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 2o78_1_A DATA FIRST_RESID 7 DATA SEQUENCE PKPAVELDRH IDLDQAHAVA SGGARIVLAP PARDRCRASE ARLGAVIREA DATA SEQUENCE RHVYGLTTGF GPLANRLISG ENVRTLQANL VHFLASGVGP VLDWTTARAM DATA SEQUENCE VLARLVSIAQ GASGASEGTI ARLIDLLNSE LAPAVPSRGT VGXXXDLTPL DATA SEQUENCE AHMVLCLQGR GDFLDRDGTR LDGAEGLRRG RLQPLDLSHR DALALVNGTS DATA SEQUENCE AMTGIALVNA HACRHLGNWA VALTALLAEC LRGRTEAWAA ALSDLRPHPG DATA SEQUENCE QKDAAARLRA RVDGSARVVR HVIAERRLDA GDIGTEPEAG QDAYSLRCAP DATA SEQUENCE QVLGAGFDTL AWHDRVLTIE LNAVTDNPVF PPDGSVPALH GGNFMGQHVA DATA SEQUENCE LTSDALATAV TVLAGLAERQ IARLTDERLN RGLPPFLHRG PAGLNSGFMG DATA SEQUENCE AQVTATALLA EMRATGPASI HSISTNAANQ DVVSLGTIAA RLCREKIDRW DATA SEQUENCE AEILAILALC LAQAAELRCG SGLDGVSPAG KKLVQALREQ FPPLETDRPL DATA SEQUENCE GQEIAALATH LLQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.309 177.300 0.015 0.000 1.155 7 P CA 0.000 63.108 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 2.599 123.010 120.400 0.018 0.000 2.378 8 K HA -0.075 4.208 4.320 -0.061 0.000 0.250 8 K C -1.827 174.785 176.600 0.019 0.000 1.125 8 K CA -0.154 56.145 56.287 0.021 0.000 1.192 8 K CB -0.004 32.510 32.500 0.023 0.000 0.751 8 K HN 0.165 nan 8.250 nan 0.000 0.502 9 P HA -0.001 nan 4.420 nan 0.000 0.269 9 P C -1.395 175.914 177.300 0.015 0.000 1.217 9 P CA -0.073 63.039 63.100 0.019 0.000 0.783 9 P CB 0.929 32.643 31.700 0.024 0.000 0.898 10 A N 1.468 124.295 122.820 0.011 0.000 2.374 10 A HA 0.535 4.819 4.320 -0.061 0.000 0.305 10 A C -1.031 176.556 177.584 0.005 0.000 1.053 10 A CA -0.586 51.455 52.037 0.007 0.000 0.726 10 A CB 1.129 20.132 19.000 0.005 0.000 1.229 10 A HN 0.304 nan 8.150 nan 0.000 0.431 11 V N 2.542 122.456 119.914 -0.000 0.000 2.350 11 V HA 0.272 4.355 4.120 -0.061 0.000 0.276 11 V C 0.344 176.435 176.094 -0.006 0.000 1.028 11 V CA -0.295 62.003 62.300 -0.003 0.000 0.860 11 V CB 1.164 32.981 31.823 -0.011 0.000 0.990 11 V HN 0.948 nan 8.190 nan 0.000 0.453 12 E N 4.699 124.898 120.200 -0.001 0.000 2.089 12 E HA 0.332 4.646 4.350 -0.061 0.000 0.284 12 E C -0.878 175.720 176.600 -0.002 0.000 1.023 12 E CA -0.775 55.624 56.400 -0.001 0.000 0.819 12 E CB 1.150 30.851 29.700 0.003 0.000 1.076 12 E HN 0.559 nan 8.360 nan 0.000 0.396 13 L N 5.355 126.573 121.223 -0.008 0.000 2.281 13 L HA 0.264 4.567 4.340 -0.061 0.000 0.285 13 L C -0.129 176.739 176.870 -0.003 0.000 1.074 13 L CA 0.507 55.340 54.840 -0.011 0.000 0.817 13 L CB 1.232 43.279 42.059 -0.021 0.000 1.168 13 L HN 0.726 nan 8.230 nan 0.000 0.434 14 D N 2.939 123.342 120.400 0.006 0.000 3.061 14 D HA 0.187 4.790 4.640 -0.061 0.000 0.243 14 D C 1.348 177.657 176.300 0.015 0.000 1.572 14 D CA 0.788 54.795 54.000 0.011 0.000 1.269 14 D CB 0.669 41.480 40.800 0.018 0.000 1.023 14 D HN 0.567 nan 8.370 nan 0.000 0.280 15 R N -1.740 118.781 120.500 0.034 0.000 2.197 15 R HA 0.221 4.525 4.340 -0.061 0.000 0.188 15 R C 0.226 176.570 176.300 0.073 0.000 1.015 15 R CA -0.170 55.957 56.100 0.045 0.000 1.132 15 R CB 0.301 30.632 30.300 0.051 0.000 1.134 15 R HN 0.222 nan 8.270 nan 0.000 0.560 16 H N 0.240 119.302 119.070 -0.012 0.000 2.472 16 H HA 0.555 5.075 4.556 -0.061 0.000 0.338 16 H C -1.318 174.003 175.328 -0.011 0.000 1.133 16 H CA -0.596 55.444 56.048 -0.013 0.000 1.216 16 H CB 1.333 31.088 29.762 -0.013 0.000 1.497 16 H HN 0.036 nan 8.280 nan 0.000 0.500 17 I N 4.404 124.635 120.570 -0.564 0.000 2.569 17 I HA 0.235 4.369 4.170 -0.061 0.000 0.290 17 I C -1.169 174.671 176.117 -0.461 0.000 1.088 17 I CA -0.872 60.230 61.300 -0.331 0.000 1.047 17 I CB 1.429 39.322 38.000 -0.179 0.000 1.237 17 I HN 0.846 nan 8.210 nan 0.000 0.421 18 D N 6.193 126.477 120.400 -0.193 0.000 2.411 18 D HA 0.184 4.787 4.640 -0.061 0.000 0.251 18 D C 1.030 177.298 176.300 -0.052 0.000 1.201 18 D CA -0.517 53.432 54.000 -0.084 0.000 0.996 18 D CB 0.927 41.754 40.800 0.045 0.000 1.101 18 D HN 0.509 nan 8.370 nan 0.000 0.504 19 L N -0.403 120.816 121.223 -0.006 0.000 2.131 19 L HA -0.143 4.161 4.340 -0.061 0.000 0.210 19 L C 1.507 178.414 176.870 0.062 0.000 1.092 19 L CA 1.335 56.191 54.840 0.026 0.000 0.759 19 L CB -0.487 41.602 42.059 0.049 0.000 0.903 19 L HN 0.448 nan 8.230 nan 0.000 0.435 20 D N -0.145 120.292 120.400 0.061 0.000 2.097 20 D HA -0.165 4.438 4.640 -0.061 0.000 0.197 20 D C 2.328 178.668 176.300 0.066 0.000 0.984 20 D CA 1.080 55.131 54.000 0.085 0.000 0.826 20 D CB -0.120 40.724 40.800 0.072 0.000 0.973 20 D HN 0.402 nan 8.370 nan 0.000 0.460 21 Q N 0.455 120.274 119.800 0.032 0.000 2.084 21 Q HA -0.077 4.226 4.340 -0.061 0.000 0.202 21 Q C 2.214 178.211 176.000 -0.005 0.000 0.978 21 Q CA 1.384 57.194 55.803 0.012 0.000 0.844 21 Q CB -0.112 28.622 28.738 -0.007 0.000 0.898 21 Q HN 0.199 nan 8.270 nan 0.000 0.426 22 A N 0.876 123.689 122.820 -0.012 0.000 1.902 22 A HA -0.239 4.045 4.320 -0.061 0.000 0.217 22 A C 1.963 179.526 177.584 -0.035 0.000 1.181 22 A CA 1.608 53.626 52.037 -0.032 0.000 0.623 22 A CB -0.796 18.184 19.000 -0.033 0.000 0.818 22 A HN 0.440 nan 8.150 nan 0.000 0.443 23 H N -0.073 118.945 119.070 -0.087 0.000 2.428 23 H HA 0.059 4.580 4.556 -0.058 0.000 0.296 23 H C 2.231 177.477 175.328 -0.138 0.000 1.062 23 H CA 1.358 57.316 56.048 -0.150 0.000 1.350 23 H CB -0.131 29.453 29.762 -0.296 0.000 1.403 23 H HN 0.410 nan 8.280 nan 0.000 0.533 24 A N 0.435 123.255 122.820 0.000 0.000 1.902 24 A HA -0.103 4.180 4.320 -0.061 0.000 0.217 24 A C 2.794 180.345 177.584 -0.055 0.000 1.181 24 A CA 1.645 53.684 52.037 0.003 0.000 0.623 24 A CB -0.776 18.245 19.000 0.034 0.000 0.818 24 A HN 0.284 nan 8.150 nan 0.000 0.443 25 V N -0.383 119.485 119.914 -0.077 0.000 2.346 25 V HA -0.143 3.940 4.120 -0.061 0.000 0.244 25 V C 3.045 179.044 176.094 -0.158 0.000 1.037 25 V CA 1.680 63.927 62.300 -0.089 0.000 1.029 25 V CB -1.266 30.509 31.823 -0.079 0.000 0.663 25 V HN 0.589 nan 8.190 nan 0.000 0.454 26 A N 0.989 123.675 122.820 -0.224 0.000 1.940 26 A HA -0.215 4.069 4.320 -0.061 0.000 0.219 26 A C 2.387 179.750 177.584 -0.369 0.000 1.176 26 A CA 2.350 54.198 52.037 -0.315 0.000 0.631 26 A CB -0.716 18.098 19.000 -0.310 0.000 0.814 26 A HN 0.698 nan 8.150 nan 0.000 0.446 27 S N -1.951 113.553 115.700 -0.326 0.000 2.603 27 S HA 0.372 4.805 4.470 -0.061 0.000 0.220 27 S C 1.382 176.111 174.600 0.216 0.000 0.967 27 S CA 1.023 59.184 58.200 -0.065 0.000 0.920 27 S CB -0.357 62.725 63.200 -0.196 0.000 0.773 27 S HN 1.965 nan 8.310 nan 0.000 0.529 28 G N 0.395 109.245 108.800 0.084 0.000 2.148 28 G HA2 -0.213 3.710 3.960 -0.061 0.000 0.254 28 G HA3 -0.213 3.710 3.960 -0.061 0.000 0.254 28 G C 0.812 175.783 174.900 0.118 0.000 0.981 28 G CA 0.102 45.312 45.100 0.184 0.000 0.670 28 G HN 0.982 nan 8.290 nan 0.000 0.528 29 G N -0.590 108.253 108.800 0.073 0.000 2.712 29 G HA2 0.590 4.514 3.960 -0.061 0.000 0.212 29 G HA3 0.590 4.514 3.960 -0.061 0.000 0.212 29 G C 0.593 175.520 174.900 0.045 0.000 1.142 29 G CA 1.648 46.786 45.100 0.065 0.000 0.789 29 G HN 1.836 nan 8.290 nan 0.000 0.535 30 A N -0.364 122.473 122.820 0.028 0.000 2.549 30 A HA 0.764 5.048 4.320 -0.061 0.000 0.297 30 A C -0.281 177.307 177.584 0.007 0.000 1.061 30 A CA -0.831 51.217 52.037 0.018 0.000 0.690 30 A CB 1.500 20.507 19.000 0.013 0.000 1.287 30 A HN 0.186 nan 8.150 nan 0.000 0.402 31 R N 0.151 120.656 120.500 0.007 0.000 2.577 31 R HA 0.631 4.934 4.340 -0.061 0.000 0.269 31 R C -0.677 175.617 176.300 -0.009 0.000 1.084 31 R CA -0.328 55.772 56.100 0.000 0.000 1.163 31 R CB 1.105 31.408 30.300 0.004 0.000 1.100 31 R HN 0.686 nan 8.270 nan 0.000 0.547 32 I N 0.928 121.489 120.570 -0.015 0.000 2.509 32 I HA 0.411 4.545 4.170 -0.061 0.000 0.293 32 I C -1.355 174.753 176.117 -0.015 0.000 1.020 32 I CA -0.880 60.409 61.300 -0.019 0.000 1.088 32 I CB 1.919 39.900 38.000 -0.031 0.000 1.267 32 I HN 0.277 nan 8.210 nan 0.000 0.430 33 V N 7.830 127.737 119.914 -0.013 0.000 2.925 33 V HA 0.512 4.596 4.120 -0.061 0.000 0.311 33 V C -1.456 174.631 176.094 -0.011 0.000 1.104 33 V CA -0.693 61.601 62.300 -0.010 0.000 0.954 33 V CB 2.217 34.036 31.823 -0.006 0.000 1.022 33 V HN 0.635 nan 8.190 nan 0.000 0.427 34 L N 5.825 127.042 121.223 -0.011 0.000 2.265 34 L HA 0.786 5.090 4.340 -0.061 0.000 0.288 34 L C 0.684 177.550 176.870 -0.007 0.000 1.058 34 L CA 0.549 55.383 54.840 -0.010 0.000 0.809 34 L CB 0.918 42.970 42.059 -0.013 0.000 1.179 34 L HN 0.917 nan 8.230 nan 0.000 0.429 35 A N 6.802 129.619 122.820 -0.004 0.000 2.425 35 A HA 0.370 4.654 4.320 -0.061 0.000 0.242 35 A C -1.598 175.985 177.584 -0.002 0.000 1.077 35 A CA -0.736 51.301 52.037 -0.001 0.000 0.781 35 A CB -0.385 18.616 19.000 0.002 0.000 1.020 35 A HN 0.782 nan 8.150 nan 0.000 0.494 36 P HA -0.172 nan 4.420 nan 0.000 0.216 36 P C -1.306 175.993 177.300 -0.001 0.000 1.157 36 P CA 2.097 65.196 63.100 -0.002 0.000 0.880 36 P CB -0.696 31.003 31.700 -0.001 0.000 0.791 37 P HA -0.119 nan 4.420 nan 0.000 0.219 37 P C 1.261 178.561 177.300 0.001 0.000 1.150 37 P CA 1.784 64.885 63.100 0.002 0.000 0.814 37 P CB -0.389 31.314 31.700 0.004 0.000 0.787 38 A N 0.674 123.494 122.820 0.000 0.000 1.897 38 A HA -0.140 4.144 4.320 -0.061 0.000 0.215 38 A C 2.559 180.141 177.584 -0.004 0.000 1.181 38 A CA 1.215 53.252 52.037 -0.001 0.000 0.620 38 A CB -1.251 17.748 19.000 -0.002 0.000 0.821 38 A HN 0.029 nan 8.150 nan 0.000 0.443 39 R N -0.209 120.287 120.500 -0.006 0.000 2.091 39 R HA -0.180 4.124 4.340 -0.061 0.000 0.238 39 R C 1.251 177.545 176.300 -0.010 0.000 1.136 39 R CA 1.967 58.061 56.100 -0.010 0.000 0.959 39 R CB -0.360 29.934 30.300 -0.010 0.000 0.856 39 R HN 0.453 nan 8.270 nan 0.000 0.437 40 D N -0.052 120.344 120.400 -0.006 0.000 2.144 40 D HA -0.113 4.491 4.640 -0.061 0.000 0.200 40 D C 2.034 178.332 176.300 -0.004 0.000 0.978 40 D CA 0.940 54.937 54.000 -0.005 0.000 0.833 40 D CB -0.148 40.651 40.800 -0.003 0.000 0.961 40 D HN 0.277 nan 8.370 nan 0.000 0.470 41 R N 0.073 120.572 120.500 -0.001 0.000 2.096 41 R HA -0.061 4.243 4.340 -0.061 0.000 0.235 41 R C 2.437 178.738 176.300 0.002 0.000 1.127 41 R CA 0.879 56.981 56.100 0.004 0.000 0.968 41 R CB -0.392 29.912 30.300 0.007 0.000 0.861 41 R HN 0.225 nan 8.270 nan 0.000 0.440 42 C N -0.158 119.140 119.300 -0.004 0.000 2.457 42 C HA 0.011 4.434 4.460 -0.061 0.000 0.278 42 C C 2.551 177.529 174.990 -0.021 0.000 1.309 42 C CA 0.375 59.388 59.018 -0.009 0.000 1.735 42 C CB -0.737 26.994 27.740 -0.015 0.000 1.992 42 C HN 0.453 nan 8.230 nan 0.000 0.493 43 R N 1.133 121.620 120.500 -0.022 0.000 2.096 43 R HA -0.084 4.219 4.340 -0.061 0.000 0.235 43 R C 2.385 178.670 176.300 -0.024 0.000 1.127 43 R CA 1.553 57.637 56.100 -0.028 0.000 0.968 43 R CB -0.439 29.849 30.300 -0.021 0.000 0.861 43 R HN 0.545 nan 8.270 nan 0.000 0.440 44 A N 0.282 123.094 122.820 -0.014 0.000 1.898 44 A HA -0.170 4.113 4.320 -0.061 0.000 0.216 44 A C 2.187 179.762 177.584 -0.015 0.000 1.181 44 A CA 1.779 53.810 52.037 -0.010 0.000 0.620 44 A CB -0.596 18.404 19.000 -0.000 0.000 0.819 44 A HN 0.291 nan 8.150 nan 0.000 0.442 45 S N -0.755 114.940 115.700 -0.008 0.000 2.382 45 S HA -0.206 4.227 4.470 -0.061 0.000 0.228 45 S C 2.021 176.581 174.600 -0.067 0.000 1.027 45 S CA 1.624 59.820 58.200 -0.007 0.000 0.991 45 S CB -0.344 62.876 63.200 0.033 0.000 0.823 45 S HN 0.672 nan 8.310 nan 0.000 0.469 46 E N 0.337 120.499 120.200 -0.063 0.000 2.085 46 E HA -0.149 4.164 4.350 -0.061 0.000 0.194 46 E C 2.064 178.611 176.600 -0.089 0.000 0.994 46 E CA 1.136 57.483 56.400 -0.088 0.000 0.801 46 E CB -0.371 29.279 29.700 -0.082 0.000 0.743 46 E HN 0.610 nan 8.360 nan 0.000 0.453 47 A N 1.221 124.004 122.820 -0.062 0.000 1.930 47 A HA -0.138 4.146 4.320 -0.061 0.000 0.217 47 A C 2.133 179.672 177.584 -0.075 0.000 1.175 47 A CA 1.165 53.172 52.037 -0.050 0.000 0.627 47 A CB -0.378 18.605 19.000 -0.028 0.000 0.815 47 A HN 0.175 nan 8.150 nan 0.000 0.443 48 R N -1.086 119.358 120.500 -0.093 0.000 2.096 48 R HA -0.110 4.194 4.340 -0.061 0.000 0.235 48 R C 2.066 178.218 176.300 -0.247 0.000 1.127 48 R CA 1.401 57.434 56.100 -0.112 0.000 0.968 48 R CB -0.599 29.665 30.300 -0.060 0.000 0.861 48 R HN 0.503 nan 8.270 nan 0.000 0.440 49 L N 0.627 121.615 121.223 -0.392 0.000 2.093 49 L HA -0.002 4.302 4.340 -0.061 0.000 0.208 49 L C 2.102 178.823 176.870 -0.248 0.000 1.085 49 L CA 2.015 56.524 54.840 -0.552 0.000 0.755 49 L CB -0.946 40.804 42.059 -0.514 0.000 0.904 49 L HN 0.142 nan 8.230 nan 0.000 0.435 50 G N -0.950 107.765 108.800 -0.142 0.000 2.418 50 G HA2 -0.248 3.675 3.960 -0.061 0.000 0.217 50 G HA3 -0.248 3.675 3.960 -0.061 0.000 0.217 50 G C 1.596 176.463 174.900 -0.054 0.000 1.158 50 G CA 0.812 45.873 45.100 -0.066 0.000 0.771 50 G HN 0.638 nan 8.290 nan 0.000 0.545 51 A N 0.091 122.876 122.820 -0.058 0.000 1.902 51 A HA 0.097 4.380 4.320 -0.061 0.000 0.217 51 A C 2.597 180.171 177.584 -0.017 0.000 1.181 51 A CA 1.734 53.754 52.037 -0.029 0.000 0.623 51 A CB -0.629 18.359 19.000 -0.020 0.000 0.818 51 A HN 0.248 nan 8.150 nan 0.000 0.443 52 V N 0.265 120.157 119.914 -0.036 0.000 2.343 52 V HA -0.280 3.804 4.120 -0.061 0.000 0.247 52 V C 2.416 178.524 176.094 0.024 0.000 1.051 52 V CA 2.110 64.419 62.300 0.014 0.000 1.036 52 V CB -0.629 31.203 31.823 0.015 0.000 0.654 52 V HN 0.578 nan 8.190 nan 0.000 0.451 53 I N -0.510 120.055 120.570 -0.009 0.000 2.202 53 I HA -0.224 3.910 4.170 -0.061 0.000 0.242 53 I C 2.725 178.845 176.117 0.006 0.000 1.091 53 I CA 1.650 62.953 61.300 0.005 0.000 1.368 53 I CB -0.468 37.525 38.000 -0.011 0.000 1.058 53 I HN 0.203 nan 8.210 nan 0.000 0.410 54 R N 1.439 121.937 120.500 -0.003 0.000 2.091 54 R HA -0.200 4.104 4.340 -0.061 0.000 0.238 54 R C 1.715 178.020 176.300 0.008 0.000 1.136 54 R CA 1.780 57.880 56.100 -0.001 0.000 0.959 54 R CB -0.086 30.211 30.300 -0.005 0.000 0.856 54 R HN 0.434 nan 8.270 nan 0.000 0.437 55 E N -0.465 119.745 120.200 0.016 0.000 2.502 55 E HA 0.099 4.412 4.350 -0.061 0.000 0.194 55 E C 0.268 176.888 176.600 0.033 0.000 1.062 55 E CA 0.377 56.792 56.400 0.024 0.000 0.867 55 E CB 0.457 30.175 29.700 0.031 0.000 0.888 55 E HN 0.461 nan 8.360 nan 0.000 0.510 56 A N 2.166 125.006 122.820 0.034 0.000 2.791 56 A HA -0.221 4.062 4.320 -0.061 0.000 0.292 56 A C 0.003 177.626 177.584 0.065 0.000 1.487 56 A CA 0.511 52.572 52.037 0.039 0.000 0.760 56 A CB -1.301 17.711 19.000 0.020 0.000 1.031 56 A HN 0.135 nan 8.150 nan 0.000 0.503 57 R N 0.185 120.741 120.500 0.094 0.000 2.590 57 R HA 0.122 4.425 4.340 -0.061 0.000 0.274 57 R C 0.546 176.965 176.300 0.198 0.000 1.061 57 R CA -0.129 56.054 56.100 0.137 0.000 1.081 57 R CB 0.102 30.493 30.300 0.152 0.000 0.984 57 R HN 0.719 nan 8.270 nan 0.000 0.448 58 H N 2.024 121.141 119.070 0.077 0.000 3.232 58 H HA 0.194 4.713 4.556 -0.060 0.000 0.254 58 H C -0.881 174.524 175.328 0.129 0.000 1.213 58 H CA -0.361 55.725 56.048 0.064 0.000 1.503 58 H CB 0.133 29.907 29.762 0.021 0.000 1.563 58 H HN 0.048 nan 8.280 nan 0.000 0.490 59 V N 6.292 126.418 119.914 0.354 0.000 2.638 59 V HA 0.008 4.092 4.120 -0.061 0.000 0.306 59 V C -0.645 175.690 176.094 0.403 0.000 1.052 59 V CA -1.005 61.537 62.300 0.403 0.000 0.885 59 V CB 1.274 33.325 31.823 0.381 0.000 0.999 59 V HN 0.638 nan 8.190 nan 0.000 0.424 60 Y N 3.769 124.331 120.300 0.438 0.000 2.810 60 Y HA 0.349 4.863 4.550 -0.060 0.000 0.332 60 Y C 1.376 177.400 175.900 0.207 0.000 1.243 60 Y CA 1.837 60.094 58.100 0.262 0.000 1.537 60 Y CB 0.516 39.179 38.460 0.338 0.000 1.265 60 Y HN 1.047 nan 8.280 nan 0.000 0.572 61 G N 4.097 112.619 108.800 -0.464 0.000 2.234 61 G HA2 -0.303 3.621 3.960 -0.061 0.000 0.260 61 G HA3 -0.303 3.621 3.960 -0.061 0.000 0.260 61 G C 0.607 175.486 174.900 -0.034 0.000 0.987 61 G CA 0.607 45.562 45.100 -0.242 0.000 0.625 61 G HN 0.675 nan 8.290 nan 0.000 0.532 62 L N -0.161 121.074 121.223 0.021 0.000 2.577 62 L HA 0.288 4.591 4.340 -0.061 0.000 0.225 62 L C 2.189 179.068 176.870 0.015 0.000 1.053 62 L CA 1.527 56.403 54.840 0.059 0.000 0.866 62 L CB 0.509 42.650 42.059 0.136 0.000 1.132 62 L HN 0.441 nan 8.230 nan 0.000 0.486 63 T N -4.089 110.472 114.554 0.012 0.000 3.262 63 T HA 0.188 4.501 4.350 -0.061 0.000 0.300 63 T C 0.281 174.943 174.700 -0.064 0.000 0.959 63 T CA 0.127 62.221 62.100 -0.011 0.000 0.936 63 T CB 0.085 68.977 68.868 0.040 0.000 1.169 63 T HN 0.179 nan 8.240 nan 0.000 0.532 64 T N -1.880 112.586 114.554 -0.146 0.000 2.864 64 T HA 0.770 5.084 4.350 -0.061 0.000 0.299 64 T C 0.547 174.958 174.700 -0.483 0.000 1.166 64 T CA -0.288 61.689 62.100 -0.206 0.000 1.007 64 T CB 1.415 70.247 68.868 -0.060 0.000 1.219 64 T HN 0.286 nan 8.240 nan 0.000 0.506 65 G N -0.090 108.469 108.800 -0.400 0.000 2.553 65 G HA2 0.556 4.479 3.960 -0.061 0.000 0.278 65 G HA3 0.556 4.479 3.960 -0.061 0.000 0.278 65 G C -1.044 173.412 174.900 -0.740 0.000 1.349 65 G CA -0.783 43.990 45.100 -0.545 0.000 1.037 65 G HN 0.559 nan 8.290 nan 0.000 0.508 66 F N -0.780 119.150 119.950 -0.033 0.000 2.470 66 F HA 0.604 5.095 4.527 -0.060 0.000 0.329 66 F C 1.148 177.068 175.800 0.199 0.000 1.072 66 F CA 0.362 58.414 58.000 0.087 0.000 0.989 66 F CB 1.401 40.522 39.000 0.200 0.000 1.193 66 F HN 1.028 nan 8.300 nan 0.000 0.481 67 G N 2.154 111.285 108.800 0.553 0.000 2.596 67 G HA2 -0.286 3.637 3.960 -0.061 0.000 0.295 67 G HA3 -0.286 3.637 3.960 -0.061 0.000 0.295 67 G C -1.879 173.142 174.900 0.203 0.000 1.240 67 G CA -0.102 45.177 45.100 0.298 0.000 0.985 67 G HN 0.513 nan 8.290 nan 0.000 0.555 68 P HA 0.127 nan 4.420 nan 0.000 0.226 68 P C 1.767 179.104 177.300 0.062 0.000 1.153 68 P CA 0.823 63.969 63.100 0.077 0.000 0.777 68 P CB -0.081 31.648 31.700 0.049 0.000 0.794 69 L N -1.602 119.657 121.223 0.060 0.000 2.599 69 L HA 0.142 4.445 4.340 -0.061 0.000 0.230 69 L C 2.029 178.901 176.870 0.003 0.000 1.141 69 L CA 0.158 55.007 54.840 0.014 0.000 0.877 69 L CB -0.707 41.341 42.059 -0.018 0.000 1.009 69 L HN -0.046 nan 8.230 nan 0.000 0.447 70 A N 1.342 124.202 122.820 0.068 0.000 2.172 70 A HA -0.166 4.117 4.320 -0.061 0.000 0.216 70 A C 1.954 179.572 177.584 0.057 0.000 1.154 70 A CA 1.346 53.428 52.037 0.075 0.000 0.701 70 A CB -0.537 18.620 19.000 0.261 0.000 0.789 70 A HN 0.652 nan 8.150 nan 0.000 0.465 71 N N -0.566 118.157 118.700 0.038 0.000 2.515 71 N HA -0.035 4.669 4.740 -0.061 0.000 0.185 71 N C 0.024 175.523 175.510 -0.018 0.000 1.109 71 N CA 0.229 53.292 53.050 0.022 0.000 0.903 71 N CB -0.173 38.326 38.487 0.020 0.000 0.969 71 N HN 0.178 nan 8.380 nan 0.000 0.450 72 R N 1.054 121.532 120.500 -0.037 0.000 2.196 72 R HA 0.392 4.696 4.340 -0.061 0.000 0.340 72 R C -0.177 176.072 176.300 -0.086 0.000 1.043 72 R CA -0.285 55.779 56.100 -0.059 0.000 0.883 72 R CB 0.753 31.015 30.300 -0.063 0.000 1.078 72 R HN 0.147 nan 8.270 nan 0.000 0.462 73 L N 4.031 125.198 121.223 -0.092 0.000 2.395 73 L HA 0.384 4.688 4.340 -0.061 0.000 0.269 73 L C 0.078 176.890 176.870 -0.097 0.000 1.133 73 L CA -0.474 54.297 54.840 -0.115 0.000 0.812 73 L CB 0.624 42.594 42.059 -0.148 0.000 1.125 73 L HN 0.350 nan 8.230 nan 0.000 0.452 74 I N 1.460 121.971 120.570 -0.098 0.000 2.433 74 I HA 0.216 4.350 4.170 -0.061 0.000 0.292 74 I C 0.335 176.417 176.117 -0.058 0.000 1.001 74 I CA -0.242 61.010 61.300 -0.080 0.000 1.119 74 I CB 1.638 39.578 38.000 -0.100 0.000 1.289 74 I HN 0.522 nan 8.210 nan 0.000 0.438 75 S N 3.253 118.926 115.700 -0.044 0.000 2.580 75 S HA 0.338 4.771 4.470 -0.061 0.000 0.274 75 S C 1.514 176.099 174.600 -0.025 0.000 1.329 75 S CA 0.188 58.369 58.200 -0.033 0.000 1.036 75 S CB 1.197 64.381 63.200 -0.027 0.000 0.919 75 S HN 0.890 nan 8.310 nan 0.000 0.515 76 G N 3.051 111.840 108.800 -0.018 0.000 2.503 76 G HA2 -0.268 3.655 3.960 -0.061 0.000 0.221 76 G HA3 -0.268 3.655 3.960 -0.061 0.000 0.221 76 G C 1.267 176.159 174.900 -0.013 0.000 1.131 76 G CA 1.172 46.264 45.100 -0.013 0.000 0.756 76 G HN 0.905 nan 8.290 nan 0.000 0.572 77 E N 0.852 121.044 120.200 -0.014 0.000 2.409 77 E HA -0.084 4.230 4.350 -0.061 0.000 0.198 77 E C 1.061 177.655 176.600 -0.010 0.000 1.024 77 E CA 0.748 57.141 56.400 -0.012 0.000 0.861 77 E CB -0.334 29.359 29.700 -0.012 0.000 0.788 77 E HN 0.413 nan 8.360 nan 0.000 0.521 78 N N 0.603 119.296 118.700 -0.011 0.000 2.205 78 N HA 0.061 4.765 4.740 -0.061 0.000 0.201 78 N C 1.529 177.038 175.510 -0.002 0.000 1.128 78 N CA 0.134 53.180 53.050 -0.007 0.000 0.867 78 N CB 0.899 39.379 38.487 -0.011 0.000 0.996 78 N HN 0.015 nan 8.380 nan 0.000 0.503 79 V N 1.298 121.210 119.914 -0.004 0.000 2.407 79 V HA -0.173 3.910 4.120 -0.061 0.000 0.248 79 V C 2.411 178.518 176.094 0.020 0.000 1.055 79 V CA 1.346 63.650 62.300 0.007 0.000 1.049 79 V CB -0.224 31.603 31.823 0.007 0.000 0.662 79 V HN 0.230 nan 8.190 nan 0.000 0.455 80 R N 0.208 120.713 120.500 0.008 0.000 2.083 80 R HA -0.135 4.168 4.340 -0.061 0.000 0.237 80 R C 2.365 178.669 176.300 0.007 0.000 1.137 80 R CA 2.016 58.118 56.100 0.004 0.000 0.951 80 R CB -1.363 28.933 30.300 -0.006 0.000 0.851 80 R HN 0.513 nan 8.270 nan 0.000 0.434 81 T N 2.372 116.934 114.554 0.013 0.000 2.708 81 T HA -0.126 4.188 4.350 -0.061 0.000 0.266 81 T C 1.908 176.636 174.700 0.048 0.000 1.037 81 T CA 1.139 63.253 62.100 0.022 0.000 1.146 81 T CB -0.326 68.558 68.868 0.026 0.000 0.865 81 T HN 0.100 nan 8.240 nan 0.000 0.435 82 L N 1.373 122.635 121.223 0.065 0.000 1.990 82 L HA -0.174 4.129 4.340 -0.061 0.000 0.213 82 L C 2.418 179.424 176.870 0.227 0.000 1.072 82 L CA 1.872 56.793 54.840 0.135 0.000 0.755 82 L CB -0.674 41.423 42.059 0.064 0.000 0.889 82 L HN 0.261 nan 8.230 nan 0.000 0.432 83 Q N -0.858 119.032 119.800 0.150 0.000 2.230 83 Q HA -0.082 4.221 4.340 -0.061 0.000 0.202 83 Q C 2.185 178.157 176.000 -0.048 0.000 0.963 83 Q CA 1.128 56.991 55.803 0.101 0.000 0.866 83 Q CB -0.270 28.511 28.738 0.072 0.000 0.931 83 Q HN 0.722 nan 8.270 nan 0.000 0.452 84 A N 1.583 124.359 122.820 -0.074 0.000 1.929 84 A HA -0.158 4.126 4.320 -0.061 0.000 0.216 84 A C 1.738 179.098 177.584 -0.373 0.000 1.176 84 A CA 1.207 53.104 52.037 -0.234 0.000 0.628 84 A CB -0.246 18.648 19.000 -0.177 0.000 0.816 84 A HN 0.251 nan 8.150 nan 0.000 0.444 85 N N -0.121 118.522 118.700 -0.095 0.000 2.270 85 N HA -0.102 4.602 4.740 -0.061 0.000 0.181 85 N C 1.562 177.136 175.510 0.107 0.000 1.016 85 N CA 1.219 54.319 53.050 0.082 0.000 0.870 85 N CB -0.527 38.097 38.487 0.229 0.000 0.979 85 N HN 0.442 nan 8.380 nan 0.000 0.431 86 L N 1.001 122.202 121.223 -0.037 0.000 1.989 86 L HA -0.119 4.185 4.340 -0.061 0.000 0.211 86 L C 1.933 178.363 176.870 -0.733 0.000 1.071 86 L CA 1.497 56.030 54.840 -0.513 0.000 0.749 86 L CB -0.747 40.913 42.059 -0.665 0.000 0.890 86 L HN -0.098 nan 8.230 nan 0.000 0.431 87 V N -0.316 119.328 119.914 -0.452 0.000 2.392 87 V HA -0.348 3.736 4.120 -0.061 0.000 0.249 87 V C 2.382 178.309 176.094 -0.277 0.000 1.059 87 V CA 2.225 64.298 62.300 -0.379 0.000 1.051 87 V CB -1.033 30.618 31.823 -0.287 0.000 0.658 87 V HN 0.632 nan 8.190 nan 0.000 0.455 88 H N -0.286 118.649 119.070 -0.224 0.000 2.270 88 H HA -0.178 4.341 4.556 -0.061 0.000 0.299 88 H C 2.246 177.514 175.328 -0.101 0.000 1.077 88 H CA 1.924 57.896 56.048 -0.127 0.000 1.294 88 H CB -0.289 29.465 29.762 -0.014 0.000 1.371 88 H HN 0.602 nan 8.280 nan 0.000 0.491 89 F N 0.699 120.682 119.950 0.055 0.000 2.365 89 F HA -0.040 4.450 4.527 -0.061 0.000 0.300 89 F C 1.659 177.433 175.800 -0.043 0.000 1.090 89 F CA 0.790 58.791 58.000 0.002 0.000 1.408 89 F CB -0.734 38.274 39.000 0.013 0.000 1.060 89 F HN 0.007 nan 8.300 nan 0.000 0.534 90 L N 0.620 121.505 121.223 -0.563 0.000 2.418 90 L HA 0.212 4.516 4.340 -0.061 0.000 0.218 90 L C 1.928 178.648 176.870 -0.250 0.000 1.125 90 L CA 0.416 55.004 54.840 -0.420 0.000 0.835 90 L CB -0.656 41.036 42.059 -0.611 0.000 0.953 90 L HN 0.270 nan 8.230 nan 0.000 0.454 91 A N 0.108 122.747 122.820 -0.302 0.000 3.029 91 A HA 0.135 4.418 4.320 -0.061 0.000 0.251 91 A C 1.229 178.752 177.584 -0.103 0.000 1.749 91 A CA 0.331 52.065 52.037 -0.505 0.000 1.386 91 A CB -0.679 17.991 19.000 -0.550 0.000 1.043 91 A HN 0.364 nan 8.150 nan 0.000 0.638 92 S N -0.580 115.165 115.700 0.075 0.000 2.601 92 S HA 0.382 4.815 4.470 -0.061 0.000 0.244 92 S C 0.865 175.572 174.600 0.178 0.000 1.001 92 S CA 0.069 58.346 58.200 0.129 0.000 0.984 92 S CB 0.043 63.295 63.200 0.086 0.000 0.842 92 S HN 0.755 nan 8.310 nan 0.000 0.474 93 G N 1.508 110.532 108.800 0.373 0.000 2.544 93 G HA2 0.499 4.423 3.960 -0.061 0.000 0.242 93 G HA3 0.499 4.423 3.960 -0.061 0.000 0.242 93 G C -0.140 174.741 174.900 -0.032 0.000 1.247 93 G CA 0.126 45.284 45.100 0.097 0.000 0.840 93 G HN 1.077 nan 8.290 nan 0.000 0.578 94 V N -1.044 118.838 119.914 -0.052 0.000 3.182 94 V HA 1.028 5.112 4.120 -0.061 0.000 0.308 94 V C 0.537 176.597 176.094 -0.056 0.000 1.240 94 V CA -0.054 62.216 62.300 -0.050 0.000 1.063 94 V CB 1.126 32.941 31.823 -0.013 0.000 1.076 94 V HN 2.583 nan 8.190 nan 0.000 0.446 95 G N 0.573 109.348 108.800 -0.042 0.000 2.712 95 G HA2 0.065 3.989 3.960 -0.061 0.000 0.683 95 G HA3 0.065 3.989 3.960 -0.061 0.000 0.683 95 G C -2.751 172.125 174.900 -0.040 0.000 1.320 95 G CA -0.300 44.780 45.100 -0.033 0.000 0.847 95 G HN 1.152 nan 8.290 nan 0.000 0.553 96 P HA 0.391 nan 4.420 nan 0.000 0.266 96 P C 0.871 178.153 177.300 -0.030 0.000 1.195 96 P CA 0.491 63.579 63.100 -0.020 0.000 0.768 96 P CB 0.781 32.478 31.700 -0.004 0.000 0.838 97 V N 1.883 121.779 119.914 -0.030 0.000 2.963 97 V HA 0.130 4.214 4.120 -0.061 0.000 0.306 97 V C 0.755 176.842 176.094 -0.012 0.000 1.077 97 V CA -0.624 61.652 62.300 -0.039 0.000 1.124 97 V CB -0.551 31.253 31.823 -0.032 0.000 0.987 97 V HN 0.304 nan 8.190 nan 0.000 0.487 98 L N 2.554 123.766 121.223 -0.018 0.000 2.467 98 L HA 0.254 4.557 4.340 -0.061 0.000 0.270 98 L C 0.634 177.524 176.870 0.033 0.000 1.205 98 L CA -0.221 54.621 54.840 0.003 0.000 0.828 98 L CB 0.141 42.192 42.059 -0.013 0.000 1.101 98 L HN 1.027 nan 8.230 nan 0.000 0.479 99 D N -0.252 120.183 120.400 0.059 0.000 2.357 99 D HA -0.099 4.504 4.640 -0.061 0.000 0.242 99 D C 0.702 177.092 176.300 0.150 0.000 1.153 99 D CA -0.462 53.606 54.000 0.113 0.000 0.918 99 D CB 0.509 41.383 40.800 0.122 0.000 1.181 99 D HN 0.549 nan 8.370 nan 0.000 0.435 100 W N 1.309 122.613 121.300 0.006 0.000 2.290 100 W HA -0.317 4.305 4.660 -0.062 0.000 0.328 100 W C 2.171 178.684 176.519 -0.010 0.000 1.272 100 W CA 2.929 60.277 57.345 0.005 0.000 1.262 100 W CB -0.845 28.621 29.460 0.010 0.000 1.151 100 W HN 0.450 nan 8.180 nan 0.000 0.473 101 T N -0.364 114.313 114.554 0.205 0.000 2.746 101 T HA -0.202 4.112 4.350 -0.061 0.000 0.267 101 T C 1.567 176.190 174.700 -0.129 0.000 1.039 101 T CA 2.273 64.344 62.100 -0.048 0.000 1.142 101 T CB -0.862 68.068 68.868 0.103 0.000 0.866 101 T HN 0.193 nan 8.240 nan 0.000 0.444 102 T N 1.958 116.495 114.554 -0.029 0.000 2.777 102 T HA 0.025 4.339 4.350 -0.061 0.000 0.266 102 T C 2.429 177.083 174.700 -0.077 0.000 1.040 102 T CA 1.077 63.158 62.100 -0.031 0.000 1.141 102 T CB -0.523 68.356 68.868 0.018 0.000 0.868 102 T HN 0.422 nan 8.240 nan 0.000 0.444 103 A N 1.812 124.576 122.820 -0.095 0.000 1.902 103 A HA -0.124 4.159 4.320 -0.061 0.000 0.217 103 A C 2.372 179.852 177.584 -0.173 0.000 1.181 103 A CA 1.459 53.426 52.037 -0.116 0.000 0.623 103 A CB -0.472 18.464 19.000 -0.107 0.000 0.818 103 A HN 0.409 nan 8.150 nan 0.000 0.443 104 R N -0.612 119.719 120.500 -0.282 0.000 2.115 104 R HA 0.021 4.325 4.340 -0.061 0.000 0.230 104 R C 2.399 178.566 176.300 -0.222 0.000 1.111 104 R CA 1.001 56.910 56.100 -0.319 0.000 0.976 104 R CB -0.398 29.569 30.300 -0.555 0.000 0.870 104 R HN 0.506 nan 8.270 nan 0.000 0.445 105 A N 1.131 123.837 122.820 -0.190 0.000 1.972 105 A HA -0.185 4.099 4.320 -0.061 0.000 0.219 105 A C 2.107 179.635 177.584 -0.093 0.000 1.169 105 A CA 1.291 53.250 52.037 -0.130 0.000 0.635 105 A CB -0.430 18.516 19.000 -0.089 0.000 0.810 105 A HN 0.329 nan 8.150 nan 0.000 0.446 106 M N -0.330 119.218 119.600 -0.088 0.000 2.099 106 M HA -0.112 4.331 4.480 -0.061 0.000 0.262 106 M C 1.876 178.134 176.300 -0.070 0.000 1.067 106 M CA 1.935 57.196 55.300 -0.065 0.000 1.124 106 M CB -0.218 32.346 32.600 -0.059 0.000 1.353 106 M HN 0.185 nan 8.290 nan 0.000 0.410 107 V N 1.123 120.984 119.914 -0.088 0.000 2.287 107 V HA -0.278 3.806 4.120 -0.061 0.000 0.248 107 V C 2.432 178.482 176.094 -0.073 0.000 1.053 107 V CA 1.776 64.029 62.300 -0.079 0.000 1.027 107 V CB -0.984 30.784 31.823 -0.091 0.000 0.646 107 V HN 0.598 nan 8.190 nan 0.000 0.447 108 L N 1.008 122.178 121.223 -0.088 0.000 2.046 108 L HA -0.094 4.210 4.340 -0.061 0.000 0.208 108 L C 2.443 179.274 176.870 -0.064 0.000 1.077 108 L CA 2.382 57.174 54.840 -0.080 0.000 0.747 108 L CB -1.015 40.987 42.059 -0.095 0.000 0.896 108 L HN 0.216 nan 8.230 nan 0.000 0.432 109 A N -0.391 122.392 122.820 -0.061 0.000 1.908 109 A HA -0.271 4.013 4.320 -0.061 0.000 0.218 109 A C 2.474 180.033 177.584 -0.041 0.000 1.181 109 A CA 1.900 53.907 52.037 -0.050 0.000 0.627 109 A CB -0.624 18.350 19.000 -0.044 0.000 0.818 109 A HN 0.492 nan 8.150 nan 0.000 0.445 110 R N -0.726 119.752 120.500 -0.038 0.000 2.075 110 R HA -0.068 4.236 4.340 -0.061 0.000 0.232 110 R C 1.939 178.223 176.300 -0.026 0.000 1.126 110 R CA 1.489 57.572 56.100 -0.028 0.000 0.963 110 R CB -0.657 29.625 30.300 -0.028 0.000 0.858 110 R HN 0.439 nan 8.270 nan 0.000 0.435 111 L N -0.115 121.087 121.223 -0.034 0.000 2.017 111 L HA -0.117 4.186 4.340 -0.061 0.000 0.208 111 L C 1.947 178.799 176.870 -0.029 0.000 1.073 111 L CA 1.697 56.519 54.840 -0.031 0.000 0.745 111 L CB -0.594 41.442 42.059 -0.038 0.000 0.894 111 L HN 0.072 nan 8.230 nan 0.000 0.432 112 V N -1.013 118.878 119.914 -0.038 0.000 2.392 112 V HA -0.280 3.804 4.120 -0.061 0.000 0.249 112 V C 2.771 178.848 176.094 -0.028 0.000 1.059 112 V CA 1.789 64.065 62.300 -0.040 0.000 1.051 112 V CB -0.885 30.903 31.823 -0.058 0.000 0.658 112 V HN 0.646 nan 8.190 nan 0.000 0.455 113 S N -0.209 115.475 115.700 -0.025 0.000 2.348 113 S HA -0.151 4.283 4.470 -0.061 0.000 0.221 113 S C 1.931 176.529 174.600 -0.004 0.000 1.033 113 S CA 1.748 59.939 58.200 -0.016 0.000 1.010 113 S CB -0.352 62.840 63.200 -0.013 0.000 0.891 113 S HN 0.521 nan 8.310 nan 0.000 0.442 114 I N 1.788 122.357 120.570 -0.002 0.000 2.264 114 I HA -0.171 3.963 4.170 -0.061 0.000 0.248 114 I C 2.659 178.779 176.117 0.005 0.000 1.111 114 I CA 1.084 62.388 61.300 0.008 0.000 1.382 114 I CB -0.470 37.532 38.000 0.003 0.000 1.060 114 I HN 0.382 nan 8.210 nan 0.000 0.418 115 A N 0.021 122.839 122.820 -0.004 0.000 2.125 115 A HA -0.183 4.100 4.320 -0.061 0.000 0.219 115 A C 2.065 179.650 177.584 0.002 0.000 1.156 115 A CA 1.110 53.145 52.037 -0.004 0.000 0.671 115 A CB -0.302 18.691 19.000 -0.011 0.000 0.794 115 A HN 0.402 nan 8.150 nan 0.000 0.459 116 Q N -1.046 118.757 119.800 0.005 0.000 2.472 116 Q HA 0.093 4.396 4.340 -0.061 0.000 0.208 116 Q C 1.176 177.186 176.000 0.016 0.000 0.958 116 Q CA 0.727 56.536 55.803 0.008 0.000 0.932 116 Q CB -0.567 28.174 28.738 0.004 0.000 1.007 116 Q HN 1.009 nan 8.270 nan 0.000 0.508 117 G N 0.685 109.498 108.800 0.022 0.000 2.256 117 G HA2 -0.191 3.732 3.960 -0.061 0.000 0.272 117 G HA3 -0.191 3.732 3.960 -0.061 0.000 0.272 117 G C 0.447 175.382 174.900 0.059 0.000 1.076 117 G CA 0.427 45.546 45.100 0.033 0.000 0.882 117 G HN 0.523 nan 8.290 nan 0.000 0.497 118 A N -1.119 121.747 122.820 0.076 0.000 2.671 118 A HA 0.713 4.997 4.320 -0.061 0.000 0.265 118 A C 1.639 179.341 177.584 0.196 0.000 1.148 118 A CA 1.355 53.462 52.037 0.116 0.000 0.977 118 A CB 0.280 19.306 19.000 0.043 0.000 1.242 118 A HN 0.782 nan 8.150 nan 0.000 0.591 119 S N -1.050 114.763 115.700 0.188 0.000 2.502 119 S HA 0.361 4.795 4.470 -0.061 0.000 0.215 119 S C 1.549 176.330 174.600 0.302 0.000 1.009 119 S CA 0.732 59.072 58.200 0.232 0.000 0.908 119 S CB 0.400 63.667 63.200 0.112 0.000 0.801 119 S HN 1.683 nan 8.310 nan 0.000 0.505 120 G N 1.895 110.798 108.800 0.171 0.000 2.168 120 G HA2 -0.242 3.681 3.960 -0.061 0.000 0.263 120 G HA3 -0.242 3.681 3.960 -0.061 0.000 0.263 120 G C 0.228 175.114 174.900 -0.023 0.000 0.977 120 G CA 0.066 45.157 45.100 -0.015 0.000 0.659 120 G HN 0.887 nan 8.290 nan 0.000 0.533 121 A N 0.388 123.214 122.820 0.009 0.000 2.511 121 A HA 0.615 4.899 4.320 -0.061 0.000 0.242 121 A C 1.147 178.684 177.584 -0.078 0.000 1.069 121 A CA 1.015 53.039 52.037 -0.022 0.000 0.763 121 A CB 0.212 19.207 19.000 -0.009 0.000 1.001 121 A HN 2.017 nan 8.150 nan 0.000 0.498 122 S N 1.710 117.327 115.700 -0.139 0.000 2.614 122 S HA 0.189 4.623 4.470 -0.061 0.000 0.265 122 S C 0.754 175.247 174.600 -0.178 0.000 1.303 122 S CA 0.075 58.121 58.200 -0.257 0.000 1.000 122 S CB 0.703 63.551 63.200 -0.587 0.000 0.935 122 S HN 0.720 nan 8.310 nan 0.000 0.551 123 E N 1.453 121.549 120.200 -0.174 0.000 2.085 123 E HA -0.134 4.179 4.350 -0.061 0.000 0.194 123 E C 2.145 178.694 176.600 -0.085 0.000 0.994 123 E CA 1.280 57.619 56.400 -0.102 0.000 0.801 123 E CB -0.799 28.853 29.700 -0.081 0.000 0.743 123 E HN 0.900 nan 8.360 nan 0.000 0.453 124 G N 0.606 109.342 108.800 -0.106 0.000 2.421 124 G HA2 -0.276 3.648 3.960 -0.061 0.000 0.216 124 G HA3 -0.276 3.648 3.960 -0.061 0.000 0.216 124 G C 1.640 176.514 174.900 -0.043 0.000 1.171 124 G CA 1.347 46.412 45.100 -0.057 0.000 0.775 124 G HN 0.191 nan 8.290 nan 0.000 0.543 125 T N 1.411 115.928 114.554 -0.061 0.000 2.684 125 T HA -0.083 4.231 4.350 -0.061 0.000 0.267 125 T C 2.385 177.067 174.700 -0.030 0.000 1.036 125 T CA 1.134 63.212 62.100 -0.036 0.000 1.148 125 T CB -0.183 68.661 68.868 -0.040 0.000 0.863 125 T HN 0.255 nan 8.240 nan 0.000 0.436 126 I N 1.264 121.810 120.570 -0.039 0.000 2.286 126 I HA -0.166 3.968 4.170 -0.061 0.000 0.248 126 I C 2.897 178.999 176.117 -0.025 0.000 1.115 126 I CA 1.020 62.302 61.300 -0.031 0.000 1.392 126 I CB -0.469 37.510 38.000 -0.034 0.000 1.065 126 I HN 0.193 nan 8.210 nan 0.000 0.418 127 A N 0.802 123.607 122.820 -0.025 0.000 1.933 127 A HA -0.174 4.110 4.320 -0.061 0.000 0.218 127 A C 2.344 179.923 177.584 -0.010 0.000 1.175 127 A CA 1.256 53.283 52.037 -0.018 0.000 0.628 127 A CB -0.380 18.610 19.000 -0.017 0.000 0.814 127 A HN 0.244 nan 8.150 nan 0.000 0.444 128 R N -0.167 120.329 120.500 -0.006 0.000 2.081 128 R HA -0.030 4.273 4.340 -0.061 0.000 0.235 128 R C 2.036 178.341 176.300 0.007 0.000 1.131 128 R CA 1.201 57.306 56.100 0.008 0.000 0.960 128 R CB -1.031 29.278 30.300 0.015 0.000 0.856 128 R HN 0.598 nan 8.270 nan 0.000 0.436 129 L N 0.154 121.373 121.223 -0.006 0.000 2.056 129 L HA -0.099 4.205 4.340 -0.061 0.000 0.207 129 L C 2.491 179.349 176.870 -0.020 0.000 1.078 129 L CA 1.104 55.936 54.840 -0.014 0.000 0.749 129 L CB -0.453 41.592 42.059 -0.023 0.000 0.901 129 L HN 0.075 nan 8.230 nan 0.000 0.433 130 I N -0.047 120.512 120.570 -0.019 0.000 2.179 130 I HA -0.283 3.851 4.170 -0.061 0.000 0.242 130 I C 2.119 178.227 176.117 -0.016 0.000 1.088 130 I CA 1.204 62.491 61.300 -0.021 0.000 1.357 130 I CB -0.373 37.615 38.000 -0.019 0.000 1.051 130 I HN 0.246 nan 8.210 nan 0.000 0.409 131 D N 0.754 121.149 120.400 -0.008 0.000 2.123 131 D HA -0.185 4.418 4.640 -0.061 0.000 0.196 131 D C 2.110 178.409 176.300 -0.002 0.000 0.992 131 D CA 0.958 54.955 54.000 -0.005 0.000 0.833 131 D CB -0.318 40.481 40.800 -0.002 0.000 0.954 131 D HN 0.158 nan 8.370 nan 0.000 0.455 132 L N 0.691 121.918 121.223 0.007 0.000 1.994 132 L HA -0.134 4.170 4.340 -0.061 0.000 0.208 132 L C 2.132 178.990 176.870 -0.021 0.000 1.071 132 L CA 1.417 56.267 54.840 0.018 0.000 0.745 132 L CB -0.887 41.195 42.059 0.038 0.000 0.892 132 L HN 0.104 nan 8.230 nan 0.000 0.431 133 L N 0.161 121.357 121.223 -0.045 0.000 2.131 133 L HA -0.205 4.098 4.340 -0.061 0.000 0.210 133 L C 1.843 178.687 176.870 -0.042 0.000 1.092 133 L CA 0.912 55.706 54.840 -0.076 0.000 0.759 133 L CB -0.569 41.444 42.059 -0.077 0.000 0.903 133 L HN 0.380 nan 8.230 nan 0.000 0.435 134 N N -0.422 118.267 118.700 -0.017 0.000 2.398 134 N HA -0.008 4.695 4.740 -0.061 0.000 0.188 134 N C 0.810 176.333 175.510 0.022 0.000 1.122 134 N CA 0.326 53.378 53.050 0.002 0.000 0.866 134 N CB 0.190 38.676 38.487 -0.001 0.000 0.970 134 N HN 0.342 nan 8.380 nan 0.000 0.462 135 S N -0.182 115.534 115.700 0.026 0.000 2.719 135 S HA 0.323 4.757 4.470 -0.061 0.000 0.285 135 S C 0.734 175.411 174.600 0.128 0.000 1.137 135 S CA -0.503 57.727 58.200 0.049 0.000 1.012 135 S CB 1.605 64.819 63.200 0.022 0.000 1.134 135 S HN -0.103 nan 8.310 nan 0.000 0.544 136 E N 0.087 120.388 120.200 0.168 0.000 2.444 136 E HA 0.349 4.663 4.350 -0.061 0.000 0.191 136 E C -0.143 176.768 176.600 0.518 0.000 1.041 136 E CA -0.006 56.589 56.400 0.324 0.000 0.883 136 E CB -0.172 29.620 29.700 0.154 0.000 1.024 136 E HN 0.506 nan 8.360 nan 0.000 0.470 137 L N -0.086 121.345 121.223 0.346 0.000 2.331 137 L HA 0.742 5.046 4.340 -0.061 0.000 0.268 137 L C 0.017 177.005 176.870 0.197 0.000 1.015 137 L CA -1.072 53.996 54.840 0.381 0.000 0.807 137 L CB 1.501 43.667 42.059 0.177 0.000 1.293 137 L HN -0.172 nan 8.230 nan 0.000 0.451 138 A N 1.075 124.033 122.820 0.230 0.000 2.515 138 A HA 0.795 5.078 4.320 -0.061 0.000 0.298 138 A C -2.798 174.849 177.584 0.106 0.000 1.059 138 A CA -1.389 50.630 52.037 -0.030 0.000 0.698 138 A CB 1.838 20.634 19.000 -0.341 0.000 1.289 138 A HN 0.376 nan 8.150 nan 0.000 0.404 139 P HA 0.371 nan 4.420 nan 0.000 0.275 139 P C -0.311 176.893 177.300 -0.160 0.000 1.228 139 P CA 0.083 63.021 63.100 -0.270 0.000 0.786 139 P CB 1.256 32.801 31.700 -0.259 0.000 0.927 140 A N 3.245 125.950 122.820 -0.193 0.000 2.316 140 A HA 0.494 4.778 4.320 -0.061 0.000 0.311 140 A C 0.203 177.716 177.584 -0.119 0.000 1.339 140 A CA -0.472 51.507 52.037 -0.095 0.000 0.960 140 A CB -0.460 18.504 19.000 -0.060 0.000 1.152 140 A HN 0.440 nan 8.150 nan 0.000 0.547 141 V N 1.176 121.024 119.914 -0.110 0.000 2.588 141 V HA 0.731 4.815 4.120 -0.061 0.000 0.304 141 V C -2.796 173.190 176.094 -0.180 0.000 1.042 141 V CA -2.604 59.605 62.300 -0.151 0.000 0.877 141 V CB 1.776 33.544 31.823 -0.091 0.000 0.996 141 V HN 0.651 nan 8.190 nan 0.000 0.425 142 P HA 0.095 nan 4.420 nan 0.000 0.266 142 P C 0.854 178.069 177.300 -0.141 0.000 1.195 142 P CA 0.468 63.428 63.100 -0.234 0.000 0.768 142 P CB 1.292 32.785 31.700 -0.345 0.000 0.838 143 S N 2.649 118.301 115.700 -0.081 0.000 2.470 143 S HA 0.019 4.452 4.470 -0.061 0.000 0.225 143 S C 0.833 175.416 174.600 -0.028 0.000 1.006 143 S CA 0.110 58.285 58.200 -0.042 0.000 0.934 143 S CB -0.093 63.095 63.200 -0.020 0.000 0.778 143 S HN 0.414 nan 8.310 nan 0.000 0.517 144 R N -0.316 120.164 120.500 -0.034 0.000 2.732 144 R HA 0.636 4.940 4.340 -0.061 0.000 0.278 144 R C 0.750 177.047 176.300 -0.006 0.000 0.976 144 R CA -0.049 56.043 56.100 -0.013 0.000 0.963 144 R CB 1.565 31.860 30.300 -0.009 0.000 1.150 144 R HN 0.306 nan 8.270 nan 0.000 0.478 145 G N 0.157 108.964 108.800 0.012 0.000 2.813 145 G HA2 -0.206 3.718 3.960 -0.061 0.000 0.194 145 G HA3 -0.206 3.718 3.960 -0.061 0.000 0.194 145 G C 0.039 174.956 174.900 0.029 0.000 1.010 145 G CA -0.097 45.020 45.100 0.027 0.000 0.771 145 G HN 0.594 nan 8.290 nan 0.000 0.485 146 T N 0.734 115.301 114.554 0.022 0.000 2.902 146 T HA 0.531 4.844 4.350 -0.061 0.000 0.283 146 T C 1.380 176.096 174.700 0.026 0.000 1.009 146 T CA 0.424 62.536 62.100 0.020 0.000 1.051 146 T CB 1.658 70.534 68.868 0.013 0.000 0.999 146 T HN 1.129 nan 8.240 nan 0.000 0.474 147 V N 1.403 121.335 119.914 0.029 0.000 3.444 147 V HA 0.605 4.689 4.120 -0.061 0.000 0.308 147 V C 1.139 177.261 176.094 0.047 0.000 1.371 147 V CA 0.213 62.536 62.300 0.040 0.000 1.141 147 V CB -1.301 30.548 31.823 0.043 0.000 1.037 147 V HN 1.350 nan 8.190 nan 0.000 0.433 153 L N -0.249 120.932 121.223 -0.069 0.000 2.012 153 L HA -0.153 4.151 4.340 -0.061 0.000 0.210 153 L C 2.396 179.202 176.870 -0.106 0.000 1.073 153 L CA 1.480 56.254 54.840 -0.110 0.000 0.748 153 L CB -0.675 41.294 42.059 -0.151 0.000 0.891 153 L HN 0.101 nan 8.230 nan 0.000 0.431 154 T N 0.501 115.020 114.554 -0.059 0.000 2.622 154 T HA -0.098 4.216 4.350 -0.061 0.000 0.266 154 T C -0.414 174.334 174.700 0.082 0.000 1.047 154 T CA 1.851 63.946 62.100 -0.009 0.000 1.159 154 T CB -1.165 67.730 68.868 0.045 0.000 0.863 154 T HN 0.310 nan 8.240 nan 0.000 0.422 155 P HA -0.003 nan 4.420 nan 0.000 0.218 155 P C 1.539 178.860 177.300 0.035 0.000 1.149 155 P CA 1.030 64.171 63.100 0.068 0.000 0.817 155 P CB -0.231 31.474 31.700 0.008 0.000 0.785 156 L N -0.832 120.381 121.223 -0.017 0.000 2.217 156 L HA -0.043 4.260 4.340 -0.061 0.000 0.211 156 L C 2.755 179.577 176.870 -0.079 0.000 1.107 156 L CA 1.149 55.960 54.840 -0.048 0.000 0.783 156 L CB -0.942 41.082 42.059 -0.059 0.000 0.919 156 L HN -0.059 nan 8.230 nan 0.000 0.442 157 A N -0.936 121.812 122.820 -0.120 0.000 1.930 157 A HA -0.202 4.081 4.320 -0.061 0.000 0.217 157 A C 2.117 179.582 177.584 -0.199 0.000 1.175 157 A CA 1.154 53.066 52.037 -0.208 0.000 0.627 157 A CB -0.658 18.153 19.000 -0.316 0.000 0.815 157 A HN 0.386 nan 8.150 nan 0.000 0.443 158 H N -1.135 117.872 119.070 -0.105 0.000 2.389 158 H HA -0.093 4.427 4.556 -0.060 0.000 0.299 158 H C 2.084 177.338 175.328 -0.122 0.000 1.081 158 H CA 1.729 57.717 56.048 -0.100 0.000 1.345 158 H CB -0.248 29.460 29.762 -0.089 0.000 1.393 158 H HN 0.591 nan 8.280 nan 0.000 0.520 159 M N 0.560 120.155 119.600 -0.007 0.000 2.086 159 M HA -0.159 4.284 4.480 -0.061 0.000 0.261 159 M C 2.152 178.399 176.300 -0.087 0.000 1.067 159 M CA 1.378 56.635 55.300 -0.071 0.000 1.116 159 M CB -0.151 32.411 32.600 -0.063 0.000 1.348 159 M HN -0.004 nan 8.290 nan 0.000 0.407 160 V N 1.375 121.240 119.914 -0.080 0.000 2.287 160 V HA -0.320 3.763 4.120 -0.061 0.000 0.248 160 V C 2.468 178.522 176.094 -0.066 0.000 1.053 160 V CA 1.958 64.214 62.300 -0.074 0.000 1.027 160 V CB -0.834 30.932 31.823 -0.094 0.000 0.646 160 V HN 0.553 nan 8.190 nan 0.000 0.447 161 L N -0.829 120.347 121.223 -0.078 0.000 2.042 161 L HA -0.244 4.060 4.340 -0.061 0.000 0.210 161 L C 2.674 179.508 176.870 -0.061 0.000 1.076 161 L CA 1.797 56.605 54.840 -0.053 0.000 0.749 161 L CB -0.796 41.231 42.059 -0.052 0.000 0.893 161 L HN 0.415 nan 8.230 nan 0.000 0.432 162 C N -0.118 119.098 119.300 -0.140 0.000 2.432 162 C HA -0.161 4.263 4.460 -0.061 0.000 0.277 162 C C 2.671 177.562 174.990 -0.166 0.000 1.249 162 C CA 0.432 59.257 59.018 -0.322 0.000 1.725 162 C CB -0.894 26.480 27.740 -0.611 0.000 2.028 162 C HN 0.442 nan 8.230 nan 0.000 0.477 163 L N 0.417 121.604 121.223 -0.060 0.000 2.353 163 L HA -0.179 4.125 4.340 -0.061 0.000 0.220 163 L C 2.395 179.335 176.870 0.117 0.000 1.133 163 L CA 1.278 56.182 54.840 0.107 0.000 0.798 163 L CB -0.660 41.429 42.059 0.050 0.000 0.922 163 L HN 0.555 nan 8.230 nan 0.000 0.445 164 Q N -0.472 119.369 119.800 0.068 0.000 2.360 164 Q HA 0.136 4.440 4.340 -0.061 0.000 0.202 164 Q C 1.312 177.368 176.000 0.093 0.000 0.915 164 Q CA 0.505 56.347 55.803 0.064 0.000 0.943 164 Q CB 0.696 29.453 28.738 0.031 0.000 1.064 164 Q HN 0.533 nan 8.270 nan 0.000 0.511 165 G N 1.794 110.682 108.800 0.146 0.000 2.132 165 G HA2 -0.292 3.632 3.960 -0.061 0.000 0.234 165 G HA3 -0.292 3.632 3.960 -0.061 0.000 0.234 165 G C 0.441 175.410 174.900 0.115 0.000 0.989 165 G CA -0.018 45.190 45.100 0.181 0.000 0.676 165 G HN 0.297 nan 8.290 nan 0.000 0.522 166 R N -0.031 120.510 120.500 0.069 0.000 2.586 166 R HA 0.484 4.788 4.340 -0.061 0.000 0.336 166 R C 0.944 177.256 176.300 0.020 0.000 1.060 166 R CA 0.466 56.593 56.100 0.044 0.000 1.079 166 R CB 0.912 31.236 30.300 0.041 0.000 1.317 166 R HN 0.571 nan 8.270 nan 0.000 0.568 167 G N -0.304 108.494 108.800 -0.003 0.000 2.698 167 G HA2 0.220 4.144 3.960 -0.061 0.000 0.293 167 G HA3 0.220 4.144 3.960 -0.061 0.000 0.293 167 G C -1.470 173.377 174.900 -0.088 0.000 1.437 167 G CA -0.694 44.377 45.100 -0.049 0.000 0.852 167 G HN -0.121 nan 8.290 nan 0.000 0.499 168 D N -0.584 119.776 120.400 -0.066 0.000 2.363 168 D HA 0.569 5.173 4.640 -0.061 0.000 0.240 168 D C -0.454 175.750 176.300 -0.159 0.000 1.236 168 D CA 0.630 54.625 54.000 -0.008 0.000 0.927 168 D CB 0.684 41.498 40.800 0.023 0.000 1.150 168 D HN 0.117 nan 8.370 nan 0.000 0.458 169 F N -0.885 119.090 119.950 0.041 0.000 2.620 169 F HA 0.531 5.022 4.527 -0.061 0.000 0.320 169 F C -0.366 175.481 175.800 0.078 0.000 1.069 169 F CA -0.891 57.142 58.000 0.055 0.000 0.953 169 F CB 1.259 40.292 39.000 0.056 0.000 1.322 169 F HN -0.063 nan 8.300 nan 0.000 0.479 170 L N 1.720 123.151 121.223 0.347 0.000 2.386 170 L HA 0.434 4.737 4.340 -0.061 0.000 0.271 170 L C -1.010 176.091 176.870 0.386 0.000 0.993 170 L CA -1.022 53.998 54.840 0.299 0.000 0.819 170 L CB 1.896 44.130 42.059 0.291 0.000 1.294 170 L HN 0.586 nan 8.230 nan 0.000 0.414 171 D N 1.539 122.059 120.400 0.199 0.000 2.466 171 D HA 0.210 4.814 4.640 -0.061 0.000 0.262 171 D C 0.773 176.901 176.300 -0.287 0.000 1.177 171 D CA -0.613 53.422 54.000 0.057 0.000 1.035 171 D CB 0.938 41.729 40.800 -0.015 0.000 1.105 171 D HN 0.363 nan 8.370 nan 0.000 0.551 172 R N -0.581 119.486 120.500 -0.721 0.000 2.170 172 R HA -0.112 4.192 4.340 -0.061 0.000 0.242 172 R C 0.671 176.644 176.300 -0.545 0.000 1.145 172 R CA 1.440 56.815 56.100 -1.208 0.000 0.984 172 R CB -0.139 29.554 30.300 -1.012 0.000 0.869 172 R HN 0.518 nan 8.270 nan 0.000 0.455 173 D N -1.150 119.078 120.400 -0.288 0.000 2.340 173 D HA 0.056 4.660 4.640 -0.061 0.000 0.220 173 D C 1.159 177.421 176.300 -0.064 0.000 1.039 173 D CA 0.927 54.840 54.000 -0.145 0.000 0.866 173 D CB 0.736 41.474 40.800 -0.102 0.000 0.913 173 D HN 0.443 nan 8.370 nan 0.000 0.523 174 G N 1.580 110.359 108.800 -0.034 0.000 2.176 174 G HA2 -0.278 3.646 3.960 -0.061 0.000 0.253 174 G HA3 -0.278 3.646 3.960 -0.061 0.000 0.253 174 G C 0.644 175.570 174.900 0.042 0.000 0.979 174 G CA 0.536 45.661 45.100 0.041 0.000 0.641 174 G HN 0.429 nan 8.290 nan 0.000 0.530 175 T N -0.499 114.068 114.554 0.022 0.000 2.834 175 T HA 0.588 4.902 4.350 -0.061 0.000 0.298 175 T C 0.557 175.292 174.700 0.059 0.000 0.966 175 T CA -0.278 61.839 62.100 0.028 0.000 1.141 175 T CB 1.176 70.051 68.868 0.010 0.000 0.905 175 T HN 0.513 nan 8.240 nan 0.000 0.535 176 R N 2.436 122.972 120.500 0.060 0.000 2.441 176 R HA 0.580 4.884 4.340 -0.061 0.000 0.284 176 R C -0.279 176.073 176.300 0.087 0.000 1.070 176 R CA -0.593 55.556 56.100 0.081 0.000 1.047 176 R CB 0.686 31.023 30.300 0.061 0.000 1.016 176 R HN 0.608 nan 8.270 nan 0.000 0.477 177 L N 1.851 123.152 121.223 0.130 0.000 2.354 177 L HA 0.348 4.652 4.340 -0.061 0.000 0.269 177 L C -0.279 176.691 176.870 0.167 0.000 1.005 177 L CA -1.306 53.611 54.840 0.128 0.000 0.819 177 L CB 1.899 44.036 42.059 0.130 0.000 1.311 177 L HN 0.664 nan 8.230 nan 0.000 0.423 178 D N 0.815 121.293 120.400 0.129 0.000 2.358 178 D HA 0.148 4.752 4.640 -0.061 0.000 0.244 178 D C 1.231 177.660 176.300 0.216 0.000 1.163 178 D CA -0.120 53.962 54.000 0.136 0.000 0.945 178 D CB 0.971 41.822 40.800 0.085 0.000 1.152 178 D HN 0.579 nan 8.370 nan 0.000 0.451 179 G N 0.170 109.099 108.800 0.214 0.000 2.574 179 G HA2 -0.323 3.600 3.960 -0.061 0.000 0.220 179 G HA3 -0.323 3.600 3.960 -0.061 0.000 0.220 179 G C 1.475 176.508 174.900 0.222 0.000 1.173 179 G CA 2.153 47.431 45.100 0.298 0.000 0.772 179 G HN 0.725 nan 8.290 nan 0.000 0.585 180 A N 0.664 123.555 122.820 0.118 0.000 1.865 180 A HA -0.089 4.195 4.320 -0.061 0.000 0.217 180 A C 2.233 179.827 177.584 0.017 0.000 1.191 180 A CA 2.420 54.492 52.037 0.058 0.000 0.623 180 A CB -0.599 18.427 19.000 0.043 0.000 0.826 180 A HN 0.436 nan 8.150 nan 0.000 0.444 181 E N 0.176 120.391 120.200 0.025 0.000 2.118 181 E HA -0.076 4.238 4.350 -0.061 0.000 0.195 181 E C 1.924 178.471 176.600 -0.088 0.000 0.992 181 E CA 1.698 58.091 56.400 -0.011 0.000 0.804 181 E CB -0.874 28.837 29.700 0.018 0.000 0.741 181 E HN 0.420 nan 8.360 nan 0.000 0.458 182 G N 0.667 109.387 108.800 -0.133 0.000 2.433 182 G HA2 -0.215 3.708 3.960 -0.061 0.000 0.216 182 G HA3 -0.215 3.708 3.960 -0.061 0.000 0.216 182 G C 1.628 176.141 174.900 -0.645 0.000 1.186 182 G CA 0.920 45.667 45.100 -0.590 0.000 0.779 182 G HN 0.322 nan 8.290 nan 0.000 0.543 183 L N -0.190 120.799 121.223 -0.391 0.000 2.083 183 L HA -0.052 4.252 4.340 -0.061 0.000 0.209 183 L C 2.930 179.708 176.870 -0.155 0.000 1.083 183 L CA 1.260 55.965 54.840 -0.225 0.000 0.752 183 L CB -0.397 41.627 42.059 -0.057 0.000 0.899 183 L HN 0.203 nan 8.230 nan 0.000 0.433 184 R N 0.480 120.909 120.500 -0.119 0.000 2.061 184 R HA -0.164 4.139 4.340 -0.061 0.000 0.230 184 R C 2.549 178.797 176.300 -0.087 0.000 1.140 184 R CA 1.455 57.509 56.100 -0.077 0.000 0.940 184 R CB -0.179 30.092 30.300 -0.049 0.000 0.839 184 R HN 0.150 nan 8.270 nan 0.000 0.429 185 R N -0.481 119.958 120.500 -0.103 0.000 2.105 185 R HA -0.091 4.213 4.340 -0.061 0.000 0.239 185 R C 1.822 178.066 176.300 -0.094 0.000 1.135 185 R CA 1.765 57.814 56.100 -0.085 0.000 0.967 185 R CB -0.405 29.848 30.300 -0.078 0.000 0.861 185 R HN 0.414 nan 8.270 nan 0.000 0.442 186 G N -0.430 108.279 108.800 -0.152 0.000 2.985 186 G HA2 -0.051 3.872 3.960 -0.061 0.000 0.209 186 G HA3 -0.051 3.872 3.960 -0.061 0.000 0.209 186 G C -0.148 174.698 174.900 -0.091 0.000 1.165 186 G CA -0.213 44.810 45.100 -0.129 0.000 0.776 186 G HN 0.344 nan 8.290 nan 0.000 0.541 187 R N -1.049 119.400 120.500 -0.085 0.000 3.264 187 R HA -0.138 4.166 4.340 -0.061 0.000 0.251 187 R C -0.633 175.637 176.300 -0.051 0.000 0.971 187 R CA 0.251 56.318 56.100 -0.055 0.000 0.658 187 R CB -2.228 28.050 30.300 -0.036 0.000 1.095 187 R HN 0.339 nan 8.270 nan 0.000 0.443 188 L N 0.372 121.554 121.223 -0.069 0.000 2.334 188 L HA 0.410 4.714 4.340 -0.061 0.000 0.272 188 L C 0.721 177.579 176.870 -0.020 0.000 1.020 188 L CA -1.075 53.738 54.840 -0.045 0.000 0.812 188 L CB 1.498 43.518 42.059 -0.064 0.000 1.264 188 L HN 0.023 nan 8.230 nan 0.000 0.439 189 Q N 2.575 122.376 119.800 0.001 0.000 2.230 189 Q HA 0.374 4.677 4.340 -0.061 0.000 0.253 189 Q C -2.306 173.713 176.000 0.030 0.000 0.919 189 Q CA -1.800 54.011 55.803 0.012 0.000 0.908 189 Q CB 1.690 30.434 28.738 0.011 0.000 1.245 189 Q HN 0.297 nan 8.270 nan 0.000 0.437 190 P HA 0.007 nan 4.420 nan 0.000 0.271 190 P C -0.264 177.062 177.300 0.043 0.000 1.216 190 P CA -0.508 62.622 63.100 0.050 0.000 0.771 190 P CB 0.570 32.296 31.700 0.044 0.000 0.864 191 L N 3.496 124.747 121.223 0.047 0.000 2.513 191 L HA 0.155 4.459 4.340 -0.061 0.000 0.272 191 L C 0.101 176.989 176.870 0.029 0.000 1.187 191 L CA 0.792 55.652 54.840 0.033 0.000 0.895 191 L CB -0.543 41.531 42.059 0.026 0.000 1.147 191 L HN 0.321 nan 8.230 nan 0.000 0.483 192 D N 5.310 125.730 120.400 0.035 0.000 2.440 192 D HA 0.197 4.801 4.640 -0.061 0.000 0.239 192 D C -0.081 176.256 176.300 0.062 0.000 1.084 192 D CA -0.292 53.734 54.000 0.044 0.000 0.843 192 D CB 1.011 41.844 40.800 0.056 0.000 1.097 192 D HN 0.660 nan 8.370 nan 0.000 0.531 193 L N 3.296 124.545 121.223 0.043 0.000 2.848 193 L HA 0.057 4.361 4.340 -0.061 0.000 0.240 193 L C 2.048 178.954 176.870 0.060 0.000 1.232 193 L CA -0.163 54.709 54.840 0.052 0.000 1.031 193 L CB -0.031 42.036 42.059 0.014 0.000 1.338 193 L HN 0.324 nan 8.230 nan 0.000 0.509 194 S N -2.205 113.530 115.700 0.059 0.000 2.469 194 S HA -0.205 4.229 4.470 -0.061 0.000 0.238 194 S C 1.433 175.993 174.600 -0.067 0.000 0.998 194 S CA 0.907 59.096 58.200 -0.019 0.000 0.957 194 S CB -0.440 62.716 63.200 -0.073 0.000 0.764 194 S HN 0.534 nan 8.310 nan 0.000 0.514 195 H N 1.520 120.583 119.070 -0.012 0.000 2.547 195 H HA 0.359 4.879 4.556 -0.060 0.000 0.266 195 H C 0.586 175.904 175.328 -0.016 0.000 0.988 195 H CA 0.375 56.412 56.048 -0.018 0.000 1.147 195 H CB -0.104 29.644 29.762 -0.023 0.000 1.365 195 H HN 0.359 nan 8.280 nan 0.000 0.589 196 R N 0.841 121.391 120.500 0.084 0.000 3.656 196 R HA -0.130 4.173 4.340 -0.061 0.000 0.297 196 R C -0.771 175.574 176.300 0.074 0.000 1.166 196 R CA 0.842 56.979 56.100 0.061 0.000 0.799 196 R CB -1.825 28.499 30.300 0.041 0.000 1.285 196 R HN 0.532 nan 8.270 nan 0.000 0.477 197 D N -0.934 119.512 120.400 0.077 0.000 2.615 197 D HA 0.235 4.839 4.640 -0.061 0.000 0.236 197 D C 1.187 177.521 176.300 0.057 0.000 1.233 197 D CA 0.319 54.359 54.000 0.067 0.000 0.829 197 D CB 0.380 41.203 40.800 0.038 0.000 1.024 197 D HN 0.295 nan 8.370 nan 0.000 0.490 198 A N 0.303 123.153 122.820 0.051 0.000 1.972 198 A HA -0.083 4.201 4.320 -0.061 0.000 0.219 198 A C 1.884 179.480 177.584 0.019 0.000 1.169 198 A CA 0.702 52.747 52.037 0.014 0.000 0.635 198 A CB -0.425 18.568 19.000 -0.011 0.000 0.810 198 A HN 0.280 nan 8.150 nan 0.000 0.446 199 L N -0.717 120.552 121.223 0.076 0.000 2.551 199 L HA 0.039 4.343 4.340 -0.061 0.000 0.228 199 L C 2.539 179.463 176.870 0.090 0.000 1.153 199 L CA 1.164 56.062 54.840 0.096 0.000 0.851 199 L CB -0.453 41.720 42.059 0.191 0.000 0.959 199 L HN 0.380 nan 8.230 nan 0.000 0.451 200 A N -1.301 121.567 122.820 0.081 0.000 2.123 200 A HA 0.101 4.384 4.320 -0.061 0.000 0.214 200 A C 2.079 179.680 177.584 0.027 0.000 1.152 200 A CA 0.835 52.913 52.037 0.069 0.000 0.728 200 A CB -0.160 18.880 19.000 0.067 0.000 0.814 200 A HN 0.382 nan 8.150 nan 0.000 0.464 201 L N -1.106 120.120 121.223 0.007 0.000 2.388 201 L HA 0.133 4.436 4.340 -0.061 0.000 0.209 201 L C 0.076 176.923 176.870 -0.037 0.000 1.061 201 L CA 0.254 55.083 54.840 -0.019 0.000 0.834 201 L CB 0.319 42.360 42.059 -0.030 0.000 1.029 201 L HN 0.036 nan 8.230 nan 0.000 0.473 202 V N 2.050 121.934 119.914 -0.051 0.000 2.221 202 V HA 0.364 4.447 4.120 -0.061 0.000 0.258 202 V C -0.459 175.604 176.094 -0.051 0.000 1.179 202 V CA -0.180 62.069 62.300 -0.086 0.000 1.022 202 V CB -0.343 31.384 31.823 -0.160 0.000 1.228 202 V HN 0.332 nan 8.190 nan 0.000 0.487 203 N N 1.835 120.520 118.700 -0.026 0.000 3.348 203 N HA 0.513 5.217 4.740 -0.061 0.000 0.233 203 N C -0.043 175.483 175.510 0.027 0.000 1.440 203 N CA 0.594 53.650 53.050 0.010 0.000 0.887 203 N CB 2.244 40.759 38.487 0.046 0.000 1.410 203 N HN 0.742 nan 8.380 nan 0.000 0.502 204 G N -0.019 108.829 108.800 0.079 0.000 2.645 204 G HA2 -0.241 3.682 3.960 -0.061 0.000 0.239 204 G HA3 -0.241 3.682 3.960 -0.061 0.000 0.239 204 G C 0.178 175.119 174.900 0.069 0.000 1.331 204 G CA 0.506 45.658 45.100 0.087 0.000 0.890 204 G HN 1.202 nan 8.290 nan 0.000 0.572 205 T N -3.159 111.423 114.554 0.047 0.000 3.269 205 T HA 0.573 4.886 4.350 -0.061 0.000 0.269 205 T C 1.788 176.492 174.700 0.007 0.000 0.993 205 T CA 0.945 63.066 62.100 0.033 0.000 0.909 205 T CB 0.470 69.357 68.868 0.032 0.000 1.115 205 T HN 0.838 nan 8.240 nan 0.000 0.543 206 S N 1.730 117.430 115.700 -0.001 0.000 2.374 206 S HA -0.085 4.349 4.470 -0.061 0.000 0.227 206 S C 2.467 177.057 174.600 -0.017 0.000 1.037 206 S CA 1.318 59.509 58.200 -0.015 0.000 1.024 206 S CB -0.581 62.606 63.200 -0.022 0.000 0.861 206 S HN 0.833 nan 8.310 nan 0.000 0.456 207 A N 2.663 125.477 122.820 -0.011 0.000 1.855 207 A HA -0.082 4.202 4.320 -0.061 0.000 0.215 207 A C 2.282 179.867 177.584 0.002 0.000 1.191 207 A CA 1.750 53.782 52.037 -0.009 0.000 0.613 207 A CB -0.796 18.200 19.000 -0.006 0.000 0.829 207 A HN 0.660 nan 8.150 nan 0.000 0.442 208 M N -1.486 118.120 119.600 0.010 0.000 2.159 208 M HA -0.090 4.354 4.480 -0.061 0.000 0.263 208 M C 1.810 178.118 176.300 0.013 0.000 1.063 208 M CA 2.316 57.627 55.300 0.019 0.000 1.110 208 M CB -1.327 31.287 32.600 0.023 0.000 1.374 208 M HN 0.164 nan 8.290 nan 0.000 0.411 209 T N 1.176 115.728 114.554 -0.003 0.000 2.777 209 T HA 0.004 4.318 4.350 -0.061 0.000 0.266 209 T C 1.976 176.674 174.700 -0.004 0.000 1.040 209 T CA 1.656 63.747 62.100 -0.016 0.000 1.141 209 T CB -0.759 68.090 68.868 -0.030 0.000 0.868 209 T HN 0.718 nan 8.240 nan 0.000 0.444 210 G N 1.337 110.133 108.800 -0.008 0.000 2.421 210 G HA2 -0.132 3.792 3.960 -0.061 0.000 0.216 210 G HA3 -0.132 3.792 3.960 -0.061 0.000 0.216 210 G C 1.531 176.443 174.900 0.020 0.000 1.171 210 G CA 0.511 45.605 45.100 -0.010 0.000 0.775 210 G HN 0.482 nan 8.290 nan 0.000 0.543 211 I N 1.423 122.010 120.570 0.029 0.000 2.179 211 I HA -0.188 3.946 4.170 -0.061 0.000 0.242 211 I C 3.286 179.456 176.117 0.088 0.000 1.088 211 I CA 1.083 62.415 61.300 0.053 0.000 1.357 211 I CB -0.226 37.803 38.000 0.048 0.000 1.051 211 I HN 0.242 nan 8.210 nan 0.000 0.409 212 A N 1.209 124.084 122.820 0.092 0.000 1.972 212 A HA -0.170 4.114 4.320 -0.061 0.000 0.219 212 A C 2.240 179.935 177.584 0.185 0.000 1.169 212 A CA 1.747 53.879 52.037 0.159 0.000 0.635 212 A CB -0.800 18.270 19.000 0.117 0.000 0.810 212 A HN 0.523 nan 8.150 nan 0.000 0.446 213 L N -2.025 119.270 121.223 0.119 0.000 2.201 213 L HA 0.020 4.324 4.340 -0.061 0.000 0.212 213 L C 1.918 178.902 176.870 0.191 0.000 1.105 213 L CA 1.550 56.470 54.840 0.132 0.000 0.775 213 L CB -0.995 41.107 42.059 0.073 0.000 0.913 213 L HN 0.000 nan 8.230 nan 0.000 0.440 214 V N 0.768 120.793 119.914 0.184 0.000 2.453 214 V HA -0.135 3.948 4.120 -0.061 0.000 0.247 214 V C 2.402 178.623 176.094 0.212 0.000 1.048 214 V CA 1.580 64.029 62.300 0.248 0.000 1.049 214 V CB -0.936 30.997 31.823 0.184 0.000 0.672 214 V HN 0.499 nan 8.190 nan 0.000 0.457 215 N N 0.927 119.725 118.700 0.162 0.000 2.120 215 N HA -0.108 4.596 4.740 -0.061 0.000 0.188 215 N C 1.928 177.493 175.510 0.091 0.000 1.024 215 N CA 1.639 54.760 53.050 0.119 0.000 0.852 215 N CB -0.526 38.013 38.487 0.087 0.000 1.003 215 N HN 0.471 nan 8.380 nan 0.000 0.424 216 A N 0.476 123.374 122.820 0.130 0.000 1.883 216 A HA -0.225 4.059 4.320 -0.061 0.000 0.217 216 A C 2.130 179.749 177.584 0.059 0.000 1.186 216 A CA 1.928 54.027 52.037 0.104 0.000 0.624 216 A CB -1.018 18.099 19.000 0.196 0.000 0.822 216 A HN 0.441 nan 8.150 nan 0.000 0.444 217 H N -0.206 118.848 119.070 -0.027 0.000 2.321 217 H HA 0.031 4.552 4.556 -0.057 0.000 0.300 217 H C 2.222 177.498 175.328 -0.087 0.000 1.087 217 H CA 2.020 57.974 56.048 -0.156 0.000 1.319 217 H CB -0.274 29.253 29.762 -0.392 0.000 1.379 217 H HN 0.399 nan 8.280 nan 0.000 0.501 218 A N -0.405 122.454 122.820 0.065 0.000 1.902 218 A HA -0.183 4.101 4.320 -0.061 0.000 0.217 218 A C 2.695 180.283 177.584 0.007 0.000 1.181 218 A CA 1.508 53.584 52.037 0.065 0.000 0.623 218 A CB -1.197 17.872 19.000 0.114 0.000 0.818 218 A HN 0.648 nan 8.150 nan 0.000 0.443 219 C N -1.316 118.005 119.300 0.036 0.000 2.432 219 C HA -0.005 4.418 4.460 -0.061 0.000 0.280 219 C C 2.758 177.756 174.990 0.015 0.000 1.353 219 C CA 1.076 60.160 59.018 0.109 0.000 1.766 219 C CB -1.372 26.459 27.740 0.151 0.000 1.924 219 C HN 0.729 nan 8.230 nan 0.000 0.509 220 R N -0.078 120.330 120.500 -0.154 0.000 2.066 220 R HA -0.108 4.196 4.340 -0.061 0.000 0.232 220 R C 2.261 178.372 176.300 -0.314 0.000 1.131 220 R CA 1.437 57.363 56.100 -0.289 0.000 0.955 220 R CB -0.401 29.625 30.300 -0.457 0.000 0.851 220 R HN 0.590 nan 8.270 nan 0.000 0.432 221 H N 0.629 119.577 119.070 -0.203 0.000 2.326 221 H HA -0.087 4.431 4.556 -0.062 0.000 0.301 221 H C 2.200 177.519 175.328 -0.015 0.000 1.081 221 H CA 1.672 57.643 56.048 -0.129 0.000 1.334 221 H CB -0.221 29.463 29.762 -0.131 0.000 1.385 221 H HN 0.236 nan 8.280 nan 0.000 0.504 222 L N -0.118 121.089 121.223 -0.026 0.000 2.083 222 L HA -0.101 4.203 4.340 -0.061 0.000 0.209 222 L C 2.771 179.499 176.870 -0.238 0.000 1.083 222 L CA 1.088 55.727 54.840 -0.334 0.000 0.752 222 L CB -0.831 40.658 42.059 -0.949 0.000 0.899 222 L HN 0.306 nan 8.230 nan 0.000 0.433 223 G N -0.061 108.746 108.800 0.013 0.000 2.422 223 G HA2 -0.258 3.666 3.960 -0.061 0.000 0.218 223 G HA3 -0.258 3.666 3.960 -0.061 0.000 0.218 223 G C 1.408 176.427 174.900 0.198 0.000 1.146 223 G CA 0.582 45.884 45.100 0.337 0.000 0.769 223 G HN 0.324 nan 8.290 nan 0.000 0.547 224 N N 0.042 118.739 118.700 -0.005 0.000 2.188 224 N HA -0.083 4.621 4.740 -0.061 0.000 0.184 224 N C 1.862 177.294 175.510 -0.130 0.000 1.018 224 N CA 0.845 53.827 53.050 -0.112 0.000 0.858 224 N CB -0.318 38.034 38.487 -0.225 0.000 0.989 224 N HN 0.575 nan 8.380 nan 0.000 0.426 225 W N 1.648 122.906 121.300 -0.070 0.000 2.388 225 W HA 0.058 4.674 4.660 -0.074 0.000 0.294 225 W C 2.503 178.999 176.519 -0.039 0.000 1.212 225 W CA 1.101 58.399 57.345 -0.078 0.000 1.271 225 W CB -0.375 28.993 29.460 -0.153 0.000 1.126 225 W HN 0.028 nan 8.180 nan 0.000 0.535 226 A N -0.217 122.726 122.820 0.204 0.000 1.933 226 A HA -0.165 4.119 4.320 -0.061 0.000 0.218 226 A C 1.984 179.654 177.584 0.144 0.000 1.175 226 A CA 2.078 54.244 52.037 0.216 0.000 0.628 226 A CB -1.036 18.177 19.000 0.355 0.000 0.814 226 A HN 0.104 nan 8.150 nan 0.000 0.444 227 V N -0.386 119.600 119.914 0.120 0.000 2.283 227 V HA -0.177 3.907 4.120 -0.061 0.000 0.243 227 V C 3.067 179.152 176.094 -0.014 0.000 1.039 227 V CA 1.798 64.116 62.300 0.030 0.000 1.016 227 V CB -1.183 30.664 31.823 0.041 0.000 0.650 227 V HN 0.603 nan 8.190 nan 0.000 0.449 228 A N -0.128 122.675 122.820 -0.028 0.000 1.908 228 A HA -0.175 4.108 4.320 -0.061 0.000 0.218 228 A C 2.182 179.792 177.584 0.044 0.000 1.181 228 A CA 1.901 53.912 52.037 -0.044 0.000 0.627 228 A CB -0.568 18.325 19.000 -0.178 0.000 0.818 228 A HN 0.518 nan 8.150 nan 0.000 0.445 229 L N -1.087 120.200 121.223 0.107 0.000 2.156 229 L HA -0.100 4.204 4.340 -0.061 0.000 0.208 229 L C 2.655 179.593 176.870 0.112 0.000 1.095 229 L CA 1.467 56.385 54.840 0.130 0.000 0.770 229 L CB -0.814 41.342 42.059 0.162 0.000 0.914 229 L HN 0.313 nan 8.230 nan 0.000 0.439 230 T N 0.082 114.696 114.554 0.099 0.000 2.821 230 T HA -0.118 4.196 4.350 -0.061 0.000 0.267 230 T C 2.061 176.882 174.700 0.202 0.000 1.046 230 T CA 1.294 63.466 62.100 0.121 0.000 1.139 230 T CB -0.109 68.782 68.868 0.039 0.000 0.871 230 T HN 0.430 nan 8.240 nan 0.000 0.454 231 A N 1.251 124.156 122.820 0.142 0.000 1.873 231 A HA 0.012 4.296 4.320 -0.061 0.000 0.215 231 A C 2.204 179.910 177.584 0.204 0.000 1.186 231 A CA 1.136 53.317 52.037 0.239 0.000 0.616 231 A CB -0.799 18.273 19.000 0.119 0.000 0.823 231 A HN 0.388 nan 8.150 nan 0.000 0.442 232 L N -0.726 120.575 121.223 0.130 0.000 2.083 232 L HA -0.091 4.212 4.340 -0.061 0.000 0.209 232 L C 2.228 179.157 176.870 0.098 0.000 1.083 232 L CA 1.781 56.682 54.840 0.100 0.000 0.752 232 L CB -0.678 41.431 42.059 0.083 0.000 0.899 232 L HN 0.384 nan 8.230 nan 0.000 0.433 233 L N -0.166 121.125 121.223 0.114 0.000 2.042 233 L HA -0.134 4.169 4.340 -0.061 0.000 0.210 233 L C 2.477 179.405 176.870 0.096 0.000 1.076 233 L CA 2.092 56.989 54.840 0.096 0.000 0.749 233 L CB -1.002 41.124 42.059 0.112 0.000 0.893 233 L HN 0.264 nan 8.230 nan 0.000 0.432 234 A N -0.962 121.946 122.820 0.147 0.000 1.972 234 A HA -0.198 4.086 4.320 -0.061 0.000 0.219 234 A C 2.121 179.726 177.584 0.035 0.000 1.169 234 A CA 1.744 53.829 52.037 0.079 0.000 0.635 234 A CB -0.566 18.488 19.000 0.089 0.000 0.810 234 A HN 0.651 nan 8.150 nan 0.000 0.446 235 E N -1.209 119.029 120.200 0.062 0.000 2.358 235 E HA -0.083 4.230 4.350 -0.061 0.000 0.195 235 E C 1.525 178.142 176.600 0.027 0.000 1.010 235 E CA 0.786 57.210 56.400 0.040 0.000 0.856 235 E CB -0.189 29.543 29.700 0.052 0.000 0.795 235 E HN 0.672 nan 8.360 nan 0.000 0.504 236 C N 0.081 119.399 119.300 0.030 0.000 2.634 236 C HA 0.171 4.594 4.460 -0.061 0.000 0.268 236 C C 1.766 176.761 174.990 0.008 0.000 1.322 236 C CA 0.057 59.086 59.018 0.018 0.000 1.737 236 C CB -0.237 27.514 27.740 0.019 0.000 1.976 236 C HN 0.324 nan 8.230 nan 0.000 0.547 237 L N -0.302 120.926 121.223 0.007 0.000 3.122 237 L HA 0.285 4.588 4.340 -0.061 0.000 0.274 237 L C 0.383 177.243 176.870 -0.015 0.000 1.222 237 L CA -0.048 54.790 54.840 -0.003 0.000 1.028 237 L CB -0.207 41.854 42.059 0.003 0.000 1.386 237 L HN 0.199 nan 8.230 nan 0.000 0.578 238 R N 0.610 121.100 120.500 -0.017 0.000 3.336 238 R HA -0.141 4.163 4.340 -0.061 0.000 0.260 238 R C 0.656 176.920 176.300 -0.058 0.000 1.032 238 R CA 0.417 56.499 56.100 -0.030 0.000 0.693 238 R CB -2.024 28.261 30.300 -0.024 0.000 1.134 238 R HN 0.477 nan 8.270 nan 0.000 0.433 239 G N 0.729 109.479 108.800 -0.083 0.000 2.554 239 G HA2 0.184 4.107 3.960 -0.061 0.000 0.238 239 G HA3 0.184 4.107 3.960 -0.061 0.000 0.238 239 G C 0.085 174.842 174.900 -0.238 0.000 1.259 239 G CA -0.532 44.472 45.100 -0.161 0.000 0.843 239 G HN 0.232 nan 8.290 nan 0.000 0.582 240 R N 0.494 120.824 120.500 -0.284 0.000 2.265 240 R HA 0.244 4.548 4.340 -0.061 0.000 0.314 240 R C 1.533 177.537 176.300 -0.493 0.000 1.053 240 R CA 0.202 56.135 56.100 -0.278 0.000 0.931 240 R CB 0.922 31.114 30.300 -0.180 0.000 1.024 240 R HN 0.696 nan 8.270 nan 0.000 0.457 241 T N -1.320 113.004 114.554 -0.383 0.000 3.088 241 T HA -0.109 4.205 4.350 -0.061 0.000 0.259 241 T C 1.406 175.979 174.700 -0.212 0.000 1.122 241 T CA 0.716 62.578 62.100 -0.397 0.000 1.095 241 T CB -0.018 68.758 68.868 -0.153 0.000 0.930 241 T HN 0.744 nan 8.240 nan 0.000 0.508 242 E N 1.862 121.969 120.200 -0.155 0.000 2.204 242 E HA -0.028 4.286 4.350 -0.061 0.000 0.195 242 E C 2.219 178.799 176.600 -0.032 0.000 0.990 242 E CA 0.944 57.307 56.400 -0.061 0.000 0.821 242 E CB -0.576 29.098 29.700 -0.042 0.000 0.750 242 E HN 0.596 nan 8.360 nan 0.000 0.477 243 A N 0.670 123.427 122.820 -0.105 0.000 2.121 243 A HA -0.083 4.200 4.320 -0.061 0.000 0.218 243 A C 0.969 178.705 177.584 0.253 0.000 1.154 243 A CA 0.669 52.712 52.037 0.009 0.000 0.679 243 A CB -0.602 18.369 19.000 -0.048 0.000 0.795 243 A HN 0.496 nan 8.150 nan 0.000 0.458 244 W N -0.447 120.855 121.300 0.004 0.000 3.239 244 W HA 0.596 5.233 4.660 -0.037 0.000 0.368 244 W C 0.855 177.378 176.519 0.007 0.000 1.154 244 W CA -1.067 56.282 57.345 0.007 0.000 1.860 244 W CB -1.277 28.190 29.460 0.012 0.000 1.094 244 W HN 0.335 nan 8.180 nan 0.000 0.643 245 A N 0.880 123.815 122.820 0.192 0.000 2.531 245 A HA 0.415 4.699 4.320 -0.061 0.000 0.236 245 A C 1.699 179.338 177.584 0.091 0.000 1.062 245 A CA 0.733 52.837 52.037 0.112 0.000 0.760 245 A CB 0.546 19.584 19.000 0.064 0.000 0.995 245 A HN 0.249 nan 8.150 nan 0.000 0.501 246 A N 2.330 125.190 122.820 0.067 0.000 1.972 246 A HA 0.127 4.410 4.320 -0.061 0.000 0.219 246 A C 2.367 179.973 177.584 0.037 0.000 1.169 246 A CA 2.236 54.302 52.037 0.048 0.000 0.635 246 A CB -0.987 18.034 19.000 0.036 0.000 0.810 246 A HN 1.777 nan 8.150 nan 0.000 0.446 247 A N -0.238 122.601 122.820 0.033 0.000 1.940 247 A HA -0.105 4.178 4.320 -0.061 0.000 0.219 247 A C 2.153 179.751 177.584 0.023 0.000 1.176 247 A CA 1.580 53.631 52.037 0.023 0.000 0.631 247 A CB -0.550 18.462 19.000 0.019 0.000 0.814 247 A HN 0.498 nan 8.150 nan 0.000 0.446 248 L N -0.702 120.542 121.223 0.035 0.000 2.056 248 L HA -0.139 4.165 4.340 -0.061 0.000 0.207 248 L C 2.861 179.749 176.870 0.030 0.000 1.078 248 L CA 1.387 56.247 54.840 0.034 0.000 0.749 248 L CB -0.412 41.677 42.059 0.051 0.000 0.901 248 L HN 0.347 nan 8.230 nan 0.000 0.433 249 S N -0.278 115.443 115.700 0.036 0.000 2.368 249 S HA -0.193 4.241 4.470 -0.061 0.000 0.225 249 S C 1.501 176.109 174.600 0.012 0.000 1.030 249 S CA 1.379 59.598 58.200 0.031 0.000 0.999 249 S CB -0.310 62.911 63.200 0.035 0.000 0.844 249 S HN 0.447 nan 8.310 nan 0.000 0.459 250 D N 1.383 121.788 120.400 0.009 0.000 2.178 250 D HA -0.037 4.567 4.640 -0.061 0.000 0.201 250 D C 1.712 178.004 176.300 -0.014 0.000 0.980 250 D CA 0.726 54.724 54.000 -0.003 0.000 0.842 250 D CB -0.242 40.558 40.800 0.001 0.000 0.948 250 D HN 0.343 nan 8.370 nan 0.000 0.472 251 L N -0.530 120.688 121.223 -0.009 0.000 2.313 251 L HA 0.021 4.324 4.340 -0.061 0.000 0.214 251 L C 1.554 178.405 176.870 -0.031 0.000 1.119 251 L CA 0.485 55.315 54.840 -0.016 0.000 0.809 251 L CB 0.168 42.223 42.059 -0.006 0.000 0.933 251 L HN -0.186 nan 8.230 nan 0.000 0.449 252 R N 0.776 121.256 120.500 -0.033 0.000 2.644 252 R HA 0.191 4.494 4.340 -0.061 0.000 0.271 252 R C -2.179 174.065 176.300 -0.095 0.000 1.687 252 R CA -1.357 54.704 56.100 -0.065 0.000 1.655 252 R CB 0.913 31.216 30.300 0.005 0.000 1.285 252 R HN -0.153 nan 8.270 nan 0.000 0.643 253 P HA -0.093 nan 4.420 nan 0.000 0.311 253 P C -0.643 176.584 177.300 -0.120 0.000 1.543 253 P CA 0.274 63.309 63.100 -0.108 0.000 0.766 253 P CB -0.331 31.314 31.700 -0.091 0.000 1.711 254 H N 0.798 119.869 119.070 0.003 0.000 2.848 254 H HA 0.080 4.601 4.556 -0.059 0.000 0.317 254 H C -1.293 174.048 175.328 0.021 0.000 1.046 254 H CA -1.415 54.637 56.048 0.007 0.000 1.470 254 H CB 0.464 30.226 29.762 -0.000 0.000 1.483 254 H HN 0.083 nan 8.280 nan 0.000 0.548 255 P HA -0.172 nan 4.420 nan 0.000 0.215 255 P C 1.664 179.037 177.300 0.122 0.000 1.163 255 P CA 1.777 64.938 63.100 0.102 0.000 0.894 255 P CB 0.073 31.827 31.700 0.090 0.000 0.791 256 G N -0.476 108.416 108.800 0.153 0.000 2.442 256 G HA2 -0.319 3.604 3.960 -0.061 0.000 0.219 256 G HA3 -0.319 3.604 3.960 -0.061 0.000 0.219 256 G C 1.686 176.697 174.900 0.184 0.000 1.141 256 G CA 0.827 46.052 45.100 0.208 0.000 0.763 256 G HN 0.334 nan 8.290 nan 0.000 0.554 257 Q N 0.078 119.949 119.800 0.118 0.000 2.083 257 Q HA -0.062 4.242 4.340 -0.061 0.000 0.198 257 Q C 2.481 178.520 176.000 0.066 0.000 0.969 257 Q CA 1.522 57.367 55.803 0.069 0.000 0.838 257 Q CB -0.203 28.585 28.738 0.085 0.000 0.900 257 Q HN 0.511 nan 8.270 nan 0.000 0.436 258 K N 0.191 120.636 120.400 0.075 0.000 2.063 258 K HA -0.238 4.046 4.320 -0.061 0.000 0.208 258 K C 1.658 178.286 176.600 0.046 0.000 1.048 258 K CA 1.937 58.255 56.287 0.051 0.000 0.928 258 K CB -0.174 32.352 32.500 0.044 0.000 0.713 258 K HN 0.203 nan 8.250 nan 0.000 0.442 259 D N -0.260 120.181 120.400 0.068 0.000 2.117 259 D HA -0.087 4.517 4.640 -0.061 0.000 0.198 259 D C 1.700 178.046 176.300 0.075 0.000 0.982 259 D CA 1.401 55.434 54.000 0.055 0.000 0.828 259 D CB -0.032 40.799 40.800 0.050 0.000 0.967 259 D HN 0.329 nan 8.370 nan 0.000 0.464 260 A N 0.526 123.437 122.820 0.153 0.000 1.877 260 A HA 0.022 4.305 4.320 -0.061 0.000 0.216 260 A C 2.382 179.928 177.584 -0.064 0.000 1.186 260 A CA 2.231 54.348 52.037 0.133 0.000 0.620 260 A CB -1.120 17.913 19.000 0.056 0.000 0.822 260 A HN 0.322 nan 8.150 nan 0.000 0.443 261 A N -0.278 122.501 122.820 -0.069 0.000 1.933 261 A HA 0.188 4.472 4.320 -0.061 0.000 0.218 261 A C 2.480 180.034 177.584 -0.050 0.000 1.175 261 A CA 2.018 53.993 52.037 -0.102 0.000 0.628 261 A CB -0.925 18.070 19.000 -0.007 0.000 0.814 261 A HN 1.032 nan 8.150 nan 0.000 0.444 262 A N -0.213 122.598 122.820 -0.014 0.000 1.898 262 A HA -0.117 4.167 4.320 -0.061 0.000 0.216 262 A C 2.227 179.798 177.584 -0.021 0.000 1.181 262 A CA 1.470 53.506 52.037 -0.002 0.000 0.620 262 A CB -0.394 18.607 19.000 0.002 0.000 0.819 262 A HN 0.535 nan 8.150 nan 0.000 0.442 263 R N -0.591 119.884 120.500 -0.042 0.000 2.092 263 R HA 0.059 4.363 4.340 -0.061 0.000 0.231 263 R C 1.972 178.220 176.300 -0.087 0.000 1.119 263 R CA 1.160 57.225 56.100 -0.057 0.000 0.970 263 R CB -0.410 29.859 30.300 -0.051 0.000 0.864 263 R HN 0.486 nan 8.270 nan 0.000 0.440 264 L N 0.143 121.262 121.223 -0.174 0.000 2.056 264 L HA -0.142 4.162 4.340 -0.061 0.000 0.207 264 L C 2.509 179.361 176.870 -0.029 0.000 1.078 264 L CA 1.355 56.011 54.840 -0.308 0.000 0.749 264 L CB -0.304 41.195 42.059 -0.932 0.000 0.901 264 L HN 0.139 nan 8.230 nan 0.000 0.433 265 R N -0.124 120.412 120.500 0.059 0.000 2.081 265 R HA -0.136 4.168 4.340 -0.061 0.000 0.235 265 R C 2.383 178.740 176.300 0.095 0.000 1.131 265 R CA 1.339 57.536 56.100 0.162 0.000 0.960 265 R CB -0.485 29.893 30.300 0.131 0.000 0.856 265 R HN 0.350 nan 8.270 nan 0.000 0.436 266 A N 1.221 124.064 122.820 0.039 0.000 1.930 266 A HA -0.121 4.162 4.320 -0.061 0.000 0.217 266 A C 2.022 179.618 177.584 0.021 0.000 1.175 266 A CA 0.980 53.029 52.037 0.020 0.000 0.627 266 A CB -0.215 18.782 19.000 -0.006 0.000 0.815 266 A HN 0.091 nan 8.150 nan 0.000 0.443 267 R N -0.166 120.345 120.500 0.019 0.000 2.096 267 R HA -0.104 4.200 4.340 -0.061 0.000 0.235 267 R C 1.845 178.181 176.300 0.060 0.000 1.127 267 R CA 1.730 57.842 56.100 0.020 0.000 0.968 267 R CB -1.237 29.065 30.300 0.005 0.000 0.861 267 R HN 0.656 nan 8.270 nan 0.000 0.440 268 V N -0.791 119.189 119.914 0.111 0.000 3.514 268 V HA 0.123 4.207 4.120 -0.061 0.000 0.301 268 V C 0.132 176.273 176.094 0.078 0.000 1.346 268 V CA -0.641 61.730 62.300 0.118 0.000 1.156 268 V CB -0.528 31.409 31.823 0.191 0.000 1.029 268 V HN -0.091 nan 8.190 nan 0.000 0.428 269 D N 1.457 121.893 120.400 0.060 0.000 2.458 269 D HA 0.429 5.033 4.640 -0.061 0.000 0.243 269 D C 1.444 177.761 176.300 0.029 0.000 1.146 269 D CA 1.804 55.828 54.000 0.040 0.000 0.877 269 D CB 0.618 41.436 40.800 0.029 0.000 1.176 269 D HN 0.568 nan 8.370 nan 0.000 0.461 270 G N 2.415 111.228 108.800 0.022 0.000 2.176 270 G HA2 -0.263 3.661 3.960 -0.061 0.000 0.253 270 G HA3 -0.263 3.661 3.960 -0.061 0.000 0.253 270 G C 0.430 175.342 174.900 0.019 0.000 0.979 270 G CA 0.348 45.458 45.100 0.016 0.000 0.641 270 G HN 0.772 nan 8.290 nan 0.000 0.530 271 S N -0.048 115.666 115.700 0.025 0.000 2.565 271 S HA 0.691 5.124 4.470 -0.061 0.000 0.274 271 S C 1.207 175.817 174.600 0.017 0.000 1.309 271 S CA 0.766 58.981 58.200 0.025 0.000 1.043 271 S CB 1.363 64.585 63.200 0.036 0.000 0.939 271 S HN 1.584 nan 8.310 nan 0.000 0.504 272 A N 5.107 127.937 122.820 0.017 0.000 2.431 272 A HA 0.336 4.619 4.320 -0.061 0.000 0.239 272 A C 1.669 179.263 177.584 0.016 0.000 1.230 272 A CA -0.326 51.720 52.037 0.015 0.000 0.928 272 A CB 0.099 19.108 19.000 0.015 0.000 1.006 272 A HN 0.716 nan 8.150 nan 0.000 0.520 273 R N -0.031 120.478 120.500 0.015 0.000 2.312 273 R HA 0.114 4.417 4.340 -0.061 0.000 0.205 273 R C 0.590 176.892 176.300 0.003 0.000 0.904 273 R CA 0.779 56.886 56.100 0.012 0.000 1.052 273 R CB -0.280 30.030 30.300 0.016 0.000 1.014 273 R HN 0.491 nan 8.270 nan 0.000 0.503 274 V N -1.805 118.108 119.914 -0.003 0.000 2.834 274 V HA 0.499 4.583 4.120 -0.061 0.000 0.313 274 V C 0.422 176.504 176.094 -0.020 0.000 1.060 274 V CA -1.020 61.261 62.300 -0.031 0.000 0.989 274 V CB 2.217 34.009 31.823 -0.052 0.000 1.041 274 V HN -0.271 nan 8.190 nan 0.000 0.459 275 V N 4.052 123.944 119.914 -0.037 0.000 2.406 275 V HA 0.440 4.523 4.120 -0.061 0.000 0.272 275 V C 1.045 177.133 176.094 -0.009 0.000 1.043 275 V CA -0.204 62.107 62.300 0.020 0.000 0.915 275 V CB 0.678 32.506 31.823 0.008 0.000 0.988 275 V HN 0.945 nan 8.190 nan 0.000 0.466 276 R N 1.600 122.102 120.500 0.004 0.000 2.397 276 R HA 0.190 4.494 4.340 -0.061 0.000 0.241 276 R C -0.204 176.027 176.300 -0.115 0.000 0.914 276 R CA -0.211 55.836 56.100 -0.089 0.000 1.071 276 R CB 0.204 30.423 30.300 -0.135 0.000 1.116 276 R HN 0.739 nan 8.270 nan 0.000 0.524 277 H N 0.233 119.279 119.070 -0.040 0.000 2.848 277 H HA 0.069 4.588 4.556 -0.062 0.000 0.317 277 H C -0.180 175.128 175.328 -0.034 0.000 1.046 277 H CA -0.073 55.957 56.048 -0.031 0.000 1.470 277 H CB 0.809 30.555 29.762 -0.027 0.000 1.483 277 H HN -0.204 nan 8.280 nan 0.000 0.548 278 V N 6.218 126.170 119.914 0.064 0.000 2.439 278 V HA -0.060 4.024 4.120 -0.061 0.000 0.271 278 V C 1.917 178.037 176.094 0.043 0.000 1.040 278 V CA 0.123 62.442 62.300 0.032 0.000 1.002 278 V CB -0.281 31.550 31.823 0.013 0.000 1.000 278 V HN 0.837 nan 8.190 nan 0.000 0.477 279 I N 3.467 124.053 120.570 0.027 0.000 2.335 279 I HA -0.160 3.974 4.170 -0.061 0.000 0.251 279 I C 2.125 178.250 176.117 0.013 0.000 1.129 279 I CA 2.008 63.318 61.300 0.017 0.000 1.402 279 I CB -0.315 37.687 38.000 0.004 0.000 1.069 279 I HN 0.566 nan 8.210 nan 0.000 0.424 280 A N 1.123 123.950 122.820 0.012 0.000 2.125 280 A HA -0.149 4.135 4.320 -0.061 0.000 0.219 280 A C 2.143 179.734 177.584 0.012 0.000 1.156 280 A CA 1.507 53.550 52.037 0.009 0.000 0.671 280 A CB -0.705 18.299 19.000 0.008 0.000 0.794 280 A HN 0.663 nan 8.150 nan 0.000 0.459 281 E N -0.409 119.802 120.200 0.018 0.000 2.268 281 E HA -0.106 4.207 4.350 -0.061 0.000 0.195 281 E C 1.223 177.834 176.600 0.018 0.000 0.995 281 E CA 0.067 56.479 56.400 0.020 0.000 0.836 281 E CB -0.062 29.657 29.700 0.032 0.000 0.763 281 E HN 0.539 nan 8.360 nan 0.000 0.491 282 R N 1.852 122.361 120.500 0.015 0.000 2.389 282 R HA 0.098 4.402 4.340 -0.061 0.000 0.295 282 R C -0.563 175.738 176.300 0.003 0.000 1.075 282 R CA -0.073 56.031 56.100 0.006 0.000 1.005 282 R CB 0.491 30.789 30.300 -0.002 0.000 0.987 282 R HN -0.081 nan 8.270 nan 0.000 0.452 283 R N 5.291 125.792 120.500 0.001 0.000 2.294 283 R HA 0.299 4.603 4.340 -0.061 0.000 0.319 283 R C -0.505 175.793 176.300 -0.003 0.000 0.984 283 R CA -0.642 55.458 56.100 0.000 0.000 0.861 283 R CB 1.232 31.532 30.300 0.001 0.000 1.104 283 R HN 0.480 nan 8.270 nan 0.000 0.451 284 L N 3.372 124.593 121.223 -0.003 0.000 2.334 284 L HA 0.288 4.591 4.340 -0.061 0.000 0.277 284 L C 0.662 177.529 176.870 -0.004 0.000 1.075 284 L CA -0.454 54.383 54.840 -0.005 0.000 0.804 284 L CB 0.746 42.802 42.059 -0.005 0.000 1.174 284 L HN 0.682 nan 8.230 nan 0.000 0.438 285 D N 1.842 122.239 120.400 -0.005 0.000 2.506 285 D HA 0.321 4.925 4.640 -0.061 0.000 0.254 285 D C 0.639 176.936 176.300 -0.005 0.000 1.089 285 D CA -0.454 53.543 54.000 -0.004 0.000 1.050 285 D CB 1.813 42.610 40.800 -0.005 0.000 1.221 285 D HN 0.461 nan 8.370 nan 0.000 0.589 286 A N 0.033 122.851 122.820 -0.004 0.000 1.940 286 A HA -0.016 4.268 4.320 -0.061 0.000 0.219 286 A C 2.043 179.624 177.584 -0.005 0.000 1.176 286 A CA 2.042 54.076 52.037 -0.004 0.000 0.631 286 A CB -1.372 17.626 19.000 -0.003 0.000 0.814 286 A HN 0.708 nan 8.150 nan 0.000 0.446 287 G N -0.961 107.835 108.800 -0.005 0.000 2.598 287 G HA2 -0.080 3.843 3.960 -0.061 0.000 0.215 287 G HA3 -0.080 3.843 3.960 -0.061 0.000 0.215 287 G C 0.911 175.807 174.900 -0.007 0.000 1.131 287 G CA 0.966 46.063 45.100 -0.006 0.000 0.785 287 G HN 0.476 nan 8.290 nan 0.000 0.539 288 D N 0.397 120.793 120.400 -0.008 0.000 2.271 288 D HA 0.007 4.610 4.640 -0.061 0.000 0.206 288 D C 1.182 177.477 176.300 -0.008 0.000 0.967 288 D CA -0.060 53.934 54.000 -0.009 0.000 0.867 288 D CB 0.277 41.071 40.800 -0.010 0.000 0.960 288 D HN 0.107 nan 8.370 nan 0.000 0.509 289 I N 1.581 122.147 120.570 -0.007 0.000 2.845 289 I HA 0.200 4.333 4.170 -0.061 0.000 0.290 289 I C 1.390 177.504 176.117 -0.006 0.000 1.202 289 I CA 0.986 62.282 61.300 -0.006 0.000 1.406 289 I CB -0.422 37.575 38.000 -0.005 0.000 1.383 289 I HN 0.018 nan 8.210 nan 0.000 0.549 290 G N 5.710 114.507 108.800 -0.007 0.000 2.399 290 G HA2 0.169 4.093 3.960 -0.061 0.000 0.256 290 G HA3 0.169 4.093 3.960 -0.061 0.000 0.256 290 G C -1.127 173.769 174.900 -0.008 0.000 1.236 290 G CA -0.597 44.499 45.100 -0.007 0.000 0.914 290 G HN 0.352 nan 8.290 nan 0.000 0.482 291 T N 2.083 116.632 114.554 -0.008 0.000 2.770 291 T HA 0.545 4.858 4.350 -0.061 0.000 0.297 291 T C -0.095 174.599 174.700 -0.011 0.000 0.997 291 T CA -0.224 61.871 62.100 -0.009 0.000 0.949 291 T CB 1.211 70.074 68.868 -0.008 0.000 0.941 291 T HN 0.440 nan 8.240 nan 0.000 0.457 292 E N 3.178 123.371 120.200 -0.012 0.000 2.345 292 E HA 0.162 4.476 4.350 -0.061 0.000 0.259 292 E C -1.212 175.380 176.600 -0.015 0.000 1.117 292 E CA -1.885 54.506 56.400 -0.015 0.000 0.913 292 E CB 0.558 30.248 29.700 -0.017 0.000 1.057 292 E HN 0.318 nan 8.360 nan 0.000 0.432 293 P HA -0.120 nan 4.420 nan 0.000 0.216 293 P C -0.557 176.732 177.300 -0.017 0.000 1.153 293 P CA 1.364 64.454 63.100 -0.017 0.000 0.848 293 P CB 0.321 32.010 31.700 -0.018 0.000 0.787 294 E N -1.510 118.679 120.200 -0.019 0.000 2.369 294 E HA 0.617 4.930 4.350 -0.061 0.000 0.270 294 E C -0.924 175.667 176.600 -0.016 0.000 0.909 294 E CA -1.196 55.194 56.400 -0.018 0.000 0.775 294 E CB 1.922 31.610 29.700 -0.020 0.000 1.270 294 E HN -0.100 nan 8.360 nan 0.000 0.445 295 A N 0.389 123.201 122.820 -0.013 0.000 2.313 295 A HA 0.456 4.739 4.320 -0.061 0.000 0.261 295 A C 1.138 178.716 177.584 -0.010 0.000 1.090 295 A CA 0.271 52.304 52.037 -0.008 0.000 0.807 295 A CB 0.108 19.107 19.000 -0.002 0.000 1.055 295 A HN 0.773 nan 8.150 nan 0.000 0.492 296 G N -0.771 108.025 108.800 -0.007 0.000 2.848 296 G HA2 0.283 4.207 3.960 -0.061 0.000 0.208 296 G HA3 0.283 4.207 3.960 -0.061 0.000 0.208 296 G C 0.423 175.317 174.900 -0.009 0.000 1.152 296 G CA 0.355 45.449 45.100 -0.009 0.000 0.789 296 G HN 0.711 nan 8.290 nan 0.000 0.531 297 Q N 0.163 119.964 119.800 0.001 0.000 2.421 297 Q HA 0.318 4.622 4.340 -0.061 0.000 0.280 297 Q C -1.493 174.516 176.000 0.015 0.000 1.085 297 Q CA -1.050 54.757 55.803 0.007 0.000 0.807 297 Q CB 2.064 30.822 28.738 0.034 0.000 1.405 297 Q HN 0.015 nan 8.270 nan 0.000 0.419 298 D N 0.710 121.117 120.400 0.011 0.000 2.383 298 D HA 0.381 4.985 4.640 -0.061 0.000 0.248 298 D C -0.156 176.199 176.300 0.092 0.000 1.170 298 D CA -0.130 53.886 54.000 0.025 0.000 0.977 298 D CB 0.795 41.594 40.800 -0.002 0.000 1.120 298 D HN 0.623 nan 8.370 nan 0.000 0.481 299 A N 0.286 123.156 122.820 0.084 0.000 2.386 299 A HA 0.032 4.316 4.320 -0.061 0.000 0.246 299 A C 0.630 178.367 177.584 0.256 0.000 1.089 299 A CA -0.127 51.976 52.037 0.110 0.000 0.790 299 A CB -0.082 18.939 19.000 0.035 0.000 1.042 299 A HN 0.530 nan 8.150 nan 0.000 0.497 300 Y N 1.032 121.349 120.300 0.028 0.000 2.193 300 Y HA -0.225 4.286 4.550 -0.066 0.000 0.285 300 Y C 2.968 178.903 175.900 0.058 0.000 1.166 300 Y CA 1.736 59.859 58.100 0.040 0.000 1.181 300 Y CB -1.330 37.144 38.460 0.024 0.000 0.976 300 Y HN 0.754 nan 8.280 nan 0.000 0.520 301 S N -0.967 114.863 115.700 0.216 0.000 2.493 301 S HA -0.136 4.298 4.470 -0.061 0.000 0.243 301 S C 1.802 176.507 174.600 0.176 0.000 0.991 301 S CA 1.269 59.561 58.200 0.153 0.000 0.957 301 S CB -0.578 62.687 63.200 0.109 0.000 0.756 301 S HN 0.474 nan 8.310 nan 0.000 0.521 302 L N -0.376 120.969 121.223 0.204 0.000 2.588 302 L HA 0.349 4.653 4.340 -0.061 0.000 0.194 302 L C 2.751 179.832 176.870 0.353 0.000 1.070 302 L CA 0.274 55.281 54.840 0.278 0.000 0.852 302 L CB -0.222 41.935 42.059 0.163 0.000 1.199 302 L HN 0.182 nan 8.230 nan 0.000 0.486 303 R N -0.015 120.610 120.500 0.209 0.000 2.096 303 R HA -0.136 4.168 4.340 -0.061 0.000 0.235 303 R C 1.471 177.866 176.300 0.159 0.000 1.127 303 R CA 1.751 57.948 56.100 0.162 0.000 0.968 303 R CB -0.179 30.176 30.300 0.092 0.000 0.861 303 R HN 0.389 nan 8.270 nan 0.000 0.440 304 C N 0.316 119.669 119.300 0.088 0.000 2.688 304 C HA 0.450 4.874 4.460 -0.061 0.000 0.297 304 C C 2.047 177.048 174.990 0.020 0.000 1.308 304 C CA -0.412 58.598 59.018 -0.013 0.000 1.726 304 C CB -0.399 27.236 27.740 -0.174 0.000 1.982 304 C HN 0.619 nan 8.230 nan 0.000 0.604 305 A N 2.644 125.522 122.820 0.096 0.000 1.908 305 A HA -0.088 4.196 4.320 -0.061 0.000 0.218 305 A C 0.011 177.514 177.584 -0.135 0.000 1.181 305 A CA 1.763 53.791 52.037 -0.014 0.000 0.627 305 A CB -1.516 17.480 19.000 -0.007 0.000 0.818 305 A HN 0.413 nan 8.150 nan 0.000 0.445 306 P HA -0.159 nan 4.420 nan 0.000 0.215 306 P C 1.284 178.516 177.300 -0.113 0.000 1.157 306 P CA 1.541 64.551 63.100 -0.150 0.000 0.868 306 P CB -0.062 31.593 31.700 -0.076 0.000 0.788 307 Q N -0.920 118.832 119.800 -0.080 0.000 2.079 307 Q HA -0.084 4.220 4.340 -0.061 0.000 0.200 307 Q C 2.143 178.063 176.000 -0.134 0.000 0.974 307 Q CA 1.273 57.024 55.803 -0.087 0.000 0.840 307 Q CB -1.415 27.279 28.738 -0.074 0.000 0.898 307 Q HN 0.093 nan 8.270 nan 0.000 0.430 308 V N 0.274 120.106 119.914 -0.137 0.000 2.323 308 V HA -0.191 3.892 4.120 -0.061 0.000 0.244 308 V C 2.083 178.025 176.094 -0.252 0.000 1.041 308 V CA 1.404 63.609 62.300 -0.158 0.000 1.025 308 V CB -0.552 31.206 31.823 -0.110 0.000 0.656 308 V HN 0.304 nan 8.190 nan 0.000 0.451 309 L N 0.516 121.546 121.223 -0.321 0.000 2.083 309 L HA -0.083 4.220 4.340 -0.061 0.000 0.209 309 L C 2.659 179.040 176.870 -0.816 0.000 1.083 309 L CA 1.721 56.188 54.840 -0.621 0.000 0.752 309 L CB -1.178 40.518 42.059 -0.606 0.000 0.899 309 L HN 0.481 nan 8.230 nan 0.000 0.433 310 G N -0.311 108.238 108.800 -0.418 0.000 2.440 310 G HA2 -0.266 3.658 3.960 -0.061 0.000 0.218 310 G HA3 -0.266 3.658 3.960 -0.061 0.000 0.218 310 G C 1.764 176.577 174.900 -0.144 0.000 1.154 310 G CA 0.831 45.815 45.100 -0.193 0.000 0.767 310 G HN 0.472 nan 8.290 nan 0.000 0.552 311 A N 0.730 123.435 122.820 -0.192 0.000 1.930 311 A HA 0.195 4.479 4.320 -0.061 0.000 0.217 311 A C 2.667 180.182 177.584 -0.115 0.000 1.175 311 A CA 1.998 53.936 52.037 -0.165 0.000 0.627 311 A CB -0.884 18.007 19.000 -0.181 0.000 0.815 311 A HN 0.505 nan 8.150 nan 0.000 0.443 312 G N -1.103 107.586 108.800 -0.185 0.000 2.402 312 G HA2 -0.089 3.835 3.960 -0.061 0.000 0.216 312 G HA3 -0.089 3.835 3.960 -0.061 0.000 0.216 312 G C 1.271 176.219 174.900 0.080 0.000 1.162 312 G CA 0.984 46.010 45.100 -0.124 0.000 0.777 312 G HN 0.377 nan 8.290 nan 0.000 0.539 313 F N 1.706 121.661 119.950 0.009 0.000 2.186 313 F HA 0.044 4.582 4.527 0.018 0.000 0.299 313 F C 2.296 178.122 175.800 0.043 0.000 1.090 313 F CA 0.399 58.416 58.000 0.028 0.000 1.307 313 F CB -0.575 38.435 39.000 0.016 0.000 1.019 313 F HN 0.104 nan 8.300 nan 0.000 0.489 314 D N -0.586 119.941 120.400 0.212 0.000 2.178 314 D HA -0.102 4.502 4.640 -0.061 0.000 0.202 314 D C 2.232 178.641 176.300 0.182 0.000 0.974 314 D CA 1.437 55.530 54.000 0.155 0.000 0.841 314 D CB -0.393 40.449 40.800 0.069 0.000 0.953 314 D HN 0.190 nan 8.370 nan 0.000 0.478 315 T N 1.140 115.791 114.554 0.162 0.000 2.777 315 T HA -0.118 4.196 4.350 -0.061 0.000 0.266 315 T C 1.906 176.774 174.700 0.281 0.000 1.040 315 T CA 0.414 62.649 62.100 0.226 0.000 1.141 315 T CB -0.239 68.713 68.868 0.140 0.000 0.868 315 T HN 0.041 nan 8.240 nan 0.000 0.444 316 L N 1.534 122.883 121.223 0.210 0.000 2.083 316 L HA 0.087 4.391 4.340 -0.061 0.000 0.209 316 L C 2.572 179.566 176.870 0.206 0.000 1.083 316 L CA 1.753 56.696 54.840 0.171 0.000 0.752 316 L CB -1.025 41.125 42.059 0.152 0.000 0.899 316 L HN 0.219 nan 8.230 nan 0.000 0.433 317 A N -1.161 121.782 122.820 0.205 0.000 1.902 317 A HA -0.282 4.002 4.320 -0.061 0.000 0.217 317 A C 2.128 179.854 177.584 0.236 0.000 1.181 317 A CA 1.775 53.920 52.037 0.181 0.000 0.623 317 A CB -1.463 17.633 19.000 0.161 0.000 0.818 317 A HN 0.738 nan 8.150 nan 0.000 0.443 318 W N 0.408 121.769 121.300 0.101 0.000 2.355 318 W HA -0.202 4.419 4.660 -0.065 0.000 0.309 318 W C 2.276 178.864 176.519 0.114 0.000 1.206 318 W CA 1.986 59.385 57.345 0.091 0.000 1.284 318 W CB -0.792 28.715 29.460 0.078 0.000 1.145 318 W HN 0.630 nan 8.180 nan 0.000 0.502 319 H N 0.181 119.199 119.070 -0.086 0.000 2.319 319 H HA -0.180 4.342 4.556 -0.057 0.000 0.297 319 H C 1.388 176.607 175.328 -0.181 0.000 1.097 319 H CA 2.439 58.331 56.048 -0.259 0.000 1.285 319 H CB -0.539 29.182 29.762 -0.069 0.000 1.368 319 H HN 0.079 nan 8.280 nan 0.000 0.495 320 D N 0.192 120.650 120.400 0.097 0.000 2.144 320 D HA -0.070 4.534 4.640 -0.061 0.000 0.200 320 D C 2.607 178.880 176.300 -0.045 0.000 0.978 320 D CA 0.578 54.604 54.000 0.044 0.000 0.833 320 D CB -0.210 40.654 40.800 0.108 0.000 0.961 320 D HN 0.392 nan 8.370 nan 0.000 0.470 321 R N 0.300 120.779 120.500 -0.035 0.000 2.073 321 R HA -0.059 4.244 4.340 -0.061 0.000 0.234 321 R C 2.325 178.565 176.300 -0.099 0.000 1.134 321 R CA 0.788 56.874 56.100 -0.023 0.000 0.952 321 R CB -0.464 29.866 30.300 0.051 0.000 0.850 321 R HN 0.104 nan 8.270 nan 0.000 0.433 322 V N 1.423 121.196 119.914 -0.234 0.000 2.358 322 V HA -0.220 3.863 4.120 -0.061 0.000 0.246 322 V C 2.228 178.177 176.094 -0.242 0.000 1.047 322 V CA 1.414 63.555 62.300 -0.264 0.000 1.035 322 V CB -0.459 31.092 31.823 -0.454 0.000 0.658 322 V HN 0.227 nan 8.190 nan 0.000 0.452 323 L N 0.066 121.106 121.223 -0.305 0.000 2.046 323 L HA -0.141 4.162 4.340 -0.061 0.000 0.208 323 L C 2.452 179.240 176.870 -0.137 0.000 1.077 323 L CA 2.366 57.056 54.840 -0.250 0.000 0.747 323 L CB -1.023 40.848 42.059 -0.313 0.000 0.896 323 L HN 0.336 nan 8.230 nan 0.000 0.432 324 T N -0.084 114.415 114.554 -0.092 0.000 2.720 324 T HA -0.173 4.141 4.350 -0.061 0.000 0.268 324 T C 1.961 176.647 174.700 -0.023 0.000 1.037 324 T CA 2.032 64.112 62.100 -0.034 0.000 1.144 324 T CB -0.304 68.585 68.868 0.035 0.000 0.864 324 T HN 0.330 nan 8.240 nan 0.000 0.444 325 I N 0.621 121.164 120.570 -0.045 0.000 2.202 325 I HA -0.139 3.995 4.170 -0.061 0.000 0.242 325 I C 2.716 178.782 176.117 -0.085 0.000 1.091 325 I CA 1.270 62.538 61.300 -0.052 0.000 1.368 325 I CB -0.320 37.626 38.000 -0.091 0.000 1.058 325 I HN 0.207 nan 8.210 nan 0.000 0.410 326 E N 1.352 121.481 120.200 -0.119 0.000 2.051 326 E HA -0.261 4.052 4.350 -0.061 0.000 0.192 326 E C 2.039 178.590 176.600 -0.083 0.000 0.991 326 E CA 1.326 57.658 56.400 -0.114 0.000 0.799 326 E CB -0.285 29.343 29.700 -0.119 0.000 0.748 326 E HN 0.304 nan 8.360 nan 0.000 0.449 327 L N 0.976 122.150 121.223 -0.082 0.000 2.079 327 L HA -0.100 4.204 4.340 -0.061 0.000 0.210 327 L C 1.140 177.964 176.870 -0.076 0.000 1.081 327 L CA 1.834 56.627 54.840 -0.078 0.000 0.752 327 L CB -0.432 41.574 42.059 -0.089 0.000 0.896 327 L HN 0.150 nan 8.230 nan 0.000 0.433 328 N N -0.081 118.576 118.700 -0.071 0.000 2.314 328 N HA 0.211 4.914 4.740 -0.061 0.000 0.200 328 N C 0.287 175.784 175.510 -0.022 0.000 1.135 328 N CA 0.630 53.652 53.050 -0.046 0.000 0.835 328 N CB 0.251 38.735 38.487 -0.005 0.000 0.989 328 N HN 0.423 nan 8.380 nan 0.000 0.478 329 A N 0.207 123.004 122.820 -0.039 0.000 2.261 329 A HA 0.606 4.890 4.320 -0.061 0.000 0.323 329 A C -0.032 177.529 177.584 -0.038 0.000 1.107 329 A CA -0.415 51.596 52.037 -0.043 0.000 0.883 329 A CB 1.058 20.017 19.000 -0.068 0.000 1.251 329 A HN -0.041 nan 8.150 nan 0.000 0.502 330 V N 1.197 121.088 119.914 -0.039 0.000 2.328 330 V HA 0.323 4.407 4.120 -0.061 0.000 0.278 330 V C 0.893 176.963 176.094 -0.040 0.000 1.021 330 V CA 0.412 62.693 62.300 -0.031 0.000 0.838 330 V CB 0.715 32.520 31.823 -0.030 0.000 0.999 330 V HN 1.042 nan 8.190 nan 0.000 0.447 331 T N -0.729 113.812 114.554 -0.022 0.000 3.145 331 T HA 0.210 4.524 4.350 -0.061 0.000 0.255 331 T C 0.161 174.883 174.700 0.036 0.000 1.039 331 T CA -0.529 61.565 62.100 -0.010 0.000 0.928 331 T CB -0.299 68.573 68.868 0.008 0.000 1.029 331 T HN 0.542 nan 8.240 nan 0.000 0.554 332 D N 2.463 122.874 120.400 0.018 0.000 2.360 332 D HA 0.502 5.105 4.640 -0.061 0.000 0.242 332 D C -0.089 176.231 176.300 0.033 0.000 1.184 332 D CA 0.011 54.036 54.000 0.042 0.000 0.930 332 D CB 0.451 41.255 40.800 0.008 0.000 1.161 332 D HN 0.321 nan 8.370 nan 0.000 0.447 333 N N 0.003 118.753 118.700 0.083 0.000 2.503 333 N HA 0.291 4.995 4.740 -0.061 0.000 0.287 333 N C -2.936 172.606 175.510 0.054 0.000 1.096 333 N CA -1.350 51.725 53.050 0.043 0.000 0.936 333 N CB 1.862 40.503 38.487 0.256 0.000 1.570 333 N HN 0.026 nan 8.380 nan 0.000 0.504 334 P HA 0.355 nan 4.420 nan 0.000 0.282 334 P C -0.911 176.057 177.300 -0.554 0.000 1.287 334 P CA -0.460 62.375 63.100 -0.442 0.000 0.792 334 P CB 0.978 32.223 31.700 -0.759 0.000 1.163 335 V N -3.825 115.679 119.914 -0.684 0.000 2.914 335 V HA 0.627 4.711 4.120 -0.061 0.000 0.314 335 V C -1.004 174.600 176.094 -0.816 0.000 1.084 335 V CA -0.928 60.990 62.300 -0.636 0.000 0.963 335 V CB 1.621 33.277 31.823 -0.279 0.000 1.025 335 V HN 0.223 nan 8.190 nan 0.000 0.432 336 F N 1.969 121.901 119.950 -0.030 0.000 2.359 336 F HA 0.597 5.088 4.527 -0.061 0.000 0.369 336 F C -2.398 173.395 175.800 -0.013 0.000 1.084 336 F CA -2.596 55.394 58.000 -0.017 0.000 1.096 336 F CB 1.154 40.152 39.000 -0.004 0.000 1.335 336 F HN 0.293 nan 8.300 nan 0.000 0.457 337 P HA -0.043 nan 4.420 nan 0.000 0.255 337 P C -1.965 175.375 177.300 0.066 0.000 1.161 337 P CA -0.516 62.612 63.100 0.047 0.000 0.768 337 P CB 0.377 32.094 31.700 0.028 0.000 0.746 338 P HA -0.188 nan 4.420 nan 0.000 0.219 338 P C 0.830 178.150 177.300 0.032 0.000 1.146 338 P CA 1.382 64.508 63.100 0.043 0.000 0.808 338 P CB -0.116 31.602 31.700 0.031 0.000 0.779 339 D N -1.684 118.732 120.400 0.026 0.000 2.363 339 D HA 0.028 4.632 4.640 -0.061 0.000 0.220 339 D C 1.421 177.736 176.300 0.025 0.000 0.994 339 D CA 0.812 54.825 54.000 0.021 0.000 0.890 339 D CB -1.274 39.534 40.800 0.014 0.000 0.906 339 D HN 0.174 nan 8.370 nan 0.000 0.530 340 G N 0.263 109.084 108.800 0.036 0.000 2.168 340 G HA2 -0.388 3.536 3.960 -0.061 0.000 0.257 340 G HA3 -0.388 3.536 3.960 -0.061 0.000 0.257 340 G C 1.232 176.153 174.900 0.036 0.000 0.997 340 G CA 1.168 46.292 45.100 0.040 0.000 0.708 340 G HN 0.638 nan 8.290 nan 0.000 0.520 341 S N -1.466 114.252 115.700 0.030 0.000 2.359 341 S HA 0.181 4.615 4.470 -0.061 0.000 0.224 341 S C 1.207 175.826 174.600 0.031 0.000 1.035 341 S CA 1.920 60.135 58.200 0.025 0.000 1.018 341 S CB -0.390 62.821 63.200 0.017 0.000 0.876 341 S HN 2.013 nan 8.310 nan 0.000 0.448 342 V N -3.425 116.513 119.914 0.040 0.000 3.007 342 V HA 0.559 4.643 4.120 -0.061 0.000 0.311 342 V C -2.500 173.640 176.094 0.077 0.000 1.120 342 V CA -2.194 60.136 62.300 0.050 0.000 0.980 342 V CB 1.233 33.081 31.823 0.041 0.000 1.033 342 V HN -0.107 nan 8.190 nan 0.000 0.429 343 P HA 0.152 nan 4.420 nan 0.000 0.215 343 P C 0.316 177.747 177.300 0.218 0.000 1.153 343 P CA 2.327 65.516 63.100 0.148 0.000 0.853 343 P CB 0.162 31.947 31.700 0.142 0.000 0.788 344 A N -2.192 120.705 122.820 0.128 0.000 2.597 344 A HA 0.632 4.916 4.320 -0.061 0.000 0.292 344 A C -1.891 175.651 177.584 -0.071 0.000 1.057 344 A CA -0.561 51.469 52.037 -0.012 0.000 0.674 344 A CB 0.418 19.397 19.000 -0.035 0.000 1.278 344 A HN -0.051 nan 8.150 nan 0.000 0.416 345 L N 1.055 122.142 121.223 -0.227 0.000 2.362 345 L HA 0.620 4.924 4.340 -0.061 0.000 0.271 345 L C -1.045 175.637 176.870 -0.313 0.000 1.002 345 L CA -0.706 54.045 54.840 -0.148 0.000 0.818 345 L CB 2.273 44.262 42.059 -0.116 0.000 1.298 345 L HN 0.862 nan 8.230 nan 0.000 0.420 346 H N 0.939 119.947 119.070 -0.103 0.000 2.505 346 H HA 0.763 5.283 4.556 -0.061 0.000 0.338 346 H C 0.137 175.401 175.328 -0.106 0.000 1.057 346 H CA -0.156 55.831 56.048 -0.103 0.000 1.202 346 H CB 2.023 31.729 29.762 -0.094 0.000 1.466 346 H HN 0.745 nan 8.280 nan 0.000 0.499 347 G N 0.594 109.365 108.800 -0.048 0.000 2.694 347 G HA2 0.440 4.364 3.960 -0.061 0.000 0.246 347 G HA3 0.440 4.364 3.960 -0.061 0.000 0.246 347 G C -0.373 174.359 174.900 -0.279 0.000 1.205 347 G CA -0.281 44.746 45.100 -0.123 0.000 0.891 347 G HN 0.682 nan 8.290 nan 0.000 0.515 348 G N 0.065 108.583 108.800 -0.470 0.000 4.716 348 G HA2 0.311 4.235 3.960 -0.061 0.000 0.282 348 G HA3 0.311 4.235 3.960 -0.061 0.000 0.282 348 G C 0.230 174.544 174.900 -0.976 0.000 1.173 348 G CA -0.146 44.301 45.100 -1.087 0.000 0.913 348 G HN 0.264 nan 8.290 nan 0.000 0.566 349 N N 0.846 119.177 118.700 -0.614 0.000 2.609 349 N HA -0.044 4.660 4.740 -0.061 0.000 0.190 349 N C 1.513 176.881 175.510 -0.236 0.000 1.157 349 N CA 0.322 53.174 53.050 -0.330 0.000 0.918 349 N CB -0.138 38.238 38.487 -0.186 0.000 0.978 349 N HN 0.630 nan 8.380 nan 0.000 0.448 350 F N -1.187 118.744 119.950 -0.033 0.000 2.789 350 F HA 0.327 4.817 4.527 -0.061 0.000 0.300 350 F C 0.815 176.611 175.800 -0.007 0.000 1.132 350 F CA -0.783 57.203 58.000 -0.023 0.000 1.404 350 F CB -0.750 38.235 39.000 -0.025 0.000 1.114 350 F HN -0.167 nan 8.300 nan 0.000 0.584 351 M N 2.726 122.329 119.600 0.005 0.000 2.350 351 M HA 0.346 4.790 4.480 -0.061 0.000 0.338 351 M C 0.980 177.332 176.300 0.088 0.000 1.559 351 M CA -0.481 54.886 55.300 0.110 0.000 1.217 351 M CB 0.214 32.800 32.600 -0.025 0.000 1.808 351 M HN 0.239 nan 8.290 nan 0.000 0.458 352 G N 3.495 112.362 108.800 0.112 0.000 3.452 352 G HA2 0.035 3.959 3.960 -0.061 0.000 0.258 352 G HA3 0.035 3.959 3.960 -0.061 0.000 0.258 352 G C 0.693 175.633 174.900 0.067 0.000 1.305 352 G CA -0.197 44.952 45.100 0.081 0.000 1.514 352 G HN 0.812 nan 8.290 nan 0.000 0.593 353 Q N 0.034 119.873 119.800 0.065 0.000 2.167 353 Q HA -0.099 4.205 4.340 -0.061 0.000 0.202 353 Q C 1.936 177.911 176.000 -0.042 0.000 0.970 353 Q CA 1.479 57.287 55.803 0.008 0.000 0.855 353 Q CB -0.123 28.599 28.738 -0.027 0.000 0.911 353 Q HN 0.716 nan 8.270 nan 0.000 0.438 354 H N -1.707 117.342 119.070 -0.035 0.000 2.321 354 H HA -0.063 4.456 4.556 -0.061 0.000 0.300 354 H C 1.822 177.072 175.328 -0.130 0.000 1.087 354 H CA 1.758 57.758 56.048 -0.079 0.000 1.319 354 H CB -0.073 29.629 29.762 -0.101 0.000 1.379 354 H HN 0.066 nan 8.280 nan 0.000 0.501 355 V N 0.540 120.463 119.914 0.014 0.000 2.515 355 V HA -0.230 3.854 4.120 -0.061 0.000 0.250 355 V C 2.487 178.570 176.094 -0.019 0.000 1.058 355 V CA 1.432 63.702 62.300 -0.050 0.000 1.064 355 V CB -0.927 30.879 31.823 -0.027 0.000 0.675 355 V HN 0.571 nan 8.190 nan 0.000 0.461 356 A N -0.022 122.801 122.820 0.006 0.000 1.877 356 A HA -0.150 4.133 4.320 -0.061 0.000 0.216 356 A C 2.197 179.797 177.584 0.027 0.000 1.186 356 A CA 1.775 53.826 52.037 0.023 0.000 0.620 356 A CB -0.506 18.510 19.000 0.027 0.000 0.822 356 A HN 0.488 nan 8.150 nan 0.000 0.443 357 L N -0.121 121.108 121.223 0.010 0.000 2.093 357 L HA -0.139 4.165 4.340 -0.061 0.000 0.208 357 L C 2.969 179.893 176.870 0.090 0.000 1.085 357 L CA 1.759 56.636 54.840 0.061 0.000 0.755 357 L CB -0.875 41.232 42.059 0.081 0.000 0.904 357 L HN 0.664 nan 8.230 nan 0.000 0.435 358 T N -4.615 109.896 114.554 -0.072 0.000 2.857 358 T HA -0.084 4.230 4.350 -0.061 0.000 0.266 358 T C 2.034 176.821 174.700 0.145 0.000 1.048 358 T CA 1.193 63.206 62.100 -0.144 0.000 1.139 358 T CB -0.226 68.334 68.868 -0.513 0.000 0.874 358 T HN 0.116 nan 8.240 nan 0.000 0.455 359 S N 1.683 117.459 115.700 0.127 0.000 2.368 359 S HA -0.104 4.329 4.470 -0.061 0.000 0.225 359 S C 1.864 176.530 174.600 0.111 0.000 1.030 359 S CA 1.255 59.551 58.200 0.159 0.000 0.999 359 S CB -0.547 62.721 63.200 0.113 0.000 0.844 359 S HN 0.518 nan 8.310 nan 0.000 0.459 360 D N 1.579 122.038 120.400 0.097 0.000 2.117 360 D HA 0.005 4.608 4.640 -0.061 0.000 0.197 360 D C 2.123 178.480 176.300 0.095 0.000 0.987 360 D CA 1.187 55.237 54.000 0.083 0.000 0.829 360 D CB -0.403 40.441 40.800 0.072 0.000 0.961 360 D HN 0.376 nan 8.370 nan 0.000 0.460 361 A N 0.675 123.588 122.820 0.156 0.000 1.898 361 A HA -0.126 4.157 4.320 -0.061 0.000 0.216 361 A C 2.150 179.811 177.584 0.128 0.000 1.181 361 A CA 0.901 53.049 52.037 0.185 0.000 0.620 361 A CB -0.651 18.589 19.000 0.400 0.000 0.819 361 A HN 0.238 nan 8.150 nan 0.000 0.442 362 L N -0.209 121.086 121.223 0.120 0.000 2.056 362 L HA -0.019 4.285 4.340 -0.061 0.000 0.207 362 L C 2.654 179.515 176.870 -0.014 0.000 1.078 362 L CA 2.047 56.903 54.840 0.026 0.000 0.749 362 L CB -0.797 41.207 42.059 -0.091 0.000 0.901 362 L HN 0.340 nan 8.230 nan 0.000 0.433 363 A N -1.539 121.287 122.820 0.009 0.000 1.908 363 A HA -0.229 4.055 4.320 -0.061 0.000 0.218 363 A C 2.269 179.830 177.584 -0.037 0.000 1.181 363 A CA 2.395 54.428 52.037 -0.006 0.000 0.627 363 A CB -1.210 17.803 19.000 0.022 0.000 0.818 363 A HN 0.514 nan 8.150 nan 0.000 0.445 364 T N 0.137 114.678 114.554 -0.022 0.000 2.777 364 T HA 0.016 4.330 4.350 -0.061 0.000 0.266 364 T C 2.242 176.886 174.700 -0.093 0.000 1.040 364 T CA 1.535 63.609 62.100 -0.043 0.000 1.141 364 T CB -0.444 68.414 68.868 -0.017 0.000 0.868 364 T HN 0.606 nan 8.240 nan 0.000 0.444 365 A N 0.950 123.716 122.820 -0.091 0.000 1.902 365 A HA -0.045 4.239 4.320 -0.061 0.000 0.217 365 A C 2.572 179.981 177.584 -0.292 0.000 1.181 365 A CA 1.277 53.225 52.037 -0.149 0.000 0.623 365 A CB -1.000 17.947 19.000 -0.088 0.000 0.818 365 A HN 0.353 nan 8.150 nan 0.000 0.443 366 V N -0.259 119.473 119.914 -0.303 0.000 2.343 366 V HA -0.219 3.865 4.120 -0.061 0.000 0.247 366 V C 2.735 178.500 176.094 -0.549 0.000 1.051 366 V CA 2.449 64.423 62.300 -0.543 0.000 1.036 366 V CB -1.180 30.493 31.823 -0.250 0.000 0.654 366 V HN 0.614 nan 8.190 nan 0.000 0.451 367 T N -0.198 114.182 114.554 -0.289 0.000 2.788 367 T HA -0.150 4.164 4.350 -0.061 0.000 0.268 367 T C 1.942 176.504 174.700 -0.231 0.000 1.044 367 T CA 1.541 63.514 62.100 -0.212 0.000 1.139 367 T CB -0.177 68.624 68.868 -0.111 0.000 0.867 367 T HN 0.280 nan 8.240 nan 0.000 0.454 368 V N 1.149 120.924 119.914 -0.231 0.000 2.307 368 V HA -0.092 3.992 4.120 -0.061 0.000 0.245 368 V C 2.386 178.332 176.094 -0.246 0.000 1.045 368 V CA 1.314 63.498 62.300 -0.194 0.000 1.024 368 V CB -0.539 31.185 31.823 -0.165 0.000 0.651 368 V HN 0.317 nan 8.190 nan 0.000 0.449 369 L N 0.280 121.259 121.223 -0.407 0.000 2.141 369 L HA -0.026 4.277 4.340 -0.061 0.000 0.209 369 L C 2.534 179.170 176.870 -0.390 0.000 1.094 369 L CA 2.025 56.606 54.840 -0.431 0.000 0.763 369 L CB -1.147 40.508 42.059 -0.672 0.000 0.908 369 L HN 0.283 nan 8.230 nan 0.000 0.437 370 A N -0.578 121.881 122.820 -0.602 0.000 1.969 370 A HA -0.049 4.235 4.320 -0.061 0.000 0.218 370 A C 2.425 179.976 177.584 -0.055 0.000 1.169 370 A CA 1.447 53.327 52.037 -0.262 0.000 0.635 370 A CB -1.208 17.662 19.000 -0.217 0.000 0.810 370 A HN 0.417 nan 8.150 nan 0.000 0.445 371 G N -0.013 108.727 108.800 -0.100 0.000 2.418 371 G HA2 -0.146 3.778 3.960 -0.061 0.000 0.217 371 G HA3 -0.146 3.778 3.960 -0.061 0.000 0.217 371 G C 1.483 176.380 174.900 -0.005 0.000 1.158 371 G CA 1.203 46.280 45.100 -0.039 0.000 0.771 371 G HN 0.512 nan 8.290 nan 0.000 0.545 372 L N 1.442 122.656 121.223 -0.014 0.000 2.017 372 L HA 0.125 4.429 4.340 -0.061 0.000 0.208 372 L C 3.035 179.946 176.870 0.067 0.000 1.073 372 L CA 2.364 57.219 54.840 0.025 0.000 0.745 372 L CB -0.814 41.252 42.059 0.012 0.000 0.894 372 L HN 0.219 nan 8.230 nan 0.000 0.432 373 A N -0.888 121.997 122.820 0.108 0.000 1.940 373 A HA -0.239 4.045 4.320 -0.061 0.000 0.219 373 A C 2.333 179.975 177.584 0.095 0.000 1.176 373 A CA 1.774 53.895 52.037 0.140 0.000 0.631 373 A CB -0.787 18.360 19.000 0.245 0.000 0.814 373 A HN 0.612 nan 8.150 nan 0.000 0.446 374 E N -0.086 120.163 120.200 0.081 0.000 2.077 374 E HA -0.189 4.125 4.350 -0.061 0.000 0.193 374 E C 2.042 178.673 176.600 0.052 0.000 0.989 374 E CA 0.830 57.267 56.400 0.062 0.000 0.800 374 E CB -0.200 29.530 29.700 0.050 0.000 0.746 374 E HN 0.380 nan 8.360 nan 0.000 0.452 375 R N 0.333 120.861 120.500 0.047 0.000 2.148 375 R HA -0.032 4.272 4.340 -0.061 0.000 0.223 375 R C 2.335 178.663 176.300 0.046 0.000 1.088 375 R CA 0.763 56.889 56.100 0.042 0.000 0.985 375 R CB -0.333 29.990 30.300 0.038 0.000 0.880 375 R HN 0.402 nan 8.270 nan 0.000 0.451 376 Q N -0.011 119.822 119.800 0.055 0.000 2.119 376 Q HA -0.012 4.292 4.340 -0.061 0.000 0.201 376 Q C 2.156 178.179 176.000 0.037 0.000 0.972 376 Q CA 1.016 56.852 55.803 0.055 0.000 0.847 376 Q CB -0.033 28.748 28.738 0.072 0.000 0.903 376 Q HN 0.307 nan 8.270 nan 0.000 0.433 377 I N 0.620 121.211 120.570 0.036 0.000 2.252 377 I HA -0.239 3.895 4.170 -0.061 0.000 0.245 377 I C 2.411 178.552 176.117 0.039 0.000 1.102 377 I CA 0.892 62.206 61.300 0.023 0.000 1.385 377 I CB -0.393 37.625 38.000 0.029 0.000 1.064 377 I HN 0.140 nan 8.210 nan 0.000 0.414 378 A N 0.811 123.661 122.820 0.049 0.000 1.933 378 A HA -0.241 4.043 4.320 -0.061 0.000 0.218 378 A C 2.439 180.037 177.584 0.024 0.000 1.175 378 A CA 1.823 53.893 52.037 0.055 0.000 0.628 378 A CB -0.602 18.428 19.000 0.051 0.000 0.814 378 A HN 0.391 nan 8.150 nan 0.000 0.444 379 R N -0.970 119.539 120.500 0.015 0.000 2.075 379 R HA -0.009 4.295 4.340 -0.061 0.000 0.226 379 R C 1.990 178.279 176.300 -0.019 0.000 1.114 379 R CA 1.314 57.413 56.100 -0.002 0.000 0.972 379 R CB -0.372 29.934 30.300 0.011 0.000 0.869 379 R HN 0.389 nan 8.270 nan 0.000 0.437 380 L N 1.163 122.380 121.223 -0.011 0.000 2.131 380 L HA -0.090 4.214 4.340 -0.061 0.000 0.210 380 L C 1.923 178.765 176.870 -0.046 0.000 1.092 380 L CA 2.343 57.169 54.840 -0.024 0.000 0.759 380 L CB -0.379 41.667 42.059 -0.021 0.000 0.903 380 L HN 0.423 nan 8.230 nan 0.000 0.435 381 T N -4.420 110.106 114.554 -0.047 0.000 3.081 381 T HA 0.033 4.347 4.350 -0.061 0.000 0.250 381 T C 0.759 175.231 174.700 -0.379 0.000 1.100 381 T CA -0.130 61.907 62.100 -0.104 0.000 1.038 381 T CB -0.417 68.517 68.868 0.110 0.000 0.962 381 T HN 0.231 nan 8.240 nan 0.000 0.516 382 D N 2.748 123.000 120.400 -0.246 0.000 2.339 382 D HA 0.062 4.666 4.640 -0.061 0.000 0.241 382 D C 1.331 177.506 176.300 -0.209 0.000 1.183 382 D CA -0.267 53.570 54.000 -0.272 0.000 0.859 382 D CB 1.204 41.930 40.800 -0.122 0.000 1.067 382 D HN 0.616 nan 8.370 nan 0.000 0.484 383 E N 3.314 123.366 120.200 -0.247 0.000 2.267 383 E HA -0.207 4.107 4.350 -0.061 0.000 0.197 383 E C 1.048 177.600 176.600 -0.081 0.000 0.998 383 E CA 0.796 57.114 56.400 -0.136 0.000 0.830 383 E CB 0.071 29.707 29.700 -0.107 0.000 0.751 383 E HN 0.380 nan 8.360 nan 0.000 0.491 384 R N 0.017 120.471 120.500 -0.077 0.000 2.240 384 R HA 0.166 4.469 4.340 -0.061 0.000 0.203 384 R C 1.774 178.048 176.300 -0.042 0.000 1.011 384 R CA 0.572 56.644 56.100 -0.047 0.000 1.007 384 R CB 0.175 30.453 30.300 -0.036 0.000 0.911 384 R HN 0.280 nan 8.270 nan 0.000 0.468 385 L N -0.009 121.183 121.223 -0.052 0.000 2.749 385 L HA 0.109 4.413 4.340 -0.061 0.000 0.242 385 L C 0.706 177.554 176.870 -0.037 0.000 1.103 385 L CA -0.099 54.717 54.840 -0.039 0.000 0.906 385 L CB 0.097 42.135 42.059 -0.036 0.000 1.228 385 L HN 0.107 nan 8.230 nan 0.000 0.517 386 N N 1.061 119.732 118.700 -0.048 0.000 2.421 386 N HA -0.066 4.638 4.740 -0.061 0.000 0.201 386 N C 0.014 175.506 175.510 -0.030 0.000 1.198 386 N CA -0.204 52.823 53.050 -0.039 0.000 0.838 386 N CB -0.275 38.180 38.487 -0.052 0.000 1.011 386 N HN 0.093 nan 8.380 nan 0.000 0.463 387 R N -0.484 120.000 120.500 -0.027 0.000 3.188 387 R HA -0.173 4.130 4.340 -0.061 0.000 0.247 387 R C 0.806 177.094 176.300 -0.020 0.000 0.918 387 R CA 0.483 56.570 56.100 -0.022 0.000 0.629 387 R CB -2.077 28.212 30.300 -0.019 0.000 1.087 387 R HN 0.639 nan 8.270 nan 0.000 0.462 388 G N -0.915 107.872 108.800 -0.021 0.000 2.194 388 G HA2 -0.302 3.622 3.960 -0.061 0.000 0.236 388 G HA3 -0.302 3.622 3.960 -0.061 0.000 0.236 388 G C 0.263 175.152 174.900 -0.019 0.000 0.987 388 G CA 0.061 45.151 45.100 -0.017 0.000 0.635 388 G HN 0.274 nan 8.290 nan 0.000 0.520 389 L N 1.584 122.792 121.223 -0.024 0.000 2.436 389 L HA 0.427 4.731 4.340 -0.061 0.000 0.265 389 L C -1.635 175.218 176.870 -0.030 0.000 1.168 389 L CA -2.033 52.791 54.840 -0.027 0.000 0.815 389 L CB 0.642 42.687 42.059 -0.025 0.000 1.109 389 L HN -0.091 nan 8.230 nan 0.000 0.462 390 P HA 0.043 nan 4.420 nan 0.000 0.267 390 P C -2.468 174.854 177.300 0.036 0.000 1.200 390 P CA -0.905 62.183 63.100 -0.020 0.000 0.772 390 P CB -0.167 31.398 31.700 -0.225 0.000 0.855 391 P HA -0.012 nan 4.420 nan 0.000 0.267 391 P C -0.275 177.088 177.300 0.106 0.000 1.209 391 P CA 0.361 63.415 63.100 -0.075 0.000 0.763 391 P CB -0.165 31.539 31.700 0.007 0.000 0.816 392 F N 1.641 121.692 119.950 0.168 0.000 3.034 392 F HA -0.239 4.251 4.527 -0.062 0.000 0.286 392 F C 1.324 177.301 175.800 0.295 0.000 0.804 392 F CA 0.315 58.440 58.000 0.208 0.000 1.161 392 F CB -2.640 36.470 39.000 0.182 0.000 1.317 392 F HN 0.272 nan 8.300 nan 0.000 0.453 393 L N -1.627 119.765 121.223 0.281 0.000 3.839 393 L HA -0.321 3.982 4.340 -0.061 0.000 0.416 393 L C 1.381 178.391 176.870 0.234 0.000 1.195 393 L CA 1.067 56.048 54.840 0.234 0.000 0.946 393 L CB -1.984 40.248 42.059 0.290 0.000 1.891 393 L HN 0.701 nan 8.230 nan 0.000 0.963 394 H N 0.420 119.605 119.070 0.192 0.000 2.671 394 H HA 0.657 5.176 4.556 -0.061 0.000 0.372 394 H C 0.304 175.679 175.328 0.078 0.000 1.227 394 H CA -0.420 55.694 56.048 0.109 0.000 1.426 394 H CB 0.882 30.702 29.762 0.096 0.000 1.480 394 H HN 0.295 nan 8.280 nan 0.000 0.611 395 R N -0.306 120.206 120.500 0.020 0.000 2.888 395 R HA 0.481 4.784 4.340 -0.061 0.000 0.266 395 R C -0.319 176.082 176.300 0.168 0.000 1.020 395 R CA -0.258 55.832 56.100 -0.017 0.000 0.963 395 R CB 2.079 32.382 30.300 0.005 0.000 1.197 395 R HN 1.101 nan 8.270 nan 0.000 0.481 396 G N 1.246 110.116 108.800 0.117 0.000 2.760 396 G HA2 -0.183 3.740 3.960 -0.061 0.000 0.246 396 G HA3 -0.183 3.740 3.960 -0.061 0.000 0.246 396 G C -2.727 172.292 174.900 0.197 0.000 1.359 396 G CA -1.220 43.957 45.100 0.127 0.000 0.861 396 G HN 0.383 nan 8.290 nan 0.000 0.541 397 P HA 0.465 nan 4.420 nan 0.000 0.268 397 P C 0.389 177.703 177.300 0.025 0.000 1.204 397 P CA 0.779 63.933 63.100 0.090 0.000 0.768 397 P CB 0.775 32.497 31.700 0.038 0.000 0.842 398 A N 3.282 126.105 122.820 0.005 0.000 2.445 398 A HA 0.477 4.761 4.320 -0.061 0.000 0.242 398 A C 1.596 179.068 177.584 -0.187 0.000 1.075 398 A CA 0.785 52.644 52.037 -0.297 0.000 0.777 398 A CB -0.984 17.965 19.000 -0.084 0.000 1.013 398 A HN 0.814 nan 8.150 nan 0.000 0.493 399 G N 0.451 109.114 108.800 -0.229 0.000 2.900 399 G HA2 -0.274 3.650 3.960 -0.061 0.000 0.223 399 G HA3 -0.274 3.650 3.960 -0.061 0.000 0.223 399 G C 1.038 175.880 174.900 -0.097 0.000 1.293 399 G CA 0.830 45.862 45.100 -0.112 0.000 0.792 399 G HN 1.453 nan 8.290 nan 0.000 0.527 400 L N 1.842 123.015 121.223 -0.083 0.000 2.131 400 L HA 0.287 4.591 4.340 -0.061 0.000 0.210 400 L C 0.888 177.719 176.870 -0.064 0.000 1.092 400 L CA 1.637 56.444 54.840 -0.054 0.000 0.759 400 L CB -0.285 41.756 42.059 -0.029 0.000 0.903 400 L HN 0.479 nan 8.230 nan 0.000 0.435 401 N N -1.545 117.096 118.700 -0.098 0.000 2.321 401 N HA 0.245 4.948 4.740 -0.061 0.000 0.299 401 N C -0.009 175.417 175.510 -0.140 0.000 1.048 401 N CA -0.055 52.949 53.050 -0.078 0.000 0.836 401 N CB 1.955 40.453 38.487 0.019 0.000 1.269 401 N HN -0.106 nan 8.380 nan 0.000 0.486 402 S N 0.105 115.761 115.700 -0.074 0.000 2.603 402 S HA 0.248 4.681 4.470 -0.061 0.000 0.232 402 S C 1.261 175.885 174.600 0.040 0.000 1.016 402 S CA 0.018 58.183 58.200 -0.058 0.000 0.976 402 S CB 0.496 63.616 63.200 -0.133 0.000 0.921 402 S HN 0.929 nan 8.310 nan 0.000 0.516 403 G N 2.512 111.335 108.800 0.038 0.000 2.634 403 G HA2 -0.348 3.576 3.960 -0.061 0.000 0.318 403 G HA3 -0.348 3.576 3.960 -0.061 0.000 0.318 403 G C 0.233 175.014 174.900 -0.199 0.000 1.207 403 G CA 0.861 45.941 45.100 -0.034 0.000 0.987 403 G HN 0.468 nan 8.290 nan 0.000 0.547 404 F N 1.316 121.351 119.950 0.141 0.000 2.664 404 F HA 0.486 4.981 4.527 -0.053 0.000 0.301 404 F C 2.362 178.188 175.800 0.043 0.000 1.126 404 F CA 0.879 58.936 58.000 0.094 0.000 1.373 404 F CB 0.167 39.241 39.000 0.123 0.000 1.042 404 F HN 0.325 nan 8.300 nan 0.000 0.535 405 M N -0.009 119.579 119.600 -0.020 0.000 2.149 405 M HA -0.129 4.314 4.480 -0.061 0.000 0.261 405 M C 2.374 178.544 176.300 -0.217 0.000 1.064 405 M CA 2.222 57.238 55.300 -0.474 0.000 1.102 405 M CB -0.438 31.606 32.600 -0.927 0.000 1.369 405 M HN 0.324 nan 8.290 nan 0.000 0.408 406 G N -0.788 107.943 108.800 -0.115 0.000 2.394 406 G HA2 -0.108 3.816 3.960 -0.061 0.000 0.214 406 G HA3 -0.108 3.816 3.960 -0.061 0.000 0.214 406 G C 1.491 176.397 174.900 0.009 0.000 1.176 406 G CA 0.742 45.806 45.100 -0.061 0.000 0.786 406 G HN 0.611 nan 8.290 nan 0.000 0.533 407 A N 0.013 122.877 122.820 0.074 0.000 1.940 407 A HA -0.137 4.147 4.320 -0.061 0.000 0.219 407 A C 2.280 179.929 177.584 0.108 0.000 1.176 407 A CA 2.123 54.233 52.037 0.122 0.000 0.631 407 A CB -0.449 18.706 19.000 0.257 0.000 0.814 407 A HN 0.394 nan 8.150 nan 0.000 0.446 408 Q N 0.021 119.899 119.800 0.130 0.000 2.084 408 Q HA -0.122 4.182 4.340 -0.061 0.000 0.202 408 Q C 2.105 178.154 176.000 0.081 0.000 0.978 408 Q CA 2.063 57.942 55.803 0.126 0.000 0.844 408 Q CB -0.302 28.564 28.738 0.214 0.000 0.898 408 Q HN 0.440 nan 8.270 nan 0.000 0.426 409 V N 0.471 120.414 119.914 0.048 0.000 2.427 409 V HA -0.194 3.889 4.120 -0.061 0.000 0.248 409 V C 2.366 178.477 176.094 0.029 0.000 1.051 409 V CA 1.978 64.296 62.300 0.030 0.000 1.048 409 V CB -0.810 31.013 31.823 -0.001 0.000 0.666 409 V HN 0.368 nan 8.190 nan 0.000 0.456 410 T N 0.486 115.057 114.554 0.029 0.000 2.720 410 T HA -0.181 4.133 4.350 -0.061 0.000 0.268 410 T C 2.075 176.795 174.700 0.034 0.000 1.037 410 T CA 1.658 63.775 62.100 0.028 0.000 1.144 410 T CB -0.381 68.503 68.868 0.028 0.000 0.864 410 T HN 0.576 nan 8.240 nan 0.000 0.444 411 A N 1.160 124.005 122.820 0.043 0.000 1.902 411 A HA -0.138 4.145 4.320 -0.061 0.000 0.217 411 A C 2.546 180.157 177.584 0.044 0.000 1.181 411 A CA 2.140 54.204 52.037 0.045 0.000 0.623 411 A CB -1.200 17.830 19.000 0.050 0.000 0.818 411 A HN 0.486 nan 8.150 nan 0.000 0.443 412 T N 0.254 114.834 114.554 0.043 0.000 2.746 412 T HA 0.005 4.319 4.350 -0.061 0.000 0.267 412 T C 2.213 176.931 174.700 0.029 0.000 1.039 412 T CA 1.495 63.617 62.100 0.037 0.000 1.142 412 T CB -0.427 68.463 68.868 0.037 0.000 0.866 412 T HN 0.599 nan 8.240 nan 0.000 0.444 413 A N 1.262 124.098 122.820 0.027 0.000 1.902 413 A HA 0.028 4.312 4.320 -0.061 0.000 0.217 413 A C 2.302 179.900 177.584 0.024 0.000 1.181 413 A CA 1.124 53.174 52.037 0.021 0.000 0.623 413 A CB -0.817 18.194 19.000 0.018 0.000 0.818 413 A HN 0.469 nan 8.150 nan 0.000 0.443 414 L N -1.138 120.102 121.223 0.030 0.000 2.046 414 L HA -0.168 4.135 4.340 -0.061 0.000 0.208 414 L C 2.576 179.467 176.870 0.035 0.000 1.077 414 L CA 1.254 56.115 54.840 0.035 0.000 0.747 414 L CB -0.558 41.528 42.059 0.043 0.000 0.896 414 L HN 0.482 nan 8.230 nan 0.000 0.432 415 L N 0.283 121.527 121.223 0.034 0.000 2.017 415 L HA -0.132 4.171 4.340 -0.061 0.000 0.208 415 L C 2.641 179.520 176.870 0.014 0.000 1.073 415 L CA 2.002 56.856 54.840 0.024 0.000 0.745 415 L CB -0.710 41.363 42.059 0.022 0.000 0.894 415 L HN 0.134 nan 8.230 nan 0.000 0.432 416 A N -0.846 121.984 122.820 0.016 0.000 1.940 416 A HA -0.284 4.000 4.320 -0.061 0.000 0.219 416 A C 2.340 179.931 177.584 0.012 0.000 1.176 416 A CA 1.895 53.939 52.037 0.012 0.000 0.631 416 A CB -0.762 18.245 19.000 0.013 0.000 0.814 416 A HN 0.642 nan 8.150 nan 0.000 0.446 417 E N -0.712 119.497 120.200 0.015 0.000 2.106 417 E HA -0.171 4.143 4.350 -0.061 0.000 0.192 417 E C 2.034 178.643 176.600 0.016 0.000 0.984 417 E CA 1.194 57.604 56.400 0.016 0.000 0.806 417 E CB -0.188 29.523 29.700 0.019 0.000 0.750 417 E HN 0.681 nan 8.360 nan 0.000 0.458 418 M N -0.040 119.570 119.600 0.016 0.000 2.117 418 M HA -0.166 4.278 4.480 -0.061 0.000 0.262 418 M C 2.318 178.621 176.300 0.005 0.000 1.065 418 M CA 1.541 56.849 55.300 0.013 0.000 1.114 418 M CB -0.185 32.419 32.600 0.006 0.000 1.361 418 M HN 0.011 nan 8.290 nan 0.000 0.408 419 R N 0.126 120.626 120.500 0.001 0.000 2.193 419 R HA -0.048 4.256 4.340 -0.061 0.000 0.229 419 R C 2.180 178.484 176.300 0.007 0.000 1.110 419 R CA 1.165 57.265 56.100 -0.001 0.000 0.988 419 R CB -0.475 29.823 30.300 -0.003 0.000 0.871 419 R HN 0.374 nan 8.270 nan 0.000 0.458 420 A N 0.527 123.353 122.820 0.010 0.000 2.121 420 A HA -0.034 4.250 4.320 -0.061 0.000 0.218 420 A C 0.750 178.344 177.584 0.018 0.000 1.154 420 A CA 0.921 52.965 52.037 0.013 0.000 0.679 420 A CB 0.089 19.096 19.000 0.011 0.000 0.795 420 A HN 0.104 nan 8.150 nan 0.000 0.458 421 T N 0.083 114.649 114.554 0.020 0.000 2.771 421 T HA 0.550 4.864 4.350 -0.061 0.000 0.281 421 T C 0.462 175.185 174.700 0.038 0.000 0.982 421 T CA 0.052 62.169 62.100 0.029 0.000 0.978 421 T CB 1.507 70.391 68.868 0.027 0.000 0.930 421 T HN 0.363 nan 8.240 nan 0.000 0.447 422 G N 3.173 112.009 108.800 0.060 0.000 2.671 422 G HA2 0.664 4.588 3.960 -0.061 0.000 0.275 422 G HA3 0.664 4.588 3.960 -0.061 0.000 0.275 422 G C -2.623 172.326 174.900 0.082 0.000 1.368 422 G CA -1.579 43.560 45.100 0.065 0.000 1.044 422 G HN 0.436 nan 8.290 nan 0.000 0.543 423 P HA 0.268 nan 4.420 nan 0.000 0.266 423 P C 0.332 177.694 177.300 0.102 0.000 1.195 423 P CA 0.319 63.454 63.100 0.057 0.000 0.768 423 P CB 1.357 33.067 31.700 0.015 0.000 0.838 424 A N 2.065 124.951 122.820 0.109 0.000 1.984 424 A HA -0.051 4.233 4.320 -0.061 0.000 0.214 424 A C 2.080 179.737 177.584 0.123 0.000 1.173 424 A CA 1.100 53.242 52.037 0.176 0.000 0.673 424 A CB -1.086 17.986 19.000 0.119 0.000 0.830 424 A HN 0.478 nan 8.150 nan 0.000 0.453 425 S N 0.631 116.357 115.700 0.042 0.000 2.402 425 S HA -0.196 4.238 4.470 -0.061 0.000 0.233 425 S C 1.693 176.261 174.600 -0.054 0.000 1.030 425 S CA 1.616 59.821 58.200 0.007 0.000 1.003 425 S CB -0.721 62.483 63.200 0.006 0.000 0.813 425 S HN 0.793 nan 8.310 nan 0.000 0.477 426 I N -1.244 119.219 120.570 -0.178 0.000 3.444 426 I HA 0.038 4.171 4.170 -0.061 0.000 0.287 426 I C 0.659 176.567 176.117 -0.348 0.000 1.302 426 I CA 0.995 62.127 61.300 -0.279 0.000 1.368 426 I CB -0.380 37.404 38.000 -0.360 0.000 1.048 426 I HN 0.178 nan 8.210 nan 0.000 0.487 427 H N 1.249 120.331 119.070 0.019 0.000 2.524 427 H HA 0.311 4.831 4.556 -0.061 0.000 0.299 427 H C 0.622 175.963 175.328 0.020 0.000 1.074 427 H CA -0.236 55.823 56.048 0.018 0.000 1.115 427 H CB 0.107 29.880 29.762 0.018 0.000 1.522 427 H HN 0.290 nan 8.280 nan 0.000 0.543 428 S N 1.252 117.000 115.700 0.080 0.000 2.552 428 S HA 0.185 4.618 4.470 -0.061 0.000 0.289 428 S C 0.288 174.927 174.600 0.065 0.000 1.304 428 S CA -0.198 58.041 58.200 0.066 0.000 1.063 428 S CB -0.012 63.212 63.200 0.041 0.000 0.848 428 S HN 0.301 nan 8.310 nan 0.000 0.499 429 I N 3.423 124.029 120.570 0.061 0.000 2.533 429 I HA 0.213 4.347 4.170 -0.061 0.000 0.290 429 I C 0.070 176.214 176.117 0.044 0.000 1.056 429 I CA -0.620 60.710 61.300 0.051 0.000 1.057 429 I CB 2.111 40.142 38.000 0.051 0.000 1.240 429 I HN 0.568 nan 8.210 nan 0.000 0.423 430 S N 4.002 119.725 115.700 0.038 0.000 2.525 430 S HA 0.240 4.673 4.470 -0.061 0.000 0.285 430 S C -0.179 174.443 174.600 0.036 0.000 1.283 430 S CA 0.446 58.668 58.200 0.037 0.000 1.072 430 S CB 0.231 63.450 63.200 0.031 0.000 0.867 430 S HN 0.769 nan 8.310 nan 0.000 0.492 431 T N 3.131 117.708 114.554 0.038 0.000 2.654 431 T HA 0.417 4.731 4.350 -0.061 0.000 0.289 431 T C -0.331 174.392 174.700 0.038 0.000 1.062 431 T CA -0.131 61.991 62.100 0.037 0.000 1.041 431 T CB 0.799 69.691 68.868 0.039 0.000 1.417 431 T HN 0.900 nan 8.240 nan 0.000 0.510 432 N N 0.570 119.293 118.700 0.038 0.000 2.727 432 N HA -0.225 4.478 4.740 -0.061 0.000 0.251 432 N C 0.288 175.819 175.510 0.035 0.000 1.040 432 N CA 0.779 53.853 53.050 0.040 0.000 0.712 432 N CB -1.175 37.342 38.487 0.050 0.000 0.912 432 N HN 1.532 nan 8.380 nan 0.000 0.545 433 A N -0.637 122.199 122.820 0.027 0.000 2.783 433 A HA 0.006 4.289 4.320 -0.061 0.000 0.292 433 A C 1.322 178.922 177.584 0.027 0.000 1.495 433 A CA 2.065 54.116 52.037 0.023 0.000 0.787 433 A CB -2.275 16.736 19.000 0.019 0.000 1.017 433 A HN 2.252 nan 8.150 nan 0.000 0.516 434 A N -2.441 120.397 122.820 0.030 0.000 3.396 434 A HA -0.357 3.927 4.320 -0.061 0.000 0.267 434 A C 1.380 178.986 177.584 0.037 0.000 1.139 434 A CA 2.024 54.080 52.037 0.031 0.000 1.115 434 A CB -2.534 16.482 19.000 0.026 0.000 1.133 434 A HN 2.213 nan 8.150 nan 0.000 0.920 435 N N 0.018 118.743 118.700 0.042 0.000 2.106 435 N HA -0.094 4.610 4.740 -0.061 0.000 0.188 435 N C 0.990 176.535 175.510 0.058 0.000 1.029 435 N CA 1.875 54.955 53.050 0.050 0.000 0.848 435 N CB -0.166 38.356 38.487 0.058 0.000 1.007 435 N HN 0.748 nan 8.380 nan 0.000 0.423 436 Q N 0.605 120.439 119.800 0.057 0.000 3.150 436 Q HA 0.061 4.365 4.340 -0.061 0.000 0.297 436 Q C -0.437 175.597 176.000 0.056 0.000 1.382 436 Q CA -0.268 55.575 55.803 0.065 0.000 1.059 436 Q CB 0.495 29.268 28.738 0.058 0.000 1.559 436 Q HN 0.519 nan 8.270 nan 0.000 0.548 437 D N -0.453 119.978 120.400 0.052 0.000 2.348 437 D HA -0.076 4.528 4.640 -0.061 0.000 0.216 437 D C 0.656 176.982 176.300 0.042 0.000 0.970 437 D CA 0.392 54.417 54.000 0.042 0.000 0.889 437 D CB 0.097 40.917 40.800 0.034 0.000 0.912 437 D HN 0.208 nan 8.370 nan 0.000 0.524 438 V N -1.870 118.074 119.914 0.051 0.000 2.733 438 V HA 0.747 4.830 4.120 -0.061 0.000 0.306 438 V C -0.480 175.653 176.094 0.065 0.000 1.084 438 V CA -1.204 61.125 62.300 0.049 0.000 0.905 438 V CB 1.908 33.755 31.823 0.039 0.000 1.010 438 V HN 0.094 nan 8.190 nan 0.000 0.424 439 V N 1.152 121.103 119.914 0.062 0.000 2.962 439 V HA 0.783 4.866 4.120 -0.061 0.000 0.313 439 V C 1.084 177.217 176.094 0.064 0.000 1.099 439 V CA 0.267 62.611 62.300 0.073 0.000 0.971 439 V CB 1.418 33.281 31.823 0.067 0.000 1.028 439 V HN 1.334 nan 8.190 nan 0.000 0.430 440 S N 2.545 118.287 115.700 0.071 0.000 2.406 440 S HA 0.087 4.521 4.470 -0.061 0.000 0.224 440 S C 1.146 175.780 174.600 0.055 0.000 1.030 440 S CA 1.138 59.373 58.200 0.057 0.000 0.958 440 S CB -0.853 62.385 63.200 0.063 0.000 0.811 440 S HN 1.395 nan 8.310 nan 0.000 0.489 441 L N 0.338 121.598 121.223 0.061 0.000 4.040 441 L HA -0.192 4.112 4.340 -0.061 0.000 0.410 441 L C 1.491 178.394 176.870 0.056 0.000 1.187 441 L CA 0.008 54.884 54.840 0.061 0.000 0.956 441 L CB -2.283 39.821 42.059 0.075 0.000 2.022 441 L HN 0.532 nan 8.230 nan 0.000 0.897 442 G N -0.352 108.479 108.800 0.052 0.000 2.422 442 G HA2 -0.206 3.718 3.960 -0.061 0.000 0.218 442 G HA3 -0.206 3.718 3.960 -0.061 0.000 0.218 442 G C 1.278 176.205 174.900 0.044 0.000 1.146 442 G CA 1.402 46.530 45.100 0.046 0.000 0.769 442 G HN 0.471 nan 8.290 nan 0.000 0.547 443 T N 1.325 115.904 114.554 0.041 0.000 2.777 443 T HA -0.027 4.287 4.350 -0.061 0.000 0.266 443 T C 2.377 177.100 174.700 0.039 0.000 1.040 443 T CA 0.958 63.079 62.100 0.036 0.000 1.141 443 T CB -0.124 68.760 68.868 0.028 0.000 0.868 443 T HN 0.270 nan 8.240 nan 0.000 0.444 444 I N 1.616 122.211 120.570 0.042 0.000 2.226 444 I HA -0.153 3.981 4.170 -0.061 0.000 0.245 444 I C 3.020 179.168 176.117 0.053 0.000 1.100 444 I CA 1.087 62.414 61.300 0.044 0.000 1.374 444 I CB -0.543 37.486 38.000 0.048 0.000 1.057 444 I HN 0.208 nan 8.210 nan 0.000 0.413 445 A N 0.821 123.677 122.820 0.059 0.000 1.908 445 A HA -0.206 4.078 4.320 -0.061 0.000 0.218 445 A C 2.540 180.164 177.584 0.065 0.000 1.181 445 A CA 2.033 54.108 52.037 0.064 0.000 0.627 445 A CB -0.894 18.143 19.000 0.063 0.000 0.818 445 A HN 0.440 nan 8.150 nan 0.000 0.445 446 A N -0.477 122.381 122.820 0.065 0.000 1.933 446 A HA -0.141 4.142 4.320 -0.061 0.000 0.218 446 A C 2.252 179.876 177.584 0.067 0.000 1.175 446 A CA 1.504 53.586 52.037 0.075 0.000 0.628 446 A CB -0.424 18.618 19.000 0.070 0.000 0.814 446 A HN 0.554 nan 8.150 nan 0.000 0.444 447 R N -0.588 119.945 120.500 0.055 0.000 2.075 447 R HA 0.034 4.337 4.340 -0.061 0.000 0.232 447 R C 2.001 178.331 176.300 0.050 0.000 1.126 447 R CA 1.274 57.403 56.100 0.049 0.000 0.963 447 R CB -0.430 29.893 30.300 0.037 0.000 0.858 447 R HN 0.496 nan 8.270 nan 0.000 0.435 448 L N -0.229 121.024 121.223 0.050 0.000 2.093 448 L HA -0.215 4.088 4.340 -0.061 0.000 0.208 448 L C 2.749 179.650 176.870 0.051 0.000 1.085 448 L CA 0.765 55.634 54.840 0.048 0.000 0.755 448 L CB -0.514 41.575 42.059 0.049 0.000 0.904 448 L HN 0.379 nan 8.230 nan 0.000 0.435 449 C N 0.353 119.687 119.300 0.056 0.000 2.425 449 C HA -0.160 4.263 4.460 -0.061 0.000 0.277 449 C C 3.098 178.128 174.990 0.066 0.000 1.280 449 C CA 0.908 59.959 59.018 0.054 0.000 1.744 449 C CB -0.557 27.217 27.740 0.057 0.000 1.989 449 C HN 0.490 nan 8.230 nan 0.000 0.491 450 R N 1.272 121.814 120.500 0.071 0.000 2.081 450 R HA -0.072 4.232 4.340 -0.061 0.000 0.235 450 R C 2.109 178.457 176.300 0.080 0.000 1.131 450 R CA 1.988 58.136 56.100 0.080 0.000 0.960 450 R CB -0.838 29.507 30.300 0.075 0.000 0.856 450 R HN 0.524 nan 8.270 nan 0.000 0.436 451 E N 0.715 120.954 120.200 0.066 0.000 2.110 451 E HA -0.169 4.144 4.350 -0.061 0.000 0.193 451 E C 1.829 178.472 176.600 0.072 0.000 0.988 451 E CA 1.289 57.726 56.400 0.061 0.000 0.804 451 E CB -0.085 29.643 29.700 0.047 0.000 0.745 451 E HN 0.432 nan 8.360 nan 0.000 0.458 452 K N 0.271 120.714 120.400 0.072 0.000 2.097 452 K HA -0.007 4.276 4.320 -0.061 0.000 0.205 452 K C 2.299 178.986 176.600 0.145 0.000 1.050 452 K CA 0.713 57.048 56.287 0.079 0.000 0.938 452 K CB -0.095 32.431 32.500 0.042 0.000 0.718 452 K HN 0.090 nan 8.250 nan 0.000 0.442 453 I N 1.494 122.162 120.570 0.163 0.000 2.286 453 I HA -0.280 3.853 4.170 -0.061 0.000 0.248 453 I C 1.569 177.804 176.117 0.197 0.000 1.115 453 I CA 1.147 62.597 61.300 0.250 0.000 1.392 453 I CB -0.248 37.869 38.000 0.195 0.000 1.065 453 I HN 0.142 nan 8.210 nan 0.000 0.418 454 D N 0.602 121.078 120.400 0.126 0.000 2.117 454 D HA -0.129 4.475 4.640 -0.061 0.000 0.197 454 D C 2.336 178.689 176.300 0.089 0.000 0.987 454 D CA 0.935 54.986 54.000 0.085 0.000 0.829 454 D CB -0.204 40.636 40.800 0.066 0.000 0.961 454 D HN 0.179 nan 8.370 nan 0.000 0.460 455 R N -0.084 120.484 120.500 0.113 0.000 2.075 455 R HA -0.115 4.189 4.340 -0.061 0.000 0.232 455 R C 2.142 178.550 176.300 0.180 0.000 1.126 455 R CA 0.477 56.644 56.100 0.112 0.000 0.963 455 R CB -1.048 29.308 30.300 0.094 0.000 0.858 455 R HN 0.346 nan 8.270 nan 0.000 0.435 456 W N 1.899 123.198 121.300 -0.001 0.000 2.363 456 W HA -0.083 4.522 4.660 -0.093 0.000 0.296 456 W C 2.091 178.599 176.519 -0.017 0.000 1.212 456 W CA 1.366 58.709 57.345 -0.002 0.000 1.260 456 W CB -0.596 28.870 29.460 0.009 0.000 1.131 456 W HN 0.135 nan 8.180 nan 0.000 0.530 457 A N 0.105 122.924 122.820 -0.001 0.000 1.933 457 A HA -0.216 4.068 4.320 -0.061 0.000 0.218 457 A C 1.873 179.369 177.584 -0.146 0.000 1.175 457 A CA 1.938 53.859 52.037 -0.194 0.000 0.628 457 A CB -0.769 18.143 19.000 -0.146 0.000 0.814 457 A HN 0.434 nan 8.150 nan 0.000 0.444 458 E N -0.358 119.814 120.200 -0.047 0.000 2.072 458 E HA -0.109 4.204 4.350 -0.061 0.000 0.191 458 E C 1.834 178.413 176.600 -0.035 0.000 0.985 458 E CA 1.158 57.532 56.400 -0.044 0.000 0.801 458 E CB -0.240 29.459 29.700 -0.002 0.000 0.750 458 E HN 0.695 nan 8.360 nan 0.000 0.452 459 I N 0.751 121.337 120.570 0.026 0.000 2.226 459 I HA -0.273 3.860 4.170 -0.061 0.000 0.245 459 I C 2.189 178.310 176.117 0.007 0.000 1.100 459 I CA 0.944 62.276 61.300 0.053 0.000 1.374 459 I CB -0.127 37.962 38.000 0.147 0.000 1.057 459 I HN 0.124 nan 8.210 nan 0.000 0.413 460 L N 0.358 121.555 121.223 -0.043 0.000 2.083 460 L HA -0.191 4.113 4.340 -0.061 0.000 0.209 460 L C 2.836 179.592 176.870 -0.189 0.000 1.083 460 L CA 1.197 55.966 54.840 -0.117 0.000 0.752 460 L CB -0.675 41.220 42.059 -0.274 0.000 0.899 460 L HN 0.241 nan 8.230 nan 0.000 0.433 461 A N 0.448 123.126 122.820 -0.237 0.000 1.877 461 A HA -0.202 4.081 4.320 -0.061 0.000 0.216 461 A C 2.202 179.654 177.584 -0.220 0.000 1.186 461 A CA 1.622 53.486 52.037 -0.288 0.000 0.620 461 A CB -0.660 18.183 19.000 -0.262 0.000 0.822 461 A HN 0.351 nan 8.150 nan 0.000 0.443 462 I N -0.882 119.606 120.570 -0.137 0.000 2.179 462 I HA -0.237 3.896 4.170 -0.061 0.000 0.242 462 I C 2.438 178.462 176.117 -0.154 0.000 1.088 462 I CA 1.325 62.562 61.300 -0.104 0.000 1.357 462 I CB -0.327 37.653 38.000 -0.034 0.000 1.051 462 I HN 0.402 nan 8.210 nan 0.000 0.409 463 L N 1.274 122.432 121.223 -0.108 0.000 2.042 463 L HA -0.173 4.131 4.340 -0.061 0.000 0.210 463 L C 2.534 179.336 176.870 -0.115 0.000 1.076 463 L CA 2.149 56.932 54.840 -0.093 0.000 0.749 463 L CB -0.808 41.240 42.059 -0.017 0.000 0.893 463 L HN 0.196 nan 8.230 nan 0.000 0.432 464 A N -0.546 122.203 122.820 -0.117 0.000 1.902 464 A HA -0.159 4.125 4.320 -0.061 0.000 0.217 464 A C 2.262 179.768 177.584 -0.130 0.000 1.181 464 A CA 1.971 53.956 52.037 -0.086 0.000 0.623 464 A CB -0.878 18.034 19.000 -0.148 0.000 0.818 464 A HN 0.506 nan 8.150 nan 0.000 0.443 465 L N -0.925 120.173 121.223 -0.209 0.000 2.046 465 L HA -0.237 4.066 4.340 -0.061 0.000 0.208 465 L C 2.744 179.397 176.870 -0.362 0.000 1.077 465 L CA 1.211 55.936 54.840 -0.192 0.000 0.747 465 L CB -0.730 41.262 42.059 -0.112 0.000 0.896 465 L HN 0.486 nan 8.230 nan 0.000 0.432 466 C N -0.118 118.819 119.300 -0.605 0.000 2.432 466 C HA -0.151 4.272 4.460 -0.061 0.000 0.277 466 C C 2.761 177.558 174.990 -0.321 0.000 1.249 466 C CA 0.548 59.099 59.018 -0.779 0.000 1.725 466 C CB -0.762 26.639 27.740 -0.566 0.000 2.028 466 C HN 0.428 nan 8.230 nan 0.000 0.477 467 L N 0.866 121.986 121.223 -0.172 0.000 2.083 467 L HA -0.138 4.166 4.340 -0.061 0.000 0.209 467 L C 2.841 179.700 176.870 -0.018 0.000 1.083 467 L CA 1.452 56.257 54.840 -0.059 0.000 0.752 467 L CB -0.684 41.371 42.059 -0.006 0.000 0.899 467 L HN 0.348 nan 8.230 nan 0.000 0.433 468 A N -0.341 122.472 122.820 -0.012 0.000 1.902 468 A HA -0.281 4.003 4.320 -0.061 0.000 0.217 468 A C 2.214 179.830 177.584 0.055 0.000 1.181 468 A CA 1.896 53.958 52.037 0.041 0.000 0.623 468 A CB -0.470 18.569 19.000 0.066 0.000 0.818 468 A HN 0.419 nan 8.150 nan 0.000 0.443 469 Q N -0.333 119.502 119.800 0.058 0.000 2.046 469 Q HA 0.013 4.317 4.340 -0.061 0.000 0.200 469 Q C 2.074 178.114 176.000 0.067 0.000 0.975 469 Q CA 2.017 57.891 55.803 0.119 0.000 0.836 469 Q CB -0.509 28.398 28.738 0.282 0.000 0.896 469 Q HN 0.534 nan 8.270 nan 0.000 0.428 470 A N 0.411 123.244 122.820 0.022 0.000 1.940 470 A HA -0.099 4.184 4.320 -0.061 0.000 0.219 470 A C 2.283 179.877 177.584 0.018 0.000 1.176 470 A CA 1.812 53.856 52.037 0.012 0.000 0.631 470 A CB -1.165 17.826 19.000 -0.014 0.000 0.814 470 A HN 0.549 nan 8.150 nan 0.000 0.446 471 A N -0.113 122.721 122.820 0.023 0.000 1.898 471 A HA -0.154 4.130 4.320 -0.061 0.000 0.216 471 A C 1.911 179.513 177.584 0.029 0.000 1.181 471 A CA 1.583 53.637 52.037 0.028 0.000 0.620 471 A CB -0.475 18.547 19.000 0.036 0.000 0.819 471 A HN 0.648 nan 8.150 nan 0.000 0.442 472 E N -0.202 120.020 120.200 0.036 0.000 2.152 472 E HA -0.058 4.255 4.350 -0.061 0.000 0.192 472 E C 1.899 178.514 176.600 0.025 0.000 0.983 472 E CA 0.799 57.219 56.400 0.034 0.000 0.818 472 E CB -0.236 29.491 29.700 0.045 0.000 0.758 472 E HN 0.599 nan 8.360 nan 0.000 0.467 473 L N 0.508 121.745 121.223 0.023 0.000 2.056 473 L HA -0.146 4.158 4.340 -0.061 0.000 0.207 473 L C 2.659 179.531 176.870 0.004 0.000 1.078 473 L CA 0.933 55.778 54.840 0.008 0.000 0.749 473 L CB -0.154 41.907 42.059 0.003 0.000 0.901 473 L HN 0.022 nan 8.230 nan 0.000 0.433 474 R N -0.180 120.325 120.500 0.008 0.000 2.062 474 R HA -0.052 4.252 4.340 -0.061 0.000 0.226 474 R C 1.811 178.116 176.300 0.008 0.000 1.125 474 R CA 1.709 57.812 56.100 0.006 0.000 0.966 474 R CB -0.457 29.847 30.300 0.007 0.000 0.861 474 R HN 0.346 nan 8.270 nan 0.000 0.433 475 C N 0.392 119.700 119.300 0.013 0.000 2.974 475 C HA 0.645 5.068 4.460 -0.061 0.000 0.282 475 C C 0.632 175.631 174.990 0.015 0.000 1.292 475 C CA -0.338 58.689 59.018 0.014 0.000 1.710 475 C CB -0.899 26.852 27.740 0.018 0.000 2.036 475 C HN 0.758 nan 8.230 nan 0.000 0.629 476 G N 1.707 110.516 108.800 0.015 0.000 2.781 476 G HA2 -0.163 3.761 3.960 -0.061 0.000 0.683 476 G HA3 -0.163 3.761 3.960 -0.061 0.000 0.683 476 G C 0.721 175.633 174.900 0.021 0.000 1.390 476 G CA 0.037 45.146 45.100 0.016 0.000 0.850 476 G HN 0.767 nan 8.290 nan 0.000 0.557 477 S N -0.667 115.046 115.700 0.021 0.000 2.419 477 S HA 0.036 4.470 4.470 -0.061 0.000 0.235 477 S C 2.426 177.041 174.600 0.025 0.000 1.019 477 S CA 1.894 60.110 58.200 0.025 0.000 0.982 477 S CB -0.231 62.983 63.200 0.024 0.000 0.789 477 S HN 2.148 nan 8.310 nan 0.000 0.490 478 G N 0.887 109.699 108.800 0.021 0.000 2.650 478 G HA2 0.312 4.236 3.960 -0.061 0.000 0.214 478 G HA3 0.312 4.236 3.960 -0.061 0.000 0.214 478 G C 0.570 175.483 174.900 0.021 0.000 1.136 478 G CA 0.052 45.164 45.100 0.020 0.000 0.789 478 G HN 0.608 nan 8.290 nan 0.000 0.536 479 L N 0.851 122.088 121.223 0.023 0.000 3.597 479 L HA -0.138 4.166 4.340 -0.061 0.000 0.440 479 L C -0.922 175.960 176.870 0.021 0.000 1.277 479 L CA -0.152 54.702 54.840 0.024 0.000 0.852 479 L CB -1.741 40.335 42.059 0.028 0.000 1.708 479 L HN 0.213 nan 8.230 nan 0.000 0.885 480 D N 1.352 121.763 120.400 0.018 0.000 2.450 480 D HA 0.298 4.902 4.640 -0.061 0.000 0.247 480 D C 1.356 177.666 176.300 0.016 0.000 1.162 480 D CA 1.392 55.402 54.000 0.016 0.000 0.879 480 D CB 1.336 42.144 40.800 0.013 0.000 1.163 480 D HN 0.544 nan 8.370 nan 0.000 0.472 481 G N 1.513 110.323 108.800 0.016 0.000 2.217 481 G HA2 -0.277 3.647 3.960 -0.061 0.000 0.246 481 G HA3 -0.277 3.647 3.960 -0.061 0.000 0.246 481 G C 0.434 175.346 174.900 0.020 0.000 0.990 481 G CA 0.001 45.111 45.100 0.017 0.000 0.627 481 G HN 0.516 nan 8.290 nan 0.000 0.522 482 V N 2.816 122.743 119.914 0.022 0.000 2.555 482 V HA 0.492 4.576 4.120 -0.061 0.000 0.286 482 V C 1.486 177.595 176.094 0.026 0.000 1.044 482 V CA 0.146 62.462 62.300 0.027 0.000 1.026 482 V CB 1.285 33.126 31.823 0.029 0.000 0.981 482 V HN 1.085 nan 8.190 nan 0.000 0.480 483 S N 5.637 121.356 115.700 0.030 0.000 2.560 483 S HA 0.079 4.513 4.470 -0.061 0.000 0.276 483 S C -1.662 172.952 174.600 0.023 0.000 1.350 483 S CA -0.492 57.725 58.200 0.028 0.000 1.024 483 S CB 0.314 63.536 63.200 0.037 0.000 0.864 483 S HN 0.590 nan 8.310 nan 0.000 0.536 484 P HA -0.029 nan 4.420 nan 0.000 0.216 484 P C 1.611 178.917 177.300 0.010 0.000 1.150 484 P CA 1.857 64.965 63.100 0.013 0.000 0.837 484 P CB -0.237 31.469 31.700 0.009 0.000 0.786 485 A N -0.196 122.628 122.820 0.006 0.000 1.898 485 A HA -0.057 4.226 4.320 -0.061 0.000 0.216 485 A C 2.485 180.070 177.584 0.002 0.000 1.181 485 A CA 2.012 54.046 52.037 -0.006 0.000 0.620 485 A CB -1.877 17.115 19.000 -0.014 0.000 0.819 485 A HN 0.264 nan 8.150 nan 0.000 0.442 486 G N -0.263 108.548 108.800 0.018 0.000 2.418 486 G HA2 -0.238 3.686 3.960 -0.061 0.000 0.217 486 G HA3 -0.238 3.686 3.960 -0.061 0.000 0.217 486 G C 1.684 176.605 174.900 0.035 0.000 1.158 486 G CA 1.138 46.257 45.100 0.031 0.000 0.771 486 G HN 0.568 nan 8.290 nan 0.000 0.545 487 K N 0.195 120.614 120.400 0.030 0.000 2.026 487 K HA -0.072 4.211 4.320 -0.061 0.000 0.208 487 K C 2.454 179.075 176.600 0.035 0.000 1.048 487 K CA 1.358 57.665 56.287 0.032 0.000 0.929 487 K CB -0.152 32.364 32.500 0.026 0.000 0.713 487 K HN 0.251 nan 8.250 nan 0.000 0.439 488 K N 1.348 121.764 120.400 0.026 0.000 2.057 488 K HA -0.139 4.145 4.320 -0.061 0.000 0.207 488 K C 2.157 178.782 176.600 0.042 0.000 1.049 488 K CA 0.992 57.295 56.287 0.026 0.000 0.931 488 K CB -0.087 32.419 32.500 0.010 0.000 0.714 488 K HN 0.103 nan 8.250 nan 0.000 0.440 489 L N 0.545 121.792 121.223 0.040 0.000 1.994 489 L HA -0.176 4.128 4.340 -0.061 0.000 0.208 489 L C 2.080 179.023 176.870 0.122 0.000 1.071 489 L CA 1.148 56.033 54.840 0.075 0.000 0.745 489 L CB -0.180 41.909 42.059 0.050 0.000 0.892 489 L HN 0.018 nan 8.230 nan 0.000 0.431 490 V N -0.019 119.953 119.914 0.096 0.000 2.295 490 V HA -0.326 3.757 4.120 -0.061 0.000 0.246 490 V C 2.484 178.635 176.094 0.095 0.000 1.049 490 V CA 2.113 64.472 62.300 0.098 0.000 1.024 490 V CB -0.698 31.170 31.823 0.074 0.000 0.648 490 V HN 0.556 nan 8.190 nan 0.000 0.447 491 Q N -0.171 119.674 119.800 0.074 0.000 2.124 491 Q HA -0.172 4.132 4.340 -0.061 0.000 0.202 491 Q C 2.412 178.454 176.000 0.070 0.000 0.977 491 Q CA 1.725 57.565 55.803 0.062 0.000 0.850 491 Q CB -0.423 28.342 28.738 0.045 0.000 0.901 491 Q HN 0.684 nan 8.270 nan 0.000 0.429 492 A N 0.868 123.739 122.820 0.086 0.000 1.902 492 A HA -0.141 4.142 4.320 -0.061 0.000 0.217 492 A C 2.058 179.713 177.584 0.118 0.000 1.181 492 A CA 1.019 53.112 52.037 0.094 0.000 0.623 492 A CB -0.579 18.494 19.000 0.122 0.000 0.818 492 A HN 0.274 nan 8.150 nan 0.000 0.443 493 L N -1.147 120.180 121.223 0.173 0.000 2.056 493 L HA -0.121 4.183 4.340 -0.061 0.000 0.207 493 L C 2.631 179.641 176.870 0.234 0.000 1.078 493 L CA 0.833 55.826 54.840 0.255 0.000 0.749 493 L CB -0.411 41.788 42.059 0.234 0.000 0.901 493 L HN 0.244 nan 8.230 nan 0.000 0.433 494 R N 0.073 120.661 120.500 0.148 0.000 2.293 494 R HA -0.163 4.140 4.340 -0.061 0.000 0.219 494 R C 1.912 178.237 176.300 0.042 0.000 1.091 494 R CA 0.687 56.851 56.100 0.107 0.000 1.004 494 R CB -0.344 30.005 30.300 0.082 0.000 0.865 494 R HN 0.312 nan 8.270 nan 0.000 0.469 495 E N 0.566 120.776 120.200 0.016 0.000 2.208 495 E HA -0.124 4.189 4.350 -0.061 0.000 0.193 495 E C 1.131 177.658 176.600 -0.122 0.000 0.988 495 E CA 1.254 57.631 56.400 -0.038 0.000 0.828 495 E CB 0.292 29.973 29.700 -0.033 0.000 0.763 495 E HN 0.136 nan 8.360 nan 0.000 0.478 496 Q N -1.340 118.330 119.800 -0.217 0.000 2.280 496 Q HA 0.178 4.481 4.340 -0.061 0.000 0.244 496 Q C -0.528 175.022 176.000 -0.749 0.000 0.847 496 Q CA 0.128 55.614 55.803 -0.528 0.000 0.945 496 Q CB 0.814 29.083 28.738 -0.782 0.000 1.115 496 Q HN 0.165 nan 8.270 nan 0.000 0.513 497 F N 2.070 122.016 119.950 -0.007 0.000 2.500 497 F HA 0.434 4.927 4.527 -0.057 0.000 0.349 497 F C -2.182 173.633 175.800 0.027 0.000 1.127 497 F CA -2.635 55.371 58.000 0.010 0.000 0.998 497 F CB 1.407 40.417 39.000 0.017 0.000 1.237 497 F HN -0.205 nan 8.300 nan 0.000 0.439 498 P HA 0.184 nan 4.420 nan 0.000 0.270 498 P C -2.466 174.908 177.300 0.124 0.000 1.223 498 P CA -0.976 62.183 63.100 0.099 0.000 0.785 498 P CB 0.149 31.883 31.700 0.056 0.000 0.923 499 P HA 0.073 nan 4.420 nan 0.000 0.270 499 P C -0.696 176.651 177.300 0.079 0.000 1.223 499 P CA -0.069 63.093 63.100 0.103 0.000 0.785 499 P CB 0.278 32.023 31.700 0.076 0.000 0.923 500 L N 2.159 123.428 121.223 0.077 0.000 2.352 500 L HA 0.150 4.453 4.340 -0.061 0.000 0.272 500 L C 0.921 177.791 176.870 -0.001 0.000 1.109 500 L CA 0.594 55.426 54.840 -0.012 0.000 0.952 500 L CB -0.668 41.292 42.059 -0.164 0.000 1.314 500 L HN 0.320 nan 8.230 nan 0.000 0.427 501 E N 1.131 121.336 120.200 0.008 0.000 2.299 501 E HA 0.044 4.357 4.350 -0.061 0.000 0.193 501 E C 0.202 176.809 176.600 0.013 0.000 0.998 501 E CA 0.355 56.765 56.400 0.016 0.000 0.851 501 E CB 0.390 30.100 29.700 0.018 0.000 0.795 501 E HN 0.553 nan 8.360 nan 0.000 0.492 502 T N 0.511 115.061 114.554 -0.006 0.000 2.932 502 T HA 0.102 4.415 4.350 -0.061 0.000 0.318 502 T C -1.801 172.873 174.700 -0.044 0.000 1.265 502 T CA -0.973 61.122 62.100 -0.009 0.000 1.036 502 T CB 1.396 70.262 68.868 -0.004 0.000 1.209 502 T HN -0.216 nan 8.240 nan 0.000 0.484 503 D N 3.101 123.470 120.400 -0.051 0.000 2.525 503 D HA 0.294 4.898 4.640 -0.061 0.000 0.235 503 D C 0.626 176.884 176.300 -0.072 0.000 1.137 503 D CA 0.745 54.694 54.000 -0.085 0.000 0.868 503 D CB 0.341 41.097 40.800 -0.073 0.000 1.180 503 D HN 0.694 nan 8.370 nan 0.000 0.465 504 R N 0.469 120.916 120.500 -0.088 0.000 2.710 504 R HA 0.630 4.933 4.340 -0.061 0.000 0.270 504 R C -3.141 173.126 176.300 -0.055 0.000 1.021 504 R CA -1.731 54.335 56.100 -0.056 0.000 0.889 504 R CB 0.305 30.582 30.300 -0.039 0.000 1.243 504 R HN 0.001 nan 8.270 nan 0.000 0.464 505 P HA 0.122 nan 4.420 nan 0.000 0.267 505 P C -0.305 176.992 177.300 -0.006 0.000 1.205 505 P CA -0.215 62.874 63.100 -0.019 0.000 0.765 505 P CB 0.579 32.274 31.700 -0.008 0.000 0.828 506 L N 1.624 122.846 121.223 -0.001 0.000 2.731 506 L HA 0.179 4.483 4.340 -0.061 0.000 0.240 506 L C 2.289 179.179 176.870 0.033 0.000 1.120 506 L CA 0.366 55.221 54.840 0.025 0.000 0.913 506 L CB -0.290 41.791 42.059 0.036 0.000 1.213 506 L HN 0.531 nan 8.230 nan 0.000 0.515 507 G N 0.291 109.105 108.800 0.022 0.000 2.529 507 G HA2 -0.305 3.618 3.960 -0.061 0.000 0.219 507 G HA3 -0.305 3.618 3.960 -0.061 0.000 0.219 507 G C 1.389 176.305 174.900 0.027 0.000 1.177 507 G CA 0.748 45.861 45.100 0.020 0.000 0.773 507 G HN 0.378 nan 8.290 nan 0.000 0.573 508 Q N -0.124 119.698 119.800 0.036 0.000 2.167 508 Q HA -0.070 4.234 4.340 -0.061 0.000 0.202 508 Q C 2.503 178.553 176.000 0.085 0.000 0.970 508 Q CA 1.230 57.062 55.803 0.049 0.000 0.855 508 Q CB -0.090 28.674 28.738 0.044 0.000 0.911 508 Q HN 0.630 nan 8.270 nan 0.000 0.438 509 E N 0.572 120.837 120.200 0.109 0.000 2.107 509 E HA -0.129 4.185 4.350 -0.061 0.000 0.191 509 E C 1.956 178.567 176.600 0.018 0.000 0.982 509 E CA 0.653 57.169 56.400 0.193 0.000 0.809 509 E CB 0.010 29.840 29.700 0.217 0.000 0.756 509 E HN 0.330 nan 8.360 nan 0.000 0.459 510 I N 1.126 121.681 120.570 -0.025 0.000 2.179 510 I HA -0.286 3.848 4.170 -0.061 0.000 0.242 510 I C 2.524 178.605 176.117 -0.061 0.000 1.088 510 I CA 1.047 62.299 61.300 -0.080 0.000 1.357 510 I CB -0.275 37.706 38.000 -0.033 0.000 1.051 510 I HN 0.094 nan 8.210 nan 0.000 0.409 511 A N 0.599 123.415 122.820 -0.008 0.000 1.898 511 A HA -0.125 4.158 4.320 -0.061 0.000 0.216 511 A C 2.531 180.129 177.584 0.023 0.000 1.181 511 A CA 1.742 53.782 52.037 0.004 0.000 0.620 511 A CB -0.792 18.220 19.000 0.019 0.000 0.819 511 A HN 0.430 nan 8.150 nan 0.000 0.442 512 A N -0.536 122.327 122.820 0.072 0.000 1.902 512 A HA -0.026 4.258 4.320 -0.061 0.000 0.217 512 A C 2.124 179.797 177.584 0.148 0.000 1.181 512 A CA 1.734 53.851 52.037 0.132 0.000 0.623 512 A CB -0.606 18.527 19.000 0.223 0.000 0.818 512 A HN 0.647 nan 8.150 nan 0.000 0.443 513 L N -0.267 121.000 121.223 0.074 0.000 2.093 513 L HA -0.002 4.302 4.340 -0.061 0.000 0.208 513 L C 2.662 179.459 176.870 -0.120 0.000 1.085 513 L CA 2.005 56.806 54.840 -0.066 0.000 0.755 513 L CB -0.840 40.925 42.059 -0.489 0.000 0.904 513 L HN 0.348 nan 8.230 nan 0.000 0.435 514 A N -1.489 121.252 122.820 -0.132 0.000 1.908 514 A HA -0.239 4.044 4.320 -0.061 0.000 0.218 514 A C 2.273 179.798 177.584 -0.098 0.000 1.181 514 A CA 2.408 54.357 52.037 -0.148 0.000 0.627 514 A CB -1.259 17.684 19.000 -0.095 0.000 0.818 514 A HN 0.499 nan 8.150 nan 0.000 0.445 515 T N -1.453 113.088 114.554 -0.022 0.000 2.788 515 T HA -0.170 4.144 4.350 -0.061 0.000 0.268 515 T C 1.853 176.562 174.700 0.016 0.000 1.044 515 T CA 1.929 64.035 62.100 0.010 0.000 1.139 515 T CB -0.382 68.511 68.868 0.042 0.000 0.867 515 T HN 0.813 nan 8.240 nan 0.000 0.454 516 H N 1.010 120.042 119.070 -0.064 0.000 2.363 516 H HA 0.147 4.666 4.556 -0.061 0.000 0.301 516 H C 1.981 177.238 175.328 -0.118 0.000 1.074 516 H CA 1.105 57.120 56.048 -0.055 0.000 1.354 516 H CB -0.465 29.291 29.762 -0.010 0.000 1.397 516 H HN 0.241 nan 8.280 nan 0.000 0.516 517 L N 0.005 121.026 121.223 -0.336 0.000 2.131 517 L HA -0.152 4.152 4.340 -0.061 0.000 0.210 517 L C 2.182 178.886 176.870 -0.276 0.000 1.092 517 L CA 0.900 55.404 54.840 -0.560 0.000 0.759 517 L CB -0.433 41.123 42.059 -0.837 0.000 0.903 517 L HN 0.335 nan 8.230 nan 0.000 0.435 518 L N -0.778 120.327 121.223 -0.195 0.000 2.376 518 L HA -0.143 4.161 4.340 -0.061 0.000 0.219 518 L C 2.064 178.889 176.870 -0.076 0.000 1.133 518 L CA 0.926 55.717 54.840 -0.083 0.000 0.816 518 L CB -0.158 41.888 42.059 -0.022 0.000 0.933 518 L HN 0.375 nan 8.230 nan 0.000 0.449 519 Q N -1.589 118.076 119.800 -0.225 0.000 2.245 519 Q HA 0.218 4.522 4.340 -0.061 0.000 0.236 519 Q C -0.107 175.452 176.000 -0.734 0.000 0.842 519 Q CA 0.023 55.651 55.803 -0.292 0.000 0.945 519 Q CB 1.157 29.851 28.738 -0.074 0.000 1.122 519 Q HN 0.409 nan 8.270 nan 0.000 0.506 520 Q N -0.013 119.324 119.800 -0.773 0.000 2.340 520 Q HA 0.452 4.756 4.340 -0.061 0.000 0.276 520 Q C -1.290 174.614 176.000 -0.160 0.000 1.048 520 Q CA -0.390 55.054 55.803 -0.597 0.000 0.832 520 Q CB 2.686 31.201 28.738 -0.371 0.000 1.373 520 Q HN -0.047 nan 8.270 nan 0.000 0.409 521 S N 2.249 117.936 115.700 -0.022 0.000 2.654 521 S HA 0.512 4.945 4.470 -0.061 0.000 0.283 521 S C -2.372 172.007 174.600 -0.369 0.000 1.180 521 S CA -1.124 56.990 58.200 -0.142 0.000 1.021 521 S CB 0.813 63.977 63.200 -0.060 0.000 1.018 521 S HN 0.416 nan 8.310 nan 0.000 0.532 522 P HA 0.229 nan 4.420 nan 0.000 0.271 522 P C -0.681 176.411 177.300 -0.347 0.000 1.380 522 P CA -0.056 62.598 63.100 -0.743 0.000 0.992 522 P CB -0.111 30.855 31.700 -1.224 0.000 1.230 523 V N 0.000 119.811 119.914 -0.171 0.000 2.409 523 V HA 0.000 4.084 4.120 -0.061 0.000 0.244 523 V CA 0.000 62.240 62.300 -0.100 0.000 1.235 523 V CB 0.000 31.776 31.823 -0.077 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556