.262 100 W CB -0.839 28.628 29.460 0.010 0.000 1.151 100 W HN 0.455 nan 8.180 nan 0.000 0.473 101 T N -0.320 114.356 114.554 0.203 0.000 2.746 101 T HA -0.212 4.140 4.350 0.004 0.000 0.267 101 T C 1.564 176.182 174.700 -0.138 0.000 1.039 101 T CA 2.286 64.355 62.100 -0.051 0.000 1.142 101 T CB -0.893 68.036 68.868 0.102 0.000 0.866 101 T HN 0.189 nan 8.240 nan 0.000 0.444 102 T N 1.951 116.485 114.554 -0.034 0.000 2.777 102 T HA 0.024 4.376 4.350 0.004 0.000 0.266 102 T C 2.438 177.089 174.700 -0.081 0.000 1.040 102 T CA 1.080 63.160 62.100 -0.034 0.000 1.141 102 T CB -0.533 68.345 68.868 0.018 0.000 0.868 102 T HN 0.431 nan 8.240 nan 0.000 0.444 103 A N 1.807 124.566 122.820 -0.101 0.000 1.902 103 A HA -0.125 4.198 4.320 0.004 0.000 0.217 103 A C 2.376 179.856 177.584 -0.173 0.000 1.181 103 A CA 1.461 53.427 52.037 -0.118 0.000 0.623 103 A CB -0.477 18.458 19.000 -0.109 0.000 0.818 103 A HN 0.409 nan 8.150 nan 0.000 0.443 104 R N -0.594 119.734 120.500 -0.288 0.000 2.092 104 R HA -0.004 4.339 4.340 0.004 0.000 0.231 104 R C 2.417 178.586 176.300 -0.218 0.000 1.119 104 R CA 1.059 56.967 56.100 -0.320 0.000 0.970 104 R CB -0.424 29.540 30.300 -0.561 0.000 0.864 104 R HN 0.505 nan 8.270 nan 0.000 0.440 105 A N 1.122 123.829 122.820 -0.188 0.000 1.972 105 A HA -0.190 4.133 4.320 0.004 0.000 0.219 105 A C 2.105 179.635 177.584 -0.089 0.000 1.169 105 A CA 1.346 53.307 52.037 -0.126 0.000 0.635 105 A CB -0.445 18.503 19.000 -0.086 0.000 0.810 105 A HN 0.340 nan 8.150 nan 0.000 0.446 106 M N -0.354 119.196 119.600 -0.084 0.000 2.132 106 M HA -0.099 4.383 4.480 0.004 0.000 0.263 106 M C 1.847 178.109 176.300 -0.063 0.000 1.065 106 M CA 1.874 57.137 55.300 -0.061 0.000 1.122 106 M CB -0.195 32.373 32.600 -0.054 0.000 1.365 106 M HN 0.185 nan 8.290 nan 0.000 0.411 107 V N 1.157 121.023 119.914 -0.081 0.000 2.343 107 V HA -0.273 3.850 4.120 0.004 0.000 0.247 107 V C 2.434 178.488 176.094 -0.066 0.000 1.051 107 V CA 1.689 63.947 62.300 -0.070 0.000 1.036 107 V CB -0.993 30.782 31.823 -0.080 0.000 0.654 107 V HN 0.579 nan 8.190 nan 0.000 0.451 108 L N 1.049 122.222 121.223 -0.082 0.000 2.012 108 L HA -0.121 4.222 4.340 0.004 0.000 0.210 108 L C 2.458 179.292 176.870 -0.060 0.000 1.073 108 L CA 2.442 57.237 54.840 -0.075 0.000 0.748 108 L CB -1.023 40.981 42.059 -0.091 0.000 0.891 108 L HN 0.223 nan 8.230 nan 0.000 0.431 109 A N -0.480 122.306 122.820 -0.057 0.000 1.908 109 A HA -0.270 4.053 4.320 0.004 0.000 0.218 109 A C 2.479 180.041 177.584 -0.037 0.000 1.181 109 A CA 1.903 53.912 52.037 -0.048 0.000 0.627 109 A CB -0.628 18.347 19.000 -0.042 0.000 0.818 109 A HN 0.495 nan 8.150 nan 0.000 0.445 110 R N -0.713 119.767 120.500 -0.033 0.000 2.092 110 R HA -0.070 4.273 4.340 0.004 0.000 0.231 110 R C 1.942 178.230 176.300 -0.020 0.000 1.119 110 R CA 1.461 57.548 56.100 -0.022 0.000 0.970 110 R CB -0.611 29.676 30.300 -0.022 0.000 0.864 110 R HN 0.443 nan 8.270 nan 0.000 0.440 111 L N -0.073 121.134 121.223 -0.027 0.000 2.012 111 L HA -0.121 4.221 4.340 0.004 0.000 0.210 111 L C 1.911 178.768 176.870 -0.022 0.000 1.073 111 L CA 1.703 56.529 54.840 -0.023 0.000 0.748 111 L CB -0.576 41.465 42.059 -0.031 0.000 0.891 111 L HN 0.070 nan 8.230 nan 0.000 0.431 112 V N -0.995 118.900 119.914 -0.032 0.000 2.343 112 V HA -0.281 3.842 4.120 0.004 0.000 0.247 112 V C 2.776 178.855 176.094 -0.024 0.000 1.051 112 V CA 1.835 64.114 62.300 -0.035 0.000 1.036 112 V CB -0.903 30.887 31.823 -0.054 0.000 0.654 112 V HN 0.643 nan 8.190 nan 0.000 0.451 113 S N -0.442 115.246 115.700 -0.021 0.000 2.368 113 S HA -0.144 4.328 4.470 0.004 0.000 0.225 113 S C 1.897 176.498 174.600 0.002 0.000 1.030 113 S CA 1.687 59.880 58.200 -0.012 0.000 0.999 113 S CB -0.335 62.860 63.200 -0.009 0.000 0.844 113 S HN 0.532 nan 8.310 nan 0.000 0.459 114 I N 1.489 122.063 120.570 0.007 0.000 2.252 114 I HA -0.104 4.069 4.170 0.004 0.000 0.245 114 I C 2.636 178.764 176.117 0.018 0.000 1.102 114 I CA 1.013 62.325 61.300 0.020 0.000 1.385 114 I CB -0.444 37.567 38.000 0.018 0.000 1.064 114 I HN 0.349 nan 8.210 nan 0.000 0.414 115 A N 0.041 122.865 122.820 0.007 0.000 2.178 115 A HA -0.186 4.136 4.320 0.004 0.000 0.218 115 A C 2.048 179.639 177.584 0.011 0.000 1.157 115 A CA 1.109 53.150 52.037 0.006 0.000 0.689 115 A CB -0.332 18.667 19.000 -0.003 0.000 0.787 115 A HN 0.403 nan 8.150 nan 0.000 0.465 116 Q N -1.134 118.674 119.800 0.013 0.000 2.435 116 Q HA 0.076 4.419 4.340 0.004 0.000 0.207 116 Q C 1.232 177.247 176.000 0.025 0.000 0.956 116 Q CA 0.779 56.592 55.803 0.015 0.000 0.917 116 Q CB -0.482 28.261 28.738 0.010 0.000 0.997 116 Q HN 1.026 nan 8.270 nan 0.000 0.497 117 G N 0.561 109.381 108.800 0.033 0.000 2.212 117 G HA2 -0.217 3.746 3.960 0.004 0.000 0.255 117 G HA3 -0.217 3.746 3.960 0.004 0.000 0.255 117 G C 0.456 175.399 174.900 0.071 0.000 1.062 117 G CA 0.415 45.542 45.100 0.046 0.000 0.815 117 G HN 0.516 nan 8.290 nan 0.000 0.497 118 A N -1.072 121.799 122.820 0.085 0.000 2.635 118 A HA 0.736 5.059 4.320 0.004 0.000 0.279 118 A C 1.622 179.323 177.584 0.195 0.000 1.122 118 A CA 1.365 53.476 52.037 0.123 0.000 0.965 118 A CB 0.290 19.321 19.000 0.052 0.000 1.221 118 A HN 0.738 nan 8.150 nan 0.000 0.566 119 S N -1.233 114.588 115.700 0.202 0.000 2.497 119 S HA 0.372 4.845 4.470 0.004 0.000 0.218 119 S C 1.538 176.357 174.600 0.364 0.000 1.023 119 S CA 0.765 59.116 58.200 0.252 0.000 0.913 119 S CB 0.431 63.710 63.200 0.131 0.000 0.800 119 S HN 1.673 nan 8.310 nan 0.000 0.505 120 G N 1.807 110.737 108.800 0.217 0.000 2.159 120 G HA2 -0.203 3.760 3.960 0.004 0.000 0.256 120 G HA3 -0.203 3.760 3.960 0.004 0.000 0.256 120 G C 0.223 175.157 174.900 0.057 0.000 0.977 120 G CA -0.017 45.118 45.100 0.058 0.000 0.652 120 G HN 0.877 nan 8.290 nan 0.000 0.531 121 A N 0.401 123.265 122.820 0.073 0.000 2.531 121 A HA 0.603 4.925 4.320 0.004 0.000 0.236 121 A C 1.155 178.747 177.584 0.012 0.000 1.062 121 A CA 1.073 53.136 52.037 0.043 0.000 0.760 121 A CB 0.193 19.216 19.000 0.038 0.000 0.995 121 A HN 2.021 nan 8.150 nan 0.000 0.501 122 S N 1.458 117.151 115.700 -0.012 0.000 2.632 122 S HA 0.227 4.700 4.470 0.004 0.000 0.267 122 S C 0.726 175.312 174.600 -0.024 0.000 1.276 122 S CA -0.013 58.166 58.200 -0.035 0.000 0.998 122 S CB 0.876 64.029 63.200 -0.078 0.000 0.953 122 S HN 0.722 nan 8.310 nan 0.000 0.547 123 E N 1.522 121.707 120.200 -0.025 0.000 2.085 123 E HA -0.130 4.223 4.350 0.004 0.000 0.194 123 E C 2.150 178.739 176.600 -0.019 0.000 0.994 123 E CA 1.246 57.635 56.400 -0.018 0.000 0.801 123 E CB -0.774 28.915 29.700 -0.018 0.000 0.743 123 E HN 0.903 nan 8.360 nan 0.000 0.453 124 G N 0.514 109.298 108.800 -0.026 0.000 2.446 124 G HA2 -0.287 3.675 3.960 0.004 0.000 0.217 124 G HA3 -0.287 3.675 3.960 0.004 0.000 0.217 124 G C 1.641 176.531 174.900 -0.018 0.000 1.168 124 G CA 1.374 46.460 45.100 -0.023 0.000 0.771 124 G HN 0.197 nan 8.290 nan 0.000 0.551 125 T N 1.343 115.886 114.554 -0.020 0.000 2.708 125 T HA -0.068 4.285 4.350 0.004 0.000 0.266 125 T C 2.396 177.092 174.700 -0.007 0.000 1.037 125 T CA 1.099 63.192 62.100 -0.013 0.000 1.146 125 T CB -0.185 68.676 68.868 -0.011 0.000 0.865 125 T HN 0.252 nan 8.240 nan 0.000 0.435 126 I N 1.280 121.846 120.570 -0.007 0.000 2.226 126 I HA -0.187 3.986 4.170 0.004 0.000 0.245 126 I C 2.906 179.018 176.117 -0.008 0.000 1.100 126 I CA 1.096 62.393 61.300 -0.006 0.000 1.374 126 I CB -0.493 37.504 38.000 -0.004 0.000 1.057 126 I HN 0.195 nan 8.210 nan 0.000 0.413 127 A N 0.797 123.612 122.820 -0.009 0.000 1.933 127 A HA -0.178 4.145 4.320 0.004 0.000 0.218 127 A C 2.337 179.917 177.584 -0.007 0.000 1.175 127 A CA 1.266 53.298 52.037 -0.009 0.000 0.628 127 A CB -0.396 18.598 19.000 -0.010 0.000 0.814 127 A HN 0.249 nan 8.150 nan 0.000 0.444 128 R N -0.181 120.317 120.500 -0.003 0.000 2.096 128 R HA -0.038 4.305 4.340 0.004 0.000 0.235 128 R C 2.006 178.310 176.300 0.007 0.000 1.127 128 R CA 1.172 57.275 56.100 0.005 0.000 0.968 128 R CB -0.999 29.308 30.300 0.011 0.000 0.861 128 R HN 0.605 nan 8.270 nan 0.000 0.440 129 L N 0.080 121.302 121.223 -0.001 0.000 2.072 129 L HA -0.082 4.261 4.340 0.004 0.000 0.205 129 L C 2.462 179.322 176.870 -0.016 0.000 1.079 129 L CA 1.050 55.885 54.840 -0.008 0.000 0.752 129 L CB -0.441 41.609 42.059 -0.015 0.000 0.906 129 L HN 0.062 nan 8.230 nan 0.000 0.436 130 I N -0.065 120.495 120.570 -0.016 0.000 2.179 130 I HA -0.283 3.890 4.170 0.004 0.000 0.242 130 I C 2.128 178.235 176.117 -0.018 0.000 1.088 130 I CA 1.179 62.467 61.300 -0.019 0.000 1.357 130 I CB -0.401 37.590 38.000 -0.015 0.000 1.051 130 I HN 0.248 nan 8.210 nan 0.000 0.409 131 D N 0.812 121.205 120.400 -0.012 0.000 2.123 131 D HA -0.186 4.456 4.640 0.004 0.000 0.196 131 D C 2.126 178.418 176.300 -0.014 0.000 0.992 131 D CA 0.998 54.991 54.000 -0.013 0.000 0.833 131 D CB -0.344 40.449 40.800 -0.012 0.000 0.954 131 D HN 0.150 nan 8.370 nan 0.000 0.455 132 L N 0.774 121.994 121.223 -0.006 0.000 1.989 132 L HA -0.150 4.192 4.340 0.004 0.000 0.211 132 L C 2.193 179.046 176.870 -0.029 0.000 1.071 132 L CA 1.434 56.276 54.840 0.002 0.000 0.749 132 L CB -0.953 41.126 42.059 0.033 0.000 0.890 132 L HN 0.108 nan 8.230 nan 0.000 0.431 133 L N 0.186 121.381 121.223 -0.047 0.000 2.127 133 L HA -0.231 4.111 4.340 0.004 0.000 0.211 133 L C 2.055 178.899 176.870 -0.044 0.000 1.089 133 L CA 1.061 55.857 54.840 -0.074 0.000 0.757 133 L CB -0.574 41.442 42.059 -0.072 0.000 0.899 133 L HN 0.396 nan 8.230 nan 0.000 0.434 134 N N -0.580 118.107 118.700 -0.021 0.000 2.422 134 N HA -0.021 4.722 4.740 0.004 0.000 0.181 134 N C 0.996 176.516 175.510 0.015 0.000 1.080 134 N CA 0.490 53.539 53.050 -0.003 0.000 0.893 134 N CB 0.131 38.614 38.487 -0.005 0.000 0.973 134 N HN 0.348 nan 8.380 nan 0.000 0.456 135 S N 0.148 115.857 115.700 0.015 0.000 2.671 135 S HA 0.251 4.723 4.470 0.004 0.000 0.272 135 S C 0.788 175.454 174.600 0.109 0.000 1.174 135 S CA -0.391 57.830 58.200 0.034 0.000 1.004 135 S CB 1.324 64.525 63.200 0.000 0.000 1.077 135 S HN -0.061 nan 8.310 nan 0.000 0.553 136 E N -0.017 120.272 120.200 0.149 0.000 2.465 136 E HA 0.347 4.700 4.350 0.004 0.000 0.195 136 E C -0.161 176.730 176.600 0.485 0.000 1.028 136 E CA -0.018 56.563 56.400 0.301 0.000 0.899 136 E CB -0.110 29.676 29.700 0.144 0.000 1.032 136 E HN 0.502 nan 8.360 nan 0.000 0.468 137 L N -0.076 121.338 121.223 0.319 0.000 2.331 137 L HA 0.741 5.084 4.340 0.004 0.000 0.268 137 L C -0.016 176.973 176.870 0.198 0.000 1.015 137 L CA -1.044 54.013 54.840 0.362 0.000 0.807 137 L CB 1.537 43.675 42.059 0.133 0.000 1.293 137 L HN -0.169 nan 8.230 nan 0.000 0.451 138 A N 1.000 123.964 122.820 0.240 0.000 2.549 138 A HA 0.797 5.119 4.320 0.004 0.000 0.297 138 A C -2.815 174.864 177.584 0.157 0.000 1.061 138 A CA -1.366 50.665 52.037 -0.009 0.000 0.690 138 A CB 1.867 20.645 19.000 -0.370 0.000 1.287 138 A HN 0.365 nan 8.150 nan 0.000 0.402 139 P HA 0.384 nan 4.420 nan 0.000 0.275 139 P C -0.344 176.874 177.300 -0.137 0.000 1.228 139 P CA 0.054 63.025 63.100 -0.214 0.000 0.786 139 P CB 1.311 32.880 31.700 -0.219 0.000 0.927 140 A N 3.374 126.085 122.820 -0.181 0.000 2.366 140 A HA 0.474 4.796 4.320 0.004 0.000 0.322 140 A C -0.211 177.306 177.584 -0.111 0.000 1.397 140 A CA -0.437 51.546 52.037 -0.091 0.000 0.984 140 A CB -0.330 18.633 19.000 -0.061 0.000 1.149 140 A HN 0.348 nan 8.150 nan 0.000 0.540 141 V N 5.397 125.251 119.914 -0.099 0.000 2.604 141 V HA 0.437 4.560 4.120 0.004 0.000 0.305 141 V C -2.192 173.802 176.094 -0.167 0.000 1.043 141 V CA -1.833 60.388 62.300 -0.133 0.000 0.888 141 V CB 2.099 33.876 31.823 -0.076 0.000 0.995 141 V HN 0.799 nan 8.190 nan 0.000 0.429 142 P HA 0.073 nan 4.420 nan 0.000 0.268 142 P C 0.650 177.863 177.300 -0.145 0.000 1.205 142 P CA 0.090 63.048 63.100 -0.236 0.000 0.771 142 P CB 1.014 32.494 31.700 -0.367 0.000 0.858 143 S N 2.688 118.338 115.700 -0.084 0.000 2.470 143 S HA 0.030 4.502 4.470 0.004 0.000 0.225 143 S C 0.859 175.440 174.600 -0.031 0.000 1.006 143 S CA 0.090 58.264 58.200 -0.045 0.000 0.934 143 S CB -0.085 63.102 63.200 -0.022 0.000 0.778 143 S HN 0.414 nan 8.310 nan 0.000 0.517 144 R N -0.258 120.219 120.500 -0.038 0.000 2.787 144 R HA 0.627 4.970 4.340 0.004 0.000 0.271 144 R C 0.761 177.054 176.300 -0.011 0.000 0.993 144 R CA -0.030 56.059 56.100 -0.017 0.000 0.993 144 R CB 1.525 31.818 30.300 -0.013 0.000 1.155 144 R HN 0.318 nan 8.270 nan 0.000 0.486 145 G N 0.148 108.953 108.800 0.008 0.000 2.624 145 G HA2 -0.211 3.752 3.960 0.004 0.000 0.190 145 G HA3 -0.211 3.752 3.960 0.004 0.000 0.190 145 G C 0.068 174.985 174.900 0.028 0.000 1.008 145 G CA -0.043 45.071 45.100 0.022 0.000 0.731 145 G HN 0.603 nan 8.290 nan 0.000 0.478 146 T N 0.538 115.106 114.554 0.023 0.000 2.925 146 T HA 0.537 4.890 4.350 0.004 0.000 0.285 146 T C 1.481 176.199 174.700 0.031 0.000 1.021 146 T CA 0.444 62.558 62.100 0.024 0.000 1.042 146 T CB 1.694 70.573 68.868 0.018 0.000 1.037 146 T HN 1.124 nan 8.240 nan 0.000 0.481 147 V N 1.143 121.078 119.914 0.035 0.000 3.596 147 V HA 0.583 4.705 4.120 0.004 0.000 0.289 147 V C 1.185 177.312 176.094 0.054 0.000 1.336 147 V CA 0.276 62.603 62.300 0.045 0.000 1.137 147 V CB -1.409 30.443 31.823 0.048 0.000 0.966 147 V HN 1.368 nan 8.190 nan 0.000 0.428 153 L N -0.177 121.018 121.223 -0.047 0.000 1.971 153 L HA -0.194 4.148 4.340 0.004 0.000 0.215 153 L C 2.430 179.250 176.870 -0.083 0.000 1.072 153 L CA 1.775 56.560 54.840 -0.091 0.000 0.758 153 L CB -0.920 41.065 42.059 -0.124 0.000 0.889 153 L HN 0.115 nan 8.230 nan 0.000 0.433 154 T N 0.423 114.953 114.554 -0.039 0.000 2.580 154 T HA -0.137 4.216 4.350 0.004 0.000 0.265 154 T C -0.397 174.366 174.700 0.106 0.000 1.063 154 T CA 2.018 64.131 62.100 0.022 0.000 1.170 154 T CB -1.498 67.406 68.868 0.060 0.000 0.863 154 T HN 0.340 nan 8.240 nan 0.000 0.418 155 P HA -0.019 nan 4.420 nan 0.000 0.218 155 P C 1.594 178.917 177.300 0.038 0.000 1.148 155 P CA 1.092 64.226 63.100 0.057 0.000 0.822 155 P CB -0.247 31.456 31.700 0.006 0.000 0.784 156 L N -0.757 120.462 121.223 -0.007 0.000 2.156 156 L HA -0.044 4.298 4.340 0.004 0.000 0.208 156 L C 2.811 179.641 176.870 -0.067 0.000 1.095 156 L CA 1.231 56.049 54.840 -0.037 0.000 0.770 156 L CB -1.011 41.018 42.059 -0.049 0.000 0.914 156 L HN -0.062 nan 8.230 nan 0.000 0.439 157 A N -0.928 121.829 122.820 -0.106 0.000 1.930 157 A HA -0.218 4.105 4.320 0.004 0.000 0.217 157 A C 2.113 179.579 177.584 -0.196 0.000 1.175 157 A CA 1.260 53.180 52.037 -0.195 0.000 0.627 157 A CB -0.696 18.127 19.000 -0.294 0.000 0.815 157 A HN 0.404 nan 8.150 nan 0.000 0.443 158 H N -1.196 117.814 119.070 -0.100 0.000 2.423 158 H HA -0.079 4.479 4.556 0.004 0.000 0.297 158 H C 2.090 177.348 175.328 -0.116 0.000 1.075 158 H CA 1.703 57.693 56.048 -0.096 0.000 1.342 158 H CB -0.227 29.484 29.762 -0.086 0.000 1.395 158 H HN 0.618 nan 8.280 nan 0.000 0.530 159 M N 0.599 120.199 119.600 -0.001 0.000 2.086 159 M HA -0.151 4.332 4.480 0.004 0.000 0.261 159 M C 2.080 178.334 176.300 -0.077 0.000 1.067 159 M CA 1.349 56.613 55.300 -0.061 0.000 1.116 159 M CB -0.153 32.416 32.600 -0.051 0.000 1.348 159 M HN -0.014 nan 8.290 nan 0.000 0.407 160 V N 1.391 121.261 119.914 -0.073 0.000 2.287 160 V HA -0.311 3.812 4.120 0.004 0.000 0.248 160 V C 2.471 178.525 176.094 -0.066 0.000 1.053 160 V CA 1.915 64.174 62.300 -0.070 0.000 1.027 160 V CB -0.801 30.967 31.823 -0.092 0.000 0.646 160 V HN 0.557 nan 8.190 nan 0.000 0.447 161 L N -0.975 120.199 121.223 -0.081 0.000 2.083 161 L HA -0.227 4.116 4.340 0.004 0.000 0.209 161 L C 2.620 179.447 176.870 -0.072 0.000 1.083 161 L CA 1.519 56.322 54.840 -0.060 0.000 0.752 161 L CB -0.701 41.319 42.059 -0.065 0.000 0.899 161 L HN 0.414 nan 8.230 nan 0.000 0.433 162 C N -0.208 119.004 119.300 -0.146 0.000 2.432 162 C HA -0.141 4.322 4.460 0.004 0.000 0.277 162 C C 2.642 177.525 174.990 -0.178 0.000 1.249 162 C CA 0.417 59.231 59.018 -0.340 0.000 1.725 162 C CB -0.773 26.629 27.740 -0.563 0.000 2.028 162 C HN 0.438 nan 8.230 nan 0.000 0.477 163 L N 0.314 121.518 121.223 -0.031 0.000 2.362 163 L HA -0.155 4.188 4.340 0.004 0.000 0.219 163 L C 2.398 179.343 176.870 0.125 0.000 1.134 163 L CA 1.212 56.136 54.840 0.139 0.000 0.807 163 L CB -0.623 41.478 42.059 0.071 0.000 0.927 163 L HN 0.529 nan 8.230 nan 0.000 0.447 164 Q N -0.457 119.383 119.800 0.067 0.000 2.360 164 Q HA 0.117 4.460 4.340 0.004 0.000 0.202 164 Q C 1.367 177.419 176.000 0.087 0.000 0.915 164 Q CA 0.515 56.352 55.803 0.058 0.000 0.943 164 Q CB 0.670 29.422 28.738 0.024 0.000 1.064 164 Q HN 0.549 nan 8.270 nan 0.000 0.511 165 G N 1.679 110.561 108.800 0.138 0.000 2.141 165 G HA2 -0.300 3.663 3.960 0.004 0.000 0.242 165 G HA3 -0.300 3.663 3.960 0.004 0.000 0.242 165 G C 0.561 175.521 174.900 0.100 0.000 0.982 165 G CA 0.064 45.266 45.100 0.170 0.000 0.662 165 G HN 0.301 nan 8.290 nan 0.000 0.527 166 R N 0.117 120.648 120.500 0.053 0.000 2.507 166 R HA 0.462 4.805 4.340 0.004 0.000 0.298 166 R C 1.030 177.330 176.300 0.002 0.000 0.999 166 R CA 0.522 56.640 56.100 0.030 0.000 1.082 166 R CB 0.799 31.117 30.300 0.031 0.000 1.246 166 R HN 0.511 nan 8.270 nan 0.000 0.553 167 G N -0.331 108.450 108.800 -0.032 0.000 2.692 167 G HA2 0.236 4.199 3.960 0.004 0.000 0.291 167 G HA3 0.236 4.199 3.960 0.004 0.000 0.291 167 G C -1.493 173.318 174.900 -0.149 0.000 1.423 167 G CA -0.657 44.391 45.100 -0.085 0.000 0.843 167 G HN -0.127 nan 8.290 nan 0.000 0.486 168 D N -0.458 119.870 120.400 -0.120 0.000 2.357 168 D HA 0.549 5.192 4.640 0.004 0.000 0.242 168 D C -0.520 175.636 176.300 -0.240 0.000 1.153 168 D CA 0.546 54.503 54.000 -0.071 0.000 0.918 168 D CB 0.945 41.741 40.800 -0.006 0.000 1.181 168 D HN 0.083 nan 8.370 nan 0.000 0.435 169 F N -0.327 119.649 119.950 0.042 0.000 2.579 169 F HA 0.504 5.034 4.527 0.005 0.000 0.324 169 F C -0.078 175.771 175.800 0.081 0.000 1.058 169 F CA -0.888 57.146 58.000 0.057 0.000 0.944 169 F CB 1.201 40.235 39.000 0.056 0.000 1.245 169 F HN -0.063 nan 8.300 nan 0.000 0.477 170 L N 1.950 123.378 121.223 0.341 0.000 2.365 170 L HA 0.423 4.766 4.340 0.004 0.000 0.273 170 L C -0.845 176.257 176.870 0.388 0.000 1.000 170 L CA -1.037 53.984 54.840 0.301 0.000 0.819 170 L CB 1.785 44.023 42.059 0.299 0.000 1.284 170 L HN 0.601 nan 8.230 nan 0.000 0.418 171 D N 1.566 122.084 120.400 0.197 0.000 2.466 171 D HA 0.194 4.837 4.640 0.004 0.000 0.262 171 D C 0.793 176.921 176.300 -0.288 0.000 1.177 171 D CA -0.622 53.410 54.000 0.053 0.000 1.035 171 D CB 0.827 41.617 40.800 -0.017 0.000 1.105 171 D HN 0.333 nan 8.370 nan 0.000 0.551 172 R N -0.570 119.490 120.500 -0.732 0.000 2.170 172 R HA -0.107 4.236 4.340 0.004 0.000 0.242 172 R C 0.704 176.677 176.300 -0.544 0.000 1.145 172 R CA 1.426 56.791 56.100 -1.225 0.000 0.984 172 R CB -0.150 29.533 30.300 -1.029 0.000 0.869 172 R HN 0.524 nan 8.270 nan 0.000 0.455 173 D N -1.300 118.929 120.400 -0.286 0.000 2.348 173 D HA 0.042 4.685 4.640 0.004 0.000 0.211 173 D C 1.236 177.501 176.300 -0.058 0.000 0.998 173 D CA 1.061 54.976 54.000 -0.141 0.000 0.873 173 D CB 0.711 41.451 40.800 -0.100 0.000 0.925 173 D HN 0.448 nan 8.370 nan 0.000 0.524 174 G N 1.442 110.228 108.800 -0.024 0.000 2.176 174 G HA2 -0.253 3.710 3.960 0.004 0.000 0.232 174 G HA3 -0.253 3.710 3.960 0.004 0.000 0.232 174 G C 0.615 175.541 174.900 0.044 0.000 0.986 174 G CA 0.383 45.510 45.100 0.045 0.000 0.643 174 G HN 0.424 nan 8.290 nan 0.000 0.522 175 T N -0.405 114.164 114.554 0.025 0.000 2.851 175 T HA 0.617 4.970 4.350 0.004 0.000 0.298 175 T C 0.521 175.257 174.700 0.060 0.000 0.977 175 T CA -0.282 61.836 62.100 0.030 0.000 1.126 175 T CB 1.281 70.156 68.868 0.013 0.000 0.916 175 T HN 0.507 nan 8.240 nan 0.000 0.529 176 R N 2.283 122.819 120.500 0.059 0.000 2.410 176 R HA 0.600 4.943 4.340 0.004 0.000 0.288 176 R C -0.362 175.990 176.300 0.086 0.000 1.051 176 R CA -0.679 55.469 56.100 0.079 0.000 1.021 176 R CB 0.784 31.118 30.300 0.057 0.000 1.032 176 R HN 0.599 nan 8.270 nan 0.000 0.481 177 L N 2.054 123.355 121.223 0.130 0.000 2.362 177 L HA 0.312 4.655 4.340 0.004 0.000 0.271 177 L C -0.231 176.737 176.870 0.164 0.000 1.002 177 L CA -1.309 53.610 54.840 0.132 0.000 0.818 177 L CB 1.885 44.031 42.059 0.144 0.000 1.298 177 L HN 0.680 nan 8.230 nan 0.000 0.420 178 D N 1.308 121.782 120.400 0.123 0.000 2.363 178 D HA 0.074 4.717 4.640 0.004 0.000 0.240 178 D C 1.251 177.673 176.300 0.204 0.000 1.236 178 D CA 0.018 54.092 54.000 0.123 0.000 0.927 178 D CB 0.881 41.728 40.800 0.078 0.000 1.150 178 D HN 0.580 nan 8.370 nan 0.000 0.458 179 G N 0.054 108.968 108.800 0.190 0.000 2.529 179 G HA2 -0.275 3.688 3.960 0.004 0.000 0.219 179 G HA3 -0.275 3.688 3.960 0.004 0.000 0.219 179 G C 1.517 176.557 174.900 0.233 0.000 1.177 179 G CA 2.002 47.270 45.100 0.281 0.000 0.773 179 G HN 0.725 nan 8.290 nan 0.000 0.573 180 A N 0.656 123.551 122.820 0.125 0.000 1.883 180 A HA -0.101 4.222 4.320 0.004 0.000 0.217 180 A C 2.228 179.835 177.584 0.038 0.000 1.186 180 A CA 2.407 54.486 52.037 0.070 0.000 0.624 180 A CB -0.549 18.480 19.000 0.048 0.000 0.822 180 A HN 0.415 nan 8.150 nan 0.000 0.444 181 E N 0.074 120.303 120.200 0.047 0.000 2.110 181 E HA -0.063 4.290 4.350 0.004 0.000 0.193 181 E C 1.950 178.524 176.600 -0.043 0.000 0.988 181 E CA 1.568 57.976 56.400 0.014 0.000 0.804 181 E CB -0.824 28.897 29.700 0.036 0.000 0.745 181 E HN 0.428 nan 8.360 nan 0.000 0.458 182 G N 0.574 109.343 108.800 -0.051 0.000 2.404 182 G HA2 -0.207 3.756 3.960 0.004 0.000 0.215 182 G HA3 -0.207 3.756 3.960 0.004 0.000 0.215 182 G C 1.616 176.192 174.900 -0.541 0.000 1.174 182 G CA 0.854 45.707 45.100 -0.412 0.000 0.780 182 G HN 0.310 nan 8.290 nan 0.000 0.537 183 L N -0.105 120.917 121.223 -0.334 0.000 2.083 183 L HA -0.066 4.276 4.340 0.004 0.000 0.209 183 L C 2.917 179.700 176.870 -0.145 0.000 1.083 183 L CA 1.368 56.081 54.840 -0.213 0.000 0.752 183 L CB -0.425 41.602 42.059 -0.052 0.000 0.899 183 L HN 0.217 nan 8.230 nan 0.000 0.433 184 R N 0.544 120.983 120.500 -0.102 0.000 2.075 184 R HA -0.199 4.144 4.340 0.004 0.000 0.230 184 R C 2.549 178.802 176.300 -0.078 0.000 1.140 184 R CA 1.720 57.780 56.100 -0.067 0.000 0.928 184 R CB -0.252 30.024 30.300 -0.040 0.000 0.834 184 R HN 0.141 nan 8.270 nan 0.000 0.429 185 R N -0.555 119.892 120.500 -0.088 0.000 2.096 185 R HA -0.119 4.224 4.340 0.004 0.000 0.240 185 R C 1.910 178.159 176.300 -0.086 0.000 1.139 185 R CA 1.970 58.025 56.100 -0.076 0.000 0.952 185 R CB -0.591 29.667 30.300 -0.070 0.000 0.854 185 R HN 0.462 nan 8.270 nan 0.000 0.436 186 G N -0.524 108.193 108.800 -0.139 0.000 2.985 186 G HA2 -0.039 3.924 3.960 0.004 0.000 0.209 186 G HA3 -0.039 3.924 3.960 0.004 0.000 0.209 186 G C -0.222 174.621 174.900 -0.095 0.000 1.165 186 G CA -0.212 44.816 45.100 -0.121 0.000 0.776 186 G HN 0.359 nan 8.290 nan 0.000 0.541 187 R N -1.047 119.400 120.500 -0.088 0.000 3.267 187 R HA -0.135 4.208 4.340 0.004 0.000 0.254 187 R C -0.729 175.534 176.300 -0.062 0.000 0.993 187 R CA 0.315 56.378 56.100 -0.062 0.000 0.670 187 R CB -2.193 28.083 30.300 -0.041 0.000 1.125 187 R HN 0.338 nan 8.270 nan 0.000 0.434 188 L N 0.800 121.972 121.223 -0.084 0.000 2.325 188 L HA 0.366 4.709 4.340 0.004 0.000 0.278 188 L C 0.720 177.569 176.870 -0.036 0.000 1.023 188 L CA -0.792 54.009 54.840 -0.065 0.000 0.811 188 L CB 1.817 43.815 42.059 -0.102 0.000 1.249 188 L HN 0.114 nan 8.230 nan 0.000 0.431 189 Q N 3.540 123.331 119.800 -0.014 0.000 2.235 189 Q HA 0.336 4.678 4.340 0.004 0.000 0.250 189 Q C -2.236 173.772 176.000 0.014 0.000 0.909 189 Q CA -1.886 53.915 55.803 -0.003 0.000 0.910 189 Q CB 1.293 30.028 28.738 -0.005 0.000 1.223 189 Q HN 0.336 nan 8.270 nan 0.000 0.432 190 P HA -0.067 nan 4.420 nan 0.000 0.268 190 P C -0.629 176.685 177.300 0.024 0.000 1.204 190 P CA -0.306 62.816 63.100 0.035 0.000 0.768 190 P CB 0.544 32.262 31.700 0.030 0.000 0.842 191 L N 3.235 124.476 121.223 0.030 0.000 2.499 191 L HA 0.100 4.442 4.340 0.004 0.000 0.273 191 L C 0.133 177.003 176.870 -0.001 0.000 1.195 191 L CA 0.748 55.596 54.840 0.013 0.000 0.882 191 L CB -0.611 41.456 42.059 0.012 0.000 1.133 191 L HN 0.321 nan 8.230 nan 0.000 0.483 192 D N 4.982 125.376 120.400 -0.011 0.000 2.464 192 D HA 0.258 4.901 4.640 0.004 0.000 0.243 192 D C -0.787 175.495 176.300 -0.031 0.000 1.104 192 D CA -0.268 53.720 54.000 -0.019 0.000 0.883 192 D CB 0.284 41.071 40.800 -0.022 0.000 1.050 192 D HN 0.488 nan 8.370 nan 0.000 0.524 193 L N 2.477 123.682 121.223 -0.030 0.000 2.410 193 L HA 0.294 4.637 4.340 0.004 0.000 0.273 193 L C 0.616 177.464 176.870 -0.038 0.000 1.144 193 L CA -0.184 54.638 54.840 -0.031 0.000 0.863 193 L CB 1.044 43.086 42.059 -0.029 0.000 1.140 193 L HN 0.318 nan 8.230 nan 0.000 0.463 194 S N 2.055 117.721 115.700 -0.058 0.000 2.566 194 S HA 0.489 4.962 4.470 0.004 0.000 0.298 194 S C 0.084 174.674 174.600 -0.017 0.000 1.083 194 S CA -0.351 57.782 58.200 -0.112 0.000 0.978 194 S CB 0.763 63.794 63.200 -0.281 0.000 1.073 194 S HN 0.937 nan 8.310 nan 0.000 0.491 195 H N 1.748 120.817 119.070 -0.003 0.000 1.452 195 H HA -0.285 4.274 4.556 0.004 0.000 0.090 195 H C 1.038 176.383 175.328 0.029 0.000 0.989 195 H CA 1.702 57.751 56.048 0.001 0.000 1.901 195 H CB -0.656 29.092 29.762 -0.024 0.000 2.257 195 H HN 0.791 nan 8.280 nan 0.000 0.961 196 R N 1.938 122.562 120.500 0.206 0.000 2.466 196 R HA 0.079 4.421 4.340 0.004 0.000 0.279 196 R C 0.171 176.548 176.300 0.127 0.000 0.976 196 R CA 0.594 56.794 56.100 0.167 0.000 1.081 196 R CB 0.377 30.811 30.300 0.224 0.000 1.215 196 R HN 0.300 nan 8.270 nan 0.000 0.546 197 D N 2.400 122.853 120.400 0.089 0.000 2.172 197 D HA -0.227 4.415 4.640 0.004 0.000 0.196 197 D C 1.878 178.195 176.300 0.028 0.000 0.999 197 D CA 1.955 55.984 54.000 0.048 0.000 0.856 197 D CB -0.104 40.703 40.800 0.012 0.000 0.934 197 D HN 0.466 nan 8.370 nan 0.000 0.453 198 A N 0.652 123.482 122.820 0.018 0.000 1.851 198 A HA -0.180 4.143 4.320 0.004 0.000 0.216 198 A C 2.184 179.750 177.584 -0.030 0.000 1.195 198 A CA 1.356 53.377 52.037 -0.027 0.000 0.622 198 A CB -0.895 18.081 19.000 -0.041 0.000 0.831 198 A HN 0.260 nan 8.150 nan 0.000 0.444 199 L N -0.443 120.796 121.223 0.026 0.000 2.093 199 L HA -0.007 4.336 4.340 0.004 0.000 0.208 199 L C 2.705 179.609 176.870 0.056 0.000 1.085 199 L CA 1.989 56.856 54.840 0.044 0.000 0.755 199 L CB -0.779 41.379 42.059 0.164 0.000 0.904 199 L HN 0.373 nan 8.230 nan 0.000 0.435 200 A N -0.694 122.173 122.820 0.079 0.000 1.902 200 A HA -0.168 4.154 4.320 0.004 0.000 0.217 200 A C 2.199 179.804 177.584 0.034 0.000 1.181 200 A CA 1.909 53.992 52.037 0.077 0.000 0.623 200 A CB -0.829 18.231 19.000 0.099 0.000 0.818 200 A HN 0.474 nan 8.150 nan 0.000 0.443 201 L N -0.991 120.238 121.223 0.010 0.000 2.478 201 L HA -0.022 4.321 4.340 0.004 0.000 0.223 201 L C 1.802 178.653 176.870 -0.031 0.000 1.140 201 L CA 0.296 55.128 54.840 -0.013 0.000 0.842 201 L CB 0.096 42.140 42.059 -0.026 0.000 0.953 201 L HN 0.255 nan 8.230 nan 0.000 0.452 202 V N -1.813 118.076 119.914 -0.041 0.000 3.455 202 V HA 0.077 4.200 4.120 0.004 0.000 0.250 202 V C 0.853 176.917 176.094 -0.049 0.000 1.230 202 V CA 0.267 62.525 62.300 -0.069 0.000 1.105 202 V CB 0.232 31.973 31.823 -0.138 0.000 0.850 202 V HN 0.285 nan 8.190 nan 0.000 0.461 203 N N 1.491 120.183 118.700 -0.013 0.000 3.091 203 N HA 0.346 5.089 4.740 0.004 0.000 0.301 203 N C 0.079 175.639 175.510 0.083 0.000 1.325 203 N CA 0.476 53.533 53.050 0.012 0.000 1.143 203 N CB 0.036 38.552 38.487 0.048 0.000 1.450 203 N HN 0.503 nan 8.380 nan 0.000 0.542 204 G N -1.822 107.016 108.800 0.064 0.000 2.975 204 G HA2 0.278 4.241 3.960 0.004 0.000 0.291 204 G HA3 0.278 4.241 3.960 0.004 0.000 0.291 204 G C -0.033 174.910 174.900 0.071 0.000 1.334 204 G CA -0.467 44.684 45.100 0.086 0.000 0.843 204 G HN 0.174 nan 8.290 nan 0.000 0.548 205 T N -2.088 112.497 114.554 0.050 0.000 3.243 205 T HA 0.270 4.623 4.350 0.004 0.000 0.264 205 T C 1.569 176.275 174.700 0.010 0.000 1.000 205 T CA 0.643 62.764 62.100 0.036 0.000 0.901 205 T CB 0.328 69.213 68.868 0.029 0.000 1.083 205 T HN 0.216 nan 8.240 nan 0.000 0.559 206 S N 1.555 117.257 115.700 0.003 0.000 2.383 206 S HA -0.027 4.446 4.470 0.004 0.000 0.229 206 S C 2.455 177.047 174.600 -0.013 0.000 1.030 206 S CA 1.132 59.325 58.200 -0.012 0.000 1.002 206 S CB -0.537 62.653 63.200 -0.017 0.000 0.829 206 S HN 0.826 nan 8.310 nan 0.000 0.467 207 A N 2.761 125.577 122.820 -0.006 0.000 1.841 207 A HA -0.092 4.231 4.320 0.004 0.000 0.214 207 A C 2.274 179.860 177.584 0.004 0.000 1.195 207 A CA 1.746 53.780 52.037 -0.006 0.000 0.611 207 A CB -0.821 18.178 19.000 -0.001 0.000 0.835 207 A HN 0.649 nan 8.150 nan 0.000 0.443 208 M N -1.389 118.218 119.600 0.012 0.000 2.159 208 M HA -0.102 4.380 4.480 0.004 0.000 0.263 208 M C 1.823 178.131 176.300 0.014 0.000 1.063 208 M CA 2.384 57.696 55.300 0.020 0.000 1.110 208 M CB -1.374 31.241 32.600 0.025 0.000 1.374 208 M HN 0.173 nan 8.290 nan 0.000 0.411 209 T N 1.116 115.668 114.554 -0.003 0.000 2.746 209 T HA -0.016 4.337 4.350 0.004 0.000 0.267 209 T C 1.958 176.655 174.700 -0.005 0.000 1.039 209 T CA 1.686 63.775 62.100 -0.018 0.000 1.142 209 T CB -0.794 68.054 68.868 -0.033 0.000 0.866 209 T HN 0.729 nan 8.240 nan 0.000 0.444 210 G N 1.311 110.107 108.800 -0.007 0.000 2.421 210 G HA2 -0.128 3.835 3.960 0.004 0.000 0.216 210 G HA3 -0.128 3.835 3.960 0.004 0.000 0.216 210 G C 1.524 176.437 174.900 0.022 0.000 1.171 210 G CA 0.505 45.600 45.100 -0.007 0.000 0.775 210 G HN 0.490 nan 8.290 nan 0.000 0.543 211 I N 1.466 122.054 120.570 0.030 0.000 2.226 211 I HA -0.179 3.994 4.170 0.004 0.000 0.245 211 I C 3.271 179.442 176.117 0.090 0.000 1.100 211 I CA 1.037 62.370 61.300 0.055 0.000 1.374 211 I CB -0.208 37.822 38.000 0.050 0.000 1.057 211 I HN 0.236 nan 8.210 nan 0.000 0.413 212 A N 1.267 124.144 122.820 0.095 0.000 1.972 212 A HA -0.164 4.159 4.320 0.004 0.000 0.219 212 A C 2.253 179.952 177.584 0.192 0.000 1.169 212 A CA 1.773 53.910 52.037 0.167 0.000 0.635 212 A CB -0.796 18.276 19.000 0.119 0.000 0.810 212 A HN 0.527 nan 8.150 nan 0.000 0.446 213 L N -2.260 119.036 121.223 0.121 0.000 2.156 213 L HA 0.029 4.372 4.340 0.004 0.000 0.208 213 L C 1.983 178.971 176.870 0.197 0.000 1.095 213 L CA 1.472 56.394 54.840 0.136 0.000 0.770 213 L CB -1.050 41.056 42.059 0.079 0.000 0.914 213 L HN -0.005 nan 8.230 nan 0.000 0.439 214 V N 0.945 120.972 119.914 0.189 0.000 2.453 214 V HA -0.172 3.951 4.120 0.004 0.000 0.247 214 V C 2.469 178.686 176.094 0.205 0.000 1.048 214 V CA 1.738 64.187 62.300 0.248 0.000 1.049 214 V CB -0.949 30.982 31.823 0.180 0.000 0.672 214 V HN 0.508 nan 8.190 nan 0.000 0.457 215 N N 0.862 119.657 118.700 0.158 0.000 2.120 215 N HA -0.128 4.615 4.740 0.004 0.000 0.188 215 N C 1.920 177.480 175.510 0.083 0.000 1.024 215 N CA 1.705 54.823 53.050 0.112 0.000 0.852 215 N CB -0.558 37.975 38.487 0.077 0.000 1.003 215 N HN 0.478 nan 8.380 nan 0.000 0.424 216 A N 0.307 123.203 122.820 0.127 0.000 1.908 216 A HA -0.214 4.109 4.320 0.004 0.000 0.218 216 A C 2.117 179.723 177.584 0.037 0.000 1.181 216 A CA 1.896 53.992 52.037 0.099 0.000 0.627 216 A CB -0.940 18.185 19.000 0.208 0.000 0.818 216 A HN 0.469 nan 8.150 nan 0.000 0.445 217 H N -0.387 118.650 119.070 -0.055 0.000 2.357 217 H HA 0.114 4.673 4.556 0.004 0.000 0.301 217 H C 2.180 177.431 175.328 -0.129 0.000 1.082 217 H CA 1.732 57.657 56.048 -0.204 0.000 1.342 217 H CB -0.178 29.295 29.762 -0.481 0.000 1.389 217 H HN 0.398 nan 8.280 nan 0.000 0.511 218 A N -0.347 122.506 122.820 0.056 0.000 1.902 218 A HA -0.165 4.157 4.320 0.004 0.000 0.217 218 A C 2.674 180.256 177.584 -0.005 0.000 1.181 218 A CA 1.396 53.473 52.037 0.067 0.000 0.623 218 A CB -1.198 17.871 19.000 0.115 0.000 0.818 218 A HN 0.640 nan 8.150 nan 0.000 0.443 219 C N -1.200 118.114 119.300 0.022 0.000 2.425 219 C HA -0.057 4.406 4.460 0.004 0.000 0.277 219 C C 2.797 177.774 174.990 -0.022 0.000 1.280 219 C CA 1.188 60.262 59.018 0.092 0.000 1.744 219 C CB -1.330 26.491 27.740 0.135 0.000 1.989 219 C HN 0.728 nan 8.230 nan 0.000 0.491 220 R N -0.113 120.275 120.500 -0.187 0.000 2.073 220 R HA -0.142 4.201 4.340 0.004 0.000 0.234 220 R C 2.253 178.356 176.300 -0.328 0.000 1.134 220 R CA 1.618 57.524 56.100 -0.323 0.000 0.952 220 R CB -0.439 29.569 30.300 -0.485 0.000 0.850 220 R HN 0.610 nan 8.270 nan 0.000 0.433 221 H N 0.546 119.485 119.070 -0.217 0.000 2.357 221 H HA -0.090 4.469 4.556 0.004 0.000 0.301 221 H C 2.197 177.516 175.328 -0.015 0.000 1.082 221 H CA 1.617 57.588 56.048 -0.130 0.000 1.342 221 H CB -0.201 29.489 29.762 -0.119 0.000 1.389 221 H HN 0.251 nan 8.280 nan 0.000 0.511 222 L N -0.201 120.998 121.223 -0.040 0.000 2.083 222 L HA -0.084 4.259 4.340 0.004 0.000 0.209 222 L C 2.748 179.474 176.870 -0.240 0.000 1.083 222 L CA 1.059 55.692 54.840 -0.344 0.000 0.752 222 L CB -0.778 40.687 42.059 -0.990 0.000 0.899 222 L HN 0.300 nan 8.230 nan 0.000 0.433 223 G N -0.094 108.694 108.800 -0.020 0.000 2.422 223 G HA2 -0.250 3.712 3.960 0.004 0.000 0.218 223 G HA3 -0.250 3.712 3.960 0.004 0.000 0.218 223 G C 1.394 176.375 174.900 0.135 0.000 1.146 223 G CA 0.496 45.749 45.100 0.255 0.000 0.769 223 G HN 0.312 nan 8.290 nan 0.000 0.547 224 N N 0.080 118.760 118.700 -0.034 0.000 2.166 224 N HA -0.086 4.657 4.740 0.004 0.000 0.186 224 N C 1.824 177.260 175.510 -0.123 0.000 1.019 224 N CA 0.843 53.821 53.050 -0.119 0.000 0.856 224 N CB -0.318 38.041 38.487 -0.214 0.000 0.993 224 N HN 0.585 nan 8.380 nan 0.000 0.426 225 W N 1.517 122.772 121.300 -0.075 0.000 2.418 225 W HA 0.098 4.761 4.660 0.005 0.000 0.292 225 W C 2.474 178.972 176.519 -0.036 0.000 1.213 225 W CA 1.019 58.318 57.345 -0.077 0.000 1.283 225 W CB -0.401 28.971 29.460 -0.148 0.000 1.119 225 W HN 0.017 nan 8.180 nan 0.000 0.542 226 A N -0.151 122.799 122.820 0.216 0.000 1.940 226 A HA -0.173 4.149 4.320 0.004 0.000 0.219 226 A C 1.978 179.656 177.584 0.157 0.000 1.176 226 A CA 2.140 54.315 52.037 0.230 0.000 0.631 226 A CB -1.035 18.195 19.000 0.383 0.000 0.814 226 A HN 0.108 nan 8.150 nan 0.000 0.446 227 V N -0.462 119.529 119.914 0.128 0.000 2.283 227 V HA -0.158 3.965 4.120 0.004 0.000 0.243 227 V C 3.054 179.139 176.094 -0.016 0.000 1.039 227 V CA 1.767 64.085 62.300 0.031 0.000 1.016 227 V CB -1.165 30.679 31.823 0.035 0.000 0.650 227 V HN 0.597 nan 8.190 nan 0.000 0.449 228 A N -0.271 122.532 122.820 -0.028 0.000 1.940 228 A HA -0.149 4.173 4.320 0.004 0.000 0.219 228 A C 2.188 179.795 177.584 0.039 0.000 1.176 228 A CA 1.746 53.754 52.037 -0.048 0.000 0.631 228 A CB -0.508 18.381 19.000 -0.186 0.000 0.814 228 A HN 0.512 nan 8.150 nan 0.000 0.446 229 L N -1.213 120.073 121.223 0.105 0.000 2.179 229 L HA -0.090 4.252 4.340 0.004 0.000 0.208 229 L C 2.656 179.591 176.870 0.109 0.000 1.096 229 L CA 1.478 56.396 54.840 0.130 0.000 0.779 229 L CB -0.815 41.343 42.059 0.166 0.000 0.922 229 L HN 0.309 nan 8.230 nan 0.000 0.443 230 T N 0.153 114.763 114.554 0.093 0.000 2.821 230 T HA -0.129 4.223 4.350 0.004 0.000 0.267 230 T C 2.030 176.840 174.700 0.184 0.000 1.046 230 T CA 1.309 63.476 62.100 0.111 0.000 1.139 230 T CB -0.097 68.789 68.868 0.030 0.000 0.871 230 T HN 0.427 nan 8.240 nan 0.000 0.454 231 A N 1.160 124.052 122.820 0.120 0.000 1.898 231 A HA 0.019 4.342 4.320 0.004 0.000 0.216 231 A C 2.187 179.889 177.584 0.196 0.000 1.181 231 A CA 1.104 53.271 52.037 0.217 0.000 0.620 231 A CB -0.718 18.343 19.000 0.102 0.000 0.819 231 A HN 0.399 nan 8.150 nan 0.000 0.442 232 L N -0.797 120.502 121.223 0.125 0.000 2.141 232 L HA -0.038 4.304 4.340 0.004 0.000 0.209 232 L C 2.163 179.090 176.870 0.095 0.000 1.094 232 L CA 1.613 56.512 54.840 0.098 0.000 0.763 232 L CB -0.629 41.478 42.059 0.080 0.000 0.908 232 L HN 0.369 nan 8.230 nan 0.000 0.437 233 L N -0.183 121.108 121.223 0.112 0.000 2.083 233 L HA -0.086 4.257 4.340 0.004 0.000 0.209 233 L C 2.462 179.391 176.870 0.097 0.000 1.083 233 L CA 2.017 56.914 54.840 0.094 0.000 0.752 233 L CB -0.956 41.168 42.059 0.109 0.000 0.899 233 L HN 0.251 nan 8.230 nan 0.000 0.433 234 A N -0.904 122.007 122.820 0.151 0.000 1.933 234 A HA -0.189 4.134 4.320 0.004 0.000 0.218 234 A C 2.125 179.736 177.584 0.045 0.000 1.175 234 A CA 1.669 53.761 52.037 0.093 0.000 0.628 234 A CB -0.568 18.507 19.000 0.125 0.000 0.814 234 A HN 0.625 nan 8.150 nan 0.000 0.444 235 E N -1.139 119.103 120.200 0.069 0.000 2.347 235 E HA -0.104 4.249 4.350 0.004 0.000 0.196 235 E C 1.495 178.112 176.600 0.029 0.000 1.008 235 E CA 0.844 57.270 56.400 0.045 0.000 0.852 235 E CB -0.210 29.523 29.700 0.055 0.000 0.783 235 E HN 0.681 nan 8.360 nan 0.000 0.505 236 C N -0.094 119.224 119.300 0.030 0.000 2.735 236 C HA 0.187 4.650 4.460 0.004 0.000 0.271 236 C C 1.632 176.626 174.990 0.006 0.000 1.281 236 C CA -0.062 58.966 59.018 0.016 0.000 1.719 236 C CB -0.099 27.649 27.740 0.013 0.000 2.024 236 C HN 0.304 nan 8.230 nan 0.000 0.566 237 L N 0.072 121.299 121.223 0.007 0.000 3.202 237 L HA 0.295 4.638 4.340 0.004 0.000 0.278 237 L C 0.312 177.173 176.870 -0.015 0.000 1.268 237 L CA -0.091 54.747 54.840 -0.003 0.000 1.034 237 L CB -0.284 41.776 42.059 0.002 0.000 1.407 237 L HN 0.222 nan 8.230 nan 0.000 0.581 238 R N 0.586 121.077 120.500 -0.016 0.000 3.405 238 R HA -0.158 4.184 4.340 0.004 0.000 0.258 238 R C 0.712 176.979 176.300 -0.055 0.000 1.030 238 R CA 0.477 56.560 56.100 -0.028 0.000 0.691 238 R CB -1.882 28.404 30.300 -0.024 0.000 1.093 238 R HN 0.525 nan 8.270 nan 0.000 0.448 239 G N 0.672 109.427 108.800 -0.076 0.000 2.554 239 G HA2 0.171 4.134 3.960 0.004 0.000 0.238 239 G HA3 0.171 4.134 3.960 0.004 0.000 0.238 239 G C 0.062 174.824 174.900 -0.231 0.000 1.259 239 G CA -0.534 44.476 45.100 -0.151 0.000 0.843 239 G HN 0.247 nan 8.290 nan 0.000 0.582 240 R N 0.623 120.952 120.500 -0.285 0.000 2.221 240 R HA 0.241 4.584 4.340 0.004 0.000 0.327 240 R C 1.573 177.570 176.300 -0.505 0.000 1.033 240 R CA 0.175 56.104 56.100 -0.284 0.000 0.887 240 R CB 0.925 31.116 30.300 -0.182 0.000 1.057 240 R HN 0.704 nan 8.270 nan 0.000 0.455 241 T N -1.167 113.145 114.554 -0.404 0.000 3.035 241 T HA -0.142 4.210 4.350 0.004 0.000 0.268 241 T C 1.439 175.995 174.700 -0.239 0.000 1.109 241 T CA 0.956 62.802 62.100 -0.422 0.000 1.119 241 T CB -0.045 68.727 68.868 -0.159 0.000 0.900 241 T HN 0.745 nan 8.240 nan 0.000 0.503 242 E N 1.882 121.980 120.200 -0.170 0.000 2.204 242 E HA -0.044 4.308 4.350 0.004 0.000 0.195 242 E C 2.227 178.798 176.600 -0.048 0.000 0.990 242 E CA 0.949 57.306 56.400 -0.073 0.000 0.821 242 E CB -0.585 29.087 29.700 -0.047 0.000 0.750 242 E HN 0.612 nan 8.360 nan 0.000 0.477 243 A N 0.747 123.488 122.820 -0.132 0.000 2.121 243 A HA -0.087 4.235 4.320 0.004 0.000 0.218 243 A C 0.951 178.674 177.584 0.232 0.000 1.154 243 A CA 0.671 52.700 52.037 -0.013 0.000 0.679 243 A CB -0.600 18.357 19.000 -0.073 0.000 0.795 243 A HN 0.500 nan 8.150 nan 0.000 0.458 244 W N -0.370 120.933 121.300 0.005 0.000 3.239 244 W HA 0.604 5.267 4.660 0.004 0.000 0.368 244 W C 0.772 177.295 176.519 0.006 0.000 1.154 244 W CA -1.104 56.245 57.345 0.006 0.000 1.860 244 W CB -1.346 28.120 29.460 0.011 0.000 1.094 244 W HN 0.340 nan 8.180 nan 0.000 0.643 245 A N 0.849 123.781 122.820 0.187 0.000 2.498 245 A HA 0.444 4.767 4.320 0.004 0.000 0.239 245 A C 1.675 179.313 177.584 0.090 0.000 1.068 245 A CA 0.688 52.790 52.037 0.110 0.000 0.766 245 A CB 0.605 19.642 19.000 0.062 0.000 1.003 245 A HN 0.251 nan 8.150 nan 0.000 0.497 246 A N 2.499 125.360 122.820 0.068 0.000 1.972 246 A HA 0.112 4.435 4.320 0.004 0.000 0.219 246 A C 2.361 179.967 177.584 0.036 0.000 1.169 246 A CA 2.256 54.322 52.037 0.049 0.000 0.635 246 A CB -0.956 18.067 19.000 0.037 0.000 0.810 246 A HN 1.755 nan 8.150 nan 0.000 0.446 247 A N -0.221 122.619 122.820 0.032 0.000 1.940 247 A HA -0.107 4.216 4.320 0.004 0.000 0.219 247 A C 2.155 179.752 177.584 0.021 0.000 1.176 247 A CA 1.586 53.636 52.037 0.022 0.000 0.631 247 A CB -0.562 18.449 19.000 0.018 0.000 0.814 247 A HN 0.499 nan 8.150 nan 0.000 0.446 248 L N -0.638 120.604 121.223 0.033 0.000 2.056 248 L HA -0.149 4.193 4.340 0.004 0.000 0.207 248 L C 2.862 179.748 176.870 0.026 0.000 1.078 248 L CA 1.429 56.288 54.840 0.031 0.000 0.749 248 L CB -0.420 41.668 42.059 0.049 0.000 0.901 248 L HN 0.343 nan 8.230 nan 0.000 0.433 249 S N -0.308 115.412 115.700 0.033 0.000 2.368 249 S HA -0.191 4.282 4.470 0.004 0.000 0.225 249 S C 1.503 176.107 174.600 0.008 0.000 1.030 249 S CA 1.369 59.585 58.200 0.027 0.000 0.999 249 S CB -0.316 62.904 63.200 0.033 0.000 0.844 249 S HN 0.443 nan 8.310 nan 0.000 0.459 250 D N 1.519 121.923 120.400 0.006 0.000 2.149 250 D HA -0.043 4.599 4.640 0.004 0.000 0.198 250 D C 1.724 178.013 176.300 -0.019 0.000 0.990 250 D CA 0.775 54.771 54.000 -0.005 0.000 0.839 250 D CB -0.309 40.490 40.800 -0.001 0.000 0.948 250 D HN 0.340 nan 8.370 nan 0.000 0.460 251 L N -0.584 120.631 121.223 -0.014 0.000 2.376 251 L HA 0.017 4.359 4.340 0.004 0.000 0.219 251 L C 1.540 178.385 176.870 -0.042 0.000 1.133 251 L CA 0.512 55.339 54.840 -0.022 0.000 0.816 251 L CB 0.109 42.161 42.059 -0.011 0.000 0.933 251 L HN -0.177 nan 8.230 nan 0.000 0.449 252 R N 0.741 121.212 120.500 -0.048 0.000 2.644 252 R HA 0.191 4.534 4.340 0.004 0.000 0.271 252 R C -2.209 174.013 176.300 -0.130 0.000 1.687 252 R CA -1.371 54.673 56.100 -0.093 0.000 1.655 252 R CB 0.884 31.171 30.300 -0.021 0.000 1.285 252 R HN -0.150 nan 8.270 nan 0.000 0.643 253 P HA -0.083 nan 4.420 nan 0.000 0.272 253 P C -0.719 176.504 177.300 -0.128 0.000 1.542 253 P CA 0.268 63.298 63.100 -0.117 0.000 0.846 253 P CB -0.327 31.319 31.700 -0.089 0.000 1.782 254 H N 0.891 119.961 119.070 -0.000 0.000 2.767 254 H HA 0.108 4.666 4.556 0.005 0.000 0.316 254 H C -1.317 174.022 175.328 0.018 0.000 1.059 254 H CA -1.647 54.403 56.048 0.003 0.000 1.461 254 H CB 0.606 30.364 29.762 -0.007 0.000 1.475 254 H HN 0.082 nan 8.280 nan 0.000 0.531 255 P HA -0.171 nan 4.420 nan 0.000 0.216 255 P C 1.641 179.016 177.300 0.125 0.000 1.157 255 P CA 1.751 64.915 63.100 0.105 0.000 0.880 255 P CB 0.126 31.883 31.700 0.094 0.000 0.791 256 G N -0.566 108.324 108.800 0.150 0.000 2.422 256 G HA2 -0.295 3.668 3.960 0.004 0.000 0.218 256 G HA3 -0.295 3.668 3.960 0.004 0.000 0.218 256 G C 1.668 176.654 174.900 0.143 0.000 1.146 256 G CA 0.697 45.912 45.100 0.191 0.000 0.769 256 G HN 0.324 nan 8.290 nan 0.000 0.547 257 Q N 0.120 119.976 119.800 0.093 0.000 2.046 257 Q HA -0.068 4.274 4.340 0.004 0.000 0.200 257 Q C 2.477 178.507 176.000 0.051 0.000 0.975 257 Q CA 1.570 57.400 55.803 0.045 0.000 0.836 257 Q CB -0.213 28.571 28.738 0.077 0.000 0.896 257 Q HN 0.491 nan 8.270 nan 0.000 0.428 258 K N 0.143 120.584 120.400 0.068 0.000 2.063 258 K HA -0.243 4.080 4.320 0.004 0.000 0.208 258 K C 1.661 178.292 176.600 0.051 0.000 1.048 258 K CA 1.938 58.255 56.287 0.050 0.000 0.928 258 K CB -0.183 32.344 32.500 0.045 0.000 0.713 258 K HN 0.213 nan 8.250 nan 0.000 0.442 259 D N -0.224 120.223 120.400 0.079 0.000 2.097 259 D HA -0.098 4.545 4.640 0.004 0.000 0.197 259 D C 1.721 178.080 176.300 0.098 0.000 0.984 259 D CA 1.510 55.560 54.000 0.082 0.000 0.826 259 D CB -0.074 40.789 40.800 0.105 0.000 0.973 259 D HN 0.326 nan 8.370 nan 0.000 0.460 260 A N 0.519 123.431 122.820 0.153 0.000 1.908 260 A HA -0.003 4.319 4.320 0.004 0.000 0.218 260 A C 2.378 179.918 177.584 -0.073 0.000 1.181 260 A CA 2.351 54.452 52.037 0.107 0.000 0.627 260 A CB -1.130 17.846 19.000 -0.040 0.000 0.818 260 A HN 0.329 nan 8.150 nan 0.000 0.445 261 A N -0.264 122.511 122.820 -0.075 0.000 1.902 261 A HA 0.186 4.508 4.320 0.004 0.000 0.217 261 A C 2.500 180.056 177.584 -0.047 0.000 1.181 261 A CA 2.042 54.017 52.037 -0.102 0.000 0.623 261 A CB -0.983 18.016 19.000 -0.001 0.000 0.818 261 A HN 1.060 nan 8.150 nan 0.000 0.443 262 A N -0.217 122.598 122.820 -0.008 0.000 1.933 262 A HA -0.142 4.180 4.320 0.004 0.000 0.218 262 A C 2.231 179.807 177.584 -0.014 0.000 1.175 262 A CA 1.559 53.599 52.037 0.006 0.000 0.628 262 A CB -0.405 18.602 19.000 0.011 0.000 0.814 262 A HN 0.541 nan 8.150 nan 0.000 0.444 263 R N -0.697 119.784 120.500 -0.032 0.000 2.115 263 R HA 0.082 4.425 4.340 0.004 0.000 0.226 263 R C 1.974 178.223 176.300 -0.085 0.000 1.100 263 R CA 1.066 57.137 56.100 -0.048 0.000 0.980 263 R CB -0.384 29.896 30.300 -0.034 0.000 0.875 263 R HN 0.491 nan 8.270 nan 0.000 0.445 264 L N 0.144 121.262 121.223 -0.174 0.000 2.027 264 L HA -0.143 4.200 4.340 0.004 0.000 0.206 264 L C 2.524 179.372 176.870 -0.038 0.000 1.074 264 L CA 1.383 56.034 54.840 -0.314 0.000 0.745 264 L CB -0.320 41.181 42.059 -0.930 0.000 0.898 264 L HN 0.124 nan 8.230 nan 0.000 0.433 265 R N -0.066 120.472 120.500 0.062 0.000 2.083 265 R HA -0.185 4.158 4.340 0.004 0.000 0.237 265 R C 2.385 178.742 176.300 0.096 0.000 1.137 265 R CA 1.474 57.672 56.100 0.164 0.000 0.951 265 R CB -0.628 29.751 30.300 0.130 0.000 0.851 265 R HN 0.370 nan 8.270 nan 0.000 0.434 266 A N 1.315 124.159 122.820 0.041 0.000 1.940 266 A HA -0.163 4.160 4.320 0.004 0.000 0.219 266 A C 2.069 179.665 177.584 0.021 0.000 1.176 266 A CA 1.182 53.231 52.037 0.021 0.000 0.631 266 A CB -0.294 18.703 19.000 -0.004 0.000 0.814 266 A HN 0.115 nan 8.150 nan 0.000 0.446 267 R N -0.280 120.230 120.500 0.017 0.000 2.081 267 R HA -0.106 4.237 4.340 0.004 0.000 0.235 267 R C 1.943 178.277 176.300 0.057 0.000 1.131 267 R CA 1.742 57.852 56.100 0.018 0.000 0.960 267 R CB -1.328 28.972 30.300 0.000 0.000 0.856 267 R HN 0.675 nan 8.270 nan 0.000 0.436 268 V N -0.712 119.268 119.914 0.110 0.000 3.633 268 V HA 0.106 4.228 4.120 0.004 0.000 0.283 268 V C 0.177 176.318 176.094 0.079 0.000 1.305 268 V CA -0.541 61.830 62.300 0.118 0.000 1.153 268 V CB -0.553 31.386 31.823 0.193 0.000 0.950 268 V HN -0.081 nan 8.190 nan 0.000 0.432 269 D N 1.520 121.956 120.400 0.061 0.000 2.450 269 D HA 0.422 5.065 4.640 0.004 0.000 0.247 269 D C 1.397 177.714 176.300 0.029 0.000 1.162 269 D CA 1.826 55.850 54.000 0.041 0.000 0.879 269 D CB 0.465 41.283 40.800 0.030 0.000 1.163 269 D HN 0.570 nan 8.370 nan 0.000 0.472 270 G N 2.432 111.245 108.800 0.022 0.000 2.176 270 G HA2 -0.238 3.724 3.960 0.004 0.000 0.232 270 G HA3 -0.238 3.724 3.960 0.004 0.000 0.232 270 G C 0.434 175.345 174.900 0.018 0.000 0.986 270 G CA 0.227 45.336 45.100 0.016 0.000 0.643 270 G HN 0.773 nan 8.290 nan 0.000 0.522 271 S N 0.160 115.874 115.700 0.024 0.000 2.548 271 S HA 0.667 5.139 4.470 0.004 0.000 0.277 271 S C 1.140 175.750 174.600 0.016 0.000 1.315 271 S CA 0.863 59.078 58.200 0.025 0.000 1.050 271 S CB 1.290 64.512 63.200 0.037 0.000 0.918 271 S HN 1.608 nan 8.310 nan 0.000 0.497 272 A N 5.281 128.111 122.820 0.016 0.000 2.503 272 A HA 0.361 4.684 4.320 0.004 0.000 0.263 272 A C 1.589 179.183 177.584 0.017 0.000 1.258 272 A CA -0.378 51.668 52.037 0.015 0.000 0.936 272 A CB 0.094 19.103 19.000 0.015 0.000 1.070 272 A HN 0.713 nan 8.150 nan 0.000 0.522 273 R N -0.314 120.196 120.500 0.016 0.000 2.282 273 R HA 0.130 4.472 4.340 0.004 0.000 0.195 273 R C 0.806 177.109 176.300 0.005 0.000 0.909 273 R CA 0.961 57.069 56.100 0.013 0.000 1.039 273 R CB -0.240 30.071 30.300 0.017 0.000 1.015 273 R HN 0.493 nan 8.270 nan 0.000 0.513 274 V N -1.072 118.842 119.914 0.000 0.000 3.134 274 V HA 0.448 4.570 4.120 0.004 0.000 0.313 274 V C 0.518 176.603 176.094 -0.016 0.000 1.069 274 V CA -0.891 61.393 62.300 -0.027 0.000 1.048 274 V CB 1.793 33.586 31.823 -0.050 0.000 1.119 274 V HN -0.256 nan 8.190 nan 0.000 0.461 275 V N 3.180 123.074 119.914 -0.033 0.000 2.364 275 V HA 0.456 4.579 4.120 0.004 0.000 0.272 275 V C 0.999 177.095 176.094 0.004 0.000 1.036 275 V CA -0.277 62.040 62.300 0.030 0.000 0.880 275 V CB 0.715 32.545 31.823 0.011 0.000 0.991 275 V HN 0.917 nan 8.190 nan 0.000 0.460 276 R N 1.639 122.149 120.500 0.017 0.000 2.362 276 R HA 0.196 4.539 4.340 0.004 0.000 0.227 276 R C -0.315 175.902 176.300 -0.138 0.000 0.905 276 R CA -0.204 55.837 56.100 -0.098 0.000 1.067 276 R CB 0.210 30.417 30.300 -0.155 0.000 1.078 276 R HN 0.742 nan 8.270 nan 0.000 0.516 277 H N -0.027 119.018 119.070 -0.042 0.000 2.646 277 H HA 0.116 4.674 4.556 0.004 0.000 0.325 277 H C -0.138 175.168 175.328 -0.036 0.000 1.075 277 H CA -0.294 55.734 56.048 -0.033 0.000 1.421 277 H CB 0.995 30.740 29.762 -0.028 0.000 1.461 277 H HN -0.223 nan 8.280 nan 0.000 0.525 278 V N 5.697 125.651 119.914 0.066 0.000 2.470 278 V HA -0.056 4.067 4.120 0.004 0.000 0.276 278 V C 1.891 178.013 176.094 0.046 0.000 1.040 278 V CA 0.139 62.459 62.300 0.032 0.000 1.008 278 V CB -0.112 31.720 31.823 0.014 0.000 0.990 278 V HN 0.839 nan 8.190 nan 0.000 0.477 279 I N 3.341 123.927 120.570 0.026 0.000 2.361 279 I HA -0.092 4.081 4.170 0.004 0.000 0.251 279 I C 2.102 178.226 176.117 0.012 0.000 1.133 279 I CA 1.810 63.119 61.300 0.016 0.000 1.413 279 I CB -0.339 37.661 38.000 0.000 0.000 1.073 279 I HN 0.575 nan 8.210 nan 0.000 0.424 280 A N 1.237 124.063 122.820 0.011 0.000 2.225 280 A HA -0.136 4.186 4.320 0.004 0.000 0.215 280 A C 2.116 179.706 177.584 0.011 0.000 1.164 280 A CA 1.393 53.435 52.037 0.008 0.000 0.710 280 A CB -0.723 18.281 19.000 0.007 0.000 0.780 280 A HN 0.672 nan 8.150 nan 0.000 0.473 281 E N -0.406 119.804 120.200 0.017 0.000 2.285 281 E HA -0.072 4.280 4.350 0.004 0.000 0.194 281 E C 1.178 177.788 176.600 0.016 0.000 0.997 281 E CA -0.088 56.323 56.400 0.019 0.000 0.845 281 E CB -0.052 29.666 29.700 0.030 0.000 0.782 281 E HN 0.555 nan 8.360 nan 0.000 0.491 282 R N 2.101 122.609 120.500 0.012 0.000 2.401 282 R HA 0.091 4.434 4.340 0.004 0.000 0.299 282 R C -0.567 175.733 176.300 0.000 0.000 1.064 282 R CA -0.024 56.078 56.100 0.003 0.000 1.000 282 R CB 0.430 30.726 30.300 -0.007 0.000 0.973 282 R HN -0.086 nan 8.270 nan 0.000 0.438 283 R N 4.808 125.307 120.500 -0.000 0.000 2.312 283 R HA 0.312 4.654 4.340 0.004 0.000 0.311 283 R C -0.424 175.874 176.300 -0.004 0.000 1.004 283 R CA -0.549 55.550 56.100 -0.001 0.000 0.902 283 R CB 1.184 31.484 30.300 0.000 0.000 1.073 283 R HN 0.478 nan 8.270 nan 0.000 0.457 284 L N 2.395 123.616 121.223 -0.004 0.000 2.375 284 L HA 0.422 4.765 4.340 0.004 0.000 0.268 284 L C -0.015 176.852 176.870 -0.005 0.000 1.058 284 L CA -0.645 54.191 54.840 -0.006 0.000 0.803 284 L CB 1.126 43.181 42.059 -0.006 0.000 1.212 284 L HN 0.701 nan 8.230 nan 0.000 0.451 285 D N 0.300 120.697 120.400 -0.006 0.000 2.592 285 D HA 0.431 5.074 4.640 0.004 0.000 0.263 285 D C 0.474 176.771 176.300 -0.005 0.000 1.132 285 D CA -0.325 53.672 54.000 -0.005 0.000 0.996 285 D CB 1.342 42.139 40.800 -0.005 0.000 1.442 285 D HN 0.439 nan 8.370 nan 0.000 0.486 286 A N 0.234 123.051 122.820 -0.005 0.000 1.927 286 A HA -0.051 4.272 4.320 0.004 0.000 0.220 286 A C 2.035 179.615 177.584 -0.005 0.000 1.185 286 A CA 2.460 54.494 52.037 -0.005 0.000 0.639 286 A CB -1.697 17.301 19.000 -0.004 0.000 0.820 286 A HN 0.746 nan 8.150 nan 0.000 0.451 287 G N -1.117 107.679 108.800 -0.006 0.000 2.559 287 G HA2 -0.123 3.839 3.960 0.004 0.000 0.216 287 G HA3 -0.123 3.839 3.960 0.004 0.000 0.216 287 G C 0.934 175.829 174.900 -0.008 0.000 1.126 287 G CA 1.025 46.121 45.100 -0.007 0.000 0.778 287 G HN 0.535 nan 8.290 nan 0.000 0.543 288 D N 0.249 120.644 120.400 -0.009 0.000 2.333 288 D HA 0.023 4.666 4.640 0.004 0.000 0.208 288 D C 0.881 177.176 176.300 -0.010 0.000 0.984 288 D CA -0.037 53.957 54.000 -0.010 0.000 0.873 288 D CB 0.431 41.224 40.800 -0.011 0.000 0.935 288 D HN 0.141 nan 8.370 nan 0.000 0.521 289 I N 1.726 122.291 120.570 -0.008 0.000 2.578 289 I HA 0.301 4.474 4.170 0.004 0.000 0.286 289 I C 1.273 177.385 176.117 -0.007 0.000 1.126 289 I CA 0.614 61.909 61.300 -0.007 0.000 1.380 289 I CB -0.040 37.956 38.000 -0.006 0.000 1.408 289 I HN -0.071 nan 8.210 nan 0.000 0.532 290 G N 5.199 113.994 108.800 -0.008 0.000 2.335 290 G HA2 0.235 4.198 3.960 0.004 0.000 0.291 290 G HA3 0.235 4.198 3.960 0.004 0.000 0.291 290 G C -1.207 173.688 174.900 -0.009 0.000 1.261 290 G CA -0.620 44.475 45.100 -0.008 0.000 0.871 290 G HN 0.319 nan 8.290 nan 0.000 0.491 291 T N 1.900 116.448 114.554 -0.010 0.000 2.744 291 T HA 0.540 4.893 4.350 0.004 0.000 0.291 291 T C -0.153 174.540 174.700 -0.013 0.000 0.957 291 T CA -0.202 61.892 62.100 -0.011 0.000 1.002 291 T CB 1.265 70.127 68.868 -0.010 0.000 0.919 291 T HN 0.422 nan 8.240 nan 0.000 0.468 292 E N 3.163 123.354 120.200 -0.014 0.000 2.283 292 E HA 0.213 4.565 4.350 0.004 0.000 0.267 292 E C -1.337 175.252 176.600 -0.017 0.000 1.045 292 E CA -2.032 54.358 56.400 -0.017 0.000 0.884 292 E CB 0.784 30.472 29.700 -0.020 0.000 1.106 292 E HN 0.335 nan 8.360 nan 0.000 0.408 293 P HA -0.114 nan 4.420 nan 0.000 0.215 293 P C -0.263 177.025 177.300 -0.020 0.000 1.153 293 P CA 1.399 64.487 63.100 -0.019 0.000 0.853 293 P CB 0.355 32.043 31.700 -0.020 0.000 0.788 294 E N -1.426 118.761 120.200 -0.022 0.000 2.312 294 E HA 0.558 4.910 4.350 0.004 0.000 0.267 294 E C -0.592 175.995 176.600 -0.021 0.000 0.894 294 E CA -0.972 55.414 56.400 -0.022 0.000 0.773 294 E CB 2.145 31.830 29.700 -0.025 0.000 1.241 294 E HN -0.076 nan 8.360 nan 0.000 0.432 295 A N 0.511 123.320 122.820 -0.018 0.000 2.346 295 A HA 0.450 4.773 4.320 0.004 0.000 0.252 295 A C 1.236 178.811 177.584 -0.015 0.000 1.089 295 A CA 0.444 52.473 52.037 -0.014 0.000 0.797 295 A CB 0.052 19.046 19.000 -0.009 0.000 1.047 295 A HN 0.664 nan 8.150 nan 0.000 0.494 296 G N -0.697 108.096 108.800 -0.012 0.000 2.776 296 G HA2 0.276 4.239 3.960 0.004 0.000 0.209 296 G HA3 0.276 4.239 3.960 0.004 0.000 0.209 296 G C 0.440 175.332 174.900 -0.013 0.000 1.145 296 G CA 0.451 45.543 45.100 -0.014 0.000 0.791 296 G HN 0.726 nan 8.290 nan 0.000 0.530 297 Q N -0.001 119.796 119.800 -0.005 0.000 2.421 297 Q HA 0.318 4.660 4.340 0.004 0.000 0.280 297 Q C -1.514 174.490 176.000 0.008 0.000 1.085 297 Q CA -1.062 54.742 55.803 0.001 0.000 0.807 297 Q CB 1.998 30.753 28.738 0.028 0.000 1.405 297 Q HN 0.011 nan 8.270 nan 0.000 0.419 298 D N 0.671 121.075 120.400 0.006 0.000 2.383 298 D HA 0.375 5.017 4.640 0.004 0.000 0.248 298 D C -0.178 176.170 176.300 0.079 0.000 1.170 298 D CA -0.090 53.922 54.000 0.020 0.000 0.977 298 D CB 0.845 41.645 40.800 0.000 0.000 1.120 298 D HN 0.621 nan 8.370 nan 0.000 0.481 299 A N 0.438 123.297 122.820 0.066 0.000 2.386 299 A HA 0.017 4.340 4.320 0.004 0.000 0.246 299 A C 0.654 178.373 177.584 0.226 0.000 1.089 299 A CA -0.126 51.957 52.037 0.077 0.000 0.790 299 A CB -0.078 18.929 19.000 0.013 0.000 1.042 299 A HN 0.538 nan 8.150 nan 0.000 0.497 300 Y N 0.914 121.230 120.300 0.027 0.000 2.256 300 Y HA -0.205 4.348 4.550 0.004 0.000 0.288 300 Y C 2.902 178.836 175.900 0.056 0.000 1.155 300 Y CA 1.634 59.757 58.100 0.038 0.000 1.203 300 Y CB -1.301 37.173 38.460 0.023 0.000 0.980 300 Y HN 0.734 nan 8.280 nan 0.000 0.530 301 S N -1.091 114.736 115.700 0.212 0.000 2.500 301 S HA -0.094 4.379 4.470 0.004 0.000 0.239 301 S C 1.785 176.490 174.600 0.175 0.000 0.989 301 S CA 1.047 59.339 58.200 0.153 0.000 0.951 301 S CB -0.518 62.747 63.200 0.108 0.000 0.759 301 S HN 0.457 nan 8.310 nan 0.000 0.523 302 L N -0.340 121.006 121.223 0.205 0.000 2.588 302 L HA 0.360 4.703 4.340 0.004 0.000 0.194 302 L C 2.723 179.816 176.870 0.372 0.000 1.070 302 L CA 0.191 55.203 54.840 0.288 0.000 0.852 302 L CB -0.198 41.965 42.059 0.174 0.000 1.199 302 L HN 0.163 nan 8.230 nan 0.000 0.486 303 R N -0.072 120.562 120.500 0.223 0.000 2.096 303 R HA -0.137 4.206 4.340 0.004 0.000 0.235 303 R C 1.589 177.998 176.300 0.182 0.000 1.127 303 R CA 1.784 57.993 56.100 0.181 0.000 0.968 303 R CB -0.196 30.171 30.300 0.112 0.000 0.861 303 R HN 0.389 nan 8.270 nan 0.000 0.440 304 C N 0.324 119.686 119.300 0.102 0.000 2.693 304 C HA 0.429 4.892 4.460 0.004 0.000 0.286 304 C C 2.168 177.166 174.990 0.012 0.000 1.277 304 C CA -0.353 58.657 59.018 -0.013 0.000 1.705 304 C CB -0.441 27.186 27.740 -0.188 0.000 1.879 304 C HN 0.626 nan 8.230 nan 0.000 0.607 305 A N 2.690 125.564 122.820 0.089 0.000 1.908 305 A HA -0.120 4.203 4.320 0.004 0.000 0.218 305 A C 0.031 177.527 177.584 -0.146 0.000 1.181 305 A CA 1.851 53.874 52.037 -0.023 0.000 0.627 305 A CB -1.582 17.406 19.000 -0.020 0.000 0.818 305 A HN 0.419 nan 8.150 nan 0.000 0.445 306 P HA -0.147 nan 4.420 nan 0.000 0.215 306 P C 1.274 178.491 177.300 -0.137 0.000 1.153 306 P CA 1.489 64.490 63.100 -0.164 0.000 0.853 306 P CB -0.048 31.601 31.700 -0.085 0.000 0.788 307 Q N -0.984 118.758 119.800 -0.097 0.000 2.083 307 Q HA -0.075 4.268 4.340 0.004 0.000 0.198 307 Q C 2.119 178.027 176.000 -0.153 0.000 0.969 307 Q CA 1.221 56.963 55.803 -0.102 0.000 0.838 307 Q CB -1.320 27.368 28.738 -0.084 0.000 0.900 307 Q HN 0.097 nan 8.270 nan 0.000 0.436 308 V N 0.236 120.057 119.914 -0.156 0.000 2.283 308 V HA -0.187 3.935 4.120 0.004 0.000 0.243 308 V C 2.073 178.005 176.094 -0.270 0.000 1.039 308 V CA 1.387 63.584 62.300 -0.172 0.000 1.016 308 V CB -0.568 31.184 31.823 -0.118 0.000 0.650 308 V HN 0.298 nan 8.190 nan 0.000 0.449 309 L N 0.610 121.624 121.223 -0.349 0.000 2.083 309 L HA -0.100 4.243 4.340 0.004 0.000 0.209 309 L C 2.647 178.932 176.870 -0.975 0.000 1.083 309 L CA 1.759 56.195 54.840 -0.673 0.000 0.752 309 L CB -1.172 40.496 42.059 -0.652 0.000 0.899 309 L HN 0.486 nan 8.230 nan 0.000 0.433 310 G N -0.394 108.076 108.800 -0.551 0.000 2.418 310 G HA2 -0.251 3.711 3.960 0.004 0.000 0.217 310 G HA3 -0.251 3.711 3.960 0.004 0.000 0.217 310 G C 1.780 176.555 174.900 -0.207 0.000 1.158 310 G CA 0.813 45.724 45.100 -0.315 0.000 0.771 310 G HN 0.470 nan 8.290 nan 0.000 0.545 311 A N 0.846 123.528 122.820 -0.229 0.000 1.902 311 A HA 0.156 4.479 4.320 0.004 0.000 0.217 311 A C 2.697 180.211 177.584 -0.117 0.000 1.181 311 A CA 2.092 54.020 52.037 -0.183 0.000 0.623 311 A CB -1.015 17.871 19.000 -0.189 0.000 0.818 311 A HN 0.518 nan 8.150 nan 0.000 0.443 312 G N -1.071 107.626 108.800 -0.170 0.000 2.418 312 G HA2 -0.119 3.843 3.960 0.004 0.000 0.217 312 G HA3 -0.119 3.843 3.960 0.004 0.000 0.217 312 G C 1.281 176.274 174.900 0.154 0.000 1.158 312 G CA 1.052 46.111 45.100 -0.068 0.000 0.771 312 G HN 0.383 nan 8.290 nan 0.000 0.545 313 F N 1.675 121.630 119.950 0.009 0.000 2.216 313 F HA 0.041 4.570 4.527 0.004 0.000 0.300 313 F C 2.269 178.094 175.800 0.042 0.000 1.085 313 F CA 0.373 58.390 58.000 0.029 0.000 1.326 313 F CB -0.636 38.374 39.000 0.017 0.000 1.027 313 F HN 0.115 nan 8.300 nan 0.000 0.497 314 D N -0.635 119.888 120.400 0.206 0.000 2.224 314 D HA -0.090 4.553 4.640 0.004 0.000 0.205 314 D C 2.213 178.618 176.300 0.175 0.000 0.965 314 D CA 1.272 55.361 54.000 0.147 0.000 0.852 314 D CB -0.323 40.510 40.800 0.055 0.000 0.947 314 D HN 0.190 nan 8.370 nan 0.000 0.494 315 T N 1.038 115.689 114.554 0.161 0.000 2.812 315 T HA -0.096 4.256 4.350 0.004 0.000 0.264 315 T C 1.890 176.760 174.700 0.284 0.000 1.042 315 T CA 0.326 62.562 62.100 0.227 0.000 1.140 315 T CB -0.166 68.788 68.868 0.143 0.000 0.870 315 T HN 0.039 nan 8.240 nan 0.000 0.445 316 L N 1.543 122.893 121.223 0.211 0.000 2.083 316 L HA 0.109 4.452 4.340 0.004 0.000 0.209 316 L C 2.563 179.557 176.870 0.206 0.000 1.083 316 L CA 1.702 56.646 54.840 0.173 0.000 0.752 316 L CB -0.967 41.174 42.059 0.137 0.000 0.899 316 L HN 0.214 nan 8.230 nan 0.000 0.433 317 A N -1.211 121.730 122.820 0.202 0.000 1.902 317 A HA -0.277 4.045 4.320 0.004 0.000 0.217 317 A C 2.122 179.844 177.584 0.230 0.000 1.181 317 A CA 1.731 53.875 52.037 0.178 0.000 0.623 317 A CB -1.420 17.677 19.000 0.161 0.000 0.818 317 A HN 0.739 nan 8.150 nan 0.000 0.443 318 W N 0.333 121.691 121.300 0.097 0.000 2.379 318 W HA -0.178 4.484 4.660 0.004 0.000 0.307 318 W C 2.250 178.833 176.519 0.107 0.000 1.200 318 W CA 1.881 59.278 57.345 0.086 0.000 1.297 318 W CB -0.749 28.756 29.460 0.075 0.000 1.140 318 W HN 0.626 nan 8.180 nan 0.000 0.507 319 H N 0.138 119.157 119.070 -0.086 0.000 2.319 319 H HA -0.176 4.383 4.556 0.004 0.000 0.297 319 H C 1.345 176.562 175.328 -0.185 0.000 1.097 319 H CA 2.419 58.313 56.048 -0.256 0.000 1.285 319 H CB -0.494 29.227 29.762 -0.069 0.000 1.368 319 H HN 0.063 nan 8.280 nan 0.000 0.495 320 D N 0.206 120.634 120.400 0.047 0.000 2.178 320 D HA -0.068 4.574 4.640 0.004 0.000 0.202 320 D C 2.587 178.847 176.300 -0.068 0.000 0.974 320 D CA 0.535 54.535 54.000 -0.000 0.000 0.841 320 D CB -0.223 40.628 40.800 0.086 0.000 0.953 320 D HN 0.384 nan 8.370 nan 0.000 0.478 321 R N 0.311 120.782 120.500 -0.048 0.000 2.073 321 R HA -0.057 4.286 4.340 0.004 0.000 0.234 321 R C 2.321 178.558 176.300 -0.105 0.000 1.134 321 R CA 0.745 56.827 56.100 -0.029 0.000 0.952 321 R CB -0.449 29.880 30.300 0.048 0.000 0.850 321 R HN 0.095 nan 8.270 nan 0.000 0.433 322 V N 1.376 121.146 119.914 -0.239 0.000 2.358 322 V HA -0.222 3.901 4.120 0.004 0.000 0.246 322 V C 2.216 178.160 176.094 -0.251 0.000 1.047 322 V CA 1.427 63.562 62.300 -0.274 0.000 1.035 322 V CB -0.419 31.122 31.823 -0.471 0.000 0.658 322 V HN 0.231 nan 8.190 nan 0.000 0.452 323 L N -0.065 120.968 121.223 -0.316 0.000 2.083 323 L HA -0.140 4.203 4.340 0.004 0.000 0.209 323 L C 2.442 179.223 176.870 -0.149 0.000 1.083 323 L CA 2.314 56.996 54.840 -0.264 0.000 0.752 323 L CB -0.913 40.941 42.059 -0.341 0.000 0.899 323 L HN 0.341 nan 8.230 nan 0.000 0.433 324 T N -0.194 114.298 114.554 -0.104 0.000 2.746 324 T HA -0.164 4.189 4.350 0.004 0.000 0.267 324 T C 1.958 176.639 174.700 -0.031 0.000 1.039 324 T CA 2.004 64.079 62.100 -0.041 0.000 1.142 324 T CB -0.284 68.604 68.868 0.033 0.000 0.866 324 T HN 0.314 nan 8.240 nan 0.000 0.444 325 I N 0.700 121.240 120.570 -0.050 0.000 2.179 325 I HA -0.146 4.027 4.170 0.004 0.000 0.242 325 I C 2.721 178.784 176.117 -0.090 0.000 1.088 325 I CA 1.317 62.583 61.300 -0.057 0.000 1.357 325 I CB -0.306 37.638 38.000 -0.093 0.000 1.051 325 I HN 0.217 nan 8.210 nan 0.000 0.409 326 E N 1.220 121.345 120.200 -0.125 0.000 2.110 326 E HA -0.245 4.108 4.350 0.004 0.000 0.193 326 E C 2.007 178.553 176.600 -0.089 0.000 0.988 326 E CA 1.094 57.421 56.400 -0.121 0.000 0.804 326 E CB -0.187 29.435 29.700 -0.130 0.000 0.745 326 E HN 0.317 nan 8.360 nan 0.000 0.458 327 L N 0.827 121.996 121.223 -0.089 0.000 2.093 327 L HA -0.047 4.296 4.340 0.004 0.000 0.208 327 L C 1.166 177.987 176.870 -0.081 0.000 1.085 327 L CA 1.755 56.545 54.840 -0.084 0.000 0.755 327 L CB -0.358 41.644 42.059 -0.096 0.000 0.904 327 L HN 0.129 nan 8.230 nan 0.000 0.435 328 N N -0.035 118.619 118.700 -0.076 0.000 2.322 328 N HA 0.204 4.947 4.740 0.004 0.000 0.194 328 N C 0.274 175.767 175.510 -0.028 0.000 1.126 328 N CA 0.606 53.624 53.050 -0.053 0.000 0.845 328 N CB 0.289 38.763 38.487 -0.022 0.000 0.976 328 N HN 0.402 nan 8.380 nan 0.000 0.475 329 A N 0.278 123.072 122.820 -0.044 0.000 2.256 329 A HA 0.532 4.855 4.320 0.004 0.000 0.318 329 A C 0.123 177.683 177.584 -0.040 0.000 1.103 329 A CA -0.410 51.600 52.037 -0.046 0.000 0.860 329 A CB 1.016 19.973 19.000 -0.073 0.000 1.182 329 A HN -0.033 nan 8.150 nan 0.000 0.501 330 V N 1.927 121.818 119.914 -0.039 0.000 2.339 330 V HA 0.330 4.452 4.120 0.004 0.000 0.261 330 V C 0.416 176.486 176.094 -0.040 0.000 1.058 330 V CA 0.225 62.506 62.300 -0.031 0.000 0.897 330 V CB 0.329 32.134 31.823 -0.029 0.000 1.052 330 V HN 0.919 nan 8.190 nan 0.000 0.480 331 T N 0.482 115.022 114.554 -0.023 0.000 3.029 331 T HA 0.643 4.996 4.350 0.004 0.000 0.346 331 T C -0.719 174.000 174.700 0.031 0.000 1.211 331 T CA -0.585 61.509 62.100 -0.010 0.000 1.009 331 T CB 0.894 69.761 68.868 -0.001 0.000 1.084 331 T HN 0.578 nan 8.240 nan 0.000 0.536 332 D N 1.786 122.204 120.400 0.030 0.000 2.648 332 D HA 0.498 5.141 4.640 0.004 0.000 0.244 332 D C -1.690 174.644 176.300 0.055 0.000 1.244 332 D CA -0.426 53.611 54.000 0.062 0.000 0.772 332 D CB 2.215 43.027 40.800 0.020 0.000 1.379 332 D HN 0.524 nan 8.370 nan 0.000 0.428 333 N N 1.022 119.782 118.700 0.099 0.000 2.493 333 N HA 0.453 5.196 4.740 0.004 0.000 0.279 333 N C -2.944 172.588 175.510 0.037 0.000 1.082 333 N CA -1.047 52.030 53.050 0.046 0.000 0.963 333 N CB 2.845 41.497 38.487 0.275 0.000 1.627 333 N HN 0.044 nan 8.380 nan 0.000 0.499 334 P HA 0.313 nan 4.420 nan 0.000 0.279 334 P C -0.866 176.090 177.300 -0.574 0.000 1.282 334 P CA -0.437 62.376 63.100 -0.478 0.000 0.788 334 P CB 0.907 32.091 31.700 -0.860 0.000 1.139 335 V N -3.807 115.709 119.914 -0.663 0.000 3.001 335 V HA 0.643 4.766 4.120 0.004 0.000 0.314 335 V C -1.011 174.624 176.094 -0.765 0.000 1.099 335 V CA -0.930 61.002 62.300 -0.613 0.000 0.989 335 V CB 1.586 33.250 31.823 -0.265 0.000 1.040 335 V HN 0.213 nan 8.190 nan 0.000 0.434 336 F N 1.870 121.807 119.950 -0.022 0.000 2.366 336 F HA 0.623 5.152 4.527 0.005 0.000 0.366 336 F C -2.455 173.341 175.800 -0.006 0.000 1.096 336 F CA -2.615 55.379 58.000 -0.011 0.000 1.060 336 F CB 1.362 40.362 39.000 0.000 0.000 1.282 336 F HN 0.291 nan 8.300 nan 0.000 0.450 337 P HA 0.032 nan 4.420 nan 0.000 0.260 337 P C -1.989 175.358 177.300 0.077 0.000 1.185 337 P CA -0.678 62.460 63.100 0.063 0.000 0.763 337 P CB 0.497 32.221 31.700 0.041 0.000 0.776 338 P HA -0.204 nan 4.420 nan 0.000 0.218 338 P C 0.897 178.220 177.300 0.038 0.000 1.148 338 P CA 1.416 64.546 63.100 0.050 0.000 0.822 338 P CB -0.119 31.603 31.700 0.037 0.000 0.784 339 D N -1.519 118.900 120.400 0.032 0.000 2.264 339 D HA -0.025 4.618 4.640 0.004 0.000 0.208 339 D C 1.439 177.757 176.300 0.029 0.000 0.966 339 D CA 1.201 55.216 54.000 0.025 0.000 0.864 339 D CB -1.255 39.557 40.800 0.019 0.000 0.933 339 D HN 0.214 nan 8.370 nan 0.000 0.499 340 G N -0.209 108.614 108.800 0.039 0.000 2.136 340 G HA2 -0.346 3.617 3.960 0.004 0.000 0.242 340 G HA3 -0.346 3.617 3.960 0.004 0.000 0.242 340 G C 1.162 176.085 174.900 0.038 0.000 0.989 340 G CA 1.033 46.158 45.100 0.042 0.000 0.682 340 G HN 0.659 nan 8.290 nan 0.000 0.522 341 S N -1.479 114.241 115.700 0.034 0.000 2.370 341 S HA 0.217 4.689 4.470 0.004 0.000 0.226 341 S C 1.228 175.849 174.600 0.035 0.000 1.033 341 S CA 1.946 60.164 58.200 0.029 0.000 1.011 341 S CB -0.341 62.872 63.200 0.022 0.000 0.852 341 S HN 2.035 nan 8.310 nan 0.000 0.457 342 V N -3.401 116.541 119.914 0.046 0.000 3.078 342 V HA 0.578 4.701 4.120 0.004 0.000 0.311 342 V C -2.537 173.609 176.094 0.086 0.000 1.138 342 V CA -2.158 60.177 62.300 0.057 0.000 1.007 342 V CB 1.209 33.062 31.823 0.051 0.000 1.045 342 V HN -0.120 nan 8.190 nan 0.000 0.432 343 P HA 0.250 nan 4.420 nan 0.000 0.218 343 P C 0.276 177.727 177.300 0.252 0.000 1.149 343 P CA 2.018 65.207 63.100 0.148 0.000 0.817 343 P CB 0.185 31.962 31.700 0.129 0.000 0.785 344 A N -2.009 120.912 122.820 0.169 0.000 2.567 344 A HA 0.630 4.953 4.320 0.004 0.000 0.291 344 A C -2.046 175.529 177.584 -0.016 0.000 1.048 344 A CA -0.538 51.536 52.037 0.062 0.000 0.661 344 A CB 0.364 19.401 19.000 0.061 0.000 1.288 344 A HN -0.059 nan 8.150 nan 0.000 0.424 345 L N 1.100 122.220 121.223 -0.173 0.000 2.386 345 L HA 0.559 4.902 4.340 0.004 0.000 0.271 345 L C -1.229 175.494 176.870 -0.245 0.000 0.993 345 L CA -0.659 54.119 54.840 -0.104 0.000 0.819 345 L CB 2.313 44.317 42.059 -0.090 0.000 1.294 345 L HN 0.859 nan 8.230 nan 0.000 0.414 346 H N 1.429 120.445 119.070 -0.090 0.000 2.511 346 H HA 0.736 5.294 4.556 0.004 0.000 0.328 346 H C 0.214 175.493 175.328 -0.082 0.000 1.044 346 H CA -0.100 55.897 56.048 -0.086 0.000 1.212 346 H CB 1.903 31.615 29.762 -0.084 0.000 1.428 346 H HN 0.748 nan 8.280 nan 0.000 0.483 347 G N 0.726 109.515 108.800 -0.019 0.000 2.871 347 G HA2 0.444 4.407 3.960 0.004 0.000 0.282 347 G HA3 0.444 4.407 3.960 0.004 0.000 0.282 347 G C -0.151 174.640 174.900 -0.183 0.000 1.212 347 G CA -0.334 44.719 45.100 -0.078 0.000 0.812 347 G HN 0.641 nan 8.290 nan 0.000 0.547 348 G N -0.047 108.518 108.800 -0.391 0.000 4.432 348 G HA2 0.278 4.241 3.960 0.004 0.000 0.294 348 G HA3 0.278 4.241 3.960 0.004 0.000 0.294 348 G C 0.270 174.562 174.900 -1.012 0.000 1.141 348 G CA -0.159 44.350 45.100 -0.984 0.000 0.895 348 G HN 0.267 nan 8.290 nan 0.000 0.548 349 N N 0.889 119.217 118.700 -0.619 0.000 2.609 349 N HA -0.036 4.707 4.740 0.004 0.000 0.190 349 N C 1.361 176.699 175.510 -0.287 0.000 1.157 349 N CA 0.280 53.117 53.050 -0.356 0.000 0.918 349 N CB -0.164 38.209 38.487 -0.189 0.000 0.978 349 N HN 0.631 nan 8.380 nan 0.000 0.448 350 F N -1.671 118.261 119.950 -0.029 0.000 2.776 350 F HA 0.375 4.905 4.527 0.004 0.000 0.300 350 F C 0.738 176.535 175.800 -0.006 0.000 1.116 350 F CA -0.887 57.101 58.000 -0.020 0.000 1.375 350 F CB -0.661 38.328 39.000 -0.019 0.000 1.109 350 F HN -0.164 nan 8.300 nan 0.000 0.585 351 M N 2.686 122.197 119.600 -0.148 0.000 2.350 351 M HA 0.387 4.870 4.480 0.004 0.000 0.338 351 M C 0.927 177.255 176.300 0.046 0.000 1.559 351 M CA -0.421 54.898 55.300 0.031 0.000 1.217 351 M CB 0.324 32.871 32.600 -0.087 0.000 1.808 351 M HN 0.240 nan 8.290 nan 0.000 0.458 352 G N 3.446 112.298 108.800 0.087 0.000 3.530 352 G HA2 0.050 4.012 3.960 0.004 0.000 0.269 352 G HA3 0.050 4.012 3.960 0.004 0.000 0.269 352 G C 0.663 175.599 174.900 0.059 0.000 1.314 352 G CA -0.211 44.929 45.100 0.067 0.000 1.441 352 G HN 0.812 nan 8.290 nan 0.000 0.595 353 Q N 0.002 119.834 119.800 0.055 0.000 2.167 353 Q HA -0.098 4.245 4.340 0.004 0.000 0.202 353 Q C 1.912 177.889 176.000 -0.039 0.000 0.970 353 Q CA 1.478 57.283 55.803 0.003 0.000 0.855 353 Q CB -0.123 28.595 28.738 -0.032 0.000 0.911 353 Q HN 0.719 nan 8.270 nan 0.000 0.438 354 H N -1.765 117.282 119.070 -0.038 0.000 2.326 354 H HA -0.056 4.503 4.556 0.005 0.000 0.301 354 H C 1.776 177.028 175.328 -0.128 0.000 1.081 354 H CA 1.775 57.777 56.048 -0.077 0.000 1.334 354 H CB 0.025 29.728 29.762 -0.099 0.000 1.385 354 H HN 0.071 nan 8.280 nan 0.000 0.504 355 V N 0.460 120.384 119.914 0.016 0.000 2.667 355 V HA -0.186 3.936 4.120 0.004 0.000 0.252 355 V C 2.440 178.527 176.094 -0.013 0.000 1.065 355 V CA 1.311 63.582 62.300 -0.049 0.000 1.083 355 V CB -0.827 30.975 31.823 -0.034 0.000 0.692 355 V HN 0.557 nan 8.190 nan 0.000 0.468 356 A N 0.014 122.839 122.820 0.009 0.000 1.873 356 A HA -0.125 4.197 4.320 0.004 0.000 0.215 356 A C 2.191 179.793 177.584 0.030 0.000 1.186 356 A CA 1.640 53.692 52.037 0.026 0.000 0.616 356 A CB -0.451 18.565 19.000 0.027 0.000 0.823 356 A HN 0.482 nan 8.150 nan 0.000 0.442 357 L N -0.112 121.119 121.223 0.014 0.000 2.109 357 L HA -0.133 4.209 4.340 0.004 0.000 0.207 357 L C 2.972 179.900 176.870 0.095 0.000 1.086 357 L CA 1.766 56.645 54.840 0.065 0.000 0.760 357 L CB -0.867 41.242 42.059 0.083 0.000 0.910 357 L HN 0.658 nan 8.230 nan 0.000 0.437 358 T N -4.643 109.872 114.554 -0.065 0.000 2.904 358 T HA -0.083 4.269 4.350 0.004 0.000 0.267 358 T C 2.018 176.801 174.700 0.139 0.000 1.059 358 T CA 1.208 63.223 62.100 -0.142 0.000 1.137 358 T CB -0.186 68.373 68.868 -0.515 0.000 0.879 358 T HN 0.114 nan 8.240 nan 0.000 0.467 359 S N 1.622 117.398 115.700 0.126 0.000 2.368 359 S HA -0.091 4.382 4.470 0.004 0.000 0.224 359 S C 1.851 176.511 174.600 0.099 0.000 1.029 359 S CA 1.167 59.455 58.200 0.146 0.000 0.988 359 S CB -0.518 62.748 63.200 0.110 0.000 0.838 359 S HN 0.515 nan 8.310 nan 0.000 0.462 360 D N 1.619 122.075 120.400 0.093 0.000 2.144 360 D HA 0.003 4.646 4.640 0.004 0.000 0.199 360 D C 2.110 178.464 176.300 0.091 0.000 0.984 360 D CA 1.167 55.215 54.000 0.079 0.000 0.834 360 D CB -0.379 40.463 40.800 0.071 0.000 0.955 360 D HN 0.373 nan 8.370 nan 0.000 0.465 361 A N 0.699 123.610 122.820 0.151 0.000 1.898 361 A HA -0.128 4.195 4.320 0.004 0.000 0.216 361 A C 2.149 179.806 177.584 0.121 0.000 1.181 361 A CA 0.915 53.061 52.037 0.182 0.000 0.620 361 A CB -0.669 18.572 19.000 0.400 0.000 0.819 361 A HN 0.248 nan 8.150 nan 0.000 0.442 362 L N -0.262 121.026 121.223 0.107 0.000 2.141 362 L HA -0.010 4.333 4.340 0.004 0.000 0.209 362 L C 2.601 179.457 176.870 -0.024 0.000 1.094 362 L CA 1.970 56.817 54.840 0.011 0.000 0.763 362 L CB -0.737 41.244 42.059 -0.129 0.000 0.908 362 L HN 0.339 nan 8.230 nan 0.000 0.437 363 A N -1.465 121.355 122.820 0.001 0.000 1.902 363 A HA -0.205 4.117 4.320 0.004 0.000 0.217 363 A C 2.264 179.823 177.584 -0.041 0.000 1.181 363 A CA 2.318 54.348 52.037 -0.012 0.000 0.623 363 A CB -1.194 17.816 19.000 0.017 0.000 0.818 363 A HN 0.496 nan 8.150 nan 0.000 0.443 364 T N 0.271 114.811 114.554 -0.024 0.000 2.746 364 T HA -0.006 4.346 4.350 0.004 0.000 0.267 364 T C 2.227 176.872 174.700 -0.092 0.000 1.039 364 T CA 1.569 63.642 62.100 -0.044 0.000 1.142 364 T CB -0.458 68.399 68.868 -0.018 0.000 0.866 364 T HN 0.599 nan 8.240 nan 0.000 0.444 365 A N 0.956 123.723 122.820 -0.088 0.000 1.933 365 A HA -0.047 4.275 4.320 0.004 0.000 0.218 365 A C 2.575 179.993 177.584 -0.277 0.000 1.175 365 A CA 1.289 53.243 52.037 -0.139 0.000 0.628 365 A CB -0.991 17.962 19.000 -0.078 0.000 0.814 365 A HN 0.359 nan 8.150 nan 0.000 0.444 366 V N -0.301 119.435 119.914 -0.297 0.000 2.343 366 V HA -0.217 3.906 4.120 0.004 0.000 0.247 366 V C 2.727 178.490 176.094 -0.551 0.000 1.051 366 V CA 2.440 64.413 62.300 -0.546 0.000 1.036 366 V CB -1.201 30.462 31.823 -0.268 0.000 0.654 366 V HN 0.609 nan 8.190 nan 0.000 0.451 367 T N -0.142 114.239 114.554 -0.289 0.000 2.788 367 T HA -0.148 4.205 4.350 0.004 0.000 0.268 367 T C 1.943 176.509 174.700 -0.224 0.000 1.044 367 T CA 1.535 63.509 62.100 -0.210 0.000 1.139 367 T CB -0.173 68.629 68.868 -0.110 0.000 0.867 367 T HN 0.283 nan 8.240 nan 0.000 0.454 368 V N 1.139 120.918 119.914 -0.224 0.000 2.358 368 V HA -0.090 4.033 4.120 0.004 0.000 0.246 368 V C 2.381 178.336 176.094 -0.232 0.000 1.047 368 V CA 1.289 63.478 62.300 -0.185 0.000 1.035 368 V CB -0.537 31.192 31.823 -0.156 0.000 0.658 368 V HN 0.316 nan 8.190 nan 0.000 0.452 369 L N 0.299 121.289 121.223 -0.388 0.000 2.141 369 L HA -0.017 4.326 4.340 0.004 0.000 0.209 369 L C 2.544 179.203 176.870 -0.352 0.000 1.094 369 L CA 2.026 56.628 54.840 -0.396 0.000 0.763 369 L CB -1.168 40.529 42.059 -0.604 0.000 0.908 369 L HN 0.281 nan 8.230 nan 0.000 0.437 370 A N -0.582 121.895 122.820 -0.572 0.000 1.969 370 A HA -0.061 4.261 4.320 0.004 0.000 0.218 370 A C 2.411 179.973 177.584 -0.037 0.000 1.169 370 A CA 1.478 53.377 52.037 -0.230 0.000 0.635 370 A CB -1.202 17.680 19.000 -0.195 0.000 0.810 370 A HN 0.421 nan 8.150 nan 0.000 0.445 371 G N -0.182 108.567 108.800 -0.085 0.000 2.422 371 G HA2 -0.107 3.855 3.960 0.004 0.000 0.218 371 G HA3 -0.107 3.855 3.960 0.004 0.000 0.218 371 G C 1.466 176.369 174.900 0.004 0.000 1.140 371 G CA 1.152 46.234 45.100 -0.029 0.000 0.775 371 G HN 0.502 nan 8.290 nan 0.000 0.545 372 L N 1.335 122.556 121.223 -0.002 0.000 2.027 372 L HA 0.195 4.538 4.340 0.004 0.000 0.206 372 L C 3.005 179.920 176.870 0.076 0.000 1.074 372 L CA 2.256 57.117 54.840 0.035 0.000 0.745 372 L CB -0.725 41.348 42.059 0.023 0.000 0.898 372 L HN 0.198 nan 8.230 nan 0.000 0.433 373 A N -0.908 121.983 122.820 0.118 0.000 1.933 373 A HA -0.216 4.107 4.320 0.004 0.000 0.218 373 A C 2.317 179.959 177.584 0.098 0.000 1.175 373 A CA 1.662 53.783 52.037 0.141 0.000 0.628 373 A CB -0.740 18.398 19.000 0.231 0.000 0.814 373 A HN 0.591 nan 8.150 nan 0.000 0.444 374 E N 0.040 120.291 120.200 0.085 0.000 2.077 374 E HA -0.190 4.163 4.350 0.004 0.000 0.193 374 E C 2.052 178.684 176.600 0.054 0.000 0.989 374 E CA 0.859 57.298 56.400 0.066 0.000 0.800 374 E CB -0.204 29.529 29.700 0.055 0.000 0.746 374 E HN 0.378 nan 8.360 nan 0.000 0.452 375 R N 0.342 120.872 120.500 0.050 0.000 2.115 375 R HA -0.031 4.312 4.340 0.004 0.000 0.226 375 R C 2.365 178.692 176.300 0.046 0.000 1.100 375 R CA 0.782 56.908 56.100 0.044 0.000 0.980 375 R CB -0.381 29.944 30.300 0.042 0.000 0.875 375 R HN 0.396 nan 8.270 nan 0.000 0.445 376 Q N 0.037 119.870 119.800 0.056 0.000 2.119 376 Q HA -0.035 4.308 4.340 0.004 0.000 0.201 376 Q C 2.177 178.197 176.000 0.034 0.000 0.972 376 Q CA 1.102 56.937 55.803 0.054 0.000 0.847 376 Q CB -0.068 28.713 28.738 0.072 0.000 0.903 376 Q HN 0.305 nan 8.270 nan 0.000 0.433 377 I N 0.574 121.165 120.570 0.034 0.000 2.252 377 I HA -0.253 3.920 4.170 0.004 0.000 0.245 377 I C 2.420 178.554 176.117 0.029 0.000 1.102 377 I CA 0.907 62.219 61.300 0.019 0.000 1.385 377 I CB -0.405 37.613 38.000 0.030 0.000 1.064 377 I HN 0.146 nan 8.210 nan 0.000 0.414 378 A N 0.773 123.618 122.820 0.042 0.000 1.940 378 A HA -0.253 4.070 4.320 0.004 0.000 0.219 378 A C 2.438 180.029 177.584 0.012 0.000 1.176 378 A CA 1.913 53.977 52.037 0.045 0.000 0.631 378 A CB -0.626 18.402 19.000 0.046 0.000 0.814 378 A HN 0.396 nan 8.150 nan 0.000 0.446 379 R N -0.966 119.537 120.500 0.006 0.000 2.062 379 R HA -0.023 4.320 4.340 0.004 0.000 0.226 379 R C 2.026 178.308 176.300 -0.031 0.000 1.125 379 R CA 1.350 57.443 56.100 -0.011 0.000 0.966 379 R CB -0.401 29.902 30.300 0.005 0.000 0.861 379 R HN 0.391 nan 8.270 nan 0.000 0.433 380 L N 1.236 122.445 121.223 -0.024 0.000 2.127 380 L HA -0.115 4.228 4.340 0.004 0.000 0.211 380 L C 1.958 178.785 176.870 -0.072 0.000 1.089 380 L CA 2.445 57.260 54.840 -0.041 0.000 0.757 380 L CB -0.485 41.551 42.059 -0.038 0.000 0.899 380 L HN 0.445 nan 8.230 nan 0.000 0.434 381 T N -4.362 110.144 114.554 -0.081 0.000 3.107 381 T HA 0.040 4.392 4.350 0.004 0.000 0.249 381 T C 0.710 175.164 174.700 -0.411 0.000 1.096 381 T CA -0.142 61.861 62.100 -0.162 0.000 1.012 381 T CB -0.456 68.416 68.868 0.007 0.000 0.977 381 T HN 0.242 nan 8.240 nan 0.000 0.527 382 D N 2.718 122.963 120.400 -0.259 0.000 2.380 382 D HA 0.077 4.719 4.640 0.004 0.000 0.230 382 D C 1.335 177.512 176.300 -0.204 0.000 1.154 382 D CA -0.303 53.536 54.000 -0.268 0.000 0.859 382 D CB 1.211 41.936 40.800 -0.124 0.000 1.045 382 D HN 0.619 nan 8.370 nan 0.000 0.495 383 E N 3.146 123.204 120.200 -0.238 0.000 2.333 383 E HA -0.218 4.135 4.350 0.004 0.000 0.200 383 E C 0.988 177.543 176.600 -0.076 0.000 1.010 383 E CA 0.868 57.191 56.400 -0.129 0.000 0.841 383 E CB 0.068 29.711 29.700 -0.095 0.000 0.757 383 E HN 0.370 nan 8.360 nan 0.000 0.508 384 R N -0.075 120.381 120.500 -0.073 0.000 2.276 384 R HA 0.202 4.544 4.340 0.004 0.000 0.196 384 R C 1.658 177.932 176.300 -0.042 0.000 0.961 384 R CA 0.415 56.488 56.100 -0.045 0.000 1.024 384 R CB 0.245 30.525 30.300 -0.034 0.000 0.940 384 R HN 0.273 nan 8.270 nan 0.000 0.480 385 L N -0.024 121.167 121.223 -0.053 0.000 2.840 385 L HA 0.110 4.453 4.340 0.004 0.000 0.249 385 L C 0.575 177.421 176.870 -0.041 0.000 1.119 385 L CA -0.085 54.730 54.840 -0.042 0.000 0.930 385 L CB 0.241 42.276 42.059 -0.040 0.000 1.295 385 L HN 0.112 nan 8.230 nan 0.000 0.534 386 N N 0.998 119.666 118.700 -0.052 0.000 2.362 386 N HA -0.047 4.696 4.740 0.004 0.000 0.204 386 N C -0.000 175.490 175.510 -0.034 0.000 1.166 386 N CA -0.289 52.734 53.050 -0.045 0.000 0.831 386 N CB -0.239 38.211 38.487 -0.061 0.000 1.008 386 N HN 0.087 nan 8.380 nan 0.000 0.472 387 R N -0.514 119.968 120.500 -0.030 0.000 3.188 387 R HA -0.176 4.167 4.340 0.004 0.000 0.247 387 R C 0.813 177.100 176.300 -0.021 0.000 0.918 387 R CA 0.476 56.561 56.100 -0.024 0.000 0.629 387 R CB -2.218 28.069 30.300 -0.021 0.000 1.087 387 R HN 0.607 nan 8.270 nan 0.000 0.462 388 G N -1.034 107.753 108.800 -0.022 0.000 2.213 388 G HA2 -0.291 3.671 3.960 0.004 0.000 0.226 388 G HA3 -0.291 3.671 3.960 0.004 0.000 0.226 388 G C 0.270 175.159 174.900 -0.018 0.000 0.992 388 G CA 0.001 45.090 45.100 -0.017 0.000 0.632 388 G HN 0.254 nan 8.290 nan 0.000 0.511 389 L N 1.704 122.912 121.223 -0.025 0.000 2.453 389 L HA 0.420 4.763 4.340 0.004 0.000 0.261 389 L C -1.610 175.244 176.870 -0.027 0.000 1.179 389 L CA -1.956 52.867 54.840 -0.028 0.000 0.813 389 L CB 0.576 42.617 42.059 -0.031 0.000 1.110 389 L HN -0.071 nan 8.230 nan 0.000 0.466 390 P HA 0.061 nan 4.420 nan 0.000 0.269 390 P C -2.492 174.841 177.300 0.054 0.000 1.215 390 P CA -0.966 62.136 63.100 0.003 0.000 0.780 390 P CB -0.146 31.445 31.700 -0.181 0.000 0.898 391 P HA 0.015 nan 4.420 nan 0.000 0.267 391 P C -0.294 177.081 177.300 0.125 0.000 1.209 391 P CA 0.291 63.361 63.100 -0.051 0.000 0.763 391 P CB -0.153 31.571 31.700 0.040 0.000 0.816 392 F N 1.664 121.713 119.950 0.166 0.000 3.034 392 F HA -0.241 4.289 4.527 0.004 0.000 0.286 392 F C 1.257 177.234 175.800 0.294 0.000 0.804 392 F CA 0.328 58.451 58.000 0.205 0.000 1.161 392 F CB -2.633 36.479 39.000 0.186 0.000 1.317 392 F HN 0.265 nan 8.300 nan 0.000 0.453 393 L N -1.598 119.784 121.223 0.265 0.000 3.781 393 L HA -0.317 4.026 4.340 0.004 0.000 0.426 393 L C 1.347 178.370 176.870 0.254 0.000 1.197 393 L CA 1.044 56.017 54.840 0.221 0.000 0.907 393 L CB -1.997 40.197 42.059 0.225 0.000 1.812 393 L HN 0.686 nan 8.230 nan 0.000 0.956 394 H N 0.447 119.644 119.070 0.211 0.000 2.603 394 H HA 0.675 5.234 4.556 0.004 0.000 0.370 394 H C 0.292 175.679 175.328 0.098 0.000 1.225 394 H CA -0.474 55.657 56.048 0.140 0.000 1.410 394 H CB 0.870 30.703 29.762 0.119 0.000 1.495 394 H HN 0.305 nan 8.280 nan 0.000 0.602 395 R N -0.245 120.253 120.500 -0.002 0.000 2.888 395 R HA 0.485 4.828 4.340 0.004 0.000 0.266 395 R C -0.240 176.148 176.300 0.147 0.000 1.020 395 R CA -0.262 55.814 56.100 -0.039 0.000 0.963 395 R CB 2.092 32.395 30.300 0.005 0.000 1.197 395 R HN 1.098 nan 8.270 nan 0.000 0.481 396 G N 1.306 110.169 108.800 0.106 0.000 2.725 396 G HA2 -0.185 3.777 3.960 0.004 0.000 0.220 396 G HA3 -0.185 3.777 3.960 0.004 0.000 0.220 396 G C -2.749 172.273 174.900 0.202 0.000 1.357 396 G CA -1.187 43.991 45.100 0.130 0.000 0.866 396 G HN 0.398 nan 8.290 nan 0.000 0.548 397 P HA 0.509 nan 4.420 nan 0.000 0.271 397 P C 0.239 177.562 177.300 0.039 0.000 1.220 397 P CA 0.678 63.839 63.100 0.101 0.000 0.768 397 P CB 1.020 32.748 31.700 0.046 0.000 0.848 398 A N 3.154 125.977 122.820 0.005 0.000 2.477 398 A HA 0.508 4.831 4.320 0.004 0.000 0.246 398 A C 1.479 178.962 177.584 -0.169 0.000 1.078 398 A CA 0.865 52.714 52.037 -0.313 0.000 0.770 398 A CB -0.904 18.006 19.000 -0.150 0.000 1.011 398 A HN 0.802 nan 8.150 nan 0.000 0.494 399 G N 0.696 109.376 108.800 -0.199 0.000 2.956 399 G HA2 -0.271 3.691 3.960 0.004 0.000 0.210 399 G HA3 -0.271 3.691 3.960 0.004 0.000 0.210 399 G C 1.062 175.912 174.900 -0.084 0.000 1.316 399 G CA 0.358 45.400 45.100 -0.098 0.000 0.819 399 G HN 0.786 nan 8.290 nan 0.000 0.544 400 L N 1.065 122.248 121.223 -0.068 0.000 2.141 400 L HA 0.163 4.505 4.340 0.004 0.000 0.209 400 L C 0.793 177.633 176.870 -0.050 0.000 1.094 400 L CA 0.919 55.733 54.840 -0.043 0.000 0.763 400 L CB -0.278 41.769 42.059 -0.020 0.000 0.908 400 L HN 0.286 nan 8.230 nan 0.000 0.437 401 N N -1.178 117.477 118.700 -0.076 0.000 2.321 401 N HA 0.209 4.952 4.740 0.004 0.000 0.299 401 N C -0.025 175.413 175.510 -0.119 0.000 1.048 401 N CA -0.090 52.928 53.050 -0.053 0.000 0.836 401 N CB 2.087 40.606 38.487 0.054 0.000 1.269 401 N HN -0.194 nan 8.380 nan 0.000 0.486 402 S N 0.040 115.709 115.700 -0.052 0.000 2.603 402 S HA 0.258 4.731 4.470 0.004 0.000 0.232 402 S C 1.255 175.899 174.600 0.073 0.000 1.016 402 S CA 0.010 58.186 58.200 -0.039 0.000 0.976 402 S CB 0.534 63.660 63.200 -0.123 0.000 0.921 402 S HN 0.917 nan 8.310 nan 0.000 0.516 403 G N 2.517 111.365 108.800 0.080 0.000 2.634 403 G HA2 -0.350 3.613 3.960 0.004 0.000 0.318 403 G HA3 -0.350 3.613 3.960 0.004 0.000 0.318 403 G C 0.258 175.094 174.900 -0.106 0.000 1.207 403 G CA 0.844 45.969 45.100 0.042 0.000 0.987 403 G HN 0.467 nan 8.290 nan 0.000 0.547 404 F N 1.452 121.496 119.950 0.157 0.000 2.664 404 F HA 0.452 4.981 4.527 0.004 0.000 0.301 404 F C 2.408 178.255 175.800 0.077 0.000 1.126 404 F CA 0.934 59.002 58.000 0.114 0.000 1.373 404 F CB 0.154 39.236 39.000 0.136 0.000 1.042 404 F HN 0.347 nan 8.300 nan 0.000 0.535 405 M N 0.018 119.640 119.600 0.037 0.000 2.149 405 M HA -0.125 4.358 4.480 0.004 0.000 0.261 405 M C 2.317 178.505 176.300 -0.187 0.000 1.064 405 M CA 2.236 57.297 55.300 -0.399 0.000 1.102 405 M CB -0.426 31.637 32.600 -0.894 0.000 1.369 405 M HN 0.301 nan 8.290 nan 0.000 0.408 406 G N -0.716 108.025 108.800 -0.098 0.000 2.394 406 G HA2 -0.076 3.887 3.960 0.004 0.000 0.215 406 G HA3 -0.076 3.887 3.960 0.004 0.000 0.215 406 G C 1.484 176.392 174.900 0.014 0.000 1.165 406 G CA 0.705 45.772 45.100 -0.054 0.000 0.784 406 G HN 0.615 nan 8.290 nan 0.000 0.535 407 A N -0.040 122.825 122.820 0.075 0.000 1.972 407 A HA -0.070 4.253 4.320 0.004 0.000 0.219 407 A C 2.257 179.915 177.584 0.123 0.000 1.169 407 A CA 1.955 54.067 52.037 0.125 0.000 0.635 407 A CB -0.390 18.758 19.000 0.247 0.000 0.810 407 A HN 0.379 nan 8.150 nan 0.000 0.446 408 Q N 0.088 119.978 119.800 0.150 0.000 2.084 408 Q HA -0.122 4.220 4.340 0.004 0.000 0.202 408 Q C 2.071 178.128 176.000 0.096 0.000 0.978 408 Q CA 2.009 57.900 55.803 0.147 0.000 0.844 408 Q CB -0.259 28.627 28.738 0.245 0.000 0.898 408 Q HN 0.432 nan 8.270 nan 0.000 0.426 409 V N 0.486 120.437 119.914 0.062 0.000 2.427 409 V HA -0.198 3.925 4.120 0.004 0.000 0.248 409 V C 2.331 178.446 176.094 0.036 0.000 1.051 409 V CA 1.992 64.315 62.300 0.038 0.000 1.048 409 V CB -0.765 31.062 31.823 0.006 0.000 0.666 409 V HN 0.374 nan 8.190 nan 0.000 0.456 410 T N 0.391 114.967 114.554 0.037 0.000 2.788 410 T HA -0.151 4.201 4.350 0.004 0.000 0.268 410 T C 2.072 176.796 174.700 0.040 0.000 1.044 410 T CA 1.559 63.679 62.100 0.034 0.000 1.139 410 T CB -0.351 68.537 68.868 0.034 0.000 0.867 410 T HN 0.574 nan 8.240 nan 0.000 0.454 411 A N 1.285 124.135 122.820 0.051 0.000 1.902 411 A HA -0.136 4.187 4.320 0.004 0.000 0.217 411 A C 2.551 180.165 177.584 0.050 0.000 1.181 411 A CA 2.130 54.199 52.037 0.053 0.000 0.623 411 A CB -1.234 17.802 19.000 0.059 0.000 0.818 411 A HN 0.479 nan 8.150 nan 0.000 0.443 412 T N 0.352 114.935 114.554 0.048 0.000 2.746 412 T HA -0.017 4.336 4.350 0.004 0.000 0.267 412 T C 2.214 176.933 174.700 0.033 0.000 1.039 412 T CA 1.557 63.681 62.100 0.041 0.000 1.142 412 T CB -0.467 68.427 68.868 0.042 0.000 0.866 412 T HN 0.604 nan 8.240 nan 0.000 0.444 413 A N 1.335 124.173 122.820 0.031 0.000 1.902 413 A HA 0.002 4.325 4.320 0.004 0.000 0.217 413 A C 2.309 179.909 177.584 0.027 0.000 1.181 413 A CA 1.205 53.257 52.037 0.025 0.000 0.623 413 A CB -0.851 18.162 19.000 0.021 0.000 0.818 413 A HN 0.481 nan 8.150 nan 0.000 0.443 414 L N -1.182 120.061 121.223 0.033 0.000 2.046 414 L HA -0.158 4.185 4.340 0.004 0.000 0.208 414 L C 2.568 179.461 176.870 0.038 0.000 1.077 414 L CA 1.184 56.047 54.840 0.038 0.000 0.747 414 L CB -0.545 41.542 42.059 0.047 0.000 0.896 414 L HN 0.477 nan 8.230 nan 0.000 0.432 415 L N 0.249 121.495 121.223 0.038 0.000 2.056 415 L HA -0.098 4.245 4.340 0.004 0.000 0.207 415 L C 2.658 179.538 176.870 0.017 0.000 1.078 415 L CA 1.907 56.764 54.840 0.027 0.000 0.749 415 L CB -0.671 41.404 42.059 0.026 0.000 0.901 415 L HN 0.124 nan 8.230 nan 0.000 0.433 416 A N -0.732 122.099 122.820 0.019 0.000 1.908 416 A HA -0.300 4.023 4.320 0.004 0.000 0.218 416 A C 2.339 179.931 177.584 0.014 0.000 1.181 416 A CA 1.998 54.043 52.037 0.014 0.000 0.627 416 A CB -0.783 18.227 19.000 0.015 0.000 0.818 416 A HN 0.643 nan 8.150 nan 0.000 0.445 417 E N -0.714 119.496 120.200 0.017 0.000 2.072 417 E HA -0.178 4.174 4.350 0.004 0.000 0.191 417 E C 2.061 178.671 176.600 0.017 0.000 0.985 417 E CA 1.255 57.665 56.400 0.017 0.000 0.801 417 E CB -0.203 29.509 29.700 0.020 0.000 0.750 417 E HN 0.672 nan 8.360 nan 0.000 0.452 418 M N 0.043 119.654 119.600 0.018 0.000 2.108 418 M HA -0.192 4.290 4.480 0.004 0.000 0.261 418 M C 2.308 178.611 176.300 0.006 0.000 1.066 418 M CA 1.627 56.935 55.300 0.014 0.000 1.107 418 M CB -0.214 32.390 32.600 0.008 0.000 1.356 418 M HN 0.022 nan 8.290 nan 0.000 0.406 419 R N 0.023 120.525 120.500 0.002 0.000 2.237 419 R HA -0.009 4.333 4.340 0.004 0.000 0.219 419 R C 2.149 178.453 176.300 0.007 0.000 1.080 419 R CA 1.008 57.108 56.100 0.000 0.000 0.995 419 R CB -0.417 29.882 30.300 -0.002 0.000 0.875 419 R HN 0.369 nan 8.270 nan 0.000 0.462 420 A N 0.575 123.402 122.820 0.010 0.000 2.121 420 A HA -0.024 4.298 4.320 0.004 0.000 0.218 420 A C 0.727 178.321 177.584 0.016 0.000 1.154 420 A CA 0.880 52.925 52.037 0.012 0.000 0.679 420 A CB 0.118 19.125 19.000 0.011 0.000 0.795 420 A HN 0.092 nan 8.150 nan 0.000 0.458 421 T N -0.068 114.497 114.554 0.019 0.000 2.797 421 T HA 0.560 4.912 4.350 0.004 0.000 0.279 421 T C 0.421 175.142 174.700 0.035 0.000 0.991 421 T CA 0.046 62.162 62.100 0.027 0.000 0.979 421 T CB 1.568 70.451 68.868 0.025 0.000 0.943 421 T HN 0.359 nan 8.240 nan 0.000 0.444 422 G N 2.847 111.681 108.800 0.057 0.000 2.795 422 G HA2 0.679 4.642 3.960 0.004 0.000 0.267 422 G HA3 0.679 4.642 3.960 0.004 0.000 0.267 422 G C -2.652 172.296 174.900 0.081 0.000 1.362 422 G CA -1.610 43.528 45.100 0.063 0.000 1.048 422 G HN 0.443 nan 8.290 nan 0.000 0.547 423 P HA 0.255 nan 4.420 nan 0.000 0.266 423 P C 0.352 177.716 177.300 0.107 0.000 1.195 423 P CA 0.356 63.492 63.100 0.060 0.000 0.768 423 P CB 1.320 33.031 31.700 0.018 0.000 0.838 424 A N 2.031 124.916 122.820 0.109 0.000 1.984 424 A HA -0.047 4.275 4.320 0.004 0.000 0.214 424 A C 2.049 179.707 177.584 0.123 0.000 1.173 424 A CA 1.056 53.198 52.037 0.176 0.000 0.673 424 A CB -1.040 18.030 19.000 0.118 0.000 0.830 424 A HN 0.480 nan 8.150 nan 0.000 0.453 425 S N 0.644 116.369 115.700 0.040 0.000 2.420 425 S HA -0.189 4.283 4.470 0.004 0.000 0.237 425 S C 1.686 176.247 174.600 -0.064 0.000 1.023 425 S CA 1.584 59.786 58.200 0.003 0.000 0.991 425 S CB -0.713 62.489 63.200 0.004 0.000 0.792 425 S HN 0.801 nan 8.310 nan 0.000 0.488 426 I N -1.308 119.146 120.570 -0.194 0.000 3.444 426 I HA 0.054 4.226 4.170 0.004 0.000 0.287 426 I C 0.710 176.600 176.117 -0.379 0.000 1.302 426 I CA 0.946 62.067 61.300 -0.299 0.000 1.368 426 I CB -0.355 37.421 38.000 -0.372 0.000 1.048 426 I HN 0.162 nan 8.210 nan 0.000 0.487 427 H N 1.299 120.381 119.070 0.019 0.000 2.550 427 H HA 0.313 4.872 4.556 0.005 0.000 0.304 427 H C 0.627 175.967 175.328 0.021 0.000 1.086 427 H CA -0.225 55.834 56.048 0.018 0.000 1.089 427 H CB 0.044 29.817 29.762 0.018 0.000 1.528 427 H HN 0.295 nan 8.280 nan 0.000 0.539 428 S N 1.209 116.953 115.700 0.072 0.000 2.552 428 S HA 0.203 4.676 4.470 0.004 0.000 0.289 428 S C 0.274 174.913 174.600 0.064 0.000 1.304 428 S CA -0.209 58.029 58.200 0.063 0.000 1.063 428 S CB 0.001 63.223 63.200 0.038 0.000 0.848 428 S HN 0.303 nan 8.310 nan 0.000 0.499 429 I N 3.363 123.969 120.570 0.061 0.000 2.534 429 I HA 0.208 4.380 4.170 0.004 0.000 0.288 429 I C 0.028 176.172 176.117 0.045 0.000 1.077 429 I CA -0.588 60.743 61.300 0.052 0.000 1.051 429 I CB 2.112 40.144 38.000 0.052 0.000 1.234 429 I HN 0.561 nan 8.210 nan 0.000 0.425 430 S N 3.944 119.668 115.700 0.039 0.000 2.525 430 S HA 0.237 4.710 4.470 0.004 0.000 0.285 430 S C -0.163 174.458 174.600 0.036 0.000 1.283 430 S CA 0.469 58.691 58.200 0.037 0.000 1.072 430 S CB 0.221 63.440 63.200 0.032 0.000 0.867 430 S HN 0.767 nan 8.310 nan 0.000 0.492 431 T N 3.112 117.690 114.554 0.039 0.000 2.654 431 T HA 0.419 4.772 4.350 0.004 0.000 0.289 431 T C -0.237 174.487 174.700 0.039 0.000 1.062 431 T CA -0.125 61.997 62.100 0.038 0.000 1.041 431 T CB 0.784 69.676 68.868 0.040 0.000 1.417 431 T HN 0.890 nan 8.240 nan 0.000 0.510 432 N N 0.490 119.214 118.700 0.039 0.000 2.738 432 N HA -0.221 4.522 4.740 0.004 0.000 0.249 432 N C 0.230 175.762 175.510 0.036 0.000 1.047 432 N CA 0.745 53.820 53.050 0.042 0.000 0.707 432 N CB -1.179 37.338 38.487 0.050 0.000 0.937 432 N HN 1.531 nan 8.380 nan 0.000 0.545 433 A N -0.906 121.931 122.820 0.029 0.000 2.791 433 A HA 0.020 4.342 4.320 0.004 0.000 0.292 433 A C 1.326 178.927 177.584 0.027 0.000 1.487 433 A CA 1.982 54.034 52.037 0.024 0.000 0.760 433 A CB -2.272 16.740 19.000 0.020 0.000 1.031 433 A HN 2.194 nan 8.150 nan 0.000 0.503 434 A N -2.196 120.642 122.820 0.029 0.000 3.413 434 A HA -0.369 3.954 4.320 0.004 0.000 0.268 434 A C 1.416 179.020 177.584 0.035 0.000 1.128 434 A CA 2.113 54.169 52.037 0.030 0.000 1.062 434 A CB -2.510 16.505 19.000 0.025 0.000 1.121 434 A HN 2.230 nan 8.150 nan 0.000 0.895 435 N N -0.118 118.606 118.700 0.039 0.000 2.188 435 N HA -0.087 4.656 4.740 0.004 0.000 0.184 435 N C 1.012 176.552 175.510 0.051 0.000 1.018 435 N CA 1.842 54.919 53.050 0.044 0.000 0.858 435 N CB -0.147 38.370 38.487 0.050 0.000 0.989 435 N HN 0.753 nan 8.380 nan 0.000 0.426 436 Q N 0.441 120.271 119.800 0.051 0.000 3.008 436 Q HA 0.067 4.409 4.340 0.004 0.000 0.307 436 Q C -0.378 175.655 176.000 0.055 0.000 1.273 436 Q CA -0.312 55.528 55.803 0.060 0.000 1.091 436 Q CB 0.570 29.340 28.738 0.053 0.000 1.393 436 Q HN 0.498 nan 8.270 nan 0.000 0.521 437 D N -0.575 119.855 120.400 0.050 0.000 2.310 437 D HA -0.090 4.553 4.640 0.004 0.000 0.212 437 D C 0.702 177.027 176.300 0.043 0.000 0.965 437 D CA 0.483 54.508 54.000 0.042 0.000 0.879 437 D CB 0.068 40.888 40.800 0.034 0.000 0.921 437 D HN 0.201 nan 8.370 nan 0.000 0.510 438 V N -1.660 118.284 119.914 0.051 0.000 2.686 438 V HA 0.754 4.877 4.120 0.004 0.000 0.306 438 V C -0.354 175.779 176.094 0.065 0.000 1.065 438 V CA -1.185 61.144 62.300 0.049 0.000 0.894 438 V CB 1.860 33.706 31.823 0.038 0.000 1.004 438 V HN 0.107 nan 8.190 nan 0.000 0.424 439 V N 1.154 121.104 119.914 0.061 0.000 3.040 439 V HA 0.794 4.917 4.120 0.004 0.000 0.312 439 V C 0.990 177.122 176.094 0.063 0.000 1.115 439 V CA 0.265 62.609 62.300 0.073 0.000 0.998 439 V CB 1.501 33.366 31.823 0.069 0.000 1.042 439 V HN 1.292 nan 8.190 nan 0.000 0.433 440 S N 1.951 117.692 115.700 0.069 0.000 2.458 440 S HA 0.139 4.612 4.470 0.004 0.000 0.223 440 S C 1.112 175.744 174.600 0.054 0.000 1.019 440 S CA 0.935 59.168 58.200 0.054 0.000 0.937 440 S CB -0.851 62.383 63.200 0.057 0.000 0.788 440 S HN 1.359 nan 8.310 nan 0.000 0.511 441 L N 0.490 121.750 121.223 0.061 0.000 4.001 441 L HA -0.211 4.132 4.340 0.004 0.000 0.413 441 L C 1.532 178.436 176.870 0.056 0.000 1.185 441 L CA 0.059 54.936 54.840 0.062 0.000 0.963 441 L CB -2.299 39.806 42.059 0.076 0.000 1.976 441 L HN 0.528 nan 8.230 nan 0.000 0.939 442 G N -0.373 108.458 108.800 0.052 0.000 2.432 442 G HA2 -0.203 3.760 3.960 0.004 0.000 0.219 442 G HA3 -0.203 3.760 3.960 0.004 0.000 0.219 442 G C 1.292 176.220 174.900 0.045 0.000 1.135 442 G CA 1.349 46.477 45.100 0.046 0.000 0.767 442 G HN 0.485 nan 8.290 nan 0.000 0.550 443 T N 1.250 115.829 114.554 0.043 0.000 2.777 443 T HA -0.009 4.344 4.350 0.004 0.000 0.266 443 T C 2.367 177.091 174.700 0.039 0.000 1.040 443 T CA 0.888 63.010 62.100 0.037 0.000 1.141 443 T CB -0.100 68.786 68.868 0.030 0.000 0.868 443 T HN 0.276 nan 8.240 nan 0.000 0.444 444 I N 1.578 122.174 120.570 0.043 0.000 2.252 444 I HA -0.128 4.045 4.170 0.004 0.000 0.245 444 I C 3.035 179.183 176.117 0.052 0.000 1.102 444 I CA 1.022 62.349 61.300 0.044 0.000 1.385 444 I CB -0.541 37.489 38.000 0.049 0.000 1.064 444 I HN 0.212 nan 8.210 nan 0.000 0.414 445 A N 0.884 123.739 122.820 0.058 0.000 1.883 445 A HA -0.204 4.119 4.320 0.004 0.000 0.217 445 A C 2.544 180.166 177.584 0.062 0.000 1.186 445 A CA 2.036 54.110 52.037 0.062 0.000 0.624 445 A CB -0.875 18.162 19.000 0.061 0.000 0.822 445 A HN 0.436 nan 8.150 nan 0.000 0.444 446 A N -0.422 122.435 122.820 0.063 0.000 1.902 446 A HA -0.144 4.179 4.320 0.004 0.000 0.217 446 A C 2.249 179.871 177.584 0.063 0.000 1.181 446 A CA 1.512 53.592 52.037 0.072 0.000 0.623 446 A CB -0.437 18.604 19.000 0.069 0.000 0.818 446 A HN 0.553 nan 8.150 nan 0.000 0.443 447 R N -0.546 119.986 120.500 0.052 0.000 2.075 447 R HA 0.007 4.350 4.340 0.004 0.000 0.232 447 R C 2.008 178.336 176.300 0.047 0.000 1.126 447 R CA 1.341 57.469 56.100 0.046 0.000 0.963 447 R CB -0.461 29.860 30.300 0.036 0.000 0.858 447 R HN 0.502 nan 8.270 nan 0.000 0.435 448 L N -0.267 120.984 121.223 0.047 0.000 2.093 448 L HA -0.216 4.127 4.340 0.004 0.000 0.208 448 L C 2.750 179.648 176.870 0.047 0.000 1.085 448 L CA 0.760 55.627 54.840 0.045 0.000 0.755 448 L CB -0.510 41.577 42.059 0.047 0.000 0.904 448 L HN 0.375 nan 8.230 nan 0.000 0.435 449 C N 0.320 119.650 119.300 0.051 0.000 2.440 449 C HA -0.154 4.308 4.460 0.004 0.000 0.278 449 C C 3.100 178.127 174.990 0.061 0.000 1.295 449 C CA 0.874 59.920 59.018 0.048 0.000 1.738 449 C CB -0.552 27.215 27.740 0.045 0.000 1.987 449 C HN 0.490 nan 8.230 nan 0.000 0.492 450 R N 1.298 121.837 120.500 0.066 0.000 2.081 450 R HA -0.076 4.266 4.340 0.004 0.000 0.235 450 R C 2.102 178.448 176.300 0.078 0.000 1.131 450 R CA 1.978 58.124 56.100 0.077 0.000 0.960 450 R CB -0.836 29.507 30.300 0.072 0.000 0.856 450 R HN 0.530 nan 8.270 nan 0.000 0.436 451 E N 0.774 121.012 120.200 0.064 0.000 2.077 451 E HA -0.179 4.174 4.350 0.004 0.000 0.193 451 E C 1.835 178.478 176.600 0.072 0.000 0.989 451 E CA 1.375 57.811 56.400 0.061 0.000 0.800 451 E CB -0.117 29.611 29.700 0.047 0.000 0.746 451 E HN 0.442 nan 8.360 nan 0.000 0.452 452 K N 0.267 120.710 120.400 0.071 0.000 2.097 452 K HA -0.015 4.308 4.320 0.004 0.000 0.205 452 K C 2.302 178.991 176.600 0.148 0.000 1.050 452 K CA 0.710 57.044 56.287 0.078 0.000 0.938 452 K CB -0.095 32.428 32.500 0.038 0.000 0.718 452 K HN 0.103 nan 8.250 nan 0.000 0.442 453 I N 1.465 122.135 120.570 0.167 0.000 2.315 453 I HA -0.266 3.906 4.170 0.004 0.000 0.248 453 I C 1.566 177.808 176.117 0.207 0.000 1.117 453 I CA 1.135 62.593 61.300 0.263 0.000 1.404 453 I CB -0.219 37.902 38.000 0.201 0.000 1.071 453 I HN 0.131 nan 8.210 nan 0.000 0.419 454 D N 0.600 121.079 120.400 0.131 0.000 2.144 454 D HA -0.123 4.520 4.640 0.004 0.000 0.200 454 D C 2.325 178.680 176.300 0.091 0.000 0.978 454 D CA 0.899 54.952 54.000 0.087 0.000 0.833 454 D CB -0.192 40.648 40.800 0.066 0.000 0.961 454 D HN 0.190 nan 8.370 nan 0.000 0.470 455 R N -0.105 120.465 120.500 0.117 0.000 2.092 455 R HA -0.107 4.235 4.340 0.004 0.000 0.231 455 R C 2.127 178.536 176.300 0.182 0.000 1.119 455 R CA 0.422 56.591 56.100 0.114 0.000 0.970 455 R CB -0.969 29.388 30.300 0.096 0.000 0.864 455 R HN 0.338 nan 8.270 nan 0.000 0.440 456 W N 1.930 123.230 121.300 0.000 0.000 2.363 456 W HA -0.076 4.587 4.660 0.004 0.000 0.296 456 W C 2.067 178.576 176.519 -0.017 0.000 1.212 456 W CA 1.333 58.678 57.345 0.000 0.000 1.260 456 W CB -0.555 28.913 29.460 0.012 0.000 1.131 456 W HN 0.127 nan 8.180 nan 0.000 0.530 457 A N 0.049 122.866 122.820 -0.006 0.000 1.933 457 A HA -0.201 4.122 4.320 0.004 0.000 0.218 457 A C 1.861 179.358 177.584 -0.146 0.000 1.175 457 A CA 1.879 53.797 52.037 -0.199 0.000 0.628 457 A CB -0.701 18.207 19.000 -0.154 0.000 0.814 457 A HN 0.438 nan 8.150 nan 0.000 0.444 458 E N -0.327 119.846 120.200 -0.045 0.000 2.106 458 E HA -0.086 4.267 4.350 0.004 0.000 0.192 458 E C 1.820 178.404 176.600 -0.026 0.000 0.984 458 E CA 1.076 57.453 56.400 -0.039 0.000 0.806 458 E CB -0.223 29.478 29.700 0.002 0.000 0.750 458 E HN 0.694 nan 8.360 nan 0.000 0.458 459 I N 0.807 121.397 120.570 0.034 0.000 2.252 459 I HA -0.267 3.906 4.170 0.004 0.000 0.245 459 I C 2.196 178.324 176.117 0.017 0.000 1.102 459 I CA 0.955 62.292 61.300 0.062 0.000 1.385 459 I CB -0.150 37.942 38.000 0.153 0.000 1.064 459 I HN 0.120 nan 8.210 nan 0.000 0.414 460 L N 0.453 121.655 121.223 -0.034 0.000 2.083 460 L HA -0.185 4.158 4.340 0.004 0.000 0.209 460 L C 2.830 179.593 176.870 -0.179 0.000 1.083 460 L CA 1.170 55.944 54.840 -0.109 0.000 0.752 460 L CB -0.665 41.235 42.059 -0.266 0.000 0.899 460 L HN 0.240 nan 8.230 nan 0.000 0.433 461 A N 0.354 123.042 122.820 -0.220 0.000 1.902 461 A HA -0.180 4.143 4.320 0.004 0.000 0.217 461 A C 2.203 179.674 177.584 -0.189 0.000 1.181 461 A CA 1.503 53.381 52.037 -0.266 0.000 0.623 461 A CB -0.606 18.247 19.000 -0.246 0.000 0.818 461 A HN 0.350 nan 8.150 nan 0.000 0.443 462 I N -0.849 119.657 120.570 -0.107 0.000 2.226 462 I HA -0.214 3.958 4.170 0.004 0.000 0.245 462 I C 2.414 178.470 176.117 -0.102 0.000 1.100 462 I CA 1.091 62.355 61.300 -0.061 0.000 1.374 462 I CB -0.255 37.744 38.000 -0.002 0.000 1.057 462 I HN 0.393 nan 8.210 nan 0.000 0.413 463 L N 1.286 122.463 121.223 -0.078 0.000 2.046 463 L HA -0.151 4.192 4.340 0.004 0.000 0.208 463 L C 2.562 179.377 176.870 -0.093 0.000 1.077 463 L CA 2.163 56.960 54.840 -0.070 0.000 0.747 463 L CB -0.885 41.172 42.059 -0.005 0.000 0.896 463 L HN 0.186 nan 8.230 nan 0.000 0.432 464 A N -0.487 122.279 122.820 -0.091 0.000 1.908 464 A HA -0.184 4.138 4.320 0.004 0.000 0.218 464 A C 2.281 179.805 177.584 -0.099 0.000 1.181 464 A CA 2.092 54.092 52.037 -0.063 0.000 0.627 464 A CB -0.934 17.996 19.000 -0.118 0.000 0.818 464 A HN 0.516 nan 8.150 nan 0.000 0.445 465 L N -1.022 120.107 121.223 -0.156 0.000 2.093 465 L HA -0.223 4.120 4.340 0.004 0.000 0.208 465 L C 2.722 179.424 176.870 -0.279 0.000 1.085 465 L CA 1.097 55.870 54.840 -0.111 0.000 0.755 465 L CB -0.657 41.403 42.059 0.002 0.000 0.904 465 L HN 0.493 nan 8.230 nan 0.000 0.435 466 C N -0.158 118.825 119.300 -0.529 0.000 2.432 466 C HA -0.143 4.319 4.460 0.004 0.000 0.277 466 C C 2.743 177.519 174.990 -0.356 0.000 1.249 466 C CA 0.535 59.072 59.018 -0.802 0.000 1.725 466 C CB -0.723 26.670 27.740 -0.578 0.000 2.028 466 C HN 0.428 nan 8.230 nan 0.000 0.477 467 L N 0.862 121.977 121.223 -0.180 0.000 2.093 467 L HA -0.126 4.217 4.340 0.004 0.000 0.208 467 L C 2.851 179.706 176.870 -0.025 0.000 1.085 467 L CA 1.415 56.214 54.840 -0.069 0.000 0.755 467 L CB -0.702 41.351 42.059 -0.010 0.000 0.904 467 L HN 0.340 nan 8.230 nan 0.000 0.435 468 A N -0.240 122.573 122.820 -0.011 0.000 1.902 468 A HA -0.298 4.025 4.320 0.004 0.000 0.217 468 A C 2.221 179.835 177.584 0.050 0.000 1.181 468 A CA 2.015 54.077 52.037 0.042 0.000 0.623 468 A CB -0.517 18.527 19.000 0.074 0.000 0.818 468 A HN 0.428 nan 8.150 nan 0.000 0.443 469 Q N -0.426 119.404 119.800 0.049 0.000 2.079 469 Q HA 0.011 4.353 4.340 0.004 0.000 0.200 469 Q C 2.071 178.100 176.000 0.049 0.000 0.974 469 Q CA 1.955 57.820 55.803 0.103 0.000 0.840 469 Q CB -0.487 28.402 28.738 0.252 0.000 0.898 469 Q HN 0.549 nan 8.270 nan 0.000 0.430 470 A N 0.530 123.347 122.820 -0.006 0.000 1.902 470 A HA -0.115 4.207 4.320 0.004 0.000 0.217 470 A C 2.324 179.912 177.584 0.007 0.000 1.181 470 A CA 1.860 53.891 52.037 -0.009 0.000 0.623 470 A CB -1.289 17.690 19.000 -0.036 0.000 0.818 470 A HN 0.556 nan 8.150 nan 0.000 0.443 471 A N -0.204 122.624 122.820 0.014 0.000 1.940 471 A HA -0.197 4.126 4.320 0.004 0.000 0.219 471 A C 1.917 179.516 177.584 0.025 0.000 1.176 471 A CA 1.742 53.793 52.037 0.023 0.000 0.631 471 A CB -0.518 18.501 19.000 0.032 0.000 0.814 471 A HN 0.667 nan 8.150 nan 0.000 0.446 472 E N -0.359 119.860 120.200 0.032 0.000 2.152 472 E HA -0.050 4.303 4.350 0.004 0.000 0.192 472 E C 1.913 178.527 176.600 0.022 0.000 0.983 472 E CA 0.805 57.224 56.400 0.032 0.000 0.818 472 E CB -0.217 29.509 29.700 0.044 0.000 0.758 472 E HN 0.620 nan 8.360 nan 0.000 0.467 473 L N 0.458 121.692 121.223 0.019 0.000 2.056 473 L HA -0.136 4.206 4.340 0.004 0.000 0.207 473 L C 2.639 179.510 176.870 0.001 0.000 1.078 473 L CA 0.889 55.732 54.840 0.005 0.000 0.749 473 L CB -0.166 41.891 42.059 -0.003 0.000 0.901 473 L HN 0.010 nan 8.230 nan 0.000 0.433 474 R N -0.082 120.420 120.500 0.004 0.000 2.073 474 R HA -0.065 4.278 4.340 0.004 0.000 0.229 474 R C 1.767 178.071 176.300 0.006 0.000 1.120 474 R CA 1.748 57.850 56.100 0.003 0.000 0.967 474 R CB -0.440 29.862 30.300 0.004 0.000 0.862 474 R HN 0.382 nan 8.270 nan 0.000 0.436 475 C N -0.052 119.255 119.300 0.011 0.000 3.104 475 C HA 0.663 5.126 4.460 0.004 0.000 0.284 475 C C 0.600 175.598 174.990 0.014 0.000 1.326 475 C CA -0.410 58.615 59.018 0.013 0.000 1.725 475 C CB -0.774 26.976 27.740 0.016 0.000 2.156 475 C HN 0.729 nan 8.230 nan 0.000 0.638 476 G N 1.780 110.589 108.800 0.014 0.000 2.758 476 G HA2 -0.144 3.819 3.960 0.004 0.000 0.686 476 G HA3 -0.144 3.819 3.960 0.004 0.000 0.686 476 G C 0.716 175.628 174.900 0.020 0.000 1.389 476 G CA 0.081 45.190 45.100 0.015 0.000 0.845 476 G HN 0.810 nan 8.290 nan 0.000 0.572 477 S N -0.580 115.132 115.700 0.020 0.000 2.419 477 S HA 0.025 4.498 4.470 0.004 0.000 0.235 477 S C 2.409 177.023 174.600 0.023 0.000 1.019 477 S CA 1.922 60.137 58.200 0.024 0.000 0.982 477 S CB -0.241 62.972 63.200 0.023 0.000 0.789 477 S HN 2.189 nan 8.310 nan 0.000 0.490 478 G N 0.813 109.625 108.800 0.020 0.000 2.744 478 G HA2 0.323 4.286 3.960 0.004 0.000 0.211 478 G HA3 0.323 4.286 3.960 0.004 0.000 0.211 478 G C 0.579 175.491 174.900 0.020 0.000 1.143 478 G CA 0.005 45.116 45.100 0.018 0.000 0.788 478 G HN 0.614 nan 8.290 nan 0.000 0.534 479 L N 0.891 122.127 121.223 0.022 0.000 3.660 479 L HA -0.145 4.198 4.340 0.004 0.000 0.440 479 L C -0.827 176.055 176.870 0.020 0.000 1.262 479 L CA -0.083 54.771 54.840 0.023 0.000 0.837 479 L CB -1.671 40.404 42.059 0.027 0.000 1.689 479 L HN 0.233 nan 8.230 nan 0.000 0.890 480 D N 1.368 121.778 120.400 0.017 0.000 2.434 480 D HA 0.275 4.918 4.640 0.004 0.000 0.252 480 D C 1.366 177.675 176.300 0.015 0.000 1.185 480 D CA 1.370 55.379 54.000 0.015 0.000 0.886 480 D CB 1.269 42.077 40.800 0.013 0.000 1.148 480 D HN 0.545 nan 8.370 nan 0.000 0.483 481 G N 1.506 110.315 108.800 0.015 0.000 2.217 481 G HA2 -0.282 3.681 3.960 0.004 0.000 0.246 481 G HA3 -0.282 3.681 3.960 0.004 0.000 0.246 481 G C 0.467 175.378 174.900 0.019 0.000 0.990 481 G CA 0.039 45.149 45.100 0.016 0.000 0.627 481 G HN 0.519 nan 8.290 nan 0.000 0.522 482 V N 2.730 122.657 119.914 0.021 0.000 2.715 482 V HA 0.482 4.605 4.120 0.004 0.000 0.299 482 V C 1.500 177.609 176.094 0.025 0.000 1.054 482 V CA 0.191 62.506 62.300 0.026 0.000 1.077 482 V CB 1.349 33.189 31.823 0.028 0.000 0.972 482 V HN 1.068 nan 8.190 nan 0.000 0.484 483 S N 4.951 120.669 115.700 0.030 0.000 2.569 483 S HA 0.124 4.597 4.470 0.004 0.000 0.274 483 S C -1.714 172.899 174.600 0.022 0.000 1.353 483 S CA -0.631 57.586 58.200 0.027 0.000 1.023 483 S CB 0.425 63.647 63.200 0.036 0.000 0.876 483 S HN 0.579 nan 8.310 nan 0.000 0.540 484 P HA -0.066 nan 4.420 nan 0.000 0.215 484 P C 1.701 179.006 177.300 0.008 0.000 1.157 484 P CA 1.984 65.091 63.100 0.012 0.000 0.868 484 P CB -0.282 31.423 31.700 0.008 0.000 0.788 485 A N -0.220 122.603 122.820 0.004 0.000 1.908 485 A HA -0.113 4.210 4.320 0.004 0.000 0.218 485 A C 2.503 180.086 177.584 -0.002 0.000 1.181 485 A CA 2.191 54.223 52.037 -0.008 0.000 0.627 485 A CB -1.924 17.067 19.000 -0.016 0.000 0.818 485 A HN 0.281 nan 8.150 nan 0.000 0.445 486 G N -0.504 108.305 108.800 0.015 0.000 2.418 486 G HA2 -0.223 3.740 3.960 0.004 0.000 0.217 486 G HA3 -0.223 3.740 3.960 0.004 0.000 0.217 486 G C 1.685 176.604 174.900 0.031 0.000 1.158 486 G CA 1.107 46.223 45.100 0.027 0.000 0.771 486 G HN 0.573 nan 8.290 nan 0.000 0.545 487 K N 0.167 120.583 120.400 0.027 0.000 2.026 487 K HA -0.061 4.262 4.320 0.004 0.000 0.208 487 K C 2.448 179.067 176.600 0.031 0.000 1.048 487 K CA 1.324 57.628 56.287 0.029 0.000 0.929 487 K CB -0.141 32.374 32.500 0.024 0.000 0.713 487 K HN 0.246 nan 8.250 nan 0.000 0.439 488 K N 1.336 121.750 120.400 0.022 0.000 2.057 488 K HA -0.132 4.191 4.320 0.004 0.000 0.207 488 K C 2.154 178.775 176.600 0.036 0.000 1.049 488 K CA 0.959 57.259 56.287 0.022 0.000 0.931 488 K CB -0.074 32.430 32.500 0.006 0.000 0.714 488 K HN 0.102 nan 8.250 nan 0.000 0.440 489 L N 0.575 121.817 121.223 0.032 0.000 2.027 489 L HA -0.168 4.175 4.340 0.004 0.000 0.206 489 L C 2.060 178.997 176.870 0.112 0.000 1.074 489 L CA 1.114 55.991 54.840 0.062 0.000 0.745 489 L CB -0.151 41.928 42.059 0.033 0.000 0.898 489 L HN 0.015 nan 8.230 nan 0.000 0.433 490 V N -0.032 119.935 119.914 0.090 0.000 2.343 490 V HA -0.307 3.816 4.120 0.004 0.000 0.247 490 V C 2.478 178.628 176.094 0.093 0.000 1.051 490 V CA 1.998 64.356 62.300 0.096 0.000 1.036 490 V CB -0.664 31.203 31.823 0.072 0.000 0.654 490 V HN 0.551 nan 8.190 nan 0.000 0.451 491 Q N -0.013 119.830 119.800 0.072 0.000 2.096 491 Q HA -0.195 4.148 4.340 0.004 0.000 0.204 491 Q C 2.440 178.481 176.000 0.069 0.000 0.982 491 Q CA 1.854 57.693 55.803 0.060 0.000 0.850 491 Q CB -0.455 28.309 28.738 0.043 0.000 0.901 491 Q HN 0.673 nan 8.270 nan 0.000 0.422 492 A N 0.894 123.763 122.820 0.082 0.000 1.902 492 A HA -0.153 4.170 4.320 0.004 0.000 0.217 492 A C 2.084 179.739 177.584 0.119 0.000 1.181 492 A CA 1.061 53.151 52.037 0.089 0.000 0.623 492 A CB -0.650 18.416 19.000 0.111 0.000 0.818 492 A HN 0.279 nan 8.150 nan 0.000 0.443 493 L N -1.061 120.268 121.223 0.176 0.000 2.046 493 L HA -0.154 4.189 4.340 0.004 0.000 0.208 493 L C 2.665 179.684 176.870 0.248 0.000 1.077 493 L CA 1.001 55.999 54.840 0.264 0.000 0.747 493 L CB -0.417 41.782 42.059 0.234 0.000 0.896 493 L HN 0.268 nan 8.230 nan 0.000 0.432 494 R N 0.279 120.871 120.500 0.154 0.000 2.293 494 R HA -0.130 4.213 4.340 0.004 0.000 0.219 494 R C 1.836 178.160 176.300 0.041 0.000 1.091 494 R CA 0.718 56.883 56.100 0.109 0.000 1.004 494 R CB -0.357 29.994 30.300 0.084 0.000 0.865 494 R HN 0.537 nan 8.270 nan 0.000 0.469 495 E N -0.020 120.190 120.200 0.017 0.000 2.204 495 E HA -0.137 4.216 4.350 0.004 0.000 0.194 495 E C 1.410 177.938 176.600 -0.120 0.000 0.989 495 E CA 0.785 57.162 56.400 -0.037 0.000 0.824 495 E CB 0.299 29.980 29.700 -0.031 0.000 0.756 495 E HN 0.219 nan 8.360 nan 0.000 0.477 496 Q N -1.280 118.391 119.800 -0.214 0.000 2.342 496 Q HA 0.135 4.478 4.340 0.004 0.000 0.261 496 Q C -0.370 175.200 176.000 -0.716 0.000 0.841 496 Q CA 0.312 55.802 55.803 -0.522 0.000 0.969 496 Q CB 0.861 29.120 28.738 -0.798 0.000 1.136 496 Q HN 0.102 nan 8.270 nan 0.000 0.528 497 F N 2.205 122.151 119.950 -0.006 0.000 2.382 497 F HA 0.438 4.968 4.527 0.004 0.000 0.361 497 F C -2.122 173.694 175.800 0.026 0.000 1.109 497 F CA -2.622 55.384 58.000 0.011 0.000 1.031 497 F CB 1.301 40.313 39.000 0.020 0.000 1.234 497 F HN -0.198 nan 8.300 nan 0.000 0.445 498 P HA 0.196 nan 4.420 nan 0.000 0.272 498 P C -2.486 174.887 177.300 0.121 0.000 1.230 498 P CA -1.051 62.108 63.100 0.098 0.000 0.788 498 P CB 0.159 31.891 31.700 0.053 0.000 0.949 499 P HA 0.077 nan 4.420 nan 0.000 0.270 499 P C -0.638 176.708 177.300 0.076 0.000 1.223 499 P CA -0.098 63.064 63.100 0.103 0.000 0.785 499 P CB 0.277 32.023 31.700 0.077 0.000 0.923 500 L N 2.465 123.735 121.223 0.077 0.000 2.389 500 L HA 0.138 4.481 4.340 0.004 0.000 0.265 500 L C 1.001 177.874 176.870 0.005 0.000 1.167 500 L CA 0.582 55.415 54.840 -0.011 0.000 1.045 500 L CB -0.914 41.049 42.059 -0.160 0.000 1.351 500 L HN 0.322 nan 8.230 nan 0.000 0.419 501 E N 0.611 120.818 120.200 0.013 0.000 2.216 501 E HA -0.011 4.342 4.350 0.004 0.000 0.192 501 E C 0.337 176.947 176.600 0.016 0.000 0.988 501 E CA 0.644 57.055 56.400 0.019 0.000 0.834 501 E CB 0.303 30.014 29.700 0.019 0.000 0.772 501 E HN 0.577 nan 8.360 nan 0.000 0.479 502 T N -0.017 114.535 114.554 -0.003 0.000 2.868 502 T HA 0.125 4.477 4.350 0.004 0.000 0.306 502 T C -1.786 172.891 174.700 -0.038 0.000 1.224 502 T CA -1.014 61.083 62.100 -0.005 0.000 1.012 502 T CB 1.385 70.253 68.868 -0.001 0.000 1.221 502 T HN -0.231 nan 8.240 nan 0.000 0.499 503 D N 2.680 123.055 120.400 -0.041 0.000 2.493 503 D HA 0.362 5.005 4.640 0.004 0.000 0.240 503 D C 0.549 176.808 176.300 -0.068 0.000 1.142 503 D CA 0.553 54.508 54.000 -0.074 0.000 0.872 503 D CB 0.408 41.171 40.800 -0.061 0.000 1.173 503 D HN 0.655 nan 8.370 nan 0.000 0.467 504 R N 0.521 120.968 120.500 -0.089 0.000 2.734 504 R HA 0.628 4.971 4.340 0.004 0.000 0.271 504 R C -3.119 173.144 176.300 -0.062 0.000 1.021 504 R CA -1.726 54.337 56.100 -0.061 0.000 0.893 504 R CB 0.244 30.517 30.300 -0.045 0.000 1.244 504 R HN -0.009 nan 8.270 nan 0.000 0.464 505 P HA 0.131 nan 4.420 nan 0.000 0.267 505 P C -0.303 176.987 177.300 -0.016 0.000 1.209 505 P CA -0.169 62.916 63.100 -0.026 0.000 0.763 505 P CB 0.575 32.267 31.700 -0.013 0.000 0.816 506 L N 1.817 123.031 121.223 -0.015 0.000 2.664 506 L HA 0.163 4.506 4.340 0.004 0.000 0.233 506 L C 2.339 179.222 176.870 0.022 0.000 1.113 506 L CA 0.411 55.255 54.840 0.006 0.000 0.896 506 L CB -0.360 41.701 42.059 0.003 0.000 1.163 506 L HN 0.522 nan 8.230 nan 0.000 0.497 507 G N 0.245 109.054 108.800 0.014 0.000 2.529 507 G HA2 -0.314 3.649 3.960 0.004 0.000 0.219 507 G HA3 -0.314 3.649 3.960 0.004 0.000 0.219 507 G C 1.414 176.329 174.900 0.024 0.000 1.177 507 G CA 0.780 45.889 45.100 0.016 0.000 0.773 507 G HN 0.386 nan 8.290 nan 0.000 0.573 508 Q N -0.136 119.684 119.800 0.033 0.000 2.119 508 Q HA -0.075 4.267 4.340 0.004 0.000 0.201 508 Q C 2.524 178.572 176.000 0.080 0.000 0.972 508 Q CA 1.266 57.097 55.803 0.046 0.000 0.847 508 Q CB -0.116 28.647 28.738 0.042 0.000 0.903 508 Q HN 0.632 nan 8.270 nan 0.000 0.433 509 E N 0.663 120.925 120.200 0.104 0.000 2.072 509 E HA -0.152 4.200 4.350 0.004 0.000 0.191 509 E C 1.995 178.606 176.600 0.019 0.000 0.985 509 E CA 0.783 57.294 56.400 0.184 0.000 0.801 509 E CB -0.043 29.784 29.700 0.210 0.000 0.750 509 E HN 0.317 nan 8.360 nan 0.000 0.452 510 I N 1.121 121.676 120.570 -0.026 0.000 2.163 510 I HA -0.312 3.861 4.170 0.004 0.000 0.243 510 I C 2.541 178.624 176.117 -0.056 0.000 1.085 510 I CA 1.126 62.381 61.300 -0.076 0.000 1.347 510 I CB -0.331 37.651 38.000 -0.030 0.000 1.044 510 I HN 0.105 nan 8.210 nan 0.000 0.408 511 A N 0.608 123.424 122.820 -0.006 0.000 1.902 511 A HA -0.160 4.163 4.320 0.004 0.000 0.217 511 A C 2.531 180.128 177.584 0.022 0.000 1.181 511 A CA 1.883 53.922 52.037 0.005 0.000 0.623 511 A CB -0.831 18.180 19.000 0.019 0.000 0.818 511 A HN 0.447 nan 8.150 nan 0.000 0.443 512 A N -0.568 122.293 122.820 0.069 0.000 1.877 512 A HA -0.018 4.305 4.320 0.004 0.000 0.216 512 A C 2.120 179.786 177.584 0.138 0.000 1.186 512 A CA 1.726 53.841 52.037 0.130 0.000 0.620 512 A CB -0.642 18.495 19.000 0.228 0.000 0.822 512 A HN 0.636 nan 8.150 nan 0.000 0.443 513 L N -0.112 121.141 121.223 0.050 0.000 2.046 513 L HA -0.064 4.279 4.340 0.004 0.000 0.208 513 L C 2.685 179.478 176.870 -0.129 0.000 1.077 513 L CA 2.132 56.910 54.840 -0.103 0.000 0.747 513 L CB -0.955 40.789 42.059 -0.524 0.000 0.896 513 L HN 0.363 nan 8.230 nan 0.000 0.432 514 A N -1.662 121.076 122.820 -0.136 0.000 1.908 514 A HA -0.240 4.083 4.320 0.004 0.000 0.218 514 A C 2.271 179.795 177.584 -0.101 0.000 1.181 514 A CA 2.386 54.332 52.037 -0.151 0.000 0.627 514 A CB -1.232 17.710 19.000 -0.097 0.000 0.818 514 A HN 0.509 nan 8.150 nan 0.000 0.445 515 T N -1.433 113.106 114.554 -0.024 0.000 2.759 515 T HA -0.173 4.179 4.350 0.004 0.000 0.269 515 T C 1.861 176.568 174.700 0.012 0.000 1.042 515 T CA 1.930 64.034 62.100 0.008 0.000 1.140 515 T CB -0.396 68.497 68.868 0.042 0.000 0.864 515 T HN 0.810 nan 8.240 nan 0.000 0.455 516 H N 1.147 120.179 119.070 -0.063 0.000 2.326 516 H HA 0.107 4.665 4.556 0.004 0.000 0.301 516 H C 2.039 177.294 175.328 -0.121 0.000 1.081 516 H CA 1.221 57.236 56.048 -0.054 0.000 1.334 516 H CB -0.536 29.220 29.762 -0.009 0.000 1.385 516 H HN 0.230 nan 8.280 nan 0.000 0.504 517 L N -0.021 120.995 121.223 -0.345 0.000 2.081 517 L HA -0.204 4.139 4.340 0.004 0.000 0.212 517 L C 2.392 179.079 176.870 -0.305 0.000 1.080 517 L CA 1.222 55.708 54.840 -0.590 0.000 0.754 517 L CB -0.584 40.979 42.059 -0.828 0.000 0.893 517 L HN 0.343 nan 8.230 nan 0.000 0.433 518 L N -0.864 120.235 121.223 -0.207 0.000 2.275 518 L HA -0.176 4.167 4.340 0.004 0.000 0.215 518 L C 2.293 179.130 176.870 -0.055 0.000 1.119 518 L CA 1.018 55.809 54.840 -0.082 0.000 0.790 518 L CB -0.230 41.816 42.059 -0.022 0.000 0.919 518 L HN 0.385 nan 8.230 nan 0.000 0.443 519 Q N -1.523 118.157 119.800 -0.200 0.000 2.316 519 Q HA 0.187 4.530 4.340 0.004 0.000 0.235 519 Q C 0.029 175.627 176.000 -0.670 0.000 0.863 519 Q CA 0.106 55.762 55.803 -0.244 0.000 0.939 519 Q CB 1.035 29.730 28.738 -0.071 0.000 1.108 519 Q HN 0.448 nan 8.270 nan 0.000 0.522 520 Q N -0.253 119.105 119.800 -0.737 0.000 2.379 520 Q HA 0.455 4.798 4.340 0.004 0.000 0.278 520 Q C -1.298 174.578 176.000 -0.207 0.000 1.068 520 Q CA -0.404 55.035 55.803 -0.607 0.000 0.816 520 Q CB 2.725 31.249 28.738 -0.356 0.000 1.387 520 Q HN -0.066 nan 8.270 nan 0.000 0.413 521 S N 1.941 117.594 115.700 -0.079 0.000 2.690 521 S HA 0.575 5.048 4.470 0.004 0.000 0.291 521 S C -2.420 171.972 174.600 -0.347 0.000 1.138 521 S CA -1.134 56.977 58.200 -0.149 0.000 1.013 521 S CB 0.950 64.117 63.200 -0.055 0.000 1.053 521 S HN 0.411 nan 8.310 nan 0.000 0.539 522 P HA 0.386 nan 4.420 nan 0.000 0.286 522 P C -1.091 176.006 177.300 -0.339 0.000 1.321 522 P CA -0.063 62.629 63.100 -0.680 0.000 0.790 522 P CB 0.427 31.422 31.700 -1.174 0.000 0.897 523 V N 0.000 119.811 119.914 -0.172 0.000 2.409 523 V HA 0.000 4.123 4.120 0.004 0.000 0.244 523 V CA 0.000 62.237 62.300 -0.105 0.000 1.235 523 V CB 0.000 31.777 31.823 -0.076 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556