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 2o7d_1_A DATA FIRST_RESID 7 DATA SEQUENCE PKPAVELDRH IDLDQAHAVA SGGARIVLAP PARDRCRASE ARLGAVIREA DATA SEQUENCE RHVYGLTTGF GPLANRLISG ENVRTLQANL VHHLASGVGP 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 63.108 63.100 0.013 0.000 0.800 7 P CB 0.000 31.707 31.700 0.011 0.000 0.726 8 K N 2.606 123.017 120.400 0.018 0.000 2.369 8 K HA -0.085 4.191 4.320 -0.073 0.000 0.245 8 K C -1.833 174.779 176.600 0.019 0.000 1.112 8 K CA -0.134 56.166 56.287 0.021 0.000 1.179 8 K CB -0.035 32.479 32.500 0.022 0.000 0.734 8 K HN 0.167 nan 8.250 nan 0.000 0.502 9 P HA -0.017 nan 4.420 nan 0.000 0.269 9 P C -1.362 175.947 177.300 0.015 0.000 1.211 9 P CA -0.031 63.081 63.100 0.019 0.000 0.781 9 P CB 0.873 32.588 31.700 0.024 0.000 0.877 10 A N 1.432 124.259 122.820 0.012 0.000 2.356 10 A HA 0.549 4.826 4.320 -0.073 0.000 0.310 10 A C -1.050 176.538 177.584 0.005 0.000 1.075 10 A CA -0.579 51.463 52.037 0.007 0.000 0.746 10 A CB 1.139 20.142 19.000 0.006 0.000 1.221 10 A HN 0.303 nan 8.150 nan 0.000 0.443 11 V N 2.447 122.362 119.914 0.000 0.000 2.350 11 V HA 0.300 4.376 4.120 -0.073 0.000 0.276 11 V C 0.272 176.363 176.094 -0.005 0.000 1.028 11 V CA -0.338 61.960 62.300 -0.003 0.000 0.860 11 V CB 1.245 33.062 31.823 -0.010 0.000 0.990 11 V HN 0.953 nan 8.190 nan 0.000 0.453 12 E N 4.595 124.794 120.200 -0.001 0.000 2.089 12 E HA 0.347 4.653 4.350 -0.073 0.000 0.284 12 E C -0.901 175.698 176.600 -0.002 0.000 1.023 12 E CA -0.783 55.616 56.400 -0.001 0.000 0.819 12 E CB 1.194 30.896 29.700 0.003 0.000 1.076 12 E HN 0.564 nan 8.360 nan 0.000 0.396 13 L N 5.387 126.605 121.223 -0.008 0.000 2.281 13 L HA 0.254 4.550 4.340 -0.073 0.000 0.285 13 L C -0.118 176.750 176.870 -0.003 0.000 1.074 13 L CA 0.540 55.374 54.840 -0.010 0.000 0.817 13 L CB 1.176 43.223 42.059 -0.020 0.000 1.168 13 L HN 0.723 nan 8.230 nan 0.000 0.434 14 D N 2.952 123.356 120.400 0.006 0.000 3.061 14 D HA 0.183 4.780 4.640 -0.073 0.000 0.243 14 D C 1.345 177.654 176.300 0.016 0.000 1.572 14 D CA 0.775 54.782 54.000 0.012 0.000 1.269 14 D CB 0.676 41.487 40.800 0.019 0.000 1.023 14 D HN 0.569 nan 8.370 nan 0.000 0.280 15 R N -1.733 118.788 120.500 0.035 0.000 2.215 15 R HA 0.216 4.513 4.340 -0.073 0.000 0.190 15 R C 0.217 176.562 176.300 0.075 0.000 0.968 15 R CA -0.166 55.962 56.100 0.046 0.000 1.122 15 R CB 0.391 30.722 30.300 0.051 0.000 1.151 15 R HN 0.219 nan 8.270 nan 0.000 0.582 16 H N 0.241 119.304 119.070 -0.013 0.000 2.492 16 H HA 0.561 5.073 4.556 -0.074 0.000 0.345 16 H C -1.358 173.963 175.328 -0.012 0.000 1.136 16 H CA -0.630 55.409 56.048 -0.014 0.000 1.202 16 H CB 1.375 31.129 29.762 -0.013 0.000 1.524 16 H HN 0.028 nan 8.280 nan 0.000 0.506 17 I N 4.408 124.635 120.570 -0.571 0.000 2.607 17 I HA 0.241 4.367 4.170 -0.073 0.000 0.290 17 I C -1.177 174.659 176.117 -0.469 0.000 1.129 17 I CA -0.867 60.230 61.300 -0.338 0.000 1.042 17 I CB 1.456 39.349 38.000 -0.179 0.000 1.242 17 I HN 0.846 nan 8.210 nan 0.000 0.421 18 D N 6.141 126.419 120.400 -0.205 0.000 2.411 18 D HA 0.188 4.785 4.640 -0.073 0.000 0.251 18 D C 1.012 177.276 176.300 -0.059 0.000 1.201 18 D CA -0.508 53.435 54.000 -0.096 0.000 0.996 18 D CB 0.934 41.755 40.800 0.035 0.000 1.101 18 D HN 0.510 nan 8.370 nan 0.000 0.504 19 L N -0.391 120.823 121.223 -0.015 0.000 2.083 19 L HA -0.146 4.151 4.340 -0.073 0.000 0.209 19 L C 1.564 178.465 176.870 0.053 0.000 1.083 19 L CA 1.372 56.222 54.840 0.017 0.000 0.752 19 L CB -0.481 41.600 42.059 0.038 0.000 0.899 19 L HN 0.446 nan 8.230 nan 0.000 0.433 20 D N -0.157 120.275 120.400 0.053 0.000 2.097 20 D HA -0.177 4.419 4.640 -0.073 0.000 0.197 20 D C 2.320 178.657 176.300 0.061 0.000 0.984 20 D CA 1.124 55.171 54.000 0.078 0.000 0.826 20 D CB -0.134 40.704 40.800 0.065 0.000 0.973 20 D HN 0.398 nan 8.370 nan 0.000 0.460 21 Q N 0.417 120.234 119.800 0.028 0.000 2.084 21 Q HA -0.088 4.208 4.340 -0.073 0.000 0.202 21 Q C 2.233 178.230 176.000 -0.006 0.000 0.978 21 Q CA 1.409 57.218 55.803 0.009 0.000 0.844 21 Q CB -0.127 28.605 28.738 -0.010 0.000 0.898 21 Q HN 0.206 nan 8.270 nan 0.000 0.426 22 A N 0.871 123.682 122.820 -0.014 0.000 1.908 22 A HA -0.251 4.026 4.320 -0.073 0.000 0.218 22 A C 1.960 179.525 177.584 -0.032 0.000 1.181 22 A CA 1.694 53.712 52.037 -0.033 0.000 0.627 22 A CB -0.851 18.128 19.000 -0.034 0.000 0.818 22 A HN 0.456 nan 8.150 nan 0.000 0.445 23 H N -0.119 118.895 119.070 -0.092 0.000 2.462 23 H HA 0.061 4.575 4.556 -0.070 0.000 0.292 23 H C 2.221 177.463 175.328 -0.143 0.000 1.049 23 H CA 1.347 57.301 56.048 -0.156 0.000 1.334 23 H CB -0.121 29.456 29.762 -0.308 0.000 1.404 23 H HN 0.416 nan 8.280 nan 0.000 0.544 24 A N 0.387 123.205 122.820 -0.002 0.000 1.902 24 A HA -0.091 4.185 4.320 -0.073 0.000 0.217 24 A C 2.790 180.341 177.584 -0.055 0.000 1.181 24 A CA 1.535 53.572 52.037 0.001 0.000 0.623 24 A CB -0.747 18.273 19.000 0.033 0.000 0.818 24 A HN 0.282 nan 8.150 nan 0.000 0.443 25 V N -0.352 119.516 119.914 -0.075 0.000 2.323 25 V HA -0.149 3.928 4.120 -0.073 0.000 0.244 25 V C 3.047 179.049 176.094 -0.154 0.000 1.041 25 V CA 1.687 63.935 62.300 -0.087 0.000 1.025 25 V CB -1.220 30.556 31.823 -0.077 0.000 0.656 25 V HN 0.586 nan 8.190 nan 0.000 0.451 26 A N 0.918 123.607 122.820 -0.218 0.000 1.940 26 A HA -0.214 4.063 4.320 -0.073 0.000 0.219 26 A C 2.395 179.763 177.584 -0.360 0.000 1.176 26 A CA 2.345 54.197 52.037 -0.308 0.000 0.631 26 A CB -0.676 18.143 19.000 -0.301 0.000 0.814 26 A HN 0.697 nan 8.150 nan 0.000 0.446 27 S N -2.097 113.415 115.700 -0.312 0.000 2.593 27 S HA 0.375 4.801 4.470 -0.073 0.000 0.217 27 S C 1.384 176.116 174.600 0.220 0.000 0.966 27 S CA 1.024 59.188 58.200 -0.059 0.000 0.914 27 S CB -0.287 62.793 63.200 -0.201 0.000 0.776 27 S HN 1.957 nan 8.310 nan 0.000 0.523 28 G N 0.416 109.270 108.800 0.090 0.000 2.148 28 G HA2 -0.198 3.718 3.960 -0.073 0.000 0.254 28 G HA3 -0.198 3.718 3.960 -0.073 0.000 0.254 28 G C 0.782 175.752 174.900 0.117 0.000 0.981 28 G CA 0.092 45.302 45.100 0.183 0.000 0.670 28 G HN 0.975 nan 8.290 nan 0.000 0.528 29 G N -0.669 108.173 108.800 0.071 0.000 2.712 29 G HA2 0.608 4.524 3.960 -0.073 0.000 0.212 29 G HA3 0.608 4.524 3.960 -0.073 0.000 0.212 29 G C 0.585 175.512 174.900 0.045 0.000 1.142 29 G CA 1.607 46.745 45.100 0.064 0.000 0.789 29 G HN 1.827 nan 8.290 nan 0.000 0.535 30 A N -0.350 122.487 122.820 0.029 0.000 2.549 30 A HA 0.776 5.052 4.320 -0.073 0.000 0.297 30 A C -0.329 177.260 177.584 0.008 0.000 1.061 30 A CA -0.835 51.212 52.037 0.018 0.000 0.690 30 A CB 1.505 20.513 19.000 0.013 0.000 1.287 30 A HN 0.192 nan 8.150 nan 0.000 0.402 31 R N 0.054 120.559 120.500 0.008 0.000 2.583 31 R HA 0.666 4.962 4.340 -0.073 0.000 0.268 31 R C -0.659 175.637 176.300 -0.008 0.000 1.101 31 R CA -0.335 55.766 56.100 0.002 0.000 1.180 31 R CB 1.139 31.443 30.300 0.005 0.000 1.128 31 R HN 0.683 nan 8.270 nan 0.000 0.568 32 I N 0.827 121.389 120.570 -0.013 0.000 2.545 32 I HA 0.423 4.549 4.170 -0.073 0.000 0.292 32 I C -1.439 174.669 176.117 -0.014 0.000 1.040 32 I CA -0.897 60.392 61.300 -0.018 0.000 1.068 32 I CB 1.943 39.926 38.000 -0.029 0.000 1.251 32 I HN 0.283 nan 8.210 nan 0.000 0.424 33 V N 7.935 127.842 119.914 -0.012 0.000 2.841 33 V HA 0.497 4.573 4.120 -0.073 0.000 0.310 33 V C -1.409 174.679 176.094 -0.010 0.000 1.090 33 V CA -0.693 61.601 62.300 -0.009 0.000 0.930 33 V CB 2.149 33.969 31.823 -0.005 0.000 1.014 33 V HN 0.640 nan 8.190 nan 0.000 0.425 34 L N 6.300 127.516 121.223 -0.010 0.000 2.281 34 L HA 0.766 5.063 4.340 -0.073 0.000 0.285 34 L C 0.708 177.575 176.870 -0.006 0.000 1.074 34 L CA 0.591 55.425 54.840 -0.010 0.000 0.817 34 L CB 0.891 42.943 42.059 -0.012 0.000 1.168 34 L HN 0.911 nan 8.230 nan 0.000 0.434 35 A N 6.942 129.760 122.820 -0.004 0.000 2.445 35 A HA 0.371 4.647 4.320 -0.073 0.000 0.242 35 A C -1.571 176.012 177.584 -0.002 0.000 1.075 35 A CA -0.775 51.262 52.037 -0.001 0.000 0.777 35 A CB -0.367 18.634 19.000 0.003 0.000 1.013 35 A HN 0.790 nan 8.150 nan 0.000 0.493 36 P HA -0.197 nan 4.420 nan 0.000 0.217 36 P C -1.283 176.017 177.300 -0.001 0.000 1.162 36 P CA 2.257 65.356 63.100 -0.002 0.000 0.901 36 P CB -0.759 30.940 31.700 -0.001 0.000 0.793 37 P HA -0.145 nan 4.420 nan 0.000 0.218 37 P C 1.250 178.551 177.300 0.001 0.000 1.149 37 P CA 1.923 65.024 63.100 0.002 0.000 0.817 37 P CB -0.425 31.277 31.700 0.004 0.000 0.785 38 A N 0.635 123.455 122.820 0.001 0.000 1.897 38 A HA -0.140 4.137 4.320 -0.073 0.000 0.215 38 A C 2.564 180.146 177.584 -0.004 0.000 1.181 38 A CA 1.230 53.267 52.037 -0.000 0.000 0.620 38 A CB -1.255 17.744 19.000 -0.002 0.000 0.821 38 A HN 0.027 nan 8.150 nan 0.000 0.443 39 R N -0.183 120.313 120.500 -0.006 0.000 2.091 39 R HA -0.187 4.109 4.340 -0.073 0.000 0.238 39 R C 1.317 177.611 176.300 -0.010 0.000 1.136 39 R CA 2.014 58.108 56.100 -0.010 0.000 0.959 39 R CB -0.390 29.904 30.300 -0.010 0.000 0.856 39 R HN 0.471 nan 8.270 nan 0.000 0.437 40 D N -0.014 120.383 120.400 -0.007 0.000 2.117 40 D HA -0.127 4.469 4.640 -0.073 0.000 0.198 40 D C 2.066 178.363 176.300 -0.004 0.000 0.982 40 D CA 1.009 55.005 54.000 -0.006 0.000 0.828 40 D CB -0.196 40.602 40.800 -0.003 0.000 0.967 40 D HN 0.284 nan 8.370 nan 0.000 0.464 41 R N 0.138 120.637 120.500 -0.001 0.000 2.105 41 R HA -0.090 4.206 4.340 -0.073 0.000 0.239 41 R C 2.503 178.804 176.300 0.002 0.000 1.135 41 R CA 1.017 57.119 56.100 0.003 0.000 0.967 41 R CB -0.476 29.828 30.300 0.007 0.000 0.861 41 R HN 0.236 nan 8.270 nan 0.000 0.442 42 C N -0.141 119.157 119.300 -0.004 0.000 2.446 42 C HA -0.008 4.408 4.460 -0.073 0.000 0.277 42 C C 2.580 177.557 174.990 -0.022 0.000 1.275 42 C CA 0.398 59.410 59.018 -0.009 0.000 1.727 42 C CB -0.771 26.960 27.740 -0.015 0.000 2.010 42 C HN 0.464 nan 8.230 nan 0.000 0.486 43 R N 1.163 121.649 120.500 -0.023 0.000 2.091 43 R HA -0.122 4.174 4.340 -0.073 0.000 0.238 43 R C 2.368 178.652 176.300 -0.027 0.000 1.136 43 R CA 1.666 57.748 56.100 -0.030 0.000 0.959 43 R CB -0.482 29.804 30.300 -0.023 0.000 0.856 43 R HN 0.556 nan 8.270 nan 0.000 0.437 44 A N 0.117 122.927 122.820 -0.016 0.000 1.930 44 A HA -0.156 4.121 4.320 -0.073 0.000 0.217 44 A C 2.172 179.745 177.584 -0.018 0.000 1.175 44 A CA 1.725 53.754 52.037 -0.013 0.000 0.627 44 A CB -0.470 18.529 19.000 -0.002 0.000 0.815 44 A HN 0.294 nan 8.150 nan 0.000 0.443 45 S N -0.810 114.882 115.700 -0.013 0.000 2.387 45 S HA -0.173 4.254 4.470 -0.073 0.000 0.226 45 S C 2.002 176.555 174.600 -0.078 0.000 1.026 45 S CA 1.453 59.645 58.200 -0.014 0.000 0.972 45 S CB -0.318 62.900 63.200 0.030 0.000 0.814 45 S HN 0.676 nan 8.310 nan 0.000 0.477 46 E N 0.439 120.597 120.200 -0.070 0.000 2.085 46 E HA -0.151 4.155 4.350 -0.073 0.000 0.194 46 E C 2.066 178.609 176.600 -0.096 0.000 0.994 46 E CA 1.140 57.484 56.400 -0.093 0.000 0.801 46 E CB -0.362 29.286 29.700 -0.085 0.000 0.743 46 E HN 0.603 nan 8.360 nan 0.000 0.453 47 A N 1.315 124.094 122.820 -0.069 0.000 1.898 47 A HA -0.155 4.121 4.320 -0.073 0.000 0.216 47 A C 2.143 179.676 177.584 -0.084 0.000 1.181 47 A CA 1.279 53.282 52.037 -0.056 0.000 0.620 47 A CB -0.425 18.556 19.000 -0.032 0.000 0.819 47 A HN 0.183 nan 8.150 nan 0.000 0.442 48 R N -1.099 119.338 120.500 -0.104 0.000 2.105 48 R HA -0.130 4.166 4.340 -0.073 0.000 0.239 48 R C 2.044 178.181 176.300 -0.272 0.000 1.135 48 R CA 1.425 57.448 56.100 -0.129 0.000 0.967 48 R CB -0.609 29.643 30.300 -0.079 0.000 0.861 48 R HN 0.499 nan 8.270 nan 0.000 0.442 49 L N 0.578 121.550 121.223 -0.418 0.000 2.093 49 L HA 0.006 4.303 4.340 -0.073 0.000 0.208 49 L C 2.104 178.826 176.870 -0.248 0.000 1.085 49 L CA 1.966 56.467 54.840 -0.564 0.000 0.755 49 L CB -0.951 40.799 42.059 -0.514 0.000 0.904 49 L HN 0.140 nan 8.230 nan 0.000 0.435 50 G N -0.955 107.758 108.800 -0.144 0.000 2.418 50 G HA2 -0.242 3.674 3.960 -0.073 0.000 0.217 50 G HA3 -0.242 3.674 3.960 -0.073 0.000 0.217 50 G C 1.601 176.468 174.900 -0.055 0.000 1.158 50 G CA 0.808 45.869 45.100 -0.066 0.000 0.771 50 G HN 0.626 nan 8.290 nan 0.000 0.545 51 A N 0.112 122.896 122.820 -0.060 0.000 1.902 51 A HA 0.079 4.355 4.320 -0.073 0.000 0.217 51 A C 2.605 180.179 177.584 -0.016 0.000 1.181 51 A CA 1.773 53.792 52.037 -0.030 0.000 0.623 51 A CB -0.676 18.310 19.000 -0.022 0.000 0.818 51 A HN 0.251 nan 8.150 nan 0.000 0.443 52 V N 0.279 120.172 119.914 -0.034 0.000 2.332 52 V HA -0.293 3.783 4.120 -0.073 0.000 0.248 52 V C 2.430 178.541 176.094 0.028 0.000 1.055 52 V CA 2.186 64.497 62.300 0.018 0.000 1.038 52 V CB -0.631 31.208 31.823 0.026 0.000 0.651 52 V HN 0.584 nan 8.190 nan 0.000 0.450 53 I N -0.566 120.002 120.570 -0.002 0.000 2.202 53 I HA -0.232 3.895 4.170 -0.073 0.000 0.242 53 I C 2.723 178.845 176.117 0.008 0.000 1.091 53 I CA 1.671 62.977 61.300 0.010 0.000 1.368 53 I CB -0.473 37.523 38.000 -0.006 0.000 1.058 53 I HN 0.210 nan 8.210 nan 0.000 0.410 54 R N 1.433 121.932 120.500 -0.001 0.000 2.091 54 R HA -0.199 4.097 4.340 -0.073 0.000 0.238 54 R C 1.665 177.970 176.300 0.009 0.000 1.136 54 R CA 1.766 57.867 56.100 0.000 0.000 0.959 54 R CB -0.076 30.222 30.300 -0.004 0.000 0.856 54 R HN 0.435 nan 8.270 nan 0.000 0.437 55 E N -0.460 119.750 120.200 0.017 0.000 2.489 55 E HA 0.114 4.420 4.350 -0.073 0.000 0.193 55 E C 0.225 176.844 176.600 0.033 0.000 1.057 55 E CA 0.366 56.781 56.400 0.025 0.000 0.866 55 E CB 0.505 30.224 29.700 0.031 0.000 0.916 55 E HN 0.454 nan 8.360 nan 0.000 0.500 56 A N 2.169 125.009 122.820 0.034 0.000 2.745 56 A HA -0.226 4.050 4.320 -0.073 0.000 0.296 56 A C 0.005 177.628 177.584 0.065 0.000 1.500 56 A CA 0.524 52.584 52.037 0.039 0.000 0.766 56 A CB -1.260 17.752 19.000 0.020 0.000 1.030 56 A HN 0.138 nan 8.150 nan 0.000 0.489 57 R N 0.213 120.769 120.500 0.093 0.000 2.543 57 R HA 0.131 4.427 4.340 -0.073 0.000 0.277 57 R C 0.539 176.955 176.300 0.194 0.000 1.074 57 R CA -0.175 56.006 56.100 0.135 0.000 1.076 57 R CB 0.121 30.510 30.300 0.148 0.000 0.993 57 R HN 0.719 nan 8.270 nan 0.000 0.459 58 H N 2.029 121.143 119.070 0.074 0.000 3.160 58 H HA 0.197 4.709 4.556 -0.073 0.000 0.257 58 H C -0.876 174.529 175.328 0.129 0.000 1.140 58 H CA -0.343 55.741 56.048 0.061 0.000 1.492 58 H CB 0.191 29.964 29.762 0.018 0.000 1.529 58 H HN 0.050 nan 8.280 nan 0.000 0.490 59 V N 6.431 126.539 119.914 0.323 0.000 2.638 59 V HA -0.001 4.075 4.120 -0.073 0.000 0.306 59 V C -0.707 175.601 176.094 0.357 0.000 1.052 59 V CA -1.016 61.501 62.300 0.362 0.000 0.885 59 V CB 1.306 33.339 31.823 0.350 0.000 0.999 59 V HN 0.656 nan 8.190 nan 0.000 0.424 60 Y N 3.862 124.404 120.300 0.404 0.000 2.802 60 Y HA 0.352 4.859 4.550 -0.073 0.000 0.333 60 Y C 1.350 177.351 175.900 0.169 0.000 1.244 60 Y CA 1.832 60.067 58.100 0.225 0.000 1.558 60 Y CB 0.380 39.031 38.460 0.318 0.000 1.233 60 Y HN 1.056 nan 8.280 nan 0.000 0.547 61 G N 4.033 112.546 108.800 -0.479 0.000 2.225 61 G HA2 -0.296 3.621 3.960 -0.073 0.000 0.254 61 G HA3 -0.296 3.621 3.960 -0.073 0.000 0.254 61 G C 0.625 175.506 174.900 -0.032 0.000 0.988 61 G CA 0.512 45.463 45.100 -0.248 0.000 0.625 61 G HN 0.667 nan 8.290 nan 0.000 0.527 62 L N 0.057 121.291 121.223 0.018 0.000 2.577 62 L HA 0.294 4.591 4.340 -0.073 0.000 0.225 62 L C 2.156 179.037 176.870 0.018 0.000 1.053 62 L CA 1.565 56.441 54.840 0.059 0.000 0.866 62 L CB 0.497 42.635 42.059 0.132 0.000 1.132 62 L HN 0.456 nan 8.230 nan 0.000 0.486 63 T N -3.905 110.658 114.554 0.014 0.000 3.332 63 T HA 0.196 4.502 4.350 -0.073 0.000 0.304 63 T C 0.231 174.902 174.700 -0.048 0.000 0.971 63 T CA 0.072 62.172 62.100 -0.002 0.000 0.954 63 T CB 0.046 68.946 68.868 0.055 0.000 1.175 63 T HN 0.178 nan 8.240 nan 0.000 0.519 64 T N -2.014 112.450 114.554 -0.150 0.000 2.843 64 T HA 0.771 5.078 4.350 -0.073 0.000 0.302 64 T C 0.553 174.940 174.700 -0.522 0.000 1.232 64 T CA -0.292 61.678 62.100 -0.216 0.000 1.009 64 T CB 1.400 70.224 68.868 -0.073 0.000 1.254 64 T HN 0.291 nan 8.240 nan 0.000 0.504 65 G N -0.061 108.480 108.800 -0.431 0.000 2.516 65 G HA2 0.567 4.483 3.960 -0.073 0.000 0.276 65 G HA3 0.567 4.483 3.960 -0.073 0.000 0.276 65 G C -1.072 173.321 174.900 -0.845 0.000 1.390 65 G CA -0.780 43.975 45.100 -0.575 0.000 1.050 65 G HN 0.568 nan 8.290 nan 0.000 0.519 66 F N -1.039 118.863 119.950 -0.078 0.000 2.507 66 F HA 0.618 5.101 4.527 -0.073 0.000 0.327 66 F C 1.084 176.972 175.800 0.146 0.000 1.068 66 F CA 0.345 58.352 58.000 0.011 0.000 0.965 66 F CB 1.504 40.529 39.000 0.042 0.000 1.192 66 F HN 1.044 nan 8.300 nan 0.000 0.476 67 G N 1.961 111.052 108.800 0.485 0.000 2.574 67 G HA2 -0.277 3.640 3.960 -0.073 0.000 0.286 67 G HA3 -0.277 3.640 3.960 -0.073 0.000 0.286 67 G C -1.952 173.058 174.900 0.183 0.000 1.212 67 G CA -0.163 45.093 45.100 0.260 0.000 0.979 67 G HN 0.511 nan 8.290 nan 0.000 0.557 68 P HA 0.122 nan 4.420 nan 0.000 0.225 68 P C 1.782 179.117 177.300 0.059 0.000 1.148 68 P CA 0.813 63.956 63.100 0.073 0.000 0.779 68 P CB -0.076 31.653 31.700 0.049 0.000 0.780 69 L N -1.624 119.635 121.223 0.059 0.000 2.599 69 L HA 0.122 4.418 4.340 -0.073 0.000 0.230 69 L C 2.073 178.940 176.870 -0.005 0.000 1.141 69 L CA 0.183 55.033 54.840 0.017 0.000 0.877 69 L CB -0.725 41.334 42.059 -0.000 0.000 1.009 69 L HN -0.036 nan 8.230 nan 0.000 0.447 70 A N 1.443 124.294 122.820 0.051 0.000 2.125 70 A HA -0.187 4.089 4.320 -0.073 0.000 0.219 70 A C 2.010 179.621 177.584 0.044 0.000 1.156 70 A CA 1.504 53.573 52.037 0.053 0.000 0.671 70 A CB -0.546 18.589 19.000 0.226 0.000 0.794 70 A HN 0.657 nan 8.150 nan 0.000 0.459 71 N N -0.422 118.299 118.700 0.034 0.000 2.550 71 N HA -0.065 4.631 4.740 -0.073 0.000 0.186 71 N C 0.055 175.557 175.510 -0.012 0.000 1.110 71 N CA 0.345 53.408 53.050 0.023 0.000 0.912 71 N CB -0.237 38.261 38.487 0.020 0.000 0.968 71 N HN 0.206 nan 8.380 nan 0.000 0.448 72 R N 0.986 121.467 120.500 -0.032 0.000 2.196 72 R HA 0.388 4.684 4.340 -0.073 0.000 0.340 72 R C -0.222 176.032 176.300 -0.078 0.000 1.043 72 R CA -0.299 55.770 56.100 -0.053 0.000 0.883 72 R CB 0.782 31.048 30.300 -0.056 0.000 1.078 72 R HN 0.150 nan 8.270 nan 0.000 0.462 73 L N 4.238 125.411 121.223 -0.083 0.000 2.397 73 L HA 0.356 4.653 4.340 -0.073 0.000 0.271 73 L C 0.065 176.882 176.870 -0.090 0.000 1.148 73 L CA -0.409 54.367 54.840 -0.105 0.000 0.825 73 L CB 0.602 42.576 42.059 -0.142 0.000 1.117 73 L HN 0.357 nan 8.230 nan 0.000 0.456 74 I N 1.631 122.147 120.570 -0.090 0.000 2.441 74 I HA 0.223 4.349 4.170 -0.073 0.000 0.295 74 I C 0.354 176.440 176.117 -0.052 0.000 0.994 74 I CA -0.249 61.007 61.300 -0.073 0.000 1.144 74 I CB 1.641 39.586 38.000 -0.091 0.000 1.314 74 I HN 0.511 nan 8.210 nan 0.000 0.445 75 S N 3.153 118.829 115.700 -0.040 0.000 2.565 75 S HA 0.358 4.785 4.470 -0.073 0.000 0.276 75 S C 1.494 176.081 174.600 -0.021 0.000 1.326 75 S CA 0.094 58.277 58.200 -0.029 0.000 1.045 75 S CB 1.213 64.398 63.200 -0.025 0.000 0.918 75 S HN 0.891 nan 8.310 nan 0.000 0.505 76 G N 3.081 111.872 108.800 -0.015 0.000 2.507 76 G HA2 -0.258 3.658 3.960 -0.073 0.000 0.221 76 G HA3 -0.258 3.658 3.960 -0.073 0.000 0.221 76 G C 1.248 176.142 174.900 -0.010 0.000 1.119 76 G CA 1.158 46.252 45.100 -0.010 0.000 0.751 76 G HN 0.897 nan 8.290 nan 0.000 0.574 77 E N 0.738 120.931 120.200 -0.012 0.000 2.418 77 E HA -0.048 4.258 4.350 -0.073 0.000 0.197 77 E C 0.990 177.585 176.600 -0.008 0.000 1.026 77 E CA 0.572 56.966 56.400 -0.011 0.000 0.862 77 E CB -0.283 29.411 29.700 -0.010 0.000 0.799 77 E HN 0.402 nan 8.360 nan 0.000 0.518 78 N N 0.660 119.355 118.700 -0.009 0.000 2.203 78 N HA 0.066 4.762 4.740 -0.073 0.000 0.207 78 N C 1.494 177.004 175.510 0.000 0.000 1.130 78 N CA 0.099 53.147 53.050 -0.005 0.000 0.861 78 N CB 0.967 39.448 38.487 -0.009 0.000 1.005 78 N HN 0.002 nan 8.380 nan 0.000 0.507 79 V N 1.289 121.203 119.914 -0.000 0.000 2.407 79 V HA -0.186 3.890 4.120 -0.073 0.000 0.248 79 V C 2.437 178.543 176.094 0.020 0.000 1.055 79 V CA 1.383 63.689 62.300 0.010 0.000 1.049 79 V CB -0.232 31.598 31.823 0.011 0.000 0.662 79 V HN 0.236 nan 8.190 nan 0.000 0.455 80 R N 0.177 120.682 120.500 0.008 0.000 2.083 80 R HA -0.142 4.154 4.340 -0.073 0.000 0.237 80 R C 2.353 178.655 176.300 0.003 0.000 1.137 80 R CA 2.042 58.143 56.100 0.002 0.000 0.951 80 R CB -1.302 28.995 30.300 -0.006 0.000 0.851 80 R HN 0.520 nan 8.270 nan 0.000 0.434 81 T N 2.196 116.756 114.554 0.011 0.000 2.777 81 T HA -0.102 4.204 4.350 -0.073 0.000 0.266 81 T C 1.879 176.601 174.700 0.037 0.000 1.040 81 T CA 0.911 63.022 62.100 0.018 0.000 1.141 81 T CB -0.278 68.605 68.868 0.025 0.000 0.868 81 T HN 0.079 nan 8.240 nan 0.000 0.444 82 L N 1.545 122.801 121.223 0.055 0.000 1.971 82 L HA -0.186 4.110 4.340 -0.073 0.000 0.215 82 L C 2.420 179.403 176.870 0.189 0.000 1.072 82 L CA 1.893 56.806 54.840 0.120 0.000 0.758 82 L CB -0.714 41.390 42.059 0.074 0.000 0.889 82 L HN 0.258 nan 8.230 nan 0.000 0.433 83 Q N -0.835 119.038 119.800 0.122 0.000 2.224 83 Q HA -0.106 4.190 4.340 -0.073 0.000 0.203 83 Q C 2.186 178.139 176.000 -0.078 0.000 0.970 83 Q CA 1.188 57.026 55.803 0.060 0.000 0.865 83 Q CB -0.315 28.452 28.738 0.048 0.000 0.922 83 Q HN 0.720 nan 8.270 nan 0.000 0.445 84 A N 1.856 124.615 122.820 -0.102 0.000 1.898 84 A HA -0.174 4.102 4.320 -0.073 0.000 0.216 84 A C 1.772 179.087 177.584 -0.448 0.000 1.181 84 A CA 1.359 53.233 52.037 -0.272 0.000 0.620 84 A CB -0.315 18.568 19.000 -0.195 0.000 0.819 84 A HN 0.263 nan 8.150 nan 0.000 0.442 85 N N -0.188 118.420 118.700 -0.153 0.000 2.331 85 N HA -0.089 4.607 4.740 -0.073 0.000 0.180 85 N C 1.536 177.075 175.510 0.048 0.000 1.019 85 N CA 1.148 54.209 53.050 0.018 0.000 0.881 85 N CB -0.488 38.091 38.487 0.154 0.000 0.972 85 N HN 0.448 nan 8.380 nan 0.000 0.435 86 L N 1.011 122.197 121.223 -0.062 0.000 1.970 86 L HA -0.108 4.189 4.340 -0.073 0.000 0.212 86 L C 1.947 178.530 176.870 -0.478 0.000 1.071 86 L CA 1.527 56.173 54.840 -0.323 0.000 0.751 86 L CB -0.843 40.828 42.059 -0.646 0.000 0.889 86 L HN -0.110 nan 8.230 nan 0.000 0.432 87 V N -0.123 119.574 119.914 -0.362 0.000 2.392 87 V HA -0.363 3.713 4.120 -0.073 0.000 0.249 87 V C 2.412 178.365 176.094 -0.236 0.000 1.059 87 V CA 2.277 64.384 62.300 -0.321 0.000 1.051 87 V CB -1.053 30.609 31.823 -0.268 0.000 0.658 87 V HN 0.641 nan 8.190 nan 0.000 0.455 88 H N -0.456 118.503 119.070 -0.184 0.000 2.270 88 H HA -0.181 4.331 4.556 -0.073 0.000 0.299 88 H C 2.389 177.644 175.328 -0.121 0.000 1.077 88 H CA 1.661 57.634 56.048 -0.125 0.000 1.294 88 H CB -0.261 29.479 29.762 -0.037 0.000 1.371 88 H HN 0.667 nan 8.280 nan 0.000 0.491 89 H N 0.695 119.795 119.070 0.049 0.000 2.456 89 H HA -0.075 4.437 4.556 -0.073 0.000 0.296 89 H C 1.874 177.174 175.328 -0.046 0.000 1.079 89 H CA 0.969 57.016 56.048 -0.002 0.000 1.322 89 H CB -0.312 29.453 29.762 0.005 0.000 1.388 89 H HN 0.334 nan 8.280 nan 0.000 0.538 90 L N 0.935 121.827 121.223 -0.552 0.000 2.395 90 L HA 0.123 4.419 4.340 -0.073 0.000 0.218 90 L C 1.971 178.683 176.870 -0.263 0.000 1.130 90 L CA 0.373 54.969 54.840 -0.406 0.000 0.826 90 L CB -0.069 41.682 42.059 -0.514 0.000 0.941 90 L HN 0.281 nan 8.230 nan 0.000 0.451 91 A N -0.028 122.606 122.820 -0.309 0.000 3.033 91 A HA 0.125 4.402 4.320 -0.073 0.000 0.250 91 A C 1.298 178.798 177.584 -0.140 0.000 1.633 91 A CA 0.285 52.000 52.037 -0.536 0.000 1.290 91 A CB -0.655 18.010 19.000 -0.557 0.000 1.048 91 A HN 0.359 nan 8.150 nan 0.000 0.648 92 S N -0.755 114.965 115.700 0.034 0.000 2.583 92 S HA 0.371 4.797 4.470 -0.073 0.000 0.239 92 S C 0.880 175.582 174.600 0.170 0.000 0.966 92 S CA 0.054 58.317 58.200 0.106 0.000 0.973 92 S CB 0.016 63.253 63.200 0.060 0.000 0.794 92 S HN 0.711 nan 8.310 nan 0.000 0.463 93 G N 1.414 110.441 108.800 0.378 0.000 2.544 93 G HA2 0.507 4.423 3.960 -0.073 0.000 0.242 93 G HA3 0.507 4.423 3.960 -0.073 0.000 0.242 93 G C -0.145 174.746 174.900 -0.015 0.000 1.247 93 G CA 0.086 45.258 45.100 0.121 0.000 0.840 93 G HN 1.036 nan 8.290 nan 0.000 0.578 94 V N -1.221 118.668 119.914 -0.042 0.000 3.165 94 V HA 1.027 5.103 4.120 -0.073 0.000 0.309 94 V C 0.554 176.617 176.094 -0.052 0.000 1.267 94 V CA -0.085 62.188 62.300 -0.045 0.000 1.067 94 V CB 1.087 32.902 31.823 -0.012 0.000 1.082 94 V HN 2.583 nan 8.190 nan 0.000 0.451 95 G N 0.395 109.171 108.800 -0.040 0.000 2.712 95 G HA2 0.059 3.975 3.960 -0.073 0.000 0.683 95 G HA3 0.059 3.975 3.960 -0.073 0.000 0.683 95 G C -2.711 172.166 174.900 -0.039 0.000 1.320 95 G CA -0.295 44.786 45.100 -0.031 0.000 0.847 95 G HN 1.144 nan 8.290 nan 0.000 0.553 96 P HA 0.388 nan 4.420 nan 0.000 0.266 96 P C 0.884 178.166 177.300 -0.029 0.000 1.195 96 P CA 0.475 63.563 63.100 -0.019 0.000 0.768 96 P CB 0.759 32.456 31.700 -0.003 0.000 0.838 97 V N 1.721 121.617 119.914 -0.030 0.000 3.096 97 V HA 0.133 4.209 4.120 -0.073 0.000 0.306 97 V C 0.704 176.792 176.094 -0.011 0.000 1.088 97 V CA -0.622 61.656 62.300 -0.038 0.000 1.129 97 V CB -0.545 31.259 31.823 -0.031 0.000 1.014 97 V HN 0.295 nan 8.190 nan 0.000 0.486 98 L N 2.657 123.870 121.223 -0.017 0.000 2.461 98 L HA 0.259 4.556 4.340 -0.073 0.000 0.272 98 L C 0.622 177.512 176.870 0.033 0.000 1.197 98 L CA -0.271 54.572 54.840 0.004 0.000 0.836 98 L CB 0.167 42.219 42.059 -0.012 0.000 1.105 98 L HN 1.024 nan 8.230 nan 0.000 0.477 99 D N 0.095 120.530 120.400 0.059 0.000 2.368 99 D HA -0.120 4.476 4.640 -0.073 0.000 0.240 99 D C 0.734 177.123 176.300 0.148 0.000 1.169 99 D CA -0.410 53.657 54.000 0.113 0.000 0.906 99 D CB 0.514 41.387 40.800 0.122 0.000 1.187 99 D HN 0.555 nan 8.370 nan 0.000 0.435 100 W N 1.430 122.734 121.300 0.008 0.000 2.280 100 W HA -0.326 4.290 4.660 -0.074 0.000 0.332 100 W C 2.206 178.720 176.519 -0.007 0.000 1.300 100 W CA 3.014 60.363 57.345 0.007 0.000 1.274 100 W CB -0.883 28.583 29.460 0.010 0.000 1.141 100 W HN 0.459 nan 8.180 nan 0.000 0.474 101 T N -0.367 114.302 114.554 0.191 0.000 2.746 101 T HA -0.205 4.102 4.350 -0.073 0.000 0.267 101 T C 1.573 176.195 174.700 -0.131 0.000 1.039 101 T CA 2.291 64.359 62.100 -0.055 0.000 1.142 101 T CB -0.857 68.071 68.868 0.099 0.000 0.866 101 T HN 0.199 nan 8.240 nan 0.000 0.444 102 T N 1.942 116.477 114.554 -0.031 0.000 2.777 102 T HA 0.024 4.330 4.350 -0.073 0.000 0.266 102 T C 2.429 177.082 174.700 -0.079 0.000 1.040 102 T CA 1.080 63.161 62.100 -0.033 0.000 1.141 102 T CB -0.537 68.341 68.868 0.017 0.000 0.868 102 T HN 0.420 nan 8.240 nan 0.000 0.444 103 A N 1.818 124.581 122.820 -0.096 0.000 1.908 103 A HA -0.143 4.133 4.320 -0.073 0.000 0.218 103 A C 2.369 179.850 177.584 -0.171 0.000 1.181 103 A CA 1.535 53.503 52.037 -0.116 0.000 0.627 103 A CB -0.488 18.447 19.000 -0.107 0.000 0.818 103 A HN 0.414 nan 8.150 nan 0.000 0.445 104 R N -0.649 119.682 120.500 -0.281 0.000 2.115 104 R HA 0.013 4.309 4.340 -0.073 0.000 0.230 104 R C 2.415 178.585 176.300 -0.217 0.000 1.111 104 R CA 1.023 56.933 56.100 -0.316 0.000 0.976 104 R CB -0.406 29.562 30.300 -0.553 0.000 0.870 104 R HN 0.510 nan 8.270 nan 0.000 0.445 105 A N 1.113 123.821 122.820 -0.186 0.000 1.972 105 A HA -0.187 4.089 4.320 -0.073 0.000 0.219 105 A C 2.109 179.639 177.584 -0.090 0.000 1.169 105 A CA 1.300 53.261 52.037 -0.126 0.000 0.635 105 A CB -0.436 18.512 19.000 -0.086 0.000 0.810 105 A HN 0.328 nan 8.150 nan 0.000 0.446 106 M N -0.310 119.239 119.600 -0.085 0.000 2.132 106 M HA -0.116 4.321 4.480 -0.073 0.000 0.263 106 M C 1.875 178.136 176.300 -0.065 0.000 1.065 106 M CA 1.931 57.194 55.300 -0.062 0.000 1.122 106 M CB -0.216 32.350 32.600 -0.055 0.000 1.365 106 M HN 0.191 nan 8.290 nan 0.000 0.411 107 V N 1.078 120.942 119.914 -0.083 0.000 2.332 107 V HA -0.276 3.801 4.120 -0.073 0.000 0.248 107 V C 2.419 178.472 176.094 -0.068 0.000 1.055 107 V CA 1.733 63.989 62.300 -0.074 0.000 1.038 107 V CB -0.975 30.796 31.823 -0.086 0.000 0.651 107 V HN 0.586 nan 8.190 nan 0.000 0.450 108 L N 1.024 122.196 121.223 -0.084 0.000 2.046 108 L HA -0.090 4.206 4.340 -0.073 0.000 0.208 108 L C 2.462 179.296 176.870 -0.061 0.000 1.077 108 L CA 2.392 57.187 54.840 -0.076 0.000 0.747 108 L CB -1.061 40.943 42.059 -0.091 0.000 0.896 108 L HN 0.216 nan 8.230 nan 0.000 0.432 109 A N -0.374 122.411 122.820 -0.058 0.000 1.908 109 A HA -0.285 3.991 4.320 -0.073 0.000 0.218 109 A C 2.480 180.041 177.584 -0.038 0.000 1.181 109 A CA 1.985 53.993 52.037 -0.048 0.000 0.627 109 A CB -0.645 18.331 19.000 -0.041 0.000 0.818 109 A HN 0.498 nan 8.150 nan 0.000 0.445 110 R N -0.697 119.783 120.500 -0.034 0.000 2.075 110 R HA -0.076 4.220 4.340 -0.073 0.000 0.232 110 R C 1.952 178.238 176.300 -0.022 0.000 1.126 110 R CA 1.544 57.630 56.100 -0.024 0.000 0.963 110 R CB -0.674 29.612 30.300 -0.023 0.000 0.858 110 R HN 0.444 nan 8.270 nan 0.000 0.435 111 L N -0.077 121.128 121.223 -0.030 0.000 2.012 111 L HA -0.118 4.178 4.340 -0.073 0.000 0.210 111 L C 1.962 178.816 176.870 -0.027 0.000 1.073 111 L CA 1.709 56.532 54.840 -0.028 0.000 0.748 111 L CB -0.651 41.387 42.059 -0.035 0.000 0.891 111 L HN 0.078 nan 8.230 nan 0.000 0.431 112 V N -0.887 119.005 119.914 -0.036 0.000 2.392 112 V HA -0.300 3.776 4.120 -0.073 0.000 0.249 112 V C 2.793 178.871 176.094 -0.026 0.000 1.059 112 V CA 1.863 64.141 62.300 -0.038 0.000 1.051 112 V CB -0.920 30.870 31.823 -0.055 0.000 0.658 112 V HN 0.662 nan 8.190 nan 0.000 0.455 113 S N -0.354 115.333 115.700 -0.023 0.000 2.356 113 S HA -0.145 4.281 4.470 -0.073 0.000 0.223 113 S C 1.924 176.522 174.600 -0.002 0.000 1.032 113 S CA 1.713 59.905 58.200 -0.014 0.000 1.005 113 S CB -0.349 62.845 63.200 -0.010 0.000 0.867 113 S HN 0.522 nan 8.310 nan 0.000 0.449 114 I N 1.795 122.366 120.570 0.001 0.000 2.264 114 I HA -0.182 3.944 4.170 -0.073 0.000 0.248 114 I C 2.699 178.821 176.117 0.007 0.000 1.111 114 I CA 1.105 62.411 61.300 0.011 0.000 1.382 114 I CB -0.494 37.509 38.000 0.006 0.000 1.060 114 I HN 0.381 nan 8.210 nan 0.000 0.418 115 A N 0.053 122.872 122.820 -0.003 0.000 2.131 115 A HA -0.206 4.070 4.320 -0.073 0.000 0.220 115 A C 2.103 179.689 177.584 0.003 0.000 1.158 115 A CA 1.212 53.247 52.037 -0.003 0.000 0.665 115 A CB -0.340 18.654 19.000 -0.010 0.000 0.795 115 A HN 0.408 nan 8.150 nan 0.000 0.460 116 Q N -1.152 118.651 119.800 0.006 0.000 2.436 116 Q HA 0.070 4.366 4.340 -0.073 0.000 0.209 116 Q C 1.234 177.245 176.000 0.017 0.000 0.965 116 Q CA 0.812 56.621 55.803 0.010 0.000 0.910 116 Q CB -0.598 28.144 28.738 0.005 0.000 0.980 116 Q HN 1.068 nan 8.270 nan 0.000 0.491 117 G N 0.347 109.161 108.800 0.023 0.000 2.212 117 G HA2 -0.187 3.730 3.960 -0.073 0.000 0.255 117 G HA3 -0.187 3.730 3.960 -0.073 0.000 0.255 117 G C 0.433 175.369 174.900 0.060 0.000 1.062 117 G CA 0.401 45.521 45.100 0.033 0.000 0.815 117 G HN 0.529 nan 8.290 nan 0.000 0.497 118 A N -1.061 121.805 122.820 0.077 0.000 2.661 118 A HA 0.721 4.998 4.320 -0.073 0.000 0.278 118 A C 1.607 179.308 177.584 0.197 0.000 1.090 118 A CA 1.363 53.471 52.037 0.119 0.000 0.969 118 A CB 0.276 19.303 19.000 0.046 0.000 1.240 118 A HN 0.790 nan 8.150 nan 0.000 0.578 119 S N -1.083 114.732 115.700 0.192 0.000 2.502 119 S HA 0.367 4.794 4.470 -0.073 0.000 0.215 119 S C 1.520 176.310 174.600 0.316 0.000 1.009 119 S CA 0.695 59.036 58.200 0.236 0.000 0.908 119 S CB 0.440 63.709 63.200 0.115 0.000 0.801 119 S HN 1.681 nan 8.310 nan 0.000 0.505 120 G N 1.908 110.816 108.800 0.181 0.000 2.148 120 G HA2 -0.233 3.684 3.960 -0.073 0.000 0.254 120 G HA3 -0.233 3.684 3.960 -0.073 0.000 0.254 120 G C 0.214 175.103 174.900 -0.019 0.000 0.981 120 G CA 0.041 45.131 45.100 -0.016 0.000 0.670 120 G HN 0.887 nan 8.290 nan 0.000 0.528 121 A N 0.417 123.246 122.820 0.014 0.000 2.511 121 A HA 0.630 4.906 4.320 -0.073 0.000 0.242 121 A C 1.143 178.683 177.584 -0.073 0.000 1.069 121 A CA 0.976 53.003 52.037 -0.017 0.000 0.763 121 A CB 0.221 19.219 19.000 -0.004 0.000 1.001 121 A HN 1.999 nan 8.150 nan 0.000 0.498 122 S N 1.786 117.407 115.700 -0.132 0.000 2.614 122 S HA 0.174 4.600 4.470 -0.073 0.000 0.265 122 S C 0.745 175.239 174.600 -0.177 0.000 1.303 122 S CA 0.072 58.120 58.200 -0.253 0.000 1.000 122 S CB 0.681 63.539 63.200 -0.571 0.000 0.935 122 S HN 0.720 nan 8.310 nan 0.000 0.551 123 E N 1.478 121.573 120.200 -0.176 0.000 2.085 123 E HA -0.126 4.180 4.350 -0.073 0.000 0.194 123 E C 2.151 178.701 176.600 -0.084 0.000 0.994 123 E CA 1.229 57.568 56.400 -0.103 0.000 0.801 123 E CB -0.772 28.879 29.700 -0.082 0.000 0.743 123 E HN 0.897 nan 8.360 nan 0.000 0.453 124 G N 0.629 109.365 108.800 -0.106 0.000 2.421 124 G HA2 -0.275 3.641 3.960 -0.073 0.000 0.216 124 G HA3 -0.275 3.641 3.960 -0.073 0.000 0.216 124 G C 1.643 176.519 174.900 -0.039 0.000 1.171 124 G CA 1.326 46.393 45.100 -0.054 0.000 0.775 124 G HN 0.186 nan 8.290 nan 0.000 0.543 125 T N 1.430 115.951 114.554 -0.055 0.000 2.684 125 T HA -0.105 4.202 4.350 -0.073 0.000 0.267 125 T C 2.382 177.067 174.700 -0.025 0.000 1.036 125 T CA 1.192 63.275 62.100 -0.030 0.000 1.148 125 T CB -0.210 68.638 68.868 -0.032 0.000 0.863 125 T HN 0.249 nan 8.240 nan 0.000 0.436 126 I N 1.202 121.751 120.570 -0.035 0.000 2.286 126 I HA -0.190 3.936 4.170 -0.073 0.000 0.248 126 I C 2.850 178.954 176.117 -0.022 0.000 1.115 126 I CA 1.073 62.356 61.300 -0.027 0.000 1.392 126 I CB -0.435 37.547 38.000 -0.031 0.000 1.065 126 I HN 0.202 nan 8.210 nan 0.000 0.418 127 A N 0.631 123.437 122.820 -0.022 0.000 1.930 127 A HA -0.151 4.126 4.320 -0.073 0.000 0.217 127 A C 2.323 179.903 177.584 -0.007 0.000 1.175 127 A CA 1.127 53.155 52.037 -0.015 0.000 0.627 127 A CB -0.342 18.649 19.000 -0.015 0.000 0.815 127 A HN 0.231 nan 8.150 nan 0.000 0.443 128 R N -0.132 120.367 120.500 -0.002 0.000 2.096 128 R HA -0.020 4.276 4.340 -0.073 0.000 0.235 128 R C 1.973 178.280 176.300 0.012 0.000 1.127 128 R CA 1.123 57.230 56.100 0.012 0.000 0.968 128 R CB -0.957 29.355 30.300 0.020 0.000 0.861 128 R HN 0.597 nan 8.270 nan 0.000 0.440 129 L N 0.015 121.237 121.223 -0.001 0.000 2.072 129 L HA -0.060 4.236 4.340 -0.073 0.000 0.205 129 L C 2.436 179.297 176.870 -0.016 0.000 1.079 129 L CA 0.999 55.833 54.840 -0.009 0.000 0.752 129 L CB -0.409 41.639 42.059 -0.019 0.000 0.906 129 L HN 0.060 nan 8.230 nan 0.000 0.436 130 I N -0.040 120.520 120.570 -0.016 0.000 2.252 130 I HA -0.263 3.864 4.170 -0.073 0.000 0.245 130 I C 2.053 178.162 176.117 -0.014 0.000 1.102 130 I CA 1.119 62.408 61.300 -0.019 0.000 1.385 130 I CB -0.352 37.638 38.000 -0.017 0.000 1.064 130 I HN 0.242 nan 8.210 nan 0.000 0.414 131 D N 0.778 121.174 120.400 -0.007 0.000 2.144 131 D HA -0.171 4.426 4.640 -0.073 0.000 0.199 131 D C 2.118 178.418 176.300 -0.001 0.000 0.984 131 D CA 0.916 54.914 54.000 -0.004 0.000 0.834 131 D CB -0.278 40.521 40.800 -0.001 0.000 0.955 131 D HN 0.158 nan 8.370 nan 0.000 0.465 132 L N 0.667 121.895 121.223 0.008 0.000 2.017 132 L HA -0.107 4.189 4.340 -0.073 0.000 0.208 132 L C 2.038 178.898 176.870 -0.017 0.000 1.073 132 L CA 1.352 56.204 54.840 0.019 0.000 0.745 132 L CB -0.820 41.266 42.059 0.045 0.000 0.894 132 L HN 0.092 nan 8.230 nan 0.000 0.432 133 L N 0.122 121.321 121.223 -0.040 0.000 2.201 133 L HA -0.175 4.121 4.340 -0.073 0.000 0.212 133 L C 1.773 178.620 176.870 -0.039 0.000 1.105 133 L CA 0.749 55.546 54.840 -0.071 0.000 0.775 133 L CB -0.521 41.495 42.059 -0.073 0.000 0.913 133 L HN 0.363 nan 8.230 nan 0.000 0.440 134 N N -0.483 118.208 118.700 -0.014 0.000 2.398 134 N HA -0.005 4.691 4.740 -0.073 0.000 0.188 134 N C 0.819 176.343 175.510 0.024 0.000 1.122 134 N CA 0.282 53.335 53.050 0.004 0.000 0.866 134 N CB 0.225 38.712 38.487 0.000 0.000 0.970 134 N HN 0.320 nan 8.380 nan 0.000 0.462 135 S N -0.156 115.561 115.700 0.028 0.000 2.719 135 S HA 0.316 4.743 4.470 -0.073 0.000 0.285 135 S C 0.736 175.414 174.600 0.131 0.000 1.137 135 S CA -0.482 57.748 58.200 0.050 0.000 1.012 135 S CB 1.575 64.788 63.200 0.020 0.000 1.134 135 S HN -0.097 nan 8.310 nan 0.000 0.544 136 E N 0.085 120.384 120.200 0.166 0.000 2.444 136 E HA 0.353 4.659 4.350 -0.073 0.000 0.191 136 E C -0.146 176.757 176.600 0.505 0.000 1.041 136 E CA -0.003 56.587 56.400 0.316 0.000 0.883 136 E CB -0.179 29.605 29.700 0.140 0.000 1.024 136 E HN 0.505 nan 8.360 nan 0.000 0.470 137 L N -0.152 121.281 121.223 0.349 0.000 2.331 137 L HA 0.751 5.048 4.340 -0.073 0.000 0.268 137 L C -0.011 176.990 176.870 0.218 0.000 1.015 137 L CA -1.091 53.984 54.840 0.390 0.000 0.807 137 L CB 1.530 43.686 42.059 0.162 0.000 1.293 137 L HN -0.171 nan 8.230 nan 0.000 0.451 138 A N 0.948 123.918 122.820 0.250 0.000 2.515 138 A HA 0.805 5.081 4.320 -0.073 0.000 0.298 138 A C -2.810 174.859 177.584 0.141 0.000 1.059 138 A CA -1.397 50.633 52.037 -0.012 0.000 0.698 138 A CB 1.870 20.673 19.000 -0.328 0.000 1.289 138 A HN 0.367 nan 8.150 nan 0.000 0.404 139 P HA 0.384 nan 4.420 nan 0.000 0.275 139 P C -0.338 176.873 177.300 -0.148 0.000 1.228 139 P CA 0.075 63.029 63.100 -0.244 0.000 0.786 139 P CB 1.335 32.890 31.700 -0.242 0.000 0.927 140 A N 3.438 126.149 122.820 -0.183 0.000 2.316 140 A HA 0.494 4.770 4.320 -0.073 0.000 0.311 140 A C 0.236 177.747 177.584 -0.123 0.000 1.339 140 A CA -0.449 51.532 52.037 -0.092 0.000 0.960 140 A CB -0.466 18.498 19.000 -0.058 0.000 1.152 140 A HN 0.446 nan 8.150 nan 0.000 0.547 141 V N 1.160 121.007 119.914 -0.111 0.000 2.588 141 V HA 0.740 4.817 4.120 -0.073 0.000 0.304 141 V C -2.791 173.196 176.094 -0.178 0.000 1.042 141 V CA -2.606 59.603 62.300 -0.153 0.000 0.877 141 V CB 1.799 33.569 31.823 -0.088 0.000 0.996 141 V HN 0.656 nan 8.190 nan 0.000 0.425 142 P HA 0.100 nan 4.420 nan 0.000 0.267 142 P C 0.800 178.022 177.300 -0.130 0.000 1.200 142 P CA 0.430 63.393 63.100 -0.228 0.000 0.772 142 P CB 1.266 32.762 31.700 -0.340 0.000 0.855 143 S N 2.316 117.971 115.700 -0.074 0.000 2.496 143 S HA 0.051 4.477 4.470 -0.073 0.000 0.224 143 S C 0.807 175.393 174.600 -0.023 0.000 0.996 143 S CA 0.018 58.196 58.200 -0.037 0.000 0.927 143 S CB -0.056 63.134 63.200 -0.018 0.000 0.774 143 S HN 0.406 nan 8.310 nan 0.000 0.524 144 R N -0.421 120.062 120.500 -0.028 0.000 2.732 144 R HA 0.636 4.932 4.340 -0.073 0.000 0.278 144 R C 0.667 176.967 176.300 0.001 0.000 0.976 144 R CA -0.068 56.027 56.100 -0.009 0.000 0.963 144 R CB 1.648 31.944 30.300 -0.007 0.000 1.150 144 R HN 0.290 nan 8.270 nan 0.000 0.478 145 G N 0.205 109.014 108.800 0.014 0.000 2.551 145 G HA2 -0.211 3.705 3.960 -0.073 0.000 0.186 145 G HA3 -0.211 3.705 3.960 -0.073 0.000 0.186 145 G C 0.023 174.939 174.900 0.027 0.000 1.002 145 G CA -0.038 45.079 45.100 0.027 0.000 0.723 145 G HN 0.601 nan 8.290 nan 0.000 0.481 146 T N 0.543 115.111 114.554 0.023 0.000 2.902 146 T HA 0.542 4.848 4.350 -0.073 0.000 0.283 146 T C 1.367 176.083 174.700 0.026 0.000 1.009 146 T CA 0.424 62.536 62.100 0.020 0.000 1.051 146 T CB 1.679 70.557 68.868 0.016 0.000 0.999 146 T HN 1.159 nan 8.240 nan 0.000 0.474 147 V N 1.390 121.321 119.914 0.028 0.000 3.444 147 V HA 0.622 4.698 4.120 -0.073 0.000 0.308 147 V C 1.138 177.261 176.094 0.048 0.000 1.371 147 V CA 0.237 62.560 62.300 0.039 0.000 1.141 147 V CB -1.271 30.576 31.823 0.040 0.000 1.037 147 V HN 1.385 nan 8.190 nan 0.000 0.433 153 L N -0.345 120.846 121.223 -0.054 0.000 2.046 153 L HA -0.131 4.165 4.340 -0.073 0.000 0.208 153 L C 2.374 179.193 176.870 -0.084 0.000 1.077 153 L CA 1.390 56.177 54.840 -0.088 0.000 0.747 153 L CB -0.566 41.419 42.059 -0.123 0.000 0.896 153 L HN 0.099 nan 8.230 nan 0.000 0.432 154 T N 0.505 115.032 114.554 -0.045 0.000 2.643 154 T HA -0.082 4.224 4.350 -0.073 0.000 0.264 154 T C -0.442 174.312 174.700 0.089 0.000 1.045 154 T CA 1.722 63.821 62.100 -0.001 0.000 1.155 154 T CB -1.092 67.804 68.868 0.047 0.000 0.863 154 T HN 0.300 nan 8.240 nan 0.000 0.420 155 P HA 0.014 nan 4.420 nan 0.000 0.218 155 P C 1.514 178.840 177.300 0.043 0.000 1.149 155 P CA 0.979 64.125 63.100 0.076 0.000 0.817 155 P CB -0.217 31.493 31.700 0.016 0.000 0.785 156 L N -0.857 120.363 121.223 -0.006 0.000 2.217 156 L HA -0.031 4.266 4.340 -0.073 0.000 0.211 156 L C 2.720 179.553 176.870 -0.062 0.000 1.107 156 L CA 1.096 55.916 54.840 -0.034 0.000 0.783 156 L CB -0.888 41.145 42.059 -0.044 0.000 0.919 156 L HN -0.057 nan 8.230 nan 0.000 0.442 157 A N -0.984 121.777 122.820 -0.099 0.000 1.929 157 A HA -0.192 4.084 4.320 -0.073 0.000 0.216 157 A C 2.103 179.583 177.584 -0.174 0.000 1.176 157 A CA 1.079 53.009 52.037 -0.179 0.000 0.628 157 A CB -0.626 18.207 19.000 -0.279 0.000 0.816 157 A HN 0.379 nan 8.150 nan 0.000 0.444 158 H N -1.093 117.922 119.070 -0.092 0.000 2.423 158 H HA -0.085 4.428 4.556 -0.073 0.000 0.297 158 H C 2.064 177.323 175.328 -0.116 0.000 1.075 158 H CA 1.713 57.706 56.048 -0.091 0.000 1.342 158 H CB -0.227 29.485 29.762 -0.083 0.000 1.395 158 H HN 0.592 nan 8.280 nan 0.000 0.530 159 M N 0.548 120.150 119.600 0.003 0.000 2.117 159 M HA -0.146 4.290 4.480 -0.073 0.000 0.262 159 M C 2.080 178.333 176.300 -0.078 0.000 1.065 159 M CA 1.285 56.547 55.300 -0.064 0.000 1.114 159 M CB -0.115 32.452 32.600 -0.054 0.000 1.361 159 M HN -0.009 nan 8.290 nan 0.000 0.408 160 V N 1.371 121.244 119.914 -0.068 0.000 2.287 160 V HA -0.306 3.770 4.120 -0.073 0.000 0.248 160 V C 2.455 178.515 176.094 -0.057 0.000 1.053 160 V CA 1.824 64.086 62.300 -0.062 0.000 1.027 160 V CB -0.783 30.992 31.823 -0.080 0.000 0.646 160 V HN 0.545 nan 8.190 nan 0.000 0.447 161 L N -0.878 120.304 121.223 -0.068 0.000 2.046 161 L HA -0.229 4.067 4.340 -0.073 0.000 0.208 161 L C 2.665 179.500 176.870 -0.058 0.000 1.077 161 L CA 1.665 56.477 54.840 -0.045 0.000 0.747 161 L CB -0.781 41.254 42.059 -0.039 0.000 0.896 161 L HN 0.406 nan 8.230 nan 0.000 0.432 162 C N -0.069 119.148 119.300 -0.137 0.000 2.432 162 C HA -0.158 4.258 4.460 -0.073 0.000 0.277 162 C C 2.646 177.528 174.990 -0.180 0.000 1.249 162 C CA 0.453 59.275 59.018 -0.328 0.000 1.725 162 C CB -0.881 26.502 27.740 -0.595 0.000 2.028 162 C HN 0.441 nan 8.230 nan 0.000 0.477 163 L N 0.382 121.573 121.223 -0.054 0.000 2.456 163 L HA -0.154 4.142 4.340 -0.073 0.000 0.224 163 L C 2.364 179.308 176.870 0.124 0.000 1.148 163 L CA 1.191 56.105 54.840 0.123 0.000 0.825 163 L CB -0.656 41.443 42.059 0.066 0.000 0.937 163 L HN 0.543 nan 8.230 nan 0.000 0.450 164 Q N -0.417 119.426 119.800 0.072 0.000 2.319 164 Q HA 0.140 4.436 4.340 -0.073 0.000 0.202 164 Q C 1.339 177.394 176.000 0.093 0.000 0.896 164 Q CA 0.497 56.340 55.803 0.067 0.000 0.942 164 Q CB 0.744 29.502 28.738 0.034 0.000 1.083 164 Q HN 0.533 nan 8.270 nan 0.000 0.510 165 G N 1.785 110.671 108.800 0.142 0.000 2.132 165 G HA2 -0.298 3.619 3.960 -0.073 0.000 0.234 165 G HA3 -0.298 3.619 3.960 -0.073 0.000 0.234 165 G C 0.509 175.474 174.900 0.109 0.000 0.989 165 G CA 0.034 45.238 45.100 0.173 0.000 0.676 165 G HN 0.300 nan 8.290 nan 0.000 0.522 166 R N 0.036 120.573 120.500 0.063 0.000 2.507 166 R HA 0.472 4.768 4.340 -0.073 0.000 0.298 166 R C 0.986 177.297 176.300 0.018 0.000 0.999 166 R CA 0.488 56.613 56.100 0.042 0.000 1.082 166 R CB 0.868 31.191 30.300 0.039 0.000 1.246 166 R HN 0.530 nan 8.270 nan 0.000 0.553 167 G N -0.312 108.482 108.800 -0.010 0.000 2.704 167 G HA2 0.233 4.149 3.960 -0.073 0.000 0.293 167 G HA3 0.233 4.149 3.960 -0.073 0.000 0.293 167 G C -1.447 173.393 174.900 -0.101 0.000 1.421 167 G CA -0.667 44.399 45.100 -0.057 0.000 0.870 167 G HN -0.128 nan 8.290 nan 0.000 0.492 168 D N -0.544 119.810 120.400 -0.076 0.000 2.360 168 D HA 0.560 5.156 4.640 -0.073 0.000 0.242 168 D C -0.491 175.717 176.300 -0.154 0.000 1.184 168 D CA 0.607 54.598 54.000 -0.015 0.000 0.930 168 D CB 0.786 41.597 40.800 0.019 0.000 1.161 168 D HN 0.104 nan 8.370 nan 0.000 0.447 169 F N -0.754 119.221 119.950 0.041 0.000 2.611 169 F HA 0.525 5.008 4.527 -0.073 0.000 0.324 169 F C -0.272 175.575 175.800 0.079 0.000 1.061 169 F CA -0.883 57.150 58.000 0.056 0.000 0.954 169 F CB 1.247 40.281 39.000 0.057 0.000 1.301 169 F HN -0.059 nan 8.300 nan 0.000 0.482 170 L N 1.581 123.015 121.223 0.352 0.000 2.381 170 L HA 0.452 4.748 4.340 -0.073 0.000 0.268 170 L C -0.996 176.103 176.870 0.380 0.000 0.997 170 L CA -1.034 53.986 54.840 0.301 0.000 0.818 170 L CB 1.907 44.143 42.059 0.296 0.000 1.310 170 L HN 0.586 nan 8.230 nan 0.000 0.416 171 D N 1.186 121.701 120.400 0.193 0.000 2.437 171 D HA 0.227 4.823 4.640 -0.073 0.000 0.259 171 D C 0.766 176.882 176.300 -0.307 0.000 1.118 171 D CA -0.634 53.392 54.000 0.043 0.000 1.017 171 D CB 0.946 41.733 40.800 -0.022 0.000 1.120 171 D HN 0.351 nan 8.370 nan 0.000 0.541 172 R N -0.608 119.451 120.500 -0.735 0.000 2.170 172 R HA -0.115 4.181 4.340 -0.073 0.000 0.242 172 R C 0.587 176.556 176.300 -0.550 0.000 1.145 172 R CA 1.492 56.864 56.100 -1.213 0.000 0.984 172 R CB -0.137 29.567 30.300 -0.992 0.000 0.869 172 R HN 0.521 nan 8.270 nan 0.000 0.455 173 D N -1.217 119.009 120.400 -0.291 0.000 2.340 173 D HA 0.064 4.660 4.640 -0.073 0.000 0.220 173 D C 1.154 177.416 176.300 -0.063 0.000 1.039 173 D CA 0.898 54.811 54.000 -0.145 0.000 0.866 173 D CB 0.752 41.490 40.800 -0.103 0.000 0.913 173 D HN 0.443 nan 8.370 nan 0.000 0.523 174 G N 1.537 110.318 108.800 -0.033 0.000 2.176 174 G HA2 -0.285 3.631 3.960 -0.073 0.000 0.253 174 G HA3 -0.285 3.631 3.960 -0.073 0.000 0.253 174 G C 0.670 175.596 174.900 0.043 0.000 0.979 174 G CA 0.550 45.676 45.100 0.043 0.000 0.641 174 G HN 0.438 nan 8.290 nan 0.000 0.530 175 T N -0.503 114.064 114.554 0.022 0.000 2.870 175 T HA 0.574 4.880 4.350 -0.073 0.000 0.300 175 T C 0.524 175.259 174.700 0.058 0.000 0.989 175 T CA -0.210 61.906 62.100 0.028 0.000 1.139 175 T CB 1.169 70.043 68.868 0.010 0.000 0.920 175 T HN 0.517 nan 8.240 nan 0.000 0.537 176 R N 2.412 122.947 120.500 0.058 0.000 2.357 176 R HA 0.574 4.870 4.340 -0.073 0.000 0.296 176 R C -0.312 176.039 176.300 0.085 0.000 1.052 176 R CA -0.617 55.531 56.100 0.080 0.000 0.988 176 R CB 0.751 31.087 30.300 0.060 0.000 1.025 176 R HN 0.605 nan 8.270 nan 0.000 0.469 177 L N 2.053 123.353 121.223 0.128 0.000 2.342 177 L HA 0.348 4.644 4.340 -0.073 0.000 0.271 177 L C -0.131 176.836 176.870 0.162 0.000 1.008 177 L CA -1.306 53.609 54.840 0.125 0.000 0.818 177 L CB 1.768 43.902 42.059 0.126 0.000 1.296 177 L HN 0.656 nan 8.230 nan 0.000 0.427 178 D N 0.985 121.460 120.400 0.125 0.000 2.377 178 D HA 0.103 4.700 4.640 -0.073 0.000 0.245 178 D C 1.233 177.660 176.300 0.211 0.000 1.196 178 D CA -0.094 53.984 54.000 0.131 0.000 0.962 178 D CB 0.876 41.725 40.800 0.082 0.000 1.127 178 D HN 0.582 nan 8.370 nan 0.000 0.471 179 G N -0.041 108.882 108.800 0.204 0.000 2.529 179 G HA2 -0.288 3.628 3.960 -0.073 0.000 0.219 179 G HA3 -0.288 3.628 3.960 -0.073 0.000 0.219 179 G C 1.486 176.521 174.900 0.224 0.000 1.177 179 G CA 2.047 47.319 45.100 0.288 0.000 0.773 179 G HN 0.712 nan 8.290 nan 0.000 0.573 180 A N 0.704 123.596 122.820 0.121 0.000 1.865 180 A HA -0.082 4.194 4.320 -0.073 0.000 0.217 180 A C 2.229 179.829 177.584 0.026 0.000 1.191 180 A CA 2.380 54.456 52.037 0.064 0.000 0.623 180 A CB -0.577 18.451 19.000 0.046 0.000 0.826 180 A HN 0.414 nan 8.150 nan 0.000 0.444 181 E N 0.167 120.386 120.200 0.032 0.000 2.118 181 E HA -0.073 4.234 4.350 -0.073 0.000 0.195 181 E C 1.934 178.488 176.600 -0.075 0.000 0.992 181 E CA 1.654 58.052 56.400 -0.004 0.000 0.804 181 E CB -0.866 28.848 29.700 0.022 0.000 0.741 181 E HN 0.421 nan 8.360 nan 0.000 0.458 182 G N 0.600 109.335 108.800 -0.109 0.000 2.404 182 G HA2 -0.208 3.708 3.960 -0.073 0.000 0.215 182 G HA3 -0.208 3.708 3.960 -0.073 0.000 0.215 182 G C 1.627 176.156 174.900 -0.618 0.000 1.174 182 G CA 0.882 45.659 45.100 -0.538 0.000 0.780 182 G HN 0.318 nan 8.290 nan 0.000 0.537 183 L N -0.211 120.794 121.223 -0.362 0.000 2.083 183 L HA -0.041 4.255 4.340 -0.073 0.000 0.209 183 L C 2.935 179.717 176.870 -0.147 0.000 1.083 183 L CA 1.155 55.868 54.840 -0.213 0.000 0.752 183 L CB -0.417 41.614 42.059 -0.047 0.000 0.899 183 L HN 0.194 nan 8.230 nan 0.000 0.433 184 R N 0.630 121.064 120.500 -0.109 0.000 2.064 184 R HA -0.177 4.119 4.340 -0.073 0.000 0.228 184 R C 2.519 178.769 176.300 -0.082 0.000 1.144 184 R CA 1.602 57.659 56.100 -0.071 0.000 0.932 184 R CB -0.244 30.029 30.300 -0.044 0.000 0.833 184 R HN 0.164 nan 8.270 nan 0.000 0.429 185 R N -0.443 119.999 120.500 -0.095 0.000 2.105 185 R HA -0.108 4.188 4.340 -0.073 0.000 0.239 185 R C 1.851 178.097 176.300 -0.090 0.000 1.135 185 R CA 1.838 57.890 56.100 -0.080 0.000 0.967 185 R CB -0.464 29.792 30.300 -0.074 0.000 0.861 185 R HN 0.431 nan 8.270 nan 0.000 0.442 186 G N -0.469 108.243 108.800 -0.147 0.000 2.985 186 G HA2 -0.044 3.872 3.960 -0.073 0.000 0.209 186 G HA3 -0.044 3.872 3.960 -0.073 0.000 0.209 186 G C -0.177 174.668 174.900 -0.092 0.000 1.165 186 G CA -0.211 44.812 45.100 -0.128 0.000 0.776 186 G HN 0.344 nan 8.290 nan 0.000 0.541 187 R N -1.014 119.436 120.500 -0.084 0.000 3.264 187 R HA -0.138 4.158 4.340 -0.073 0.000 0.251 187 R C -0.687 175.582 176.300 -0.051 0.000 0.971 187 R CA 0.259 56.326 56.100 -0.054 0.000 0.658 187 R CB -2.226 28.053 30.300 -0.035 0.000 1.095 187 R HN 0.335 nan 8.270 nan 0.000 0.443 188 L N 0.472 121.654 121.223 -0.069 0.000 2.334 188 L HA 0.403 4.699 4.340 -0.073 0.000 0.273 188 L C 0.718 177.576 176.870 -0.019 0.000 1.013 188 L CA -1.079 53.734 54.840 -0.046 0.000 0.816 188 L CB 1.587 43.604 42.059 -0.069 0.000 1.278 188 L HN 0.030 nan 8.230 nan 0.000 0.431 189 Q N 2.837 122.639 119.800 0.002 0.000 2.235 189 Q HA 0.357 4.653 4.340 -0.073 0.000 0.250 189 Q C -2.287 173.733 176.000 0.033 0.000 0.909 189 Q CA -1.760 54.052 55.803 0.014 0.000 0.910 189 Q CB 1.595 30.341 28.738 0.013 0.000 1.223 189 Q HN 0.299 nan 8.270 nan 0.000 0.432 190 P HA 0.005 nan 4.420 nan 0.000 0.271 190 P C -0.253 177.075 177.300 0.047 0.000 1.216 190 P CA -0.526 62.606 63.100 0.054 0.000 0.771 190 P CB 0.575 32.304 31.700 0.048 0.000 0.864 191 L N 3.413 124.668 121.223 0.052 0.000 2.513 191 L HA 0.147 4.443 4.340 -0.073 0.000 0.272 191 L C 0.074 176.965 176.870 0.034 0.000 1.187 191 L CA 0.839 55.703 54.840 0.039 0.000 0.895 191 L CB -0.594 41.484 42.059 0.033 0.000 1.147 191 L HN 0.326 nan 8.230 nan 0.000 0.483 192 D N 5.202 125.626 120.400 0.039 0.000 2.425 192 D HA 0.200 4.796 4.640 -0.073 0.000 0.240 192 D C -0.046 176.293 176.300 0.065 0.000 1.080 192 D CA -0.287 53.742 54.000 0.047 0.000 0.836 192 D CB 0.999 41.835 40.800 0.059 0.000 1.125 192 D HN 0.667 nan 8.370 nan 0.000 0.525 193 L N 3.232 124.482 121.223 0.045 0.000 2.783 193 L HA 0.054 4.350 4.340 -0.073 0.000 0.236 193 L C 2.057 178.962 176.870 0.058 0.000 1.225 193 L CA -0.144 54.727 54.840 0.053 0.000 1.026 193 L CB -0.049 42.020 42.059 0.016 0.000 1.314 193 L HN 0.328 nan 8.230 nan 0.000 0.489 194 S N -2.114 113.618 115.700 0.053 0.000 2.442 194 S HA -0.212 4.215 4.470 -0.073 0.000 0.236 194 S C 1.435 175.987 174.600 -0.082 0.000 1.007 194 S CA 0.948 59.130 58.200 -0.029 0.000 0.965 194 S CB -0.452 62.698 63.200 -0.085 0.000 0.773 194 S HN 0.534 nan 8.310 nan 0.000 0.504 195 H N 1.474 120.538 119.070 -0.010 0.000 2.547 195 H HA 0.365 4.877 4.556 -0.073 0.000 0.266 195 H C 0.539 175.859 175.328 -0.013 0.000 0.988 195 H CA 0.339 56.377 56.048 -0.015 0.000 1.147 195 H CB -0.114 29.636 29.762 -0.020 0.000 1.365 195 H HN 0.353 nan 8.280 nan 0.000 0.589 196 R N 0.932 121.481 120.500 0.083 0.000 3.531 196 R HA -0.130 4.166 4.340 -0.073 0.000 0.280 196 R C -0.810 175.536 176.300 0.077 0.000 1.130 196 R CA 0.823 56.961 56.100 0.062 0.000 0.757 196 R CB -1.760 28.566 30.300 0.043 0.000 1.218 196 R HN 0.531 nan 8.270 nan 0.000 0.454 197 D N -1.139 119.309 120.400 0.080 0.000 2.615 197 D HA 0.237 4.834 4.640 -0.073 0.000 0.236 197 D C 1.210 177.546 176.300 0.061 0.000 1.233 197 D CA 0.296 54.339 54.000 0.072 0.000 0.829 197 D CB 0.359 41.187 40.800 0.047 0.000 1.024 197 D HN 0.283 nan 8.370 nan 0.000 0.490 198 A N 0.373 123.224 122.820 0.051 0.000 1.972 198 A HA -0.106 4.170 4.320 -0.073 0.000 0.219 198 A C 1.897 179.493 177.584 0.021 0.000 1.169 198 A CA 0.789 52.836 52.037 0.015 0.000 0.635 198 A CB -0.472 18.520 19.000 -0.013 0.000 0.810 198 A HN 0.279 nan 8.150 nan 0.000 0.446 199 L N -0.698 120.569 121.223 0.073 0.000 2.456 199 L HA -0.017 4.280 4.340 -0.073 0.000 0.224 199 L C 2.624 179.547 176.870 0.088 0.000 1.148 199 L CA 1.283 56.179 54.840 0.095 0.000 0.825 199 L CB -0.511 41.658 42.059 0.183 0.000 0.937 199 L HN 0.383 nan 8.230 nan 0.000 0.450 200 A N -1.344 121.526 122.820 0.083 0.000 2.123 200 A HA 0.081 4.357 4.320 -0.073 0.000 0.214 200 A C 2.101 179.704 177.584 0.031 0.000 1.152 200 A CA 0.861 52.941 52.037 0.071 0.000 0.728 200 A CB -0.220 18.823 19.000 0.072 0.000 0.814 200 A HN 0.391 nan 8.150 nan 0.000 0.464 201 L N -1.151 120.079 121.223 0.012 0.000 2.388 201 L HA 0.131 4.428 4.340 -0.073 0.000 0.209 201 L C 0.031 176.885 176.870 -0.027 0.000 1.061 201 L CA 0.257 55.090 54.840 -0.011 0.000 0.834 201 L CB 0.389 42.435 42.059 -0.022 0.000 1.029 201 L HN 0.046 nan 8.230 nan 0.000 0.473 202 V N 1.887 121.778 119.914 -0.038 0.000 2.218 202 V HA 0.380 4.456 4.120 -0.073 0.000 0.261 202 V C -0.472 175.600 176.094 -0.037 0.000 1.142 202 V CA -0.224 62.036 62.300 -0.066 0.000 0.965 202 V CB -0.234 31.512 31.823 -0.129 0.000 1.190 202 V HN 0.320 nan 8.190 nan 0.000 0.478 203 N N 1.732 120.424 118.700 -0.014 0.000 3.348 203 N HA 0.526 5.222 4.740 -0.073 0.000 0.233 203 N C 0.012 175.542 175.510 0.034 0.000 1.440 203 N CA 0.593 53.653 53.050 0.017 0.000 0.887 203 N CB 2.272 40.788 38.487 0.049 0.000 1.410 203 N HN 0.736 nan 8.380 nan 0.000 0.502 204 G N -0.001 108.850 108.800 0.086 0.000 2.645 204 G HA2 -0.243 3.673 3.960 -0.073 0.000 0.246 204 G HA3 -0.243 3.673 3.960 -0.073 0.000 0.246 204 G C 0.124 175.068 174.900 0.073 0.000 1.322 204 G CA 0.492 45.648 45.100 0.093 0.000 0.898 204 G HN 1.194 nan 8.290 nan 0.000 0.573 205 T N -3.180 111.404 114.554 0.050 0.000 3.268 205 T HA 0.601 4.908 4.350 -0.073 0.000 0.258 205 T C 1.664 176.370 174.700 0.010 0.000 0.966 205 T CA 0.853 62.974 62.100 0.036 0.000 0.952 205 T CB 0.501 69.389 68.868 0.034 0.000 1.132 205 T HN 0.782 nan 8.240 nan 0.000 0.536 206 S N 1.567 117.269 115.700 0.003 0.000 2.368 206 S HA -0.019 4.407 4.470 -0.073 0.000 0.225 206 S C 2.495 177.087 174.600 -0.013 0.000 1.030 206 S CA 1.135 59.328 58.200 -0.012 0.000 0.999 206 S CB -0.571 62.619 63.200 -0.017 0.000 0.844 206 S HN 0.828 nan 8.310 nan 0.000 0.459 207 A N 2.941 125.757 122.820 -0.006 0.000 1.845 207 A HA -0.133 4.143 4.320 -0.073 0.000 0.215 207 A C 2.304 179.891 177.584 0.004 0.000 1.195 207 A CA 1.930 53.964 52.037 -0.005 0.000 0.616 207 A CB -0.877 18.123 19.000 -0.001 0.000 0.832 207 A HN 0.658 nan 8.150 nan 0.000 0.443 208 M N -1.487 118.121 119.600 0.013 0.000 2.159 208 M HA -0.099 4.337 4.480 -0.073 0.000 0.263 208 M C 1.806 178.116 176.300 0.016 0.000 1.063 208 M CA 2.363 57.676 55.300 0.021 0.000 1.110 208 M CB -1.319 31.297 32.600 0.026 0.000 1.374 208 M HN 0.183 nan 8.290 nan 0.000 0.411 209 T N 1.114 115.668 114.554 0.000 0.000 2.777 209 T HA 0.008 4.315 4.350 -0.073 0.000 0.266 209 T C 1.957 176.655 174.700 -0.004 0.000 1.040 209 T CA 1.624 63.716 62.100 -0.014 0.000 1.141 209 T CB -0.725 68.126 68.868 -0.029 0.000 0.868 209 T HN 0.722 nan 8.240 nan 0.000 0.444 210 G N 1.287 110.083 108.800 -0.007 0.000 2.418 210 G HA2 -0.121 3.795 3.960 -0.073 0.000 0.217 210 G HA3 -0.121 3.795 3.960 -0.073 0.000 0.217 210 G C 1.524 176.435 174.900 0.019 0.000 1.158 210 G CA 0.471 45.566 45.100 -0.009 0.000 0.771 210 G HN 0.480 nan 8.290 nan 0.000 0.545 211 I N 1.454 122.041 120.570 0.028 0.000 2.179 211 I HA -0.180 3.946 4.170 -0.073 0.000 0.242 211 I C 3.281 179.449 176.117 0.085 0.000 1.088 211 I CA 1.087 62.418 61.300 0.052 0.000 1.357 211 I CB -0.200 37.829 38.000 0.048 0.000 1.051 211 I HN 0.237 nan 8.210 nan 0.000 0.409 212 A N 1.211 124.085 122.820 0.090 0.000 1.933 212 A HA -0.177 4.100 4.320 -0.073 0.000 0.218 212 A C 2.249 179.938 177.584 0.176 0.000 1.175 212 A CA 1.816 53.946 52.037 0.155 0.000 0.628 212 A CB -0.855 18.221 19.000 0.126 0.000 0.814 212 A HN 0.514 nan 8.150 nan 0.000 0.444 213 L N -1.743 119.547 121.223 0.111 0.000 2.201 213 L HA -0.009 4.287 4.340 -0.073 0.000 0.212 213 L C 1.936 178.913 176.870 0.180 0.000 1.105 213 L CA 1.667 56.580 54.840 0.122 0.000 0.775 213 L CB -1.051 41.045 42.059 0.063 0.000 0.913 213 L HN 0.013 nan 8.230 nan 0.000 0.440 214 V N 0.711 120.730 119.914 0.176 0.000 2.453 214 V HA -0.139 3.937 4.120 -0.073 0.000 0.247 214 V C 2.424 178.642 176.094 0.207 0.000 1.048 214 V CA 1.584 64.029 62.300 0.241 0.000 1.049 214 V CB -0.947 30.983 31.823 0.177 0.000 0.672 214 V HN 0.501 nan 8.190 nan 0.000 0.457 215 N N 0.944 119.739 118.700 0.158 0.000 2.120 215 N HA -0.115 4.581 4.740 -0.073 0.000 0.188 215 N C 1.917 177.483 175.510 0.092 0.000 1.024 215 N CA 1.663 54.783 53.050 0.117 0.000 0.852 215 N CB -0.500 38.037 38.487 0.083 0.000 1.003 215 N HN 0.477 nan 8.380 nan 0.000 0.424 216 A N 0.288 123.187 122.820 0.133 0.000 1.902 216 A HA -0.206 4.071 4.320 -0.073 0.000 0.217 216 A C 2.117 179.729 177.584 0.047 0.000 1.181 216 A CA 1.822 53.923 52.037 0.106 0.000 0.623 216 A CB -0.909 18.207 19.000 0.192 0.000 0.818 216 A HN 0.442 nan 8.150 nan 0.000 0.443 217 H N -0.197 118.847 119.070 -0.044 0.000 2.326 217 H HA 0.069 4.584 4.556 -0.069 0.000 0.301 217 H C 2.223 177.470 175.328 -0.136 0.000 1.081 217 H CA 1.930 57.862 56.048 -0.194 0.000 1.334 217 H CB -0.265 29.234 29.762 -0.438 0.000 1.385 217 H HN 0.387 nan 8.280 nan 0.000 0.504 218 A N -0.289 122.557 122.820 0.043 0.000 1.908 218 A HA -0.197 4.079 4.320 -0.073 0.000 0.218 218 A C 2.698 180.277 177.584 -0.008 0.000 1.181 218 A CA 1.569 53.636 52.037 0.051 0.000 0.627 218 A CB -1.243 17.824 19.000 0.112 0.000 0.818 218 A HN 0.654 nan 8.150 nan 0.000 0.445 219 C N -1.363 117.952 119.300 0.025 0.000 2.432 219 C HA -0.015 4.401 4.460 -0.073 0.000 0.280 219 C C 2.767 177.757 174.990 -0.001 0.000 1.353 219 C CA 1.086 60.164 59.018 0.100 0.000 1.766 219 C CB -1.369 26.462 27.740 0.151 0.000 1.924 219 C HN 0.735 nan 8.230 nan 0.000 0.509 220 R N -0.031 120.369 120.500 -0.167 0.000 2.066 220 R HA -0.124 4.172 4.340 -0.073 0.000 0.232 220 R C 2.265 178.387 176.300 -0.297 0.000 1.131 220 R CA 1.530 57.455 56.100 -0.292 0.000 0.955 220 R CB -0.420 29.604 30.300 -0.461 0.000 0.851 220 R HN 0.586 nan 8.270 nan 0.000 0.432 221 H N 0.560 119.502 119.070 -0.213 0.000 2.326 221 H HA -0.086 4.425 4.556 -0.075 0.000 0.301 221 H C 2.172 177.487 175.328 -0.021 0.000 1.081 221 H CA 1.643 57.611 56.048 -0.133 0.000 1.334 221 H CB -0.209 29.472 29.762 -0.134 0.000 1.385 221 H HN 0.244 nan 8.280 nan 0.000 0.504 222 L N -0.215 120.986 121.223 -0.036 0.000 2.131 222 L HA -0.088 4.208 4.340 -0.073 0.000 0.210 222 L C 2.734 179.454 176.870 -0.251 0.000 1.092 222 L CA 1.050 55.680 54.840 -0.350 0.000 0.759 222 L CB -0.744 40.732 42.059 -0.973 0.000 0.903 222 L HN 0.300 nan 8.230 nan 0.000 0.435 223 G N -0.141 108.663 108.800 0.007 0.000 2.408 223 G HA2 -0.243 3.673 3.960 -0.073 0.000 0.217 223 G HA3 -0.243 3.673 3.960 -0.073 0.000 0.217 223 G C 1.399 176.407 174.900 0.181 0.000 1.150 223 G CA 0.464 45.753 45.100 0.315 0.000 0.776 223 G HN 0.314 nan 8.290 nan 0.000 0.542 224 N N 0.089 118.784 118.700 -0.008 0.000 2.188 224 N HA -0.088 4.609 4.740 -0.073 0.000 0.184 224 N C 1.848 177.268 175.510 -0.150 0.000 1.018 224 N CA 0.854 53.836 53.050 -0.115 0.000 0.858 224 N CB -0.306 38.052 38.487 -0.216 0.000 0.989 224 N HN 0.571 nan 8.380 nan 0.000 0.426 225 W N 1.608 122.863 121.300 -0.075 0.000 2.418 225 W HA 0.074 4.682 4.660 -0.086 0.000 0.292 225 W C 2.521 179.013 176.519 -0.044 0.000 1.213 225 W CA 1.091 58.385 57.345 -0.085 0.000 1.283 225 W CB -0.422 28.940 29.460 -0.164 0.000 1.119 225 W HN 0.023 nan 8.180 nan 0.000 0.542 226 A N -0.162 122.776 122.820 0.197 0.000 1.908 226 A HA -0.177 4.100 4.320 -0.073 0.000 0.218 226 A C 2.000 179.665 177.584 0.136 0.000 1.181 226 A CA 2.135 54.300 52.037 0.212 0.000 0.627 226 A CB -1.093 18.122 19.000 0.359 0.000 0.818 226 A HN 0.099 nan 8.150 nan 0.000 0.445 227 V N -0.364 119.618 119.914 0.113 0.000 2.307 227 V HA -0.197 3.879 4.120 -0.073 0.000 0.245 227 V C 3.066 179.143 176.094 -0.029 0.000 1.045 227 V CA 1.876 64.188 62.300 0.021 0.000 1.024 227 V CB -1.143 30.704 31.823 0.040 0.000 0.651 227 V HN 0.613 nan 8.190 nan 0.000 0.449 228 A N -0.298 122.497 122.820 -0.042 0.000 1.902 228 A HA -0.147 4.129 4.320 -0.073 0.000 0.217 228 A C 2.177 179.776 177.584 0.025 0.000 1.181 228 A CA 1.744 53.744 52.037 -0.061 0.000 0.623 228 A CB -0.516 18.365 19.000 -0.199 0.000 0.818 228 A HN 0.514 nan 8.150 nan 0.000 0.443 229 L N -1.006 120.270 121.223 0.088 0.000 2.156 229 L HA -0.100 4.196 4.340 -0.073 0.000 0.208 229 L C 2.641 179.571 176.870 0.100 0.000 1.095 229 L CA 1.474 56.385 54.840 0.117 0.000 0.770 229 L CB -0.799 41.351 42.059 0.152 0.000 0.914 229 L HN 0.317 nan 8.230 nan 0.000 0.439 230 T N 0.070 114.674 114.554 0.083 0.000 2.777 230 T HA -0.112 4.194 4.350 -0.073 0.000 0.266 230 T C 2.054 176.859 174.700 0.176 0.000 1.040 230 T CA 1.282 63.442 62.100 0.101 0.000 1.141 230 T CB -0.097 68.779 68.868 0.014 0.000 0.868 230 T HN 0.428 nan 8.240 nan 0.000 0.444 231 A N 1.293 124.180 122.820 0.113 0.000 1.873 231 A HA 0.016 4.293 4.320 -0.073 0.000 0.215 231 A C 2.202 179.903 177.584 0.195 0.000 1.186 231 A CA 1.119 53.284 52.037 0.214 0.000 0.616 231 A CB -0.796 18.263 19.000 0.098 0.000 0.823 231 A HN 0.388 nan 8.150 nan 0.000 0.442 232 L N -0.676 120.620 121.223 0.121 0.000 2.083 232 L HA -0.093 4.203 4.340 -0.073 0.000 0.209 232 L C 2.211 179.139 176.870 0.096 0.000 1.083 232 L CA 1.818 56.715 54.840 0.095 0.000 0.752 232 L CB -0.687 41.417 42.059 0.076 0.000 0.899 232 L HN 0.384 nan 8.230 nan 0.000 0.433 233 L N -0.236 121.054 121.223 0.111 0.000 2.083 233 L HA -0.096 4.200 4.340 -0.073 0.000 0.209 233 L C 2.436 179.366 176.870 0.100 0.000 1.083 233 L CA 2.017 56.915 54.840 0.097 0.000 0.752 233 L CB -0.940 41.185 42.059 0.110 0.000 0.899 233 L HN 0.255 nan 8.230 nan 0.000 0.433 234 A N -0.965 121.947 122.820 0.153 0.000 1.969 234 A HA -0.166 4.111 4.320 -0.073 0.000 0.218 234 A C 2.120 179.729 177.584 0.043 0.000 1.169 234 A CA 1.576 53.668 52.037 0.091 0.000 0.635 234 A CB -0.521 18.545 19.000 0.111 0.000 0.810 234 A HN 0.629 nan 8.150 nan 0.000 0.445 235 E N -1.144 119.096 120.200 0.068 0.000 2.285 235 E HA -0.090 4.216 4.350 -0.073 0.000 0.194 235 E C 1.496 178.114 176.600 0.030 0.000 0.997 235 E CA 0.806 57.233 56.400 0.044 0.000 0.845 235 E CB -0.188 29.544 29.700 0.054 0.000 0.782 235 E HN 0.659 nan 8.360 nan 0.000 0.491 236 C N 0.065 119.385 119.300 0.033 0.000 2.634 236 C HA 0.173 4.589 4.460 -0.073 0.000 0.268 236 C C 1.717 176.714 174.990 0.012 0.000 1.322 236 C CA 0.064 59.095 59.018 0.021 0.000 1.737 236 C CB -0.225 27.528 27.740 0.021 0.000 1.976 236 C HN 0.321 nan 8.230 nan 0.000 0.547 237 L N -0.363 120.867 121.223 0.011 0.000 3.122 237 L HA 0.290 4.586 4.340 -0.073 0.000 0.274 237 L C 0.406 177.269 176.870 -0.011 0.000 1.222 237 L CA -0.062 54.778 54.840 0.001 0.000 1.028 237 L CB -0.210 41.853 42.059 0.006 0.000 1.386 237 L HN 0.185 nan 8.230 nan 0.000 0.578 238 R N 0.586 121.078 120.500 -0.013 0.000 3.422 238 R HA -0.143 4.154 4.340 -0.073 0.000 0.267 238 R C 0.685 176.952 176.300 -0.054 0.000 1.074 238 R CA 0.438 56.522 56.100 -0.026 0.000 0.718 238 R CB -1.996 28.292 30.300 -0.020 0.000 1.157 238 R HN 0.490 nan 8.270 nan 0.000 0.440 239 G N 0.727 109.481 108.800 -0.076 0.000 2.554 239 G HA2 0.173 4.089 3.960 -0.073 0.000 0.238 239 G HA3 0.173 4.089 3.960 -0.073 0.000 0.238 239 G C 0.103 174.864 174.900 -0.231 0.000 1.259 239 G CA -0.497 44.511 45.100 -0.152 0.000 0.843 239 G HN 0.224 nan 8.290 nan 0.000 0.582 240 R N 0.263 120.597 120.500 -0.278 0.000 2.308 240 R HA 0.273 4.569 4.340 -0.073 0.000 0.305 240 R C 1.459 177.456 176.300 -0.505 0.000 1.053 240 R CA 0.188 56.121 56.100 -0.278 0.000 0.957 240 R CB 0.963 31.155 30.300 -0.181 0.000 1.022 240 R HN 0.682 nan 8.270 nan 0.000 0.461 241 T N -1.630 112.688 114.554 -0.394 0.000 3.081 241 T HA -0.080 4.226 4.350 -0.073 0.000 0.255 241 T C 1.346 175.908 174.700 -0.230 0.000 1.113 241 T CA 0.463 62.309 62.100 -0.424 0.000 1.082 241 T CB 0.008 68.771 68.868 -0.174 0.000 0.939 241 T HN 0.749 nan 8.240 nan 0.000 0.506 242 E N 1.729 121.830 120.200 -0.166 0.000 2.268 242 E HA 0.013 4.319 4.350 -0.073 0.000 0.195 242 E C 2.168 178.743 176.600 -0.043 0.000 0.995 242 E CA 0.866 57.224 56.400 -0.070 0.000 0.836 242 E CB -0.501 29.170 29.700 -0.047 0.000 0.763 242 E HN 0.593 nan 8.360 nan 0.000 0.491 243 A N 0.776 123.524 122.820 -0.120 0.000 2.119 243 A HA -0.071 4.206 4.320 -0.073 0.000 0.217 243 A C 1.007 178.730 177.584 0.232 0.000 1.153 243 A CA 0.578 52.612 52.037 -0.005 0.000 0.692 243 A CB -0.582 18.381 19.000 -0.061 0.000 0.799 243 A HN 0.482 nan 8.150 nan 0.000 0.458 244 W N -0.268 121.033 121.300 0.003 0.000 3.239 244 W HA 0.597 5.228 4.660 -0.047 0.000 0.368 244 W C 0.880 177.402 176.519 0.005 0.000 1.154 244 W CA -1.055 56.292 57.345 0.005 0.000 1.860 244 W CB -1.339 28.126 29.460 0.009 0.000 1.094 244 W HN 0.339 nan 8.180 nan 0.000 0.643 245 A N 0.866 123.798 122.820 0.188 0.000 2.483 245 A HA 0.420 4.697 4.320 -0.073 0.000 0.238 245 A C 1.691 179.329 177.584 0.090 0.000 1.070 245 A CA 0.704 52.807 52.037 0.110 0.000 0.770 245 A CB 0.544 19.581 19.000 0.062 0.000 1.008 245 A HN 0.241 nan 8.150 nan 0.000 0.497 246 A N 2.028 124.888 122.820 0.066 0.000 1.972 246 A HA 0.158 4.434 4.320 -0.073 0.000 0.219 246 A C 2.352 179.958 177.584 0.036 0.000 1.169 246 A CA 2.146 54.212 52.037 0.048 0.000 0.635 246 A CB -0.984 18.037 19.000 0.036 0.000 0.810 246 A HN 1.758 nan 8.150 nan 0.000 0.446 247 A N -0.130 122.709 122.820 0.032 0.000 1.940 247 A HA -0.112 4.164 4.320 -0.073 0.000 0.219 247 A C 2.138 179.735 177.584 0.022 0.000 1.176 247 A CA 1.589 53.639 52.037 0.022 0.000 0.631 247 A CB -0.564 18.447 19.000 0.018 0.000 0.814 247 A HN 0.497 nan 8.150 nan 0.000 0.446 248 L N -0.698 120.545 121.223 0.033 0.000 2.093 248 L HA -0.132 4.164 4.340 -0.073 0.000 0.208 248 L C 2.817 179.704 176.870 0.028 0.000 1.085 248 L CA 1.350 56.209 54.840 0.032 0.000 0.755 248 L CB -0.389 41.699 42.059 0.048 0.000 0.904 248 L HN 0.335 nan 8.230 nan 0.000 0.435 249 S N -0.378 115.343 115.700 0.034 0.000 2.382 249 S HA -0.174 4.252 4.470 -0.073 0.000 0.228 249 S C 1.488 176.094 174.600 0.010 0.000 1.027 249 S CA 1.230 59.447 58.200 0.029 0.000 0.991 249 S CB -0.248 62.973 63.200 0.034 0.000 0.823 249 S HN 0.440 nan 8.310 nan 0.000 0.469 250 D N 1.377 121.782 120.400 0.007 0.000 2.178 250 D HA -0.003 4.593 4.640 -0.073 0.000 0.202 250 D C 1.710 178.000 176.300 -0.016 0.000 0.974 250 D CA 0.685 54.682 54.000 -0.005 0.000 0.841 250 D CB -0.204 40.596 40.800 -0.000 0.000 0.953 250 D HN 0.336 nan 8.370 nan 0.000 0.478 251 L N -0.499 120.717 121.223 -0.012 0.000 2.313 251 L HA 0.031 4.327 4.340 -0.073 0.000 0.214 251 L C 1.523 178.371 176.870 -0.036 0.000 1.119 251 L CA 0.488 55.316 54.840 -0.019 0.000 0.809 251 L CB 0.195 42.249 42.059 -0.008 0.000 0.933 251 L HN -0.192 nan 8.230 nan 0.000 0.449 252 R N 0.813 121.289 120.500 -0.040 0.000 2.639 252 R HA 0.192 4.489 4.340 -0.073 0.000 0.273 252 R C -2.231 174.004 176.300 -0.109 0.000 1.732 252 R CA -1.370 54.683 56.100 -0.079 0.000 1.586 252 R CB 0.945 31.239 30.300 -0.010 0.000 1.263 252 R HN -0.157 nan 8.270 nan 0.000 0.615 253 P HA -0.074 nan 4.420 nan 0.000 0.290 253 P C -0.682 176.543 177.300 -0.125 0.000 1.584 253 P CA 0.206 63.239 63.100 -0.112 0.000 0.813 253 P CB -0.328 31.317 31.700 -0.091 0.000 1.775 254 H N 0.933 120.005 119.070 0.003 0.000 2.819 254 H HA 0.100 4.613 4.556 -0.072 0.000 0.303 254 H C -1.317 174.024 175.328 0.022 0.000 1.058 254 H CA -1.565 54.487 56.048 0.008 0.000 1.471 254 H CB 0.578 30.340 29.762 0.000 0.000 1.480 254 H HN 0.091 nan 8.280 nan 0.000 0.517 255 P HA -0.176 nan 4.420 nan 0.000 0.216 255 P C 1.664 179.039 177.300 0.124 0.000 1.157 255 P CA 1.758 64.920 63.100 0.104 0.000 0.880 255 P CB 0.113 31.868 31.700 0.091 0.000 0.791 256 G N -0.456 108.437 108.800 0.154 0.000 2.440 256 G HA2 -0.321 3.595 3.960 -0.073 0.000 0.218 256 G HA3 -0.321 3.595 3.960 -0.073 0.000 0.218 256 G C 1.691 176.696 174.900 0.176 0.000 1.154 256 G CA 0.823 46.047 45.100 0.206 0.000 0.767 256 G HN 0.327 nan 8.290 nan 0.000 0.552 257 Q N 0.061 119.929 119.800 0.113 0.000 2.079 257 Q HA -0.077 4.220 4.340 -0.073 0.000 0.200 257 Q C 2.485 178.522 176.000 0.063 0.000 0.974 257 Q CA 1.557 57.398 55.803 0.064 0.000 0.840 257 Q CB -0.190 28.598 28.738 0.083 0.000 0.898 257 Q HN 0.524 nan 8.270 nan 0.000 0.430 258 K N 0.174 120.619 120.400 0.075 0.000 2.063 258 K HA -0.232 4.045 4.320 -0.073 0.000 0.208 258 K C 1.656 178.287 176.600 0.051 0.000 1.048 258 K CA 1.898 58.217 56.287 0.053 0.000 0.928 258 K CB -0.157 32.370 32.500 0.046 0.000 0.713 258 K HN 0.186 nan 8.250 nan 0.000 0.442 259 D N -0.179 120.267 120.400 0.076 0.000 2.097 259 D HA -0.099 4.498 4.640 -0.073 0.000 0.197 259 D C 1.712 178.069 176.300 0.095 0.000 0.984 259 D CA 1.494 55.538 54.000 0.073 0.000 0.826 259 D CB -0.066 40.783 40.800 0.081 0.000 0.973 259 D HN 0.327 nan 8.370 nan 0.000 0.460 260 A N 0.578 123.494 122.820 0.160 0.000 1.883 260 A HA -0.015 4.261 4.320 -0.073 0.000 0.217 260 A C 2.393 179.937 177.584 -0.067 0.000 1.186 260 A CA 2.426 54.532 52.037 0.115 0.000 0.624 260 A CB -1.189 17.804 19.000 -0.011 0.000 0.822 260 A HN 0.324 nan 8.150 nan 0.000 0.444 261 A N -0.279 122.500 122.820 -0.069 0.000 1.902 261 A HA 0.158 4.434 4.320 -0.073 0.000 0.217 261 A C 2.501 180.058 177.584 -0.045 0.000 1.181 261 A CA 2.146 54.126 52.037 -0.094 0.000 0.623 261 A CB -0.989 18.012 19.000 0.002 0.000 0.818 261 A HN 1.074 nan 8.150 nan 0.000 0.443 262 A N -0.220 122.595 122.820 -0.008 0.000 1.898 262 A HA -0.139 4.137 4.320 -0.073 0.000 0.216 262 A C 2.232 179.807 177.584 -0.016 0.000 1.181 262 A CA 1.547 53.586 52.037 0.004 0.000 0.620 262 A CB -0.412 18.593 19.000 0.008 0.000 0.819 262 A HN 0.542 nan 8.150 nan 0.000 0.442 263 R N -0.625 119.855 120.500 -0.034 0.000 2.115 263 R HA 0.069 4.365 4.340 -0.073 0.000 0.230 263 R C 1.982 178.231 176.300 -0.086 0.000 1.111 263 R CA 1.108 57.179 56.100 -0.050 0.000 0.976 263 R CB -0.401 29.877 30.300 -0.036 0.000 0.870 263 R HN 0.490 nan 8.270 nan 0.000 0.445 264 L N 0.157 121.276 121.223 -0.174 0.000 2.056 264 L HA -0.142 4.154 4.340 -0.073 0.000 0.207 264 L C 2.501 179.346 176.870 -0.042 0.000 1.078 264 L CA 1.373 56.023 54.840 -0.317 0.000 0.749 264 L CB -0.304 41.200 42.059 -0.925 0.000 0.901 264 L HN 0.138 nan 8.230 nan 0.000 0.433 265 R N -0.128 120.407 120.500 0.059 0.000 2.096 265 R HA -0.147 4.150 4.340 -0.073 0.000 0.235 265 R C 2.375 178.732 176.300 0.095 0.000 1.127 265 R CA 1.340 57.539 56.100 0.164 0.000 0.968 265 R CB -0.504 29.876 30.300 0.133 0.000 0.861 265 R HN 0.356 nan 8.270 nan 0.000 0.440 266 A N 1.287 124.131 122.820 0.039 0.000 1.930 266 A HA -0.130 4.146 4.320 -0.073 0.000 0.217 266 A C 2.033 179.628 177.584 0.020 0.000 1.175 266 A CA 1.012 53.060 52.037 0.020 0.000 0.627 266 A CB -0.227 18.770 19.000 -0.006 0.000 0.815 266 A HN 0.098 nan 8.150 nan 0.000 0.443 267 R N -0.155 120.354 120.500 0.015 0.000 2.096 267 R HA -0.108 4.188 4.340 -0.073 0.000 0.235 267 R C 1.891 178.225 176.300 0.056 0.000 1.127 267 R CA 1.735 57.844 56.100 0.015 0.000 0.968 267 R CB -1.297 29.000 30.300 -0.004 0.000 0.861 267 R HN 0.667 nan 8.270 nan 0.000 0.440 268 V N -0.791 119.187 119.914 0.107 0.000 3.633 268 V HA 0.107 4.184 4.120 -0.073 0.000 0.283 268 V C 0.213 176.353 176.094 0.077 0.000 1.305 268 V CA -0.580 61.790 62.300 0.117 0.000 1.153 268 V CB -0.581 31.358 31.823 0.193 0.000 0.950 268 V HN -0.078 nan 8.190 nan 0.000 0.432 269 D N 1.338 121.774 120.400 0.059 0.000 2.458 269 D HA 0.409 5.006 4.640 -0.073 0.000 0.243 269 D C 1.481 177.797 176.300 0.028 0.000 1.146 269 D CA 1.927 55.951 54.000 0.039 0.000 0.877 269 D CB 0.612 41.429 40.800 0.028 0.000 1.176 269 D HN 0.554 nan 8.370 nan 0.000 0.461 270 G N 2.338 111.151 108.800 0.020 0.000 2.199 270 G HA2 -0.280 3.637 3.960 -0.073 0.000 0.254 270 G HA3 -0.280 3.637 3.960 -0.073 0.000 0.254 270 G C 0.479 175.389 174.900 0.017 0.000 0.982 270 G CA 0.405 45.514 45.100 0.015 0.000 0.632 270 G HN 0.797 nan 8.290 nan 0.000 0.529 271 S N 0.143 115.857 115.700 0.024 0.000 2.565 271 S HA 0.660 5.087 4.470 -0.073 0.000 0.276 271 S C 1.188 175.797 174.600 0.015 0.000 1.326 271 S CA 0.804 59.019 58.200 0.024 0.000 1.045 271 S CB 1.314 64.536 63.200 0.036 0.000 0.918 271 S HN 1.621 nan 8.310 nan 0.000 0.505 272 A N 5.169 127.998 122.820 0.015 0.000 2.508 272 A HA 0.352 4.629 4.320 -0.073 0.000 0.257 272 A C 1.611 179.204 177.584 0.014 0.000 1.226 272 A CA -0.370 51.675 52.037 0.013 0.000 0.947 272 A CB 0.114 19.122 19.000 0.013 0.000 1.079 272 A HN 0.711 nan 8.150 nan 0.000 0.531 273 R N -0.118 120.391 120.500 0.014 0.000 2.290 273 R HA 0.125 4.421 4.340 -0.073 0.000 0.197 273 R C 0.621 176.923 176.300 0.004 0.000 0.913 273 R CA 0.808 56.915 56.100 0.012 0.000 1.040 273 R CB -0.181 30.129 30.300 0.017 0.000 0.992 273 R HN 0.491 nan 8.270 nan 0.000 0.500 274 V N -1.601 118.311 119.914 -0.003 0.000 2.834 274 V HA 0.503 4.580 4.120 -0.073 0.000 0.313 274 V C 0.412 176.491 176.094 -0.025 0.000 1.060 274 V CA -0.983 61.298 62.300 -0.032 0.000 0.989 274 V CB 2.192 33.985 31.823 -0.051 0.000 1.041 274 V HN -0.267 nan 8.190 nan 0.000 0.459 275 V N 4.198 124.087 119.914 -0.043 0.000 2.383 275 V HA 0.450 4.526 4.120 -0.073 0.000 0.275 275 V C 1.024 177.102 176.094 -0.026 0.000 1.036 275 V CA -0.234 62.073 62.300 0.010 0.000 0.889 275 V CB 0.716 32.544 31.823 0.009 0.000 0.985 275 V HN 0.955 nan 8.190 nan 0.000 0.459 276 R N 1.561 122.044 120.500 -0.029 0.000 2.365 276 R HA 0.198 4.494 4.340 -0.073 0.000 0.223 276 R C -0.152 176.068 176.300 -0.132 0.000 0.899 276 R CA -0.229 55.805 56.100 -0.110 0.000 1.059 276 R CB 0.202 30.412 30.300 -0.150 0.000 1.086 276 R HN 0.737 nan 8.270 nan 0.000 0.522 277 H N 0.272 119.317 119.070 -0.041 0.000 2.886 277 H HA 0.058 4.569 4.556 -0.074 0.000 0.329 277 H C -0.171 175.136 175.328 -0.036 0.000 1.044 277 H CA -0.003 56.025 56.048 -0.032 0.000 1.456 277 H CB 0.798 30.543 29.762 -0.028 0.000 1.464 277 H HN -0.201 nan 8.280 nan 0.000 0.573 278 V N 6.190 126.144 119.914 0.067 0.000 2.427 278 V HA -0.051 4.025 4.120 -0.073 0.000 0.268 278 V C 1.887 178.006 176.094 0.042 0.000 1.046 278 V CA 0.077 62.396 62.300 0.032 0.000 0.970 278 V CB -0.213 31.619 31.823 0.014 0.000 1.001 278 V HN 0.831 nan 8.190 nan 0.000 0.476 279 I N 3.332 123.917 120.570 0.025 0.000 2.335 279 I HA -0.155 3.971 4.170 -0.073 0.000 0.251 279 I C 2.072 178.196 176.117 0.011 0.000 1.129 279 I CA 2.016 63.325 61.300 0.015 0.000 1.402 279 I CB -0.231 37.770 38.000 0.002 0.000 1.069 279 I HN 0.560 nan 8.210 nan 0.000 0.424 280 A N 0.905 123.731 122.820 0.011 0.000 2.172 280 A HA -0.079 4.197 4.320 -0.073 0.000 0.216 280 A C 2.145 179.735 177.584 0.011 0.000 1.154 280 A CA 1.017 53.059 52.037 0.008 0.000 0.701 280 A CB -0.495 18.509 19.000 0.007 0.000 0.789 280 A HN 0.526 nan 8.150 nan 0.000 0.465 281 E N 0.078 120.289 120.200 0.017 0.000 2.152 281 E HA -0.111 4.195 4.350 -0.073 0.000 0.192 281 E C 1.175 177.785 176.600 0.016 0.000 0.983 281 E CA 0.229 56.641 56.400 0.020 0.000 0.818 281 E CB -0.208 29.512 29.700 0.034 0.000 0.758 281 E HN 0.640 nan 8.360 nan 0.000 0.467 282 R N 1.654 122.162 120.500 0.013 0.000 2.442 282 R HA 0.075 4.371 4.340 -0.073 0.000 0.291 282 R C -0.318 175.982 176.300 0.000 0.000 1.069 282 R CA 0.009 56.111 56.100 0.003 0.000 1.022 282 R CB 0.484 30.779 30.300 -0.007 0.000 0.976 282 R HN -0.133 nan 8.270 nan 0.000 0.443 283 R N 5.226 125.726 120.500 -0.001 0.000 2.294 283 R HA 0.304 4.601 4.340 -0.073 0.000 0.319 283 R C -0.506 175.792 176.300 -0.005 0.000 0.984 283 R CA -0.657 55.442 56.100 -0.002 0.000 0.861 283 R CB 1.243 31.543 30.300 -0.001 0.000 1.104 283 R HN 0.489 nan 8.270 nan 0.000 0.451 284 L N 3.212 124.432 121.223 -0.005 0.000 2.357 284 L HA 0.298 4.594 4.340 -0.073 0.000 0.273 284 L C 0.687 177.554 176.870 -0.005 0.000 1.080 284 L CA -0.443 54.393 54.840 -0.006 0.000 0.803 284 L CB 0.748 42.803 42.059 -0.006 0.000 1.174 284 L HN 0.696 nan 8.230 nan 0.000 0.443 285 D N 1.581 121.977 120.400 -0.006 0.000 2.650 285 D HA 0.329 4.925 4.640 -0.073 0.000 0.255 285 D C 0.599 176.896 176.300 -0.005 0.000 1.135 285 D CA -0.410 53.586 54.000 -0.005 0.000 1.099 285 D CB 1.677 42.474 40.800 -0.006 0.000 1.273 285 D HN 0.445 nan 8.370 nan 0.000 0.628 286 A N -0.235 122.582 122.820 -0.005 0.000 1.930 286 A HA 0.051 4.327 4.320 -0.073 0.000 0.217 286 A C 2.012 179.593 177.584 -0.005 0.000 1.175 286 A CA 1.877 53.912 52.037 -0.005 0.000 0.627 286 A CB -1.323 17.674 19.000 -0.004 0.000 0.815 286 A HN 0.682 nan 8.150 nan 0.000 0.443 287 G N -1.104 107.693 108.800 -0.006 0.000 2.776 287 G HA2 -0.025 3.891 3.960 -0.073 0.000 0.209 287 G HA3 -0.025 3.891 3.960 -0.073 0.000 0.209 287 G C 0.822 175.717 174.900 -0.008 0.000 1.145 287 G CA 0.840 45.936 45.100 -0.007 0.000 0.791 287 G HN 0.452 nan 8.290 nan 0.000 0.530 288 D N 0.324 120.719 120.400 -0.009 0.000 2.240 288 D HA 0.016 4.612 4.640 -0.073 0.000 0.206 288 D C 1.179 177.474 176.300 -0.009 0.000 0.963 288 D CA -0.092 53.902 54.000 -0.010 0.000 0.863 288 D CB 0.369 41.162 40.800 -0.011 0.000 0.973 288 D HN 0.093 nan 8.370 nan 0.000 0.501 289 I N 1.495 122.061 120.570 -0.007 0.000 2.828 289 I HA 0.194 4.320 4.170 -0.073 0.000 0.292 289 I C 1.440 177.553 176.117 -0.007 0.000 1.206 289 I CA 1.037 62.333 61.300 -0.007 0.000 1.420 289 I CB -0.330 37.667 38.000 -0.005 0.000 1.368 289 I HN 0.062 nan 8.210 nan 0.000 0.556 290 G N 5.798 114.594 108.800 -0.007 0.000 2.398 290 G HA2 0.118 4.035 3.960 -0.073 0.000 0.251 290 G HA3 0.118 4.035 3.960 -0.073 0.000 0.251 290 G C -1.095 173.800 174.900 -0.008 0.000 1.277 290 G CA -0.654 44.442 45.100 -0.007 0.000 0.927 290 G HN 0.421 nan 8.290 nan 0.000 0.477 291 T N 1.960 116.508 114.554 -0.008 0.000 2.772 291 T HA 0.574 4.880 4.350 -0.073 0.000 0.288 291 T C -0.193 174.501 174.700 -0.011 0.000 0.994 291 T CA -0.262 61.832 62.100 -0.009 0.000 0.951 291 T CB 1.385 70.248 68.868 -0.008 0.000 0.933 291 T HN 0.458 nan 8.240 nan 0.000 0.447 292 E N 3.127 123.320 120.200 -0.012 0.000 2.318 292 E HA 0.191 4.497 4.350 -0.073 0.000 0.265 292 E C -1.275 175.316 176.600 -0.015 0.000 1.069 292 E CA -1.986 54.405 56.400 -0.015 0.000 0.893 292 E CB 0.697 30.387 29.700 -0.017 0.000 1.076 292 E HN 0.322 nan 8.360 nan 0.000 0.414 293 P HA -0.122 nan 4.420 nan 0.000 0.216 293 P C -0.613 176.677 177.300 -0.017 0.000 1.150 293 P CA 1.359 64.449 63.100 -0.016 0.000 0.837 293 P CB 0.332 32.021 31.700 -0.017 0.000 0.786 294 E N -1.803 118.386 120.200 -0.018 0.000 2.393 294 E HA 0.604 4.910 4.350 -0.073 0.000 0.273 294 E C -1.000 175.590 176.600 -0.016 0.000 0.918 294 E CA -1.143 55.246 56.400 -0.017 0.000 0.773 294 E CB 2.033 31.721 29.700 -0.020 0.000 1.275 294 E HN -0.122 nan 8.360 nan 0.000 0.451 295 A N 0.426 123.238 122.820 -0.013 0.000 2.346 295 A HA 0.462 4.738 4.320 -0.073 0.000 0.252 295 A C 1.133 178.711 177.584 -0.010 0.000 1.089 295 A CA 0.335 52.367 52.037 -0.009 0.000 0.797 295 A CB 0.092 19.090 19.000 -0.003 0.000 1.047 295 A HN 0.767 nan 8.150 nan 0.000 0.494 296 G N -0.810 107.986 108.800 -0.007 0.000 2.848 296 G HA2 0.302 4.218 3.960 -0.073 0.000 0.208 296 G HA3 0.302 4.218 3.960 -0.073 0.000 0.208 296 G C 0.392 175.287 174.900 -0.008 0.000 1.152 296 G CA 0.300 45.394 45.100 -0.009 0.000 0.789 296 G HN 0.700 nan 8.290 nan 0.000 0.531 297 Q N 0.293 120.094 119.800 0.001 0.000 2.389 297 Q HA 0.288 4.584 4.340 -0.073 0.000 0.277 297 Q C -1.505 174.506 176.000 0.018 0.000 1.082 297 Q CA -1.033 54.775 55.803 0.009 0.000 0.810 297 Q CB 2.122 30.881 28.738 0.037 0.000 1.374 297 Q HN 0.031 nan 8.270 nan 0.000 0.422 298 D N 0.859 121.267 120.400 0.013 0.000 2.377 298 D HA 0.340 4.936 4.640 -0.073 0.000 0.245 298 D C -0.076 176.279 176.300 0.091 0.000 1.196 298 D CA -0.048 53.968 54.000 0.027 0.000 0.962 298 D CB 0.783 41.585 40.800 0.003 0.000 1.127 298 D HN 0.626 nan 8.370 nan 0.000 0.471 299 A N 0.455 123.321 122.820 0.077 0.000 2.386 299 A HA 0.013 4.289 4.320 -0.073 0.000 0.246 299 A C 0.652 178.381 177.584 0.243 0.000 1.089 299 A CA -0.127 51.963 52.037 0.089 0.000 0.790 299 A CB -0.076 18.936 19.000 0.021 0.000 1.042 299 A HN 0.532 nan 8.150 nan 0.000 0.497 300 Y N 0.991 121.308 120.300 0.029 0.000 2.256 300 Y HA -0.208 4.294 4.550 -0.079 0.000 0.288 300 Y C 2.921 178.856 175.900 0.058 0.000 1.155 300 Y CA 1.642 59.766 58.100 0.040 0.000 1.203 300 Y CB -1.346 37.129 38.460 0.025 0.000 0.980 300 Y HN 0.745 nan 8.280 nan 0.000 0.530 301 S N -0.994 114.833 115.700 0.212 0.000 2.493 301 S HA -0.120 4.307 4.470 -0.073 0.000 0.243 301 S C 1.775 176.480 174.600 0.174 0.000 0.991 301 S CA 1.168 59.459 58.200 0.151 0.000 0.957 301 S CB -0.553 62.711 63.200 0.106 0.000 0.756 301 S HN 0.467 nan 8.310 nan 0.000 0.521 302 L N -0.409 120.939 121.223 0.208 0.000 2.588 302 L HA 0.354 4.651 4.340 -0.073 0.000 0.194 302 L C 2.703 179.790 176.870 0.362 0.000 1.070 302 L CA 0.218 55.230 54.840 0.287 0.000 0.852 302 L CB -0.194 41.972 42.059 0.178 0.000 1.199 302 L HN 0.169 nan 8.230 nan 0.000 0.486 303 R N -0.043 120.590 120.500 0.221 0.000 2.120 303 R HA -0.131 4.165 4.340 -0.073 0.000 0.234 303 R C 1.474 177.870 176.300 0.161 0.000 1.123 303 R CA 1.753 57.954 56.100 0.169 0.000 0.975 303 R CB -0.180 30.184 30.300 0.106 0.000 0.866 303 R HN 0.389 nan 8.270 nan 0.000 0.446 304 C N 0.295 119.651 119.300 0.093 0.000 2.688 304 C HA 0.451 4.868 4.460 -0.073 0.000 0.297 304 C C 2.075 177.077 174.990 0.020 0.000 1.308 304 C CA -0.405 58.607 59.018 -0.010 0.000 1.726 304 C CB -0.364 27.275 27.740 -0.168 0.000 1.982 304 C HN 0.624 nan 8.230 nan 0.000 0.604 305 A N 2.644 125.521 122.820 0.094 0.000 1.908 305 A HA -0.107 4.169 4.320 -0.073 0.000 0.218 305 A C -0.012 177.488 177.584 -0.139 0.000 1.181 305 A CA 1.823 53.849 52.037 -0.019 0.000 0.627 305 A CB -1.514 17.476 19.000 -0.017 0.000 0.818 305 A HN 0.416 nan 8.150 nan 0.000 0.445 306 P HA -0.138 nan 4.420 nan 0.000 0.217 306 P C 1.263 178.493 177.300 -0.116 0.000 1.150 306 P CA 1.438 64.448 63.100 -0.150 0.000 0.832 306 P CB -0.030 31.626 31.700 -0.073 0.000 0.787 307 Q N -1.044 118.707 119.800 -0.082 0.000 2.083 307 Q HA -0.066 4.230 4.340 -0.073 0.000 0.198 307 Q C 2.116 178.037 176.000 -0.132 0.000 0.969 307 Q CA 1.183 56.934 55.803 -0.086 0.000 0.838 307 Q CB -1.323 27.372 28.738 -0.071 0.000 0.900 307 Q HN 0.093 nan 8.270 nan 0.000 0.436 308 V N 0.227 120.059 119.914 -0.137 0.000 2.283 308 V HA -0.176 3.900 4.120 -0.073 0.000 0.243 308 V C 2.055 178.001 176.094 -0.247 0.000 1.039 308 V CA 1.341 63.548 62.300 -0.155 0.000 1.016 308 V CB -0.511 31.249 31.823 -0.106 0.000 0.650 308 V HN 0.299 nan 8.190 nan 0.000 0.449 309 L N 0.501 121.532 121.223 -0.320 0.000 2.046 309 L HA -0.087 4.209 4.340 -0.073 0.000 0.208 309 L C 2.646 179.017 176.870 -0.831 0.000 1.077 309 L CA 1.752 56.224 54.840 -0.614 0.000 0.747 309 L CB -1.160 40.529 42.059 -0.617 0.000 0.896 309 L HN 0.482 nan 8.230 nan 0.000 0.432 310 G N -0.388 108.142 108.800 -0.451 0.000 2.418 310 G HA2 -0.252 3.665 3.960 -0.073 0.000 0.217 310 G HA3 -0.252 3.665 3.960 -0.073 0.000 0.217 310 G C 1.763 176.574 174.900 -0.148 0.000 1.158 310 G CA 0.806 45.772 45.100 -0.224 0.000 0.771 310 G HN 0.470 nan 8.290 nan 0.000 0.545 311 A N 0.745 123.452 122.820 -0.189 0.000 1.930 311 A HA 0.198 4.474 4.320 -0.073 0.000 0.217 311 A C 2.663 180.185 177.584 -0.102 0.000 1.175 311 A CA 1.984 53.927 52.037 -0.157 0.000 0.627 311 A CB -0.871 18.026 19.000 -0.172 0.000 0.815 311 A HN 0.493 nan 8.150 nan 0.000 0.443 312 G N -1.104 107.600 108.800 -0.160 0.000 2.402 312 G HA2 -0.086 3.830 3.960 -0.073 0.000 0.216 312 G HA3 -0.086 3.830 3.960 -0.073 0.000 0.216 312 G C 1.279 176.255 174.900 0.125 0.000 1.162 312 G CA 0.967 46.016 45.100 -0.085 0.000 0.777 312 G HN 0.371 nan 8.290 nan 0.000 0.539 313 F N 1.777 121.733 119.950 0.009 0.000 2.171 313 F HA 0.031 4.567 4.527 0.015 0.000 0.300 313 F C 2.308 178.134 175.800 0.044 0.000 1.090 313 F CA 0.435 58.452 58.000 0.030 0.000 1.293 313 F CB -0.605 38.406 39.000 0.018 0.000 1.013 313 F HN 0.114 nan 8.300 nan 0.000 0.486 314 D N -0.616 119.914 120.400 0.216 0.000 2.178 314 D HA -0.101 4.495 4.640 -0.073 0.000 0.202 314 D C 2.230 178.640 176.300 0.184 0.000 0.974 314 D CA 1.417 55.511 54.000 0.157 0.000 0.841 314 D CB -0.411 40.431 40.800 0.071 0.000 0.953 314 D HN 0.193 nan 8.370 nan 0.000 0.478 315 T N 1.238 115.891 114.554 0.165 0.000 2.737 315 T HA -0.129 4.178 4.350 -0.073 0.000 0.265 315 T C 1.912 176.776 174.700 0.275 0.000 1.038 315 T CA 0.466 62.700 62.100 0.224 0.000 1.144 315 T CB -0.259 68.691 68.868 0.137 0.000 0.866 315 T HN 0.044 nan 8.240 nan 0.000 0.434 316 L N 1.437 122.783 121.223 0.205 0.000 2.083 316 L HA 0.096 4.392 4.340 -0.073 0.000 0.209 316 L C 2.552 179.544 176.870 0.203 0.000 1.083 316 L CA 1.703 56.644 54.840 0.167 0.000 0.752 316 L CB -1.002 41.141 42.059 0.140 0.000 0.899 316 L HN 0.216 nan 8.230 nan 0.000 0.433 317 A N -1.096 121.845 122.820 0.201 0.000 1.877 317 A HA -0.281 3.996 4.320 -0.073 0.000 0.216 317 A C 2.128 179.851 177.584 0.233 0.000 1.186 317 A CA 1.780 53.923 52.037 0.177 0.000 0.620 317 A CB -1.477 17.619 19.000 0.161 0.000 0.822 317 A HN 0.732 nan 8.150 nan 0.000 0.443 318 W N 0.432 121.790 121.300 0.097 0.000 2.355 318 W HA -0.202 4.411 4.660 -0.078 0.000 0.309 318 W C 2.275 178.859 176.519 0.109 0.000 1.206 318 W CA 1.986 59.383 57.345 0.087 0.000 1.284 318 W CB -0.794 28.711 29.460 0.076 0.000 1.145 318 W HN 0.633 nan 8.180 nan 0.000 0.502 319 H N 0.122 119.133 119.070 -0.098 0.000 2.319 319 H HA -0.176 4.338 4.556 -0.070 0.000 0.297 319 H C 1.368 176.579 175.328 -0.194 0.000 1.097 319 H CA 2.407 58.288 56.048 -0.278 0.000 1.285 319 H CB -0.519 29.191 29.762 -0.086 0.000 1.368 319 H HN 0.075 nan 8.280 nan 0.000 0.495 320 D N 0.195 120.631 120.400 0.061 0.000 2.178 320 D HA -0.065 4.531 4.640 -0.073 0.000 0.202 320 D C 2.591 178.852 176.300 -0.065 0.000 0.974 320 D CA 0.547 54.554 54.000 0.011 0.000 0.841 320 D CB -0.200 40.655 40.800 0.092 0.000 0.953 320 D HN 0.395 nan 8.370 nan 0.000 0.478 321 R N 0.290 120.761 120.500 -0.047 0.000 2.066 321 R HA -0.051 4.245 4.340 -0.073 0.000 0.232 321 R C 2.315 178.554 176.300 -0.102 0.000 1.131 321 R CA 0.718 56.802 56.100 -0.028 0.000 0.955 321 R CB -0.403 29.927 30.300 0.050 0.000 0.851 321 R HN 0.099 nan 8.270 nan 0.000 0.432 322 V N 1.423 121.195 119.914 -0.237 0.000 2.307 322 V HA -0.223 3.854 4.120 -0.073 0.000 0.245 322 V C 2.229 178.174 176.094 -0.248 0.000 1.045 322 V CA 1.457 63.596 62.300 -0.267 0.000 1.024 322 V CB -0.460 31.085 31.823 -0.464 0.000 0.651 322 V HN 0.228 nan 8.190 nan 0.000 0.449 323 L N 0.027 121.056 121.223 -0.323 0.000 2.083 323 L HA -0.151 4.145 4.340 -0.073 0.000 0.209 323 L C 2.439 179.218 176.870 -0.151 0.000 1.083 323 L CA 2.384 57.062 54.840 -0.269 0.000 0.752 323 L CB -0.997 40.849 42.059 -0.356 0.000 0.899 323 L HN 0.337 nan 8.230 nan 0.000 0.433 324 T N -0.116 114.374 114.554 -0.107 0.000 2.720 324 T HA -0.164 4.143 4.350 -0.073 0.000 0.268 324 T C 1.955 176.636 174.700 -0.032 0.000 1.037 324 T CA 2.000 64.072 62.100 -0.046 0.000 1.144 324 T CB -0.297 68.585 68.868 0.023 0.000 0.864 324 T HN 0.332 nan 8.240 nan 0.000 0.444 325 I N 0.623 121.163 120.570 -0.051 0.000 2.202 325 I HA -0.143 3.984 4.170 -0.073 0.000 0.242 325 I C 2.707 178.772 176.117 -0.087 0.000 1.091 325 I CA 1.278 62.546 61.300 -0.054 0.000 1.368 325 I CB -0.307 37.638 38.000 -0.092 0.000 1.058 325 I HN 0.212 nan 8.210 nan 0.000 0.410 326 E N 1.311 121.438 120.200 -0.122 0.000 2.051 326 E HA -0.262 4.045 4.350 -0.073 0.000 0.192 326 E C 2.043 178.592 176.600 -0.085 0.000 0.991 326 E CA 1.297 57.628 56.400 -0.116 0.000 0.799 326 E CB -0.276 29.352 29.700 -0.121 0.000 0.748 326 E HN 0.301 nan 8.360 nan 0.000 0.449 327 L N 1.031 122.203 121.223 -0.085 0.000 2.042 327 L HA -0.118 4.178 4.340 -0.073 0.000 0.210 327 L C 1.173 177.997 176.870 -0.076 0.000 1.076 327 L CA 1.862 56.654 54.840 -0.079 0.000 0.749 327 L CB -0.456 41.547 42.059 -0.092 0.000 0.893 327 L HN 0.157 nan 8.230 nan 0.000 0.432 328 N N -0.100 118.557 118.700 -0.071 0.000 2.314 328 N HA 0.200 4.896 4.740 -0.073 0.000 0.200 328 N C 0.320 175.816 175.510 -0.023 0.000 1.135 328 N CA 0.628 53.650 53.050 -0.046 0.000 0.835 328 N CB 0.226 38.710 38.487 -0.005 0.000 0.989 328 N HN 0.434 nan 8.380 nan 0.000 0.478 329 A N 0.205 123.001 122.820 -0.041 0.000 2.247 329 A HA 0.609 4.885 4.320 -0.073 0.000 0.313 329 A C -0.042 177.520 177.584 -0.037 0.000 1.109 329 A CA -0.394 51.617 52.037 -0.043 0.000 0.890 329 A CB 1.021 19.979 19.000 -0.070 0.000 1.239 329 A HN -0.039 nan 8.150 nan 0.000 0.506 330 V N 1.064 120.955 119.914 -0.039 0.000 2.334 330 V HA 0.332 4.408 4.120 -0.073 0.000 0.281 330 V C 0.777 176.848 176.094 -0.039 0.000 1.016 330 V CA 0.358 62.640 62.300 -0.030 0.000 0.832 330 V CB 0.804 32.610 31.823 -0.028 0.000 0.999 330 V HN 1.037 nan 8.190 nan 0.000 0.439 331 T N -0.790 113.751 114.554 -0.021 0.000 3.186 331 T HA 0.222 4.529 4.350 -0.073 0.000 0.257 331 T C 0.147 174.870 174.700 0.038 0.000 1.029 331 T CA -0.534 61.561 62.100 -0.009 0.000 0.916 331 T CB -0.301 68.571 68.868 0.008 0.000 1.041 331 T HN 0.533 nan 8.240 nan 0.000 0.562 332 D N 2.413 122.825 120.400 0.020 0.000 2.360 332 D HA 0.512 5.108 4.640 -0.073 0.000 0.242 332 D C -0.066 176.256 176.300 0.038 0.000 1.184 332 D CA 0.004 54.030 54.000 0.043 0.000 0.930 332 D CB 0.453 41.256 40.800 0.006 0.000 1.161 332 D HN 0.338 nan 8.370 nan 0.000 0.447 333 N N -0.125 118.621 118.700 0.078 0.000 2.537 333 N HA 0.268 4.964 4.740 -0.073 0.000 0.281 333 N C -2.941 172.598 175.510 0.048 0.000 1.097 333 N CA -1.240 51.834 53.050 0.040 0.000 0.964 333 N CB 1.783 40.423 38.487 0.255 0.000 1.588 333 N HN 0.026 nan 8.380 nan 0.000 0.511 334 P HA 0.356 nan 4.420 nan 0.000 0.279 334 P C -0.897 176.084 177.300 -0.531 0.000 1.282 334 P CA -0.452 62.390 63.100 -0.430 0.000 0.788 334 P CB 0.978 32.234 31.700 -0.738 0.000 1.139 335 V N -3.827 115.691 119.914 -0.660 0.000 3.001 335 V HA 0.630 4.707 4.120 -0.073 0.000 0.314 335 V C -0.988 174.612 176.094 -0.823 0.000 1.099 335 V CA -0.933 60.993 62.300 -0.624 0.000 0.989 335 V CB 1.626 33.286 31.823 -0.271 0.000 1.040 335 V HN 0.225 nan 8.190 nan 0.000 0.434 336 F N 1.796 121.729 119.950 -0.028 0.000 2.359 336 F HA 0.605 5.088 4.527 -0.073 0.000 0.369 336 F C -2.415 173.378 175.800 -0.012 0.000 1.084 336 F CA -2.589 55.402 58.000 -0.016 0.000 1.096 336 F CB 1.190 40.188 39.000 -0.004 0.000 1.335 336 F HN 0.291 nan 8.300 nan 0.000 0.457 337 P HA -0.030 nan 4.420 nan 0.000 0.256 337 P C -1.985 175.356 177.300 0.070 0.000 1.173 337 P CA -0.558 62.573 63.100 0.051 0.000 0.768 337 P CB 0.396 32.115 31.700 0.031 0.000 0.758 338 P HA -0.176 nan 4.420 nan 0.000 0.219 338 P C 0.828 178.148 177.300 0.034 0.000 1.146 338 P CA 1.339 64.466 63.100 0.045 0.000 0.808 338 P CB -0.111 31.608 31.700 0.032 0.000 0.779 339 D N -1.563 118.854 120.400 0.028 0.000 2.363 339 D HA 0.029 4.625 4.640 -0.073 0.000 0.226 339 D C 1.431 177.747 176.300 0.026 0.000 1.020 339 D CA 0.745 54.758 54.000 0.022 0.000 0.892 339 D CB -1.261 39.548 40.800 0.015 0.000 0.900 339 D HN 0.172 nan 8.370 nan 0.000 0.531 340 G N 0.367 109.189 108.800 0.037 0.000 2.166 340 G HA2 -0.400 3.517 3.960 -0.073 0.000 0.260 340 G HA3 -0.400 3.517 3.960 -0.073 0.000 0.260 340 G C 1.246 176.168 174.900 0.037 0.000 0.986 340 G CA 1.247 46.371 45.100 0.041 0.000 0.683 340 G HN 0.648 nan 8.290 nan 0.000 0.527 341 S N -1.387 114.332 115.700 0.032 0.000 2.359 341 S HA 0.156 4.582 4.470 -0.073 0.000 0.224 341 S C 1.230 175.850 174.600 0.033 0.000 1.035 341 S CA 1.996 60.212 58.200 0.026 0.000 1.018 341 S CB -0.453 62.758 63.200 0.019 0.000 0.876 341 S HN 2.028 nan 8.310 nan 0.000 0.448 342 V N -3.400 116.539 119.914 0.042 0.000 3.007 342 V HA 0.569 4.645 4.120 -0.073 0.000 0.311 342 V C -2.472 173.669 176.094 0.079 0.000 1.120 342 V CA -2.192 60.139 62.300 0.052 0.000 0.980 342 V CB 1.241 33.090 31.823 0.043 0.000 1.033 342 V HN -0.095 nan 8.190 nan 0.000 0.429 343 P HA 0.156 nan 4.420 nan 0.000 0.215 343 P C 0.308 177.742 177.300 0.224 0.000 1.153 343 P CA 2.318 65.509 63.100 0.150 0.000 0.853 343 P CB 0.157 31.941 31.700 0.141 0.000 0.788 344 A N -2.205 120.693 122.820 0.130 0.000 2.597 344 A HA 0.614 4.890 4.320 -0.073 0.000 0.292 344 A C -1.895 175.649 177.584 -0.067 0.000 1.057 344 A CA -0.567 51.462 52.037 -0.012 0.000 0.674 344 A CB 0.364 19.334 19.000 -0.049 0.000 1.278 344 A HN -0.051 nan 8.150 nan 0.000 0.416 345 L N 1.176 122.271 121.223 -0.214 0.000 2.346 345 L HA 0.613 4.910 4.340 -0.073 0.000 0.274 345 L C -0.992 175.700 176.870 -0.297 0.000 1.007 345 L CA -0.697 54.059 54.840 -0.140 0.000 0.818 345 L CB 2.178 44.169 42.059 -0.112 0.000 1.284 345 L HN 0.850 nan 8.230 nan 0.000 0.424 346 H N 1.098 120.106 119.070 -0.103 0.000 2.539 346 H HA 0.739 5.251 4.556 -0.073 0.000 0.332 346 H C 0.152 175.419 175.328 -0.102 0.000 1.031 346 H CA -0.147 55.840 56.048 -0.102 0.000 1.206 346 H CB 1.946 31.649 29.762 -0.098 0.000 1.446 346 H HN 0.741 nan 8.280 nan 0.000 0.496 347 G N 0.686 109.460 108.800 -0.043 0.000 2.793 347 G HA2 0.447 4.364 3.960 -0.073 0.000 0.248 347 G HA3 0.447 4.364 3.960 -0.073 0.000 0.248 347 G C -0.268 174.482 174.900 -0.251 0.000 1.198 347 G CA -0.310 44.722 45.100 -0.112 0.000 0.865 347 G HN 0.658 nan 8.290 nan 0.000 0.534 348 G N 0.003 108.531 108.800 -0.453 0.000 4.716 348 G HA2 0.283 4.200 3.960 -0.073 0.000 0.282 348 G HA3 0.283 4.200 3.960 -0.073 0.000 0.282 348 G C 0.283 174.573 174.900 -1.017 0.000 1.173 348 G CA -0.131 44.320 45.100 -1.081 0.000 0.913 348 G HN 0.267 nan 8.290 nan 0.000 0.566 349 N N 0.900 119.229 118.700 -0.618 0.000 2.609 349 N HA -0.056 4.640 4.740 -0.073 0.000 0.190 349 N C 1.529 176.890 175.510 -0.249 0.000 1.157 349 N CA 0.396 53.243 53.050 -0.338 0.000 0.918 349 N CB -0.168 38.207 38.487 -0.186 0.000 0.978 349 N HN 0.632 nan 8.380 nan 0.000 0.448 350 F N -1.133 118.797 119.950 -0.032 0.000 2.780 350 F HA 0.313 4.796 4.527 -0.073 0.000 0.299 350 F C 0.832 176.628 175.800 -0.007 0.000 1.146 350 F CA -0.751 57.236 58.000 -0.022 0.000 1.428 350 F CB -0.730 38.256 39.000 -0.024 0.000 1.115 350 F HN -0.164 nan 8.300 nan 0.000 0.583 351 M N 2.735 122.323 119.600 -0.019 0.000 2.350 351 M HA 0.358 4.795 4.480 -0.073 0.000 0.338 351 M C 0.943 177.290 176.300 0.079 0.000 1.559 351 M CA -0.618 54.739 55.300 0.095 0.000 1.217 351 M CB 0.153 32.727 32.600 -0.042 0.000 1.808 351 M HN 0.228 nan 8.290 nan 0.000 0.458 352 G N 3.484 112.348 108.800 0.107 0.000 3.452 352 G HA2 0.041 3.957 3.960 -0.073 0.000 0.258 352 G HA3 0.041 3.957 3.960 -0.073 0.000 0.258 352 G C 0.669 175.610 174.900 0.068 0.000 1.305 352 G CA -0.198 44.950 45.100 0.080 0.000 1.514 352 G HN 0.815 nan 8.290 nan 0.000 0.593 353 Q N -0.014 119.824 119.800 0.064 0.000 2.167 353 Q HA -0.095 4.201 4.340 -0.073 0.000 0.202 353 Q C 1.924 177.901 176.000 -0.039 0.000 0.970 353 Q CA 1.454 57.262 55.803 0.008 0.000 0.855 353 Q CB -0.112 28.609 28.738 -0.028 0.000 0.911 353 Q HN 0.720 nan 8.270 nan 0.000 0.438 354 H N -1.723 117.328 119.070 -0.032 0.000 2.321 354 H HA -0.064 4.448 4.556 -0.074 0.000 0.300 354 H C 1.808 177.062 175.328 -0.123 0.000 1.087 354 H CA 1.770 57.773 56.048 -0.074 0.000 1.319 354 H CB -0.029 29.675 29.762 -0.096 0.000 1.379 354 H HN 0.070 nan 8.280 nan 0.000 0.501 355 V N 0.514 120.441 119.914 0.021 0.000 2.515 355 V HA -0.221 3.856 4.120 -0.073 0.000 0.250 355 V C 2.495 178.584 176.094 -0.008 0.000 1.058 355 V CA 1.407 63.683 62.300 -0.040 0.000 1.064 355 V CB -0.927 30.885 31.823 -0.019 0.000 0.675 355 V HN 0.567 nan 8.190 nan 0.000 0.461 356 A N 0.028 122.856 122.820 0.012 0.000 1.858 356 A HA -0.157 4.120 4.320 -0.073 0.000 0.216 356 A C 2.204 179.806 177.584 0.031 0.000 1.190 356 A CA 1.812 53.866 52.037 0.028 0.000 0.617 356 A CB -0.520 18.498 19.000 0.030 0.000 0.827 356 A HN 0.487 nan 8.150 nan 0.000 0.443 357 L N -0.152 121.080 121.223 0.014 0.000 2.093 357 L HA -0.139 4.158 4.340 -0.073 0.000 0.208 357 L C 2.976 179.900 176.870 0.090 0.000 1.085 357 L CA 1.759 56.637 54.840 0.063 0.000 0.755 357 L CB -0.861 41.246 42.059 0.080 0.000 0.904 357 L HN 0.666 nan 8.230 nan 0.000 0.435 358 T N -4.643 109.870 114.554 -0.068 0.000 2.857 358 T HA -0.086 4.221 4.350 -0.073 0.000 0.266 358 T C 2.022 176.808 174.700 0.145 0.000 1.048 358 T CA 1.213 63.223 62.100 -0.150 0.000 1.139 358 T CB -0.224 68.344 68.868 -0.500 0.000 0.874 358 T HN 0.117 nan 8.240 nan 0.000 0.455 359 S N 1.646 117.425 115.700 0.132 0.000 2.368 359 S HA -0.090 4.337 4.470 -0.073 0.000 0.224 359 S C 1.837 176.496 174.600 0.098 0.000 1.029 359 S CA 1.188 59.478 58.200 0.150 0.000 0.988 359 S CB -0.507 62.761 63.200 0.112 0.000 0.838 359 S HN 0.516 nan 8.310 nan 0.000 0.462 360 D N 1.631 122.087 120.400 0.092 0.000 2.117 360 D HA 0.034 4.630 4.640 -0.073 0.000 0.198 360 D C 2.117 178.470 176.300 0.089 0.000 0.982 360 D CA 1.147 55.194 54.000 0.079 0.000 0.828 360 D CB -0.407 40.437 40.800 0.072 0.000 0.967 360 D HN 0.371 nan 8.370 nan 0.000 0.464 361 A N 0.634 123.542 122.820 0.147 0.000 1.930 361 A HA -0.120 4.156 4.320 -0.073 0.000 0.217 361 A C 2.128 179.784 177.584 0.121 0.000 1.175 361 A CA 0.875 53.020 52.037 0.179 0.000 0.627 361 A CB -0.577 18.658 19.000 0.391 0.000 0.815 361 A HN 0.245 nan 8.150 nan 0.000 0.443 362 L N -0.412 120.870 121.223 0.099 0.000 2.109 362 L HA 0.058 4.354 4.340 -0.073 0.000 0.207 362 L C 2.581 179.433 176.870 -0.030 0.000 1.086 362 L CA 1.918 56.760 54.840 0.005 0.000 0.760 362 L CB -0.708 41.267 42.059 -0.139 0.000 0.910 362 L HN 0.315 nan 8.230 nan 0.000 0.437 363 A N -1.461 121.356 122.820 -0.005 0.000 1.933 363 A HA -0.185 4.091 4.320 -0.073 0.000 0.218 363 A C 2.248 179.806 177.584 -0.044 0.000 1.175 363 A CA 2.217 54.245 52.037 -0.016 0.000 0.628 363 A CB -1.137 17.871 19.000 0.014 0.000 0.814 363 A HN 0.493 nan 8.150 nan 0.000 0.444 364 T N 0.223 114.761 114.554 -0.026 0.000 2.777 364 T HA 0.010 4.317 4.350 -0.073 0.000 0.266 364 T C 2.232 176.877 174.700 -0.093 0.000 1.040 364 T CA 1.495 63.569 62.100 -0.044 0.000 1.141 364 T CB -0.420 68.437 68.868 -0.018 0.000 0.868 364 T HN 0.589 nan 8.240 nan 0.000 0.444 365 A N 0.927 123.693 122.820 -0.091 0.000 1.933 365 A HA -0.038 4.238 4.320 -0.073 0.000 0.218 365 A C 2.565 179.980 177.584 -0.283 0.000 1.175 365 A CA 1.238 53.190 52.037 -0.143 0.000 0.628 365 A CB -0.966 17.985 19.000 -0.081 0.000 0.814 365 A HN 0.356 nan 8.150 nan 0.000 0.444 366 V N -0.298 119.435 119.914 -0.302 0.000 2.358 366 V HA -0.205 3.871 4.120 -0.073 0.000 0.246 366 V C 2.718 178.483 176.094 -0.548 0.000 1.047 366 V CA 2.415 64.388 62.300 -0.544 0.000 1.035 366 V CB -1.130 30.534 31.823 -0.265 0.000 0.658 366 V HN 0.609 nan 8.190 nan 0.000 0.452 367 T N -0.194 114.187 114.554 -0.289 0.000 2.821 367 T HA -0.135 4.171 4.350 -0.073 0.000 0.267 367 T C 1.925 176.491 174.700 -0.224 0.000 1.046 367 T CA 1.476 63.450 62.100 -0.209 0.000 1.139 367 T CB -0.119 68.682 68.868 -0.111 0.000 0.871 367 T HN 0.287 nan 8.240 nan 0.000 0.454 368 V N 1.112 120.889 119.914 -0.228 0.000 2.307 368 V HA -0.067 4.009 4.120 -0.073 0.000 0.245 368 V C 2.364 178.316 176.094 -0.236 0.000 1.045 368 V CA 1.229 63.417 62.300 -0.188 0.000 1.024 368 V CB -0.524 31.204 31.823 -0.158 0.000 0.651 368 V HN 0.314 nan 8.190 nan 0.000 0.449 369 L N 0.375 121.365 121.223 -0.389 0.000 2.141 369 L HA -0.024 4.272 4.340 -0.073 0.000 0.209 369 L C 2.534 179.188 176.870 -0.361 0.000 1.094 369 L CA 2.012 56.612 54.840 -0.400 0.000 0.763 369 L CB -1.160 40.536 42.059 -0.605 0.000 0.908 369 L HN 0.284 nan 8.230 nan 0.000 0.437 370 A N -0.608 121.866 122.820 -0.577 0.000 1.930 370 A HA -0.046 4.230 4.320 -0.073 0.000 0.217 370 A C 2.422 179.977 177.584 -0.050 0.000 1.175 370 A CA 1.451 53.332 52.037 -0.259 0.000 0.627 370 A CB -1.200 17.660 19.000 -0.233 0.000 0.815 370 A HN 0.416 nan 8.150 nan 0.000 0.443 371 G N -0.047 108.698 108.800 -0.092 0.000 2.422 371 G HA2 -0.134 3.783 3.960 -0.073 0.000 0.218 371 G HA3 -0.134 3.783 3.960 -0.073 0.000 0.218 371 G C 1.478 176.378 174.900 -0.001 0.000 1.146 371 G CA 1.179 46.259 45.100 -0.034 0.000 0.769 371 G HN 0.508 nan 8.290 nan 0.000 0.547 372 L N 1.464 122.680 121.223 -0.011 0.000 2.012 372 L HA 0.101 4.397 4.340 -0.073 0.000 0.210 372 L C 3.025 179.935 176.870 0.067 0.000 1.073 372 L CA 2.380 57.235 54.840 0.026 0.000 0.748 372 L CB -0.814 41.252 42.059 0.010 0.000 0.891 372 L HN 0.220 nan 8.230 nan 0.000 0.431 373 A N -0.848 122.036 122.820 0.107 0.000 1.902 373 A HA -0.236 4.040 4.320 -0.073 0.000 0.217 373 A C 2.328 179.968 177.584 0.095 0.000 1.181 373 A CA 1.728 53.847 52.037 0.138 0.000 0.623 373 A CB -0.831 18.312 19.000 0.238 0.000 0.818 373 A HN 0.602 nan 8.150 nan 0.000 0.443 374 E N -0.064 120.185 120.200 0.082 0.000 2.110 374 E HA -0.203 4.103 4.350 -0.073 0.000 0.193 374 E C 2.019 178.651 176.600 0.053 0.000 0.988 374 E CA 0.911 57.349 56.400 0.063 0.000 0.804 374 E CB -0.202 29.529 29.700 0.052 0.000 0.745 374 E HN 0.380 nan 8.360 nan 0.000 0.458 375 R N 0.222 120.751 120.500 0.048 0.000 2.153 375 R HA -0.001 4.295 4.340 -0.073 0.000 0.218 375 R C 2.353 178.681 176.300 0.047 0.000 1.072 375 R CA 0.707 56.832 56.100 0.043 0.000 0.990 375 R CB -0.321 30.002 30.300 0.039 0.000 0.889 375 R HN 0.390 nan 8.270 nan 0.000 0.452 376 Q N 0.013 119.847 119.800 0.056 0.000 2.119 376 Q HA -0.019 4.277 4.340 -0.073 0.000 0.201 376 Q C 2.118 178.141 176.000 0.039 0.000 0.972 376 Q CA 1.034 56.871 55.803 0.056 0.000 0.847 376 Q CB -0.027 28.754 28.738 0.072 0.000 0.903 376 Q HN 0.302 nan 8.270 nan 0.000 0.433 377 I N 0.506 121.099 120.570 0.038 0.000 2.252 377 I HA -0.226 3.900 4.170 -0.073 0.000 0.245 377 I C 2.388 178.530 176.117 0.041 0.000 1.102 377 I CA 0.851 62.166 61.300 0.026 0.000 1.385 377 I CB -0.362 37.657 38.000 0.031 0.000 1.064 377 I HN 0.135 nan 8.210 nan 0.000 0.414 378 A N 0.774 123.624 122.820 0.050 0.000 1.972 378 A HA -0.241 4.035 4.320 -0.073 0.000 0.219 378 A C 2.429 180.030 177.584 0.027 0.000 1.169 378 A CA 1.842 53.913 52.037 0.056 0.000 0.635 378 A CB -0.596 18.435 19.000 0.052 0.000 0.810 378 A HN 0.404 nan 8.150 nan 0.000 0.446 379 R N -1.027 119.483 120.500 0.017 0.000 2.080 379 R HA 0.027 4.323 4.340 -0.073 0.000 0.222 379 R C 1.983 178.273 176.300 -0.017 0.000 1.107 379 R CA 1.176 57.276 56.100 -0.001 0.000 0.980 379 R CB -0.367 29.939 30.300 0.011 0.000 0.879 379 R HN 0.379 nan 8.270 nan 0.000 0.439 380 L N 1.274 122.492 121.223 -0.008 0.000 2.131 380 L HA -0.093 4.204 4.340 -0.073 0.000 0.210 380 L C 1.914 178.760 176.870 -0.041 0.000 1.092 380 L CA 2.382 57.210 54.840 -0.020 0.000 0.759 380 L CB -0.407 41.642 42.059 -0.017 0.000 0.903 380 L HN 0.426 nan 8.230 nan 0.000 0.435 381 T N -4.310 110.220 114.554 -0.041 0.000 3.107 381 T HA 0.038 4.345 4.350 -0.073 0.000 0.249 381 T C 0.725 175.212 174.700 -0.355 0.000 1.096 381 T CA -0.161 61.883 62.100 -0.093 0.000 1.012 381 T CB -0.447 68.487 68.868 0.110 0.000 0.977 381 T HN 0.250 nan 8.240 nan 0.000 0.527 382 D N 2.638 122.899 120.400 -0.232 0.000 2.339 382 D HA 0.067 4.663 4.640 -0.073 0.000 0.241 382 D C 1.286 177.462 176.300 -0.206 0.000 1.183 382 D CA -0.269 53.573 54.000 -0.263 0.000 0.859 382 D CB 1.327 42.056 40.800 -0.118 0.000 1.067 382 D HN 0.615 nan 8.370 nan 0.000 0.484 383 E N 3.296 123.349 120.200 -0.245 0.000 2.333 383 E HA -0.183 4.123 4.350 -0.073 0.000 0.198 383 E C 1.041 177.593 176.600 -0.080 0.000 1.007 383 E CA 0.738 57.056 56.400 -0.136 0.000 0.845 383 E CB 0.103 29.737 29.700 -0.111 0.000 0.766 383 E HN 0.362 nan 8.360 nan 0.000 0.507 384 R N -0.013 120.441 120.500 -0.076 0.000 2.276 384 R HA 0.193 4.489 4.340 -0.073 0.000 0.196 384 R C 1.646 177.921 176.300 -0.042 0.000 0.961 384 R CA 0.451 56.523 56.100 -0.046 0.000 1.024 384 R CB 0.230 30.508 30.300 -0.036 0.000 0.940 384 R HN 0.273 nan 8.270 nan 0.000 0.480 385 L N -0.145 121.047 121.223 -0.051 0.000 2.840 385 L HA 0.119 4.415 4.340 -0.073 0.000 0.249 385 L C 0.598 177.446 176.870 -0.035 0.000 1.119 385 L CA -0.108 54.709 54.840 -0.039 0.000 0.930 385 L CB 0.181 42.219 42.059 -0.035 0.000 1.295 385 L HN 0.100 nan 8.230 nan 0.000 0.534 386 N N 1.011 119.684 118.700 -0.046 0.000 2.362 386 N HA -0.044 4.653 4.740 -0.073 0.000 0.211 386 N C 0.002 175.496 175.510 -0.027 0.000 1.170 386 N CA -0.264 52.764 53.050 -0.037 0.000 0.828 386 N CB -0.239 38.219 38.487 -0.049 0.000 1.034 386 N HN 0.078 nan 8.380 nan 0.000 0.475 387 R N -0.382 120.102 120.500 -0.025 0.000 3.188 387 R HA -0.174 4.122 4.340 -0.073 0.000 0.247 387 R C 0.802 177.091 176.300 -0.017 0.000 0.918 387 R CA 0.506 56.594 56.100 -0.020 0.000 0.629 387 R CB -2.069 28.221 30.300 -0.017 0.000 1.087 387 R HN 0.639 nan 8.270 nan 0.000 0.462 388 G N -0.914 107.875 108.800 -0.019 0.000 2.194 388 G HA2 -0.303 3.614 3.960 -0.073 0.000 0.236 388 G HA3 -0.303 3.614 3.960 -0.073 0.000 0.236 388 G C 0.264 175.155 174.900 -0.015 0.000 0.987 388 G CA 0.066 45.157 45.100 -0.014 0.000 0.635 388 G HN 0.281 nan 8.290 nan 0.000 0.520 389 L N 1.425 122.636 121.223 -0.020 0.000 2.439 389 L HA 0.439 4.736 4.340 -0.073 0.000 0.261 389 L C -1.614 175.243 176.870 -0.021 0.000 1.153 389 L CA -2.048 52.779 54.840 -0.021 0.000 0.808 389 L CB 0.684 42.731 42.059 -0.019 0.000 1.126 389 L HN -0.089 nan 8.230 nan 0.000 0.460 390 P HA 0.064 nan 4.420 nan 0.000 0.269 390 P C -2.495 174.835 177.300 0.050 0.000 1.215 390 P CA -0.982 62.119 63.100 0.003 0.000 0.780 390 P CB -0.126 31.477 31.700 -0.162 0.000 0.898 391 P HA -0.001 nan 4.420 nan 0.000 0.266 391 P C -0.297 177.059 177.300 0.094 0.000 1.215 391 P CA 0.352 63.407 63.100 -0.075 0.000 0.763 391 P CB -0.192 31.520 31.700 0.020 0.000 0.806 392 F N 1.714 121.763 119.950 0.165 0.000 3.034 392 F HA -0.240 4.243 4.527 -0.074 0.000 0.286 392 F C 1.297 177.272 175.800 0.291 0.000 0.804 392 F CA 0.295 58.417 58.000 0.203 0.000 1.161 392 F CB -2.622 36.483 39.000 0.175 0.000 1.317 392 F HN 0.274 nan 8.300 nan 0.000 0.453 393 L N -1.542 119.850 121.223 0.281 0.000 3.737 393 L HA -0.314 3.983 4.340 -0.073 0.000 0.418 393 L C 1.305 178.323 176.870 0.248 0.000 1.216 393 L CA 1.050 56.035 54.840 0.243 0.000 0.915 393 L CB -1.946 40.289 42.059 0.292 0.000 1.834 393 L HN 0.693 nan 8.230 nan 0.000 0.943 394 H N 0.432 119.614 119.070 0.187 0.000 2.603 394 H HA 0.674 5.185 4.556 -0.073 0.000 0.370 394 H C 0.263 175.637 175.328 0.076 0.000 1.225 394 H CA -0.472 55.640 56.048 0.106 0.000 1.410 394 H CB 0.923 30.742 29.762 0.095 0.000 1.495 394 H HN 0.300 nan 8.280 nan 0.000 0.602 395 R N -0.048 120.434 120.500 -0.029 0.000 2.888 395 R HA 0.488 4.784 4.340 -0.073 0.000 0.266 395 R C -0.330 176.045 176.300 0.124 0.000 1.020 395 R CA -0.280 55.782 56.100 -0.063 0.000 0.963 395 R CB 2.073 32.365 30.300 -0.012 0.000 1.197 395 R HN 1.101 nan 8.270 nan 0.000 0.481 396 G N 1.313 110.167 108.800 0.090 0.000 2.796 396 G HA2 -0.178 3.738 3.960 -0.073 0.000 0.571 396 G HA3 -0.178 3.738 3.960 -0.073 0.000 0.571 396 G C -2.754 172.267 174.900 0.202 0.000 1.370 396 G CA -1.249 43.922 45.100 0.119 0.000 0.856 396 G HN 0.376 nan 8.290 nan 0.000 0.538 397 P HA 0.451 nan 4.420 nan 0.000 0.264 397 P C 0.467 177.802 177.300 0.058 0.000 1.193 397 P CA 0.801 63.966 63.100 0.109 0.000 0.763 397 P CB 0.711 32.440 31.700 0.048 0.000 0.810 398 A N 3.444 126.287 122.820 0.037 0.000 2.483 398 A HA 0.459 4.735 4.320 -0.073 0.000 0.238 398 A C 1.633 179.105 177.584 -0.186 0.000 1.070 398 A CA 0.819 52.669 52.037 -0.311 0.000 0.770 398 A CB -1.042 17.890 19.000 -0.115 0.000 1.008 398 A HN 0.815 nan 8.150 nan 0.000 0.497 399 G N 0.318 108.983 108.800 -0.225 0.000 3.329 399 G HA2 -0.315 3.601 3.960 -0.073 0.000 0.220 399 G HA3 -0.315 3.601 3.960 -0.073 0.000 0.220 399 G C 1.102 175.947 174.900 -0.092 0.000 1.358 399 G CA 0.597 45.631 45.100 -0.111 0.000 0.856 399 G HN 0.877 nan 8.290 nan 0.000 0.551 400 L N 0.940 122.119 121.223 -0.074 0.000 2.191 400 L HA 0.127 4.423 4.340 -0.073 0.000 0.212 400 L C 0.800 177.638 176.870 -0.053 0.000 1.103 400 L CA 0.925 55.737 54.840 -0.046 0.000 0.769 400 L CB -0.260 41.787 42.059 -0.020 0.000 0.908 400 L HN 0.322 nan 8.230 nan 0.000 0.438 401 N N -1.560 117.088 118.700 -0.086 0.000 2.258 401 N HA 0.212 4.908 4.740 -0.073 0.000 0.299 401 N C -0.132 175.298 175.510 -0.134 0.000 1.047 401 N CA -0.137 52.875 53.050 -0.064 0.000 0.814 401 N CB 2.152 40.669 38.487 0.051 0.000 1.413 401 N HN -0.239 nan 8.380 nan 0.000 0.478 402 S N 0.057 115.718 115.700 -0.066 0.000 2.603 402 S HA 0.260 4.686 4.470 -0.073 0.000 0.232 402 S C 1.235 175.866 174.600 0.052 0.000 1.016 402 S CA 0.063 58.232 58.200 -0.051 0.000 0.976 402 S CB 0.505 63.626 63.200 -0.133 0.000 0.921 402 S HN 0.933 nan 8.310 nan 0.000 0.516 403 G N 2.474 111.299 108.800 0.041 0.000 2.629 403 G HA2 -0.341 3.575 3.960 -0.073 0.000 0.313 403 G HA3 -0.341 3.575 3.960 -0.073 0.000 0.313 403 G C 0.181 174.967 174.900 -0.191 0.000 1.217 403 G CA 0.763 45.838 45.100 -0.041 0.000 0.994 403 G HN 0.464 nan 8.290 nan 0.000 0.549 404 F N 1.329 121.365 119.950 0.143 0.000 2.663 404 F HA 0.485 4.973 4.527 -0.065 0.000 0.299 404 F C 2.327 178.159 175.800 0.054 0.000 1.143 404 F CA 0.853 58.911 58.000 0.096 0.000 1.387 404 F CB 0.162 39.233 39.000 0.118 0.000 1.019 404 F HN 0.318 nan 8.300 nan 0.000 0.523 405 M N -0.034 119.566 119.600 0.001 0.000 2.213 405 M HA -0.102 4.335 4.480 -0.073 0.000 0.263 405 M C 2.309 178.482 176.300 -0.212 0.000 1.062 405 M CA 2.093 57.127 55.300 -0.443 0.000 1.105 405 M CB -0.328 31.719 32.600 -0.923 0.000 1.385 405 M HN 0.336 nan 8.290 nan 0.000 0.417 406 G N -0.877 107.861 108.800 -0.103 0.000 2.396 406 G HA2 -0.050 3.866 3.960 -0.073 0.000 0.214 406 G HA3 -0.050 3.866 3.960 -0.073 0.000 0.214 406 G C 1.468 176.376 174.900 0.015 0.000 1.166 406 G CA 0.621 45.688 45.100 -0.055 0.000 0.793 406 G HN 0.588 nan 8.290 nan 0.000 0.533 407 A N 0.015 122.883 122.820 0.081 0.000 1.972 407 A HA -0.079 4.197 4.320 -0.073 0.000 0.219 407 A C 2.251 179.902 177.584 0.111 0.000 1.169 407 A CA 1.990 54.102 52.037 0.125 0.000 0.635 407 A CB -0.364 18.788 19.000 0.254 0.000 0.810 407 A HN 0.381 nan 8.150 nan 0.000 0.446 408 Q N 0.077 119.956 119.800 0.132 0.000 2.079 408 Q HA -0.104 4.192 4.340 -0.073 0.000 0.200 408 Q C 2.053 178.103 176.000 0.083 0.000 0.974 408 Q CA 1.957 57.836 55.803 0.128 0.000 0.840 408 Q CB -0.260 28.607 28.738 0.215 0.000 0.898 408 Q HN 0.423 nan 8.270 nan 0.000 0.430 409 V N 0.525 120.470 119.914 0.051 0.000 2.453 409 V HA -0.185 3.892 4.120 -0.073 0.000 0.247 409 V C 2.333 178.445 176.094 0.030 0.000 1.048 409 V CA 1.961 64.279 62.300 0.031 0.000 1.049 409 V CB -0.727 31.096 31.823 -0.000 0.000 0.672 409 V HN 0.365 nan 8.190 nan 0.000 0.457 410 T N 0.410 114.983 114.554 0.032 0.000 2.788 410 T HA -0.156 4.150 4.350 -0.073 0.000 0.268 410 T C 2.065 176.787 174.700 0.036 0.000 1.044 410 T CA 1.578 63.696 62.100 0.030 0.000 1.139 410 T CB -0.345 68.542 68.868 0.031 0.000 0.867 410 T HN 0.570 nan 8.240 nan 0.000 0.454 411 A N 1.159 124.005 122.820 0.045 0.000 1.902 411 A HA -0.131 4.146 4.320 -0.073 0.000 0.217 411 A C 2.538 180.150 177.584 0.046 0.000 1.181 411 A CA 2.102 54.168 52.037 0.047 0.000 0.623 411 A CB -1.162 17.869 19.000 0.052 0.000 0.818 411 A HN 0.481 nan 8.150 nan 0.000 0.443 412 T N 0.216 114.796 114.554 0.044 0.000 2.777 412 T HA 0.028 4.334 4.350 -0.073 0.000 0.266 412 T C 2.207 176.925 174.700 0.030 0.000 1.040 412 T CA 1.435 63.557 62.100 0.037 0.000 1.141 412 T CB -0.403 68.488 68.868 0.038 0.000 0.868 412 T HN 0.589 nan 8.240 nan 0.000 0.444 413 A N 1.205 124.042 122.820 0.027 0.000 1.933 413 A HA 0.053 4.329 4.320 -0.073 0.000 0.218 413 A C 2.282 179.880 177.584 0.024 0.000 1.175 413 A CA 1.063 53.114 52.037 0.022 0.000 0.628 413 A CB -0.768 18.243 19.000 0.019 0.000 0.814 413 A HN 0.469 nan 8.150 nan 0.000 0.444 414 L N -1.145 120.096 121.223 0.031 0.000 2.056 414 L HA -0.140 4.156 4.340 -0.073 0.000 0.207 414 L C 2.545 179.436 176.870 0.036 0.000 1.078 414 L CA 1.097 55.958 54.840 0.036 0.000 0.749 414 L CB -0.507 41.579 42.059 0.044 0.000 0.901 414 L HN 0.475 nan 8.230 nan 0.000 0.433 415 L N 0.269 121.513 121.223 0.035 0.000 2.056 415 L HA -0.095 4.202 4.340 -0.073 0.000 0.207 415 L C 2.625 179.504 176.870 0.014 0.000 1.078 415 L CA 1.942 56.797 54.840 0.025 0.000 0.749 415 L CB -0.692 41.381 42.059 0.023 0.000 0.901 415 L HN 0.120 nan 8.230 nan 0.000 0.433 416 A N -0.777 122.053 122.820 0.016 0.000 1.902 416 A HA -0.276 4.001 4.320 -0.073 0.000 0.217 416 A C 2.335 179.926 177.584 0.012 0.000 1.181 416 A CA 1.851 53.895 52.037 0.012 0.000 0.623 416 A CB -0.745 18.263 19.000 0.013 0.000 0.818 416 A HN 0.635 nan 8.150 nan 0.000 0.443 417 E N -0.687 119.522 120.200 0.015 0.000 2.072 417 E HA -0.180 4.127 4.350 -0.073 0.000 0.191 417 E C 2.036 178.645 176.600 0.015 0.000 0.985 417 E CA 1.267 57.676 56.400 0.015 0.000 0.801 417 E CB -0.197 29.514 29.700 0.019 0.000 0.750 417 E HN 0.667 nan 8.360 nan 0.000 0.452 418 M N -0.013 119.596 119.600 0.016 0.000 2.108 418 M HA -0.173 4.264 4.480 -0.073 0.000 0.261 418 M C 2.304 178.607 176.300 0.004 0.000 1.066 418 M CA 1.541 56.848 55.300 0.012 0.000 1.107 418 M CB -0.143 32.461 32.600 0.006 0.000 1.356 418 M HN 0.021 nan 8.290 nan 0.000 0.406 419 R N -0.017 120.483 120.500 0.001 0.000 2.148 419 R HA -0.031 4.265 4.340 -0.073 0.000 0.227 419 R C 2.193 178.497 176.300 0.006 0.000 1.103 419 R CA 1.145 57.245 56.100 -0.002 0.000 0.983 419 R CB -0.447 29.851 30.300 -0.003 0.000 0.874 419 R HN 0.367 nan 8.270 nan 0.000 0.451 420 A N 0.572 123.397 122.820 0.009 0.000 2.067 420 A HA -0.036 4.240 4.320 -0.073 0.000 0.219 420 A C 0.787 178.380 177.584 0.015 0.000 1.158 420 A CA 0.946 52.989 52.037 0.011 0.000 0.661 420 A CB 0.059 19.064 19.000 0.010 0.000 0.801 420 A HN 0.110 nan 8.150 nan 0.000 0.452 421 T N 0.019 114.584 114.554 0.017 0.000 2.771 421 T HA 0.552 4.858 4.350 -0.073 0.000 0.281 421 T C 0.458 175.178 174.700 0.034 0.000 0.982 421 T CA 0.052 62.167 62.100 0.024 0.000 0.978 421 T CB 1.540 70.421 68.868 0.022 0.000 0.930 421 T HN 0.367 nan 8.240 nan 0.000 0.447 422 G N 3.003 111.836 108.800 0.055 0.000 2.795 422 G HA2 0.672 4.588 3.960 -0.073 0.000 0.267 422 G HA3 0.672 4.588 3.960 -0.073 0.000 0.267 422 G C -2.645 172.304 174.900 0.082 0.000 1.362 422 G CA -1.579 43.560 45.100 0.064 0.000 1.048 422 G HN 0.442 nan 8.290 nan 0.000 0.547 423 P HA 0.273 nan 4.420 nan 0.000 0.267 423 P C 0.326 177.698 177.300 0.120 0.000 1.200 423 P CA 0.307 63.447 63.100 0.068 0.000 0.772 423 P CB 1.346 33.063 31.700 0.029 0.000 0.855 424 A N 1.885 124.776 122.820 0.118 0.000 1.984 424 A HA -0.042 4.234 4.320 -0.073 0.000 0.214 424 A C 2.076 179.743 177.584 0.139 0.000 1.173 424 A CA 1.040 53.185 52.037 0.180 0.000 0.673 424 A CB -1.061 18.008 19.000 0.116 0.000 0.830 424 A HN 0.475 nan 8.150 nan 0.000 0.453 425 S N 0.598 116.331 115.700 0.055 0.000 2.402 425 S HA -0.191 4.235 4.470 -0.073 0.000 0.233 425 S C 1.710 176.281 174.600 -0.049 0.000 1.030 425 S CA 1.609 59.818 58.200 0.015 0.000 1.003 425 S CB -0.703 62.504 63.200 0.011 0.000 0.813 425 S HN 0.792 nan 8.310 nan 0.000 0.477 426 I N -1.289 119.181 120.570 -0.167 0.000 3.334 426 I HA 0.030 4.156 4.170 -0.073 0.000 0.282 426 I C 0.702 176.587 176.117 -0.387 0.000 1.313 426 I CA 1.051 62.177 61.300 -0.289 0.000 1.396 426 I CB -0.374 37.405 38.000 -0.369 0.000 1.054 426 I HN 0.178 nan 8.210 nan 0.000 0.495 427 H N 1.316 120.397 119.070 0.018 0.000 2.550 427 H HA 0.315 4.827 4.556 -0.074 0.000 0.304 427 H C 0.612 175.952 175.328 0.020 0.000 1.086 427 H CA -0.226 55.833 56.048 0.018 0.000 1.089 427 H CB 0.078 29.851 29.762 0.017 0.000 1.528 427 H HN 0.293 nan 8.280 nan 0.000 0.539 428 S N 1.233 116.973 115.700 0.067 0.000 2.549 428 S HA 0.204 4.630 4.470 -0.073 0.000 0.286 428 S C 0.280 174.917 174.600 0.061 0.000 1.314 428 S CA -0.206 58.030 58.200 0.060 0.000 1.062 428 S CB 0.027 63.247 63.200 0.035 0.000 0.865 428 S HN 0.305 nan 8.310 nan 0.000 0.498 429 I N 3.272 123.877 120.570 0.058 0.000 2.569 429 I HA 0.213 4.339 4.170 -0.073 0.000 0.290 429 I C 0.036 176.179 176.117 0.042 0.000 1.088 429 I CA -0.631 60.698 61.300 0.050 0.000 1.047 429 I CB 2.136 40.166 38.000 0.051 0.000 1.237 429 I HN 0.563 nan 8.210 nan 0.000 0.421 430 S N 3.865 119.587 115.700 0.037 0.000 2.525 430 S HA 0.247 4.674 4.470 -0.073 0.000 0.285 430 S C -0.185 174.436 174.600 0.034 0.000 1.283 430 S CA 0.474 58.695 58.200 0.035 0.000 1.072 430 S CB 0.212 63.430 63.200 0.030 0.000 0.867 430 S HN 0.764 nan 8.310 nan 0.000 0.492 431 T N 3.172 117.747 114.554 0.036 0.000 2.654 431 T HA 0.414 4.720 4.350 -0.073 0.000 0.289 431 T C -0.386 174.334 174.700 0.035 0.000 1.062 431 T CA -0.158 61.962 62.100 0.034 0.000 1.041 431 T CB 0.814 69.702 68.868 0.035 0.000 1.417 431 T HN 0.894 nan 8.240 nan 0.000 0.510 432 N N 0.635 119.355 118.700 0.034 0.000 2.727 432 N HA -0.232 4.464 4.740 -0.073 0.000 0.251 432 N C 0.290 175.821 175.510 0.034 0.000 1.040 432 N CA 0.798 53.869 53.050 0.036 0.000 0.712 432 N CB -1.151 37.360 38.487 0.040 0.000 0.912 432 N HN 1.512 nan 8.380 nan 0.000 0.545 433 A N -0.547 122.290 122.820 0.028 0.000 2.783 433 A HA 0.004 4.280 4.320 -0.073 0.000 0.292 433 A C 1.341 178.941 177.584 0.027 0.000 1.495 433 A CA 2.069 54.121 52.037 0.025 0.000 0.787 433 A CB -2.266 16.748 19.000 0.023 0.000 1.017 433 A HN 2.272 nan 8.150 nan 0.000 0.516 434 A N -2.393 120.444 122.820 0.029 0.000 3.396 434 A HA -0.363 3.913 4.320 -0.073 0.000 0.267 434 A C 1.419 179.024 177.584 0.034 0.000 1.139 434 A CA 2.034 54.089 52.037 0.029 0.000 1.115 434 A CB -2.539 16.475 19.000 0.025 0.000 1.133 434 A HN 2.248 nan 8.150 nan 0.000 0.920 435 N N 0.094 118.817 118.700 0.038 0.000 2.142 435 N HA -0.101 4.595 4.740 -0.073 0.000 0.186 435 N C 0.988 176.529 175.510 0.052 0.000 1.023 435 N CA 1.894 54.970 53.050 0.045 0.000 0.852 435 N CB -0.188 38.329 38.487 0.050 0.000 0.998 435 N HN 0.754 nan 8.380 nan 0.000 0.424 436 Q N 0.595 120.426 119.800 0.050 0.000 3.091 436 Q HA 0.064 4.360 4.340 -0.073 0.000 0.301 436 Q C -0.398 175.633 176.000 0.053 0.000 1.337 436 Q CA -0.259 55.579 55.803 0.060 0.000 1.083 436 Q CB 0.498 29.266 28.738 0.051 0.000 1.477 436 Q HN 0.517 nan 8.270 nan 0.000 0.537 437 D N -0.364 120.065 120.400 0.048 0.000 2.348 437 D HA -0.080 4.517 4.640 -0.073 0.000 0.216 437 D C 0.645 176.968 176.300 0.040 0.000 0.970 437 D CA 0.405 54.429 54.000 0.040 0.000 0.889 437 D CB 0.092 40.911 40.800 0.032 0.000 0.912 437 D HN 0.210 nan 8.370 nan 0.000 0.524 438 V N -1.820 118.123 119.914 0.048 0.000 2.733 438 V HA 0.728 4.805 4.120 -0.073 0.000 0.306 438 V C -0.436 175.694 176.094 0.061 0.000 1.084 438 V CA -1.180 61.148 62.300 0.046 0.000 0.905 438 V CB 1.810 33.654 31.823 0.036 0.000 1.010 438 V HN 0.097 nan 8.190 nan 0.000 0.424 439 V N 1.229 121.178 119.914 0.059 0.000 2.962 439 V HA 0.796 4.872 4.120 -0.073 0.000 0.313 439 V C 1.099 177.230 176.094 0.062 0.000 1.099 439 V CA 0.273 62.615 62.300 0.070 0.000 0.971 439 V CB 1.507 33.368 31.823 0.065 0.000 1.028 439 V HN 1.326 nan 8.190 nan 0.000 0.430 440 S N 2.253 117.994 115.700 0.069 0.000 2.406 440 S HA 0.104 4.530 4.470 -0.073 0.000 0.224 440 S C 1.123 175.755 174.600 0.055 0.000 1.030 440 S CA 1.068 59.302 58.200 0.056 0.000 0.958 440 S CB -0.858 62.378 63.200 0.061 0.000 0.811 440 S HN 1.393 nan 8.310 nan 0.000 0.489 441 L N 0.430 121.689 121.223 0.060 0.000 4.040 441 L HA -0.187 4.109 4.340 -0.073 0.000 0.410 441 L C 1.455 178.359 176.870 0.056 0.000 1.187 441 L CA 0.005 54.881 54.840 0.060 0.000 0.956 441 L CB -2.279 39.825 42.059 0.074 0.000 2.022 441 L HN 0.535 nan 8.230 nan 0.000 0.897 442 G N -0.509 108.323 108.800 0.052 0.000 2.432 442 G HA2 -0.177 3.739 3.960 -0.073 0.000 0.219 442 G HA3 -0.177 3.739 3.960 -0.073 0.000 0.219 442 G C 1.273 176.200 174.900 0.046 0.000 1.135 442 G CA 1.343 46.471 45.100 0.047 0.000 0.767 442 G HN 0.463 nan 8.290 nan 0.000 0.550 443 T N 1.317 115.897 114.554 0.042 0.000 2.777 443 T HA -0.003 4.303 4.350 -0.073 0.000 0.266 443 T C 2.379 177.102 174.700 0.039 0.000 1.040 443 T CA 0.834 62.956 62.100 0.037 0.000 1.141 443 T CB -0.109 68.777 68.868 0.030 0.000 0.868 443 T HN 0.255 nan 8.240 nan 0.000 0.444 444 I N 1.612 122.207 120.570 0.042 0.000 2.226 444 I HA -0.164 3.962 4.170 -0.073 0.000 0.245 444 I C 2.990 179.138 176.117 0.050 0.000 1.100 444 I CA 1.077 62.403 61.300 0.043 0.000 1.374 444 I CB -0.509 37.518 38.000 0.046 0.000 1.057 444 I HN 0.208 nan 8.210 nan 0.000 0.413 445 A N 0.788 123.642 122.820 0.057 0.000 1.902 445 A HA -0.188 4.088 4.320 -0.073 0.000 0.217 445 A C 2.544 180.165 177.584 0.063 0.000 1.181 445 A CA 1.958 54.032 52.037 0.062 0.000 0.623 445 A CB -0.868 18.169 19.000 0.062 0.000 0.818 445 A HN 0.434 nan 8.150 nan 0.000 0.443 446 A N -0.425 122.433 122.820 0.063 0.000 1.933 446 A HA -0.142 4.134 4.320 -0.073 0.000 0.218 446 A C 2.245 179.867 177.584 0.064 0.000 1.175 446 A CA 1.497 53.577 52.037 0.073 0.000 0.628 446 A CB -0.424 18.618 19.000 0.070 0.000 0.814 446 A HN 0.551 nan 8.150 nan 0.000 0.444 447 R N -0.611 119.921 120.500 0.052 0.000 2.092 447 R HA 0.048 4.344 4.340 -0.073 0.000 0.231 447 R C 1.941 178.269 176.300 0.047 0.000 1.119 447 R CA 1.203 57.331 56.100 0.047 0.000 0.970 447 R CB -0.396 29.926 30.300 0.036 0.000 0.864 447 R HN 0.499 nan 8.270 nan 0.000 0.440 448 L N -0.359 120.892 121.223 0.046 0.000 2.156 448 L HA -0.183 4.113 4.340 -0.073 0.000 0.208 448 L C 2.702 179.600 176.870 0.046 0.000 1.095 448 L CA 0.636 55.503 54.840 0.044 0.000 0.770 448 L CB -0.455 41.631 42.059 0.045 0.000 0.914 448 L HN 0.357 nan 8.230 nan 0.000 0.439 449 C N 0.337 119.666 119.300 0.050 0.000 2.440 449 C HA -0.139 4.278 4.460 -0.073 0.000 0.278 449 C C 3.095 178.122 174.990 0.061 0.000 1.295 449 C CA 0.795 59.841 59.018 0.047 0.000 1.738 449 C CB -0.514 27.252 27.740 0.043 0.000 1.987 449 C HN 0.493 nan 8.230 nan 0.000 0.492 450 R N 1.324 121.864 120.500 0.066 0.000 2.073 450 R HA -0.074 4.223 4.340 -0.073 0.000 0.234 450 R C 2.110 178.457 176.300 0.078 0.000 1.134 450 R CA 2.017 58.164 56.100 0.077 0.000 0.952 450 R CB -0.853 29.491 30.300 0.073 0.000 0.850 450 R HN 0.520 nan 8.270 nan 0.000 0.433 451 E N 0.795 121.033 120.200 0.064 0.000 2.085 451 E HA -0.183 4.124 4.350 -0.073 0.000 0.194 451 E C 1.857 178.500 176.600 0.072 0.000 0.994 451 E CA 1.383 57.819 56.400 0.060 0.000 0.801 451 E CB -0.118 29.609 29.700 0.046 0.000 0.743 451 E HN 0.438 nan 8.360 nan 0.000 0.453 452 K N 0.295 120.737 120.400 0.070 0.000 2.097 452 K HA -0.031 4.245 4.320 -0.073 0.000 0.205 452 K C 2.301 178.988 176.600 0.145 0.000 1.050 452 K CA 0.791 57.124 56.287 0.077 0.000 0.938 452 K CB -0.131 32.392 32.500 0.038 0.000 0.718 452 K HN 0.097 nan 8.250 nan 0.000 0.442 453 I N 1.453 122.122 120.570 0.165 0.000 2.286 453 I HA -0.273 3.854 4.170 -0.073 0.000 0.248 453 I C 1.532 177.770 176.117 0.200 0.000 1.115 453 I CA 1.123 62.577 61.300 0.256 0.000 1.392 453 I CB -0.218 37.901 38.000 0.197 0.000 1.065 453 I HN 0.140 nan 8.210 nan 0.000 0.418 454 D N 0.537 121.014 120.400 0.129 0.000 2.144 454 D HA -0.112 4.484 4.640 -0.073 0.000 0.200 454 D C 2.331 178.685 176.300 0.090 0.000 0.978 454 D CA 0.863 54.915 54.000 0.086 0.000 0.833 454 D CB -0.185 40.655 40.800 0.066 0.000 0.961 454 D HN 0.166 nan 8.370 nan 0.000 0.470 455 R N -0.041 120.528 120.500 0.115 0.000 2.092 455 R HA -0.112 4.185 4.340 -0.073 0.000 0.231 455 R C 2.121 178.529 176.300 0.180 0.000 1.119 455 R CA 0.458 56.625 56.100 0.112 0.000 0.970 455 R CB -1.026 29.331 30.300 0.094 0.000 0.864 455 R HN 0.342 nan 8.270 nan 0.000 0.440 456 W N 1.866 123.165 121.300 -0.001 0.000 2.358 456 W HA -0.083 4.515 4.660 -0.104 0.000 0.303 456 W C 2.101 178.610 176.519 -0.017 0.000 1.208 456 W CA 1.408 58.753 57.345 -0.001 0.000 1.274 456 W CB -0.640 28.826 29.460 0.010 0.000 1.138 456 W HN 0.133 nan 8.180 nan 0.000 0.515 457 A N 0.112 122.928 122.820 -0.006 0.000 1.933 457 A HA -0.220 4.057 4.320 -0.073 0.000 0.218 457 A C 1.863 179.358 177.584 -0.149 0.000 1.175 457 A CA 1.959 53.875 52.037 -0.201 0.000 0.628 457 A CB -0.747 18.161 19.000 -0.153 0.000 0.814 457 A HN 0.453 nan 8.150 nan 0.000 0.444 458 E N -0.373 119.799 120.200 -0.047 0.000 2.106 458 E HA -0.084 4.223 4.350 -0.073 0.000 0.192 458 E C 1.829 178.410 176.600 -0.032 0.000 0.984 458 E CA 1.064 57.439 56.400 -0.043 0.000 0.806 458 E CB -0.221 29.479 29.700 -0.000 0.000 0.750 458 E HN 0.697 nan 8.360 nan 0.000 0.458 459 I N 0.785 121.373 120.570 0.029 0.000 2.252 459 I HA -0.264 3.862 4.170 -0.073 0.000 0.245 459 I C 2.208 178.332 176.117 0.013 0.000 1.102 459 I CA 0.936 62.271 61.300 0.057 0.000 1.385 459 I CB -0.139 37.953 38.000 0.153 0.000 1.064 459 I HN 0.124 nan 8.210 nan 0.000 0.414 460 L N 0.456 121.657 121.223 -0.037 0.000 2.083 460 L HA -0.189 4.108 4.340 -0.073 0.000 0.209 460 L C 2.842 179.605 176.870 -0.178 0.000 1.083 460 L CA 1.200 55.976 54.840 -0.107 0.000 0.752 460 L CB -0.645 41.258 42.059 -0.260 0.000 0.899 460 L HN 0.240 nan 8.230 nan 0.000 0.433 461 A N 0.378 123.061 122.820 -0.229 0.000 1.902 461 A HA -0.194 4.082 4.320 -0.073 0.000 0.217 461 A C 2.198 179.654 177.584 -0.213 0.000 1.181 461 A CA 1.558 53.426 52.037 -0.281 0.000 0.623 461 A CB -0.627 18.219 19.000 -0.258 0.000 0.818 461 A HN 0.355 nan 8.150 nan 0.000 0.443 462 I N -0.915 119.577 120.570 -0.131 0.000 2.179 462 I HA -0.227 3.899 4.170 -0.073 0.000 0.242 462 I C 2.438 178.464 176.117 -0.152 0.000 1.088 462 I CA 1.268 62.508 61.300 -0.101 0.000 1.357 462 I CB -0.333 37.648 38.000 -0.030 0.000 1.051 462 I HN 0.392 nan 8.210 nan 0.000 0.409 463 L N 1.348 122.508 121.223 -0.105 0.000 2.042 463 L HA -0.177 4.119 4.340 -0.073 0.000 0.210 463 L C 2.553 179.355 176.870 -0.113 0.000 1.076 463 L CA 2.155 56.941 54.840 -0.091 0.000 0.749 463 L CB -0.827 41.224 42.059 -0.014 0.000 0.893 463 L HN 0.197 nan 8.230 nan 0.000 0.432 464 A N -0.564 122.188 122.820 -0.113 0.000 1.902 464 A HA -0.172 4.105 4.320 -0.073 0.000 0.217 464 A C 2.273 179.777 177.584 -0.133 0.000 1.181 464 A CA 2.014 54.001 52.037 -0.083 0.000 0.623 464 A CB -0.886 18.028 19.000 -0.144 0.000 0.818 464 A HN 0.507 nan 8.150 nan 0.000 0.443 465 L N -0.903 120.191 121.223 -0.215 0.000 2.046 465 L HA -0.237 4.059 4.340 -0.073 0.000 0.208 465 L C 2.746 179.385 176.870 -0.386 0.000 1.077 465 L CA 1.252 55.968 54.840 -0.205 0.000 0.747 465 L CB -0.713 41.273 42.059 -0.121 0.000 0.896 465 L HN 0.492 nan 8.230 nan 0.000 0.432 466 C N -0.163 118.760 119.300 -0.628 0.000 2.429 466 C HA -0.147 4.270 4.460 -0.073 0.000 0.277 466 C C 2.753 177.551 174.990 -0.321 0.000 1.262 466 C CA 0.493 59.037 59.018 -0.791 0.000 1.733 466 C CB -0.766 26.631 27.740 -0.572 0.000 2.010 466 C HN 0.430 nan 8.230 nan 0.000 0.483 467 L N 0.859 121.977 121.223 -0.175 0.000 2.141 467 L HA -0.127 4.169 4.340 -0.073 0.000 0.209 467 L C 2.842 179.700 176.870 -0.019 0.000 1.094 467 L CA 1.382 56.186 54.840 -0.060 0.000 0.763 467 L CB -0.663 41.391 42.059 -0.009 0.000 0.908 467 L HN 0.346 nan 8.230 nan 0.000 0.437 468 A N -0.285 122.526 122.820 -0.016 0.000 1.877 468 A HA -0.288 3.988 4.320 -0.073 0.000 0.216 468 A C 2.210 179.825 177.584 0.052 0.000 1.186 468 A CA 1.932 53.992 52.037 0.038 0.000 0.620 468 A CB -0.500 18.536 19.000 0.060 0.000 0.822 468 A HN 0.416 nan 8.150 nan 0.000 0.443 469 Q N -0.369 119.465 119.800 0.057 0.000 2.046 469 Q HA 0.001 4.297 4.340 -0.073 0.000 0.200 469 Q C 2.063 178.105 176.000 0.069 0.000 0.975 469 Q CA 2.028 57.901 55.803 0.118 0.000 0.836 469 Q CB -0.499 28.408 28.738 0.282 0.000 0.896 469 Q HN 0.543 nan 8.270 nan 0.000 0.428 470 A N 0.380 123.215 122.820 0.024 0.000 1.933 470 A HA -0.088 4.188 4.320 -0.073 0.000 0.218 470 A C 2.278 179.874 177.584 0.020 0.000 1.175 470 A CA 1.762 53.808 52.037 0.015 0.000 0.628 470 A CB -1.142 17.852 19.000 -0.010 0.000 0.814 470 A HN 0.549 nan 8.150 nan 0.000 0.444 471 A N -0.044 122.791 122.820 0.024 0.000 1.898 471 A HA -0.162 4.114 4.320 -0.073 0.000 0.216 471 A C 1.910 179.512 177.584 0.030 0.000 1.181 471 A CA 1.590 53.645 52.037 0.029 0.000 0.620 471 A CB -0.507 18.515 19.000 0.035 0.000 0.819 471 A HN 0.641 nan 8.150 nan 0.000 0.442 472 E N -0.198 120.024 120.200 0.037 0.000 2.150 472 E HA -0.080 4.226 4.350 -0.073 0.000 0.193 472 E C 1.887 178.503 176.600 0.026 0.000 0.985 472 E CA 0.876 57.297 56.400 0.035 0.000 0.814 472 E CB -0.247 29.481 29.700 0.045 0.000 0.752 472 E HN 0.606 nan 8.360 nan 0.000 0.466 473 L N 0.417 121.655 121.223 0.024 0.000 2.109 473 L HA -0.123 4.173 4.340 -0.073 0.000 0.207 473 L C 2.626 179.499 176.870 0.006 0.000 1.086 473 L CA 0.834 55.681 54.840 0.010 0.000 0.760 473 L CB -0.116 41.946 42.059 0.006 0.000 0.910 473 L HN 0.014 nan 8.230 nan 0.000 0.437 474 R N -0.210 120.296 120.500 0.010 0.000 2.066 474 R HA -0.033 4.263 4.340 -0.073 0.000 0.224 474 R C 1.755 178.061 176.300 0.010 0.000 1.122 474 R CA 1.587 57.691 56.100 0.007 0.000 0.974 474 R CB -0.401 29.904 30.300 0.009 0.000 0.871 474 R HN 0.330 nan 8.270 nan 0.000 0.435 475 C N 0.440 119.748 119.300 0.014 0.000 2.974 475 C HA 0.654 5.070 4.460 -0.073 0.000 0.282 475 C C 0.614 175.614 174.990 0.016 0.000 1.292 475 C CA -0.374 58.653 59.018 0.015 0.000 1.710 475 C CB -0.846 26.905 27.740 0.018 0.000 2.036 475 C HN 0.750 nan 8.230 nan 0.000 0.629 476 G N 1.768 110.577 108.800 0.016 0.000 2.814 476 G HA2 -0.165 3.751 3.960 -0.073 0.000 0.677 476 G HA3 -0.165 3.751 3.960 -0.073 0.000 0.677 476 G C 0.742 175.654 174.900 0.021 0.000 1.429 476 G CA 0.063 45.173 45.100 0.016 0.000 0.868 476 G HN 0.792 nan 8.290 nan 0.000 0.553 477 S N -0.651 115.061 115.700 0.021 0.000 2.419 477 S HA 0.022 4.448 4.470 -0.073 0.000 0.235 477 S C 2.433 177.048 174.600 0.025 0.000 1.019 477 S CA 1.920 60.135 58.200 0.025 0.000 0.982 477 S CB -0.272 62.942 63.200 0.023 0.000 0.789 477 S HN 2.170 nan 8.310 nan 0.000 0.490 478 G N 0.889 109.701 108.800 0.021 0.000 2.744 478 G HA2 0.311 4.228 3.960 -0.073 0.000 0.211 478 G HA3 0.311 4.228 3.960 -0.073 0.000 0.211 478 G C 0.562 175.475 174.900 0.021 0.000 1.143 478 G CA 0.024 45.135 45.100 0.019 0.000 0.788 478 G HN 0.611 nan 8.290 nan 0.000 0.534 479 L N 0.874 122.110 121.223 0.023 0.000 3.597 479 L HA -0.139 4.157 4.340 -0.073 0.000 0.440 479 L C -0.920 175.963 176.870 0.021 0.000 1.277 479 L CA -0.143 54.711 54.840 0.024 0.000 0.852 479 L CB -1.685 40.391 42.059 0.028 0.000 1.708 479 L HN 0.213 nan 8.230 nan 0.000 0.885 480 D N 1.360 121.770 120.400 0.018 0.000 2.417 480 D HA 0.305 4.901 4.640 -0.073 0.000 0.250 480 D C 1.343 177.653 176.300 0.016 0.000 1.166 480 D CA 1.384 55.394 54.000 0.016 0.000 0.881 480 D CB 1.366 42.173 40.800 0.013 0.000 1.164 480 D HN 0.550 nan 8.370 nan 0.000 0.467 481 G N 1.551 110.361 108.800 0.016 0.000 2.217 481 G HA2 -0.276 3.640 3.960 -0.073 0.000 0.246 481 G HA3 -0.276 3.640 3.960 -0.073 0.000 0.246 481 G C 0.450 175.361 174.900 0.019 0.000 0.990 481 G CA 0.019 45.129 45.100 0.016 0.000 0.627 481 G HN 0.513 nan 8.290 nan 0.000 0.522 482 V N 2.744 122.671 119.914 0.022 0.000 2.637 482 V HA 0.488 4.564 4.120 -0.073 0.000 0.296 482 V C 1.494 177.604 176.094 0.025 0.000 1.046 482 V CA 0.159 62.474 62.300 0.026 0.000 1.066 482 V CB 1.309 33.149 31.823 0.028 0.000 0.968 482 V HN 1.063 nan 8.190 nan 0.000 0.483 483 S N 5.314 121.032 115.700 0.029 0.000 2.569 483 S HA 0.104 4.531 4.470 -0.073 0.000 0.274 483 S C -1.700 172.913 174.600 0.021 0.000 1.353 483 S CA -0.560 57.656 58.200 0.027 0.000 1.023 483 S CB 0.355 63.576 63.200 0.035 0.000 0.876 483 S HN 0.583 nan 8.310 nan 0.000 0.540 484 P HA -0.031 nan 4.420 nan 0.000 0.216 484 P C 1.655 178.959 177.300 0.008 0.000 1.153 484 P CA 1.890 64.997 63.100 0.011 0.000 0.848 484 P CB -0.257 31.448 31.700 0.008 0.000 0.787 485 A N -0.189 122.633 122.820 0.004 0.000 1.902 485 A HA -0.082 4.194 4.320 -0.073 0.000 0.217 485 A C 2.489 180.071 177.584 -0.003 0.000 1.181 485 A CA 2.086 54.117 52.037 -0.010 0.000 0.623 485 A CB -1.903 17.086 19.000 -0.017 0.000 0.818 485 A HN 0.268 nan 8.150 nan 0.000 0.443 486 G N -0.310 108.498 108.800 0.014 0.000 2.421 486 G HA2 -0.241 3.675 3.960 -0.073 0.000 0.216 486 G HA3 -0.241 3.675 3.960 -0.073 0.000 0.216 486 G C 1.689 176.608 174.900 0.031 0.000 1.171 486 G CA 1.154 46.270 45.100 0.026 0.000 0.775 486 G HN 0.573 nan 8.290 nan 0.000 0.543 487 K N 0.194 120.611 120.400 0.027 0.000 2.026 487 K HA -0.060 4.216 4.320 -0.073 0.000 0.208 487 K C 2.455 179.075 176.600 0.033 0.000 1.048 487 K CA 1.339 57.644 56.287 0.030 0.000 0.929 487 K CB -0.153 32.362 32.500 0.024 0.000 0.713 487 K HN 0.246 nan 8.250 nan 0.000 0.439 488 K N 1.363 121.777 120.400 0.023 0.000 2.032 488 K HA -0.154 4.122 4.320 -0.073 0.000 0.209 488 K C 2.164 178.788 176.600 0.040 0.000 1.048 488 K CA 1.117 57.418 56.287 0.024 0.000 0.927 488 K CB -0.136 32.368 32.500 0.007 0.000 0.712 488 K HN 0.099 nan 8.250 nan 0.000 0.441 489 L N 0.597 121.841 121.223 0.034 0.000 1.994 489 L HA -0.196 4.100 4.340 -0.073 0.000 0.208 489 L C 2.106 179.046 176.870 0.117 0.000 1.071 489 L CA 1.279 56.160 54.840 0.068 0.000 0.745 489 L CB -0.214 41.867 42.059 0.037 0.000 0.892 489 L HN 0.040 nan 8.230 nan 0.000 0.431 490 V N -0.077 119.892 119.914 0.092 0.000 2.295 490 V HA -0.328 3.748 4.120 -0.073 0.000 0.246 490 V C 2.483 178.634 176.094 0.095 0.000 1.049 490 V CA 2.121 64.478 62.300 0.096 0.000 1.024 490 V CB -0.725 31.142 31.823 0.072 0.000 0.648 490 V HN 0.558 nan 8.190 nan 0.000 0.447 491 Q N -0.112 119.733 119.800 0.074 0.000 2.084 491 Q HA -0.174 4.122 4.340 -0.073 0.000 0.202 491 Q C 2.448 178.493 176.000 0.074 0.000 0.978 491 Q CA 1.747 57.588 55.803 0.064 0.000 0.844 491 Q CB -0.450 28.316 28.738 0.046 0.000 0.898 491 Q HN 0.676 nan 8.270 nan 0.000 0.426 492 A N 1.000 123.873 122.820 0.088 0.000 1.902 492 A HA -0.169 4.107 4.320 -0.073 0.000 0.217 492 A C 2.084 179.744 177.584 0.128 0.000 1.181 492 A CA 1.159 53.255 52.037 0.100 0.000 0.623 492 A CB -0.676 18.401 19.000 0.128 0.000 0.818 492 A HN 0.281 nan 8.150 nan 0.000 0.443 493 L N -1.192 120.139 121.223 0.180 0.000 2.056 493 L HA -0.138 4.159 4.340 -0.073 0.000 0.207 493 L C 2.676 179.697 176.870 0.252 0.000 1.078 493 L CA 0.915 55.912 54.840 0.262 0.000 0.749 493 L CB -0.439 41.756 42.059 0.226 0.000 0.901 493 L HN 0.251 nan 8.230 nan 0.000 0.433 494 R N 0.061 120.655 120.500 0.157 0.000 2.241 494 R HA -0.168 4.128 4.340 -0.073 0.000 0.224 494 R C 1.927 178.257 176.300 0.051 0.000 1.101 494 R CA 0.723 56.892 56.100 0.115 0.000 0.995 494 R CB -0.342 30.009 30.300 0.085 0.000 0.870 494 R HN 0.311 nan 8.270 nan 0.000 0.463 495 E N 0.481 120.698 120.200 0.028 0.000 2.204 495 E HA -0.125 4.181 4.350 -0.073 0.000 0.194 495 E C 1.200 177.735 176.600 -0.108 0.000 0.989 495 E CA 1.193 57.577 56.400 -0.027 0.000 0.824 495 E CB 0.298 29.985 29.700 -0.022 0.000 0.756 495 E HN 0.153 nan 8.360 nan 0.000 0.477 496 Q N -1.470 118.216 119.800 -0.190 0.000 2.288 496 Q HA 0.172 4.469 4.340 -0.073 0.000 0.256 496 Q C -0.499 175.065 176.000 -0.726 0.000 0.835 496 Q CA 0.160 55.663 55.803 -0.501 0.000 0.958 496 Q CB 0.794 29.087 28.738 -0.741 0.000 1.125 496 Q HN 0.158 nan 8.270 nan 0.000 0.513 497 F N 2.170 122.116 119.950 -0.007 0.000 2.434 497 F HA 0.438 4.924 4.527 -0.069 0.000 0.355 497 F C -2.168 173.648 175.800 0.027 0.000 1.115 497 F CA -2.576 55.431 58.000 0.011 0.000 1.010 497 F CB 1.428 40.439 39.000 0.019 0.000 1.234 497 F HN -0.203 nan 8.300 nan 0.000 0.439 498 P HA 0.199 nan 4.420 nan 0.000 0.272 498 P C -2.465 174.910 177.300 0.125 0.000 1.230 498 P CA -1.028 62.131 63.100 0.098 0.000 0.788 498 P CB 0.165 31.896 31.700 0.053 0.000 0.949 499 P HA 0.068 nan 4.420 nan 0.000 0.271 499 P C -0.695 176.654 177.300 0.082 0.000 1.233 499 P CA -0.061 63.102 63.100 0.106 0.000 0.789 499 P CB 0.277 32.023 31.700 0.077 0.000 0.951 500 L N 1.930 123.202 121.223 0.081 0.000 2.352 500 L HA 0.158 4.455 4.340 -0.073 0.000 0.272 500 L C 0.900 177.768 176.870 -0.003 0.000 1.109 500 L CA 0.557 55.391 54.840 -0.010 0.000 0.952 500 L CB -0.647 41.311 42.059 -0.168 0.000 1.314 500 L HN 0.307 nan 8.230 nan 0.000 0.427 501 E N 1.100 121.304 120.200 0.007 0.000 2.371 501 E HA 0.039 4.345 4.350 -0.073 0.000 0.194 501 E C 0.211 176.817 176.600 0.010 0.000 1.012 501 E CA 0.373 56.781 56.400 0.013 0.000 0.860 501 E CB 0.347 30.056 29.700 0.016 0.000 0.811 501 E HN 0.558 nan 8.360 nan 0.000 0.502 502 T N 0.413 114.963 114.554 -0.007 0.000 2.942 502 T HA 0.091 4.397 4.350 -0.073 0.000 0.327 502 T C -1.857 172.818 174.700 -0.042 0.000 1.360 502 T CA -0.968 61.127 62.100 -0.008 0.000 1.055 502 T CB 1.392 70.259 68.868 -0.002 0.000 1.261 502 T HN -0.220 nan 8.240 nan 0.000 0.485 503 D N 3.079 123.450 120.400 -0.048 0.000 2.533 503 D HA 0.308 4.904 4.640 -0.073 0.000 0.236 503 D C 0.640 176.899 176.300 -0.069 0.000 1.137 503 D CA 0.717 54.668 54.000 -0.082 0.000 0.867 503 D CB 0.349 41.108 40.800 -0.069 0.000 1.170 503 D HN 0.684 nan 8.370 nan 0.000 0.474 504 R N 0.645 121.094 120.500 -0.085 0.000 2.734 504 R HA 0.667 4.964 4.340 -0.073 0.000 0.271 504 R C -3.102 173.167 176.300 -0.052 0.000 1.021 504 R CA -1.767 54.301 56.100 -0.053 0.000 0.893 504 R CB 0.286 30.564 30.300 -0.036 0.000 1.244 504 R HN 0.001 nan 8.270 nan 0.000 0.464 505 P HA 0.158 nan 4.420 nan 0.000 0.271 505 P C -0.316 176.983 177.300 -0.001 0.000 1.220 505 P CA -0.268 62.823 63.100 -0.016 0.000 0.768 505 P CB 0.622 32.318 31.700 -0.007 0.000 0.848 506 L N 1.631 122.857 121.223 0.005 0.000 2.731 506 L HA 0.177 4.473 4.340 -0.073 0.000 0.240 506 L C 2.293 179.189 176.870 0.042 0.000 1.120 506 L CA 0.355 55.216 54.840 0.034 0.000 0.913 506 L CB -0.305 41.782 42.059 0.046 0.000 1.213 506 L HN 0.532 nan 8.230 nan 0.000 0.515 507 G N 0.287 109.104 108.800 0.029 0.000 2.529 507 G HA2 -0.310 3.606 3.960 -0.073 0.000 0.219 507 G HA3 -0.310 3.606 3.960 -0.073 0.000 0.219 507 G C 1.395 176.315 174.900 0.033 0.000 1.177 507 G CA 0.765 45.881 45.100 0.026 0.000 0.773 507 G HN 0.380 nan 8.290 nan 0.000 0.573 508 Q N -0.120 119.705 119.800 0.041 0.000 2.119 508 Q HA -0.077 4.220 4.340 -0.073 0.000 0.201 508 Q C 2.518 178.572 176.000 0.091 0.000 0.972 508 Q CA 1.269 57.103 55.803 0.053 0.000 0.847 508 Q CB -0.105 28.660 28.738 0.045 0.000 0.903 508 Q HN 0.634 nan 8.270 nan 0.000 0.433 509 E N 0.627 120.900 120.200 0.121 0.000 2.072 509 E HA -0.141 4.165 4.350 -0.073 0.000 0.191 509 E C 1.983 178.619 176.600 0.060 0.000 0.985 509 E CA 0.728 57.261 56.400 0.223 0.000 0.801 509 E CB -0.026 29.829 29.700 0.257 0.000 0.750 509 E HN 0.321 nan 8.360 nan 0.000 0.452 510 I N 1.177 121.746 120.570 -0.003 0.000 2.163 510 I HA -0.309 3.817 4.170 -0.073 0.000 0.243 510 I C 2.547 178.634 176.117 -0.050 0.000 1.085 510 I CA 1.109 62.370 61.300 -0.065 0.000 1.347 510 I CB -0.329 37.657 38.000 -0.023 0.000 1.044 510 I HN 0.103 nan 8.210 nan 0.000 0.408 511 A N 0.653 123.473 122.820 0.001 0.000 1.902 511 A HA -0.168 4.108 4.320 -0.073 0.000 0.217 511 A C 2.542 180.141 177.584 0.026 0.000 1.181 511 A CA 1.905 53.947 52.037 0.009 0.000 0.623 511 A CB -0.882 18.131 19.000 0.023 0.000 0.818 511 A HN 0.442 nan 8.150 nan 0.000 0.443 512 A N -0.651 122.215 122.820 0.077 0.000 1.902 512 A HA -0.035 4.241 4.320 -0.073 0.000 0.217 512 A C 2.128 179.801 177.584 0.149 0.000 1.181 512 A CA 1.768 53.886 52.037 0.133 0.000 0.623 512 A CB -0.592 18.539 19.000 0.219 0.000 0.818 512 A HN 0.662 nan 8.150 nan 0.000 0.443 513 L N -0.310 120.955 121.223 0.071 0.000 2.093 513 L HA 0.018 4.315 4.340 -0.073 0.000 0.208 513 L C 2.650 179.437 176.870 -0.137 0.000 1.085 513 L CA 1.964 56.751 54.840 -0.090 0.000 0.755 513 L CB -0.873 40.871 42.059 -0.525 0.000 0.904 513 L HN 0.345 nan 8.230 nan 0.000 0.435 514 A N -1.476 121.262 122.820 -0.135 0.000 1.908 514 A HA -0.234 4.043 4.320 -0.073 0.000 0.218 514 A C 2.267 179.789 177.584 -0.103 0.000 1.181 514 A CA 2.382 54.329 52.037 -0.150 0.000 0.627 514 A CB -1.234 17.710 19.000 -0.093 0.000 0.818 514 A HN 0.496 nan 8.150 nan 0.000 0.445 515 T N -1.453 113.085 114.554 -0.026 0.000 2.788 515 T HA -0.163 4.143 4.350 -0.073 0.000 0.268 515 T C 1.857 176.566 174.700 0.015 0.000 1.044 515 T CA 1.904 64.009 62.100 0.008 0.000 1.139 515 T CB -0.382 68.510 68.868 0.041 0.000 0.867 515 T HN 0.804 nan 8.240 nan 0.000 0.454 516 H N 1.145 120.170 119.070 -0.075 0.000 2.326 516 H HA 0.130 4.642 4.556 -0.073 0.000 0.301 516 H C 1.988 177.229 175.328 -0.146 0.000 1.081 516 H CA 1.176 57.182 56.048 -0.071 0.000 1.334 516 H CB -0.520 29.224 29.762 -0.030 0.000 1.385 516 H HN 0.240 nan 8.280 nan 0.000 0.504 517 L N -0.006 120.989 121.223 -0.380 0.000 2.127 517 L HA -0.169 4.127 4.340 -0.073 0.000 0.211 517 L C 2.252 178.934 176.870 -0.312 0.000 1.089 517 L CA 0.949 55.410 54.840 -0.632 0.000 0.757 517 L CB -0.460 41.060 42.059 -0.898 0.000 0.899 517 L HN 0.333 nan 8.230 nan 0.000 0.434 518 L N -0.857 120.241 121.223 -0.208 0.000 2.291 518 L HA -0.140 4.156 4.340 -0.073 0.000 0.214 518 L C 2.176 179.019 176.870 -0.046 0.000 1.120 518 L CA 0.932 55.724 54.840 -0.080 0.000 0.799 518 L CB -0.159 41.889 42.059 -0.019 0.000 0.925 518 L HN 0.366 nan 8.230 nan 0.000 0.446 519 Q N -1.535 118.149 119.800 -0.193 0.000 2.316 519 Q HA 0.193 4.489 4.340 -0.073 0.000 0.235 519 Q C -0.005 175.558 176.000 -0.729 0.000 0.863 519 Q CA 0.066 55.726 55.803 -0.238 0.000 0.939 519 Q CB 1.044 29.759 28.738 -0.040 0.000 1.108 519 Q HN 0.424 nan 8.270 nan 0.000 0.522 520 Q N -0.113 119.209 119.800 -0.797 0.000 2.379 520 Q HA 0.477 4.773 4.340 -0.073 0.000 0.278 520 Q C -1.263 174.589 176.000 -0.246 0.000 1.068 520 Q CA -0.417 54.988 55.803 -0.664 0.000 0.816 520 Q CB 2.716 31.209 28.738 -0.408 0.000 1.387 520 Q HN -0.060 nan 8.270 nan 0.000 0.413 521 S N 2.073 117.713 115.700 -0.100 0.000 2.651 521 S HA 0.531 4.957 4.470 -0.073 0.000 0.291 521 S C -2.414 171.967 174.600 -0.365 0.000 1.141 521 S CA -1.176 56.930 58.200 -0.157 0.000 1.027 521 S CB 0.954 64.121 63.200 -0.054 0.000 1.043 521 S HN 0.412 nan 8.310 nan 0.000 0.530 522 P HA 0.226 nan 4.420 nan 0.000 0.271 522 P C -0.682 176.412 177.300 -0.343 0.000 1.380 522 P CA -0.047 62.617 63.100 -0.727 0.000 0.992 522 P CB -0.114 30.865 31.700 -1.202 0.000 1.230 523 V N 0.000 119.812 119.914 -0.170 0.000 2.409 523 V HA 0.000 4.076 4.120 -0.073 0.000 0.244 523 V CA 0.000 62.241 62.300 -0.099 0.000 1.235 523 V CB 0.000 31.778 31.823 -0.076 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556