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 2o7b_1_A DATA FIRST_RESID 7 DATA SEQUENCE PKPAVELDRH IDLDQAHAVA SGGARIVLAP PARDRCRASE ARLGAVIREA DATA SEQUENCE RHVYGLTTGF GPLANRLISG ENVRTLQANL VHHLASGVGP VLDWTTARAM DATA SEQUENCE VLARLVSIAQ GASGASEGTI ARLIDLLNSE LAPAVPSRGT VGXXXDLTPL DATA SEQUENCE AHMVLCLQGR GDFLDRDGTR LDGAEGLRRG RLQPLDLSHR DALALVNGTS DATA SEQUENCE AMTGIALVNA HACRHLGNWA VALTALLAEC LRGRTEAWAA ALSDLRPHPG DATA SEQUENCE QKDAAARLRA RVDGSARVVR HVIAERRLDA GDIGTEPEAG QDAYSLRCAP DATA SEQUENCE QVLGAGFDTL AWHDRVLTIE LNAVTDNPVF PPDGSVPALH GGNFMGQHVA DATA SEQUENCE LTSDALATAV TVLAGLAERQ IARLTDERLN RGLPPFLHRG PAGLNSGFMG DATA SEQUENCE AQVTATALLA EMRATGPASI HSISTNAANQ DVVSLGTIAA RLCREKIDRW DATA SEQUENCE AEILAILALC LAQAAELRCG SGLDGVSPAG KKLVQALREQ FPPLETDRPL DATA SEQUENCE GQEIAALATH LLQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.309 177.300 0.015 0.000 1.155 7 P CA 0.000 63.108 63.100 0.013 0.000 0.800 7 P CB 0.000 31.707 31.700 0.011 0.000 0.726 8 K N 2.565 122.976 120.400 0.018 0.000 2.369 8 K HA -0.092 4.185 4.320 -0.071 0.000 0.245 8 K C -1.835 174.777 176.600 0.019 0.000 1.112 8 K CA -0.104 56.196 56.287 0.021 0.000 1.179 8 K CB -0.026 32.487 32.500 0.022 0.000 0.734 8 K HN 0.167 nan 8.250 nan 0.000 0.502 9 P HA -0.013 nan 4.420 nan 0.000 0.270 9 P C -1.376 175.932 177.300 0.014 0.000 1.221 9 P CA -0.030 63.081 63.100 0.018 0.000 0.788 9 P CB 0.824 32.538 31.700 0.023 0.000 0.904 10 A N 1.177 124.004 122.820 0.011 0.000 2.374 10 A HA 0.532 4.809 4.320 -0.071 0.000 0.305 10 A C -1.079 176.508 177.584 0.004 0.000 1.053 10 A CA -0.563 51.477 52.037 0.006 0.000 0.726 10 A CB 1.104 20.107 19.000 0.005 0.000 1.229 10 A HN 0.290 nan 8.150 nan 0.000 0.431 11 V N 2.536 122.449 119.914 -0.001 0.000 2.350 11 V HA 0.289 4.366 4.120 -0.071 0.000 0.276 11 V C 0.335 176.426 176.094 -0.005 0.000 1.028 11 V CA -0.310 61.988 62.300 -0.003 0.000 0.860 11 V CB 1.210 33.027 31.823 -0.010 0.000 0.990 11 V HN 0.946 nan 8.190 nan 0.000 0.453 12 E N 4.617 124.817 120.200 -0.001 0.000 2.089 12 E HA 0.354 4.661 4.350 -0.071 0.000 0.284 12 E C -0.915 175.684 176.600 -0.001 0.000 1.023 12 E CA -0.770 55.630 56.400 -0.001 0.000 0.819 12 E CB 1.200 30.901 29.700 0.003 0.000 1.076 12 E HN 0.562 nan 8.360 nan 0.000 0.396 13 L N 5.290 126.509 121.223 -0.007 0.000 2.276 13 L HA 0.278 4.575 4.340 -0.071 0.000 0.286 13 L C -0.153 176.715 176.870 -0.002 0.000 1.061 13 L CA 0.519 55.353 54.840 -0.010 0.000 0.807 13 L CB 1.289 43.336 42.059 -0.020 0.000 1.177 13 L HN 0.734 nan 8.230 nan 0.000 0.429 14 D N 2.778 123.182 120.400 0.007 0.000 3.074 14 D HA 0.192 4.789 4.640 -0.071 0.000 0.227 14 D C 1.319 177.629 176.300 0.016 0.000 1.553 14 D CA 0.756 54.763 54.000 0.011 0.000 1.347 14 D CB 0.694 41.505 40.800 0.018 0.000 1.021 14 D HN 0.579 nan 8.370 nan 0.000 0.260 15 R N -1.732 118.789 120.500 0.034 0.000 2.302 15 R HA 0.223 4.520 4.340 -0.071 0.000 0.187 15 R C 0.175 176.518 176.300 0.073 0.000 0.904 15 R CA -0.176 55.951 56.100 0.045 0.000 1.105 15 R CB 0.527 30.857 30.300 0.051 0.000 1.239 15 R HN 0.204 nan 8.270 nan 0.000 0.620 16 H N 0.282 119.344 119.070 -0.013 0.000 2.469 16 H HA 0.555 5.068 4.556 -0.072 0.000 0.342 16 H C -1.390 173.931 175.328 -0.012 0.000 1.115 16 H CA -0.633 55.406 56.048 -0.014 0.000 1.204 16 H CB 1.405 31.158 29.762 -0.014 0.000 1.492 16 H HN 0.016 nan 8.280 nan 0.000 0.499 17 I N 4.477 124.735 120.570 -0.519 0.000 2.569 17 I HA 0.248 4.375 4.170 -0.071 0.000 0.290 17 I C -1.130 174.730 176.117 -0.428 0.000 1.088 17 I CA -0.869 60.251 61.300 -0.299 0.000 1.047 17 I CB 1.443 39.343 38.000 -0.168 0.000 1.237 17 I HN 0.842 nan 8.210 nan 0.000 0.421 18 D N 6.057 126.358 120.400 -0.166 0.000 2.423 18 D HA 0.193 4.790 4.640 -0.071 0.000 0.255 18 D C 0.993 177.263 176.300 -0.050 0.000 1.174 18 D CA -0.510 53.446 54.000 -0.073 0.000 1.008 18 D CB 0.922 41.755 40.800 0.054 0.000 1.101 18 D HN 0.503 nan 8.370 nan 0.000 0.516 19 L N -0.429 120.789 121.223 -0.008 0.000 2.083 19 L HA -0.142 4.155 4.340 -0.071 0.000 0.209 19 L C 1.547 178.450 176.870 0.054 0.000 1.083 19 L CA 1.367 56.219 54.840 0.021 0.000 0.752 19 L CB -0.468 41.617 42.059 0.042 0.000 0.899 19 L HN 0.444 nan 8.230 nan 0.000 0.433 20 D N -0.182 120.252 120.400 0.056 0.000 2.117 20 D HA -0.174 4.423 4.640 -0.071 0.000 0.198 20 D C 2.321 178.656 176.300 0.059 0.000 0.982 20 D CA 1.107 55.154 54.000 0.078 0.000 0.828 20 D CB -0.122 40.719 40.800 0.069 0.000 0.967 20 D HN 0.402 nan 8.370 nan 0.000 0.464 21 Q N 0.412 120.229 119.800 0.029 0.000 2.124 21 Q HA -0.070 4.227 4.340 -0.071 0.000 0.202 21 Q C 2.217 178.211 176.000 -0.009 0.000 0.977 21 Q CA 1.367 57.175 55.803 0.009 0.000 0.850 21 Q CB -0.106 28.628 28.738 -0.006 0.000 0.901 21 Q HN 0.202 nan 8.270 nan 0.000 0.429 22 A N 0.888 123.699 122.820 -0.016 0.000 1.902 22 A HA -0.243 4.034 4.320 -0.071 0.000 0.217 22 A C 1.965 179.524 177.584 -0.041 0.000 1.181 22 A CA 1.624 53.639 52.037 -0.036 0.000 0.623 22 A CB -0.837 18.142 19.000 -0.035 0.000 0.818 22 A HN 0.451 nan 8.150 nan 0.000 0.443 23 H N -0.048 118.963 119.070 -0.097 0.000 2.423 23 H HA 0.022 4.537 4.556 -0.069 0.000 0.297 23 H C 2.229 177.469 175.328 -0.147 0.000 1.075 23 H CA 1.418 57.369 56.048 -0.163 0.000 1.342 23 H CB -0.124 29.437 29.762 -0.334 0.000 1.395 23 H HN 0.412 nan 8.280 nan 0.000 0.530 24 A N 0.403 123.203 122.820 -0.035 0.000 1.933 24 A HA -0.093 4.184 4.320 -0.071 0.000 0.218 24 A C 2.796 180.336 177.584 -0.072 0.000 1.175 24 A CA 1.551 53.574 52.037 -0.023 0.000 0.628 24 A CB -0.742 18.271 19.000 0.023 0.000 0.814 24 A HN 0.292 nan 8.150 nan 0.000 0.444 25 V N -0.450 119.411 119.914 -0.089 0.000 2.346 25 V HA -0.133 3.945 4.120 -0.071 0.000 0.244 25 V C 3.033 179.029 176.094 -0.162 0.000 1.037 25 V CA 1.658 63.901 62.300 -0.095 0.000 1.029 25 V CB -1.130 30.644 31.823 -0.082 0.000 0.663 25 V HN 0.584 nan 8.190 nan 0.000 0.454 26 A N 0.847 123.532 122.820 -0.224 0.000 1.940 26 A HA -0.196 4.081 4.320 -0.071 0.000 0.219 26 A C 2.399 179.765 177.584 -0.364 0.000 1.176 26 A CA 2.225 54.077 52.037 -0.308 0.000 0.631 26 A CB -0.633 18.194 19.000 -0.289 0.000 0.814 26 A HN 0.686 nan 8.150 nan 0.000 0.446 27 S N -2.062 113.444 115.700 -0.323 0.000 2.603 27 S HA 0.370 4.797 4.470 -0.071 0.000 0.220 27 S C 1.391 176.113 174.600 0.203 0.000 0.967 27 S CA 1.028 59.182 58.200 -0.076 0.000 0.920 27 S CB -0.294 62.764 63.200 -0.236 0.000 0.773 27 S HN 1.939 nan 8.310 nan 0.000 0.529 28 G N 0.393 109.235 108.800 0.070 0.000 2.143 28 G HA2 -0.192 3.725 3.960 -0.071 0.000 0.249 28 G HA3 -0.192 3.725 3.960 -0.071 0.000 0.249 28 G C 0.762 175.730 174.900 0.113 0.000 0.981 28 G CA 0.083 45.285 45.100 0.170 0.000 0.665 28 G HN 0.989 nan 8.290 nan 0.000 0.528 29 G N -0.705 108.134 108.800 0.065 0.000 2.777 29 G HA2 0.624 4.541 3.960 -0.071 0.000 0.211 29 G HA3 0.624 4.541 3.960 -0.071 0.000 0.211 29 G C 0.563 175.488 174.900 0.041 0.000 1.149 29 G CA 1.538 46.674 45.100 0.059 0.000 0.785 29 G HN 1.811 nan 8.290 nan 0.000 0.536 30 A N -0.281 122.554 122.820 0.024 0.000 2.549 30 A HA 0.782 5.060 4.320 -0.071 0.000 0.297 30 A C -0.314 177.273 177.584 0.004 0.000 1.061 30 A CA -0.831 51.214 52.037 0.014 0.000 0.690 30 A CB 1.548 20.553 19.000 0.009 0.000 1.287 30 A HN 0.192 nan 8.150 nan 0.000 0.402 31 R N 0.021 120.524 120.500 0.005 0.000 2.546 31 R HA 0.679 4.976 4.340 -0.071 0.000 0.266 31 R C -0.691 175.602 176.300 -0.010 0.000 1.086 31 R CA -0.369 55.731 56.100 -0.001 0.000 1.160 31 R CB 1.147 31.449 30.300 0.003 0.000 1.138 31 R HN 0.681 nan 8.270 nan 0.000 0.567 32 I N 0.845 121.406 120.570 -0.016 0.000 2.545 32 I HA 0.398 4.525 4.170 -0.071 0.000 0.292 32 I C -1.446 174.662 176.117 -0.015 0.000 1.040 32 I CA -0.868 60.420 61.300 -0.020 0.000 1.068 32 I CB 1.900 39.881 38.000 -0.032 0.000 1.251 32 I HN 0.278 nan 8.210 nan 0.000 0.424 33 V N 7.919 127.826 119.914 -0.013 0.000 2.789 33 V HA 0.526 4.604 4.120 -0.071 0.000 0.311 33 V C -1.386 174.701 176.094 -0.011 0.000 1.073 33 V CA -0.695 61.599 62.300 -0.010 0.000 0.921 33 V CB 2.188 34.007 31.823 -0.006 0.000 1.009 33 V HN 0.643 nan 8.190 nan 0.000 0.426 34 L N 6.036 127.252 121.223 -0.011 0.000 2.265 34 L HA 0.781 5.079 4.340 -0.071 0.000 0.288 34 L C 0.654 177.520 176.870 -0.007 0.000 1.058 34 L CA 0.504 55.338 54.840 -0.010 0.000 0.809 34 L CB 0.927 42.978 42.059 -0.013 0.000 1.179 34 L HN 0.902 nan 8.230 nan 0.000 0.429 35 A N 6.831 129.649 122.820 -0.004 0.000 2.445 35 A HA 0.380 4.658 4.320 -0.071 0.000 0.242 35 A C -1.601 175.982 177.584 -0.002 0.000 1.075 35 A CA -0.777 51.260 52.037 -0.001 0.000 0.777 35 A CB -0.359 18.642 19.000 0.002 0.000 1.013 35 A HN 0.789 nan 8.150 nan 0.000 0.493 36 P HA -0.187 nan 4.420 nan 0.000 0.216 36 P C -1.303 175.996 177.300 -0.002 0.000 1.157 36 P CA 2.139 65.237 63.100 -0.002 0.000 0.880 36 P CB -0.722 30.977 31.700 -0.001 0.000 0.791 37 P HA -0.123 nan 4.420 nan 0.000 0.218 37 P C 1.258 178.559 177.300 0.001 0.000 1.149 37 P CA 1.805 64.905 63.100 0.001 0.000 0.817 37 P CB -0.403 31.299 31.700 0.003 0.000 0.785 38 A N 0.743 123.563 122.820 -0.000 0.000 1.897 38 A HA -0.143 4.134 4.320 -0.071 0.000 0.215 38 A C 2.558 180.139 177.584 -0.005 0.000 1.181 38 A CA 1.247 53.283 52.037 -0.001 0.000 0.620 38 A CB -1.263 17.735 19.000 -0.002 0.000 0.821 38 A HN 0.028 nan 8.150 nan 0.000 0.443 39 R N -0.236 120.260 120.500 -0.007 0.000 2.091 39 R HA -0.181 4.116 4.340 -0.071 0.000 0.238 39 R C 1.255 177.548 176.300 -0.011 0.000 1.136 39 R CA 1.965 58.058 56.100 -0.011 0.000 0.959 39 R CB -0.364 29.929 30.300 -0.011 0.000 0.856 39 R HN 0.466 nan 8.270 nan 0.000 0.437 40 D N 0.008 120.404 120.400 -0.008 0.000 2.117 40 D HA -0.116 4.482 4.640 -0.071 0.000 0.198 40 D C 2.051 178.348 176.300 -0.006 0.000 0.982 40 D CA 0.976 54.972 54.000 -0.007 0.000 0.828 40 D CB -0.189 40.608 40.800 -0.004 0.000 0.967 40 D HN 0.269 nan 8.370 nan 0.000 0.464 41 R N 0.121 120.620 120.500 -0.002 0.000 2.105 41 R HA -0.086 4.211 4.340 -0.071 0.000 0.239 41 R C 2.463 178.763 176.300 0.000 0.000 1.135 41 R CA 0.969 57.070 56.100 0.002 0.000 0.967 41 R CB -0.457 29.846 30.300 0.006 0.000 0.861 41 R HN 0.231 nan 8.270 nan 0.000 0.442 42 C N -0.220 119.077 119.300 -0.005 0.000 2.457 42 C HA 0.006 4.423 4.460 -0.071 0.000 0.278 42 C C 2.565 177.540 174.990 -0.024 0.000 1.309 42 C CA 0.367 59.379 59.018 -0.011 0.000 1.735 42 C CB -0.742 26.989 27.740 -0.016 0.000 1.992 42 C HN 0.454 nan 8.230 nan 0.000 0.493 43 R N 1.047 121.533 120.500 -0.025 0.000 2.096 43 R HA -0.088 4.210 4.340 -0.071 0.000 0.235 43 R C 2.370 178.653 176.300 -0.029 0.000 1.127 43 R CA 1.562 57.643 56.100 -0.031 0.000 0.968 43 R CB -0.423 29.862 30.300 -0.024 0.000 0.861 43 R HN 0.544 nan 8.270 nan 0.000 0.440 44 A N 0.138 122.947 122.820 -0.018 0.000 1.930 44 A HA -0.150 4.127 4.320 -0.071 0.000 0.217 44 A C 2.165 179.736 177.584 -0.022 0.000 1.175 44 A CA 1.693 53.722 52.037 -0.015 0.000 0.627 44 A CB -0.491 18.507 19.000 -0.003 0.000 0.815 44 A HN 0.282 nan 8.150 nan 0.000 0.443 45 S N -0.764 114.926 115.700 -0.017 0.000 2.383 45 S HA -0.186 4.241 4.470 -0.071 0.000 0.227 45 S C 2.008 176.557 174.600 -0.085 0.000 1.026 45 S CA 1.523 59.711 58.200 -0.020 0.000 0.981 45 S CB -0.325 62.889 63.200 0.024 0.000 0.818 45 S HN 0.675 nan 8.310 nan 0.000 0.472 46 E N 0.401 120.556 120.200 -0.075 0.000 2.085 46 E HA -0.150 4.157 4.350 -0.071 0.000 0.194 46 E C 2.059 178.599 176.600 -0.099 0.000 0.994 46 E CA 1.137 57.478 56.400 -0.098 0.000 0.801 46 E CB -0.364 29.282 29.700 -0.091 0.000 0.743 46 E HN 0.604 nan 8.360 nan 0.000 0.453 47 A N 1.269 124.046 122.820 -0.071 0.000 1.930 47 A HA -0.146 4.132 4.320 -0.071 0.000 0.217 47 A C 2.141 179.675 177.584 -0.084 0.000 1.175 47 A CA 1.211 53.214 52.037 -0.057 0.000 0.627 47 A CB -0.394 18.586 19.000 -0.033 0.000 0.815 47 A HN 0.177 nan 8.150 nan 0.000 0.443 48 R N -1.106 119.330 120.500 -0.106 0.000 2.096 48 R HA -0.114 4.183 4.340 -0.071 0.000 0.235 48 R C 2.058 178.195 176.300 -0.271 0.000 1.127 48 R CA 1.405 57.427 56.100 -0.130 0.000 0.968 48 R CB -0.619 29.632 30.300 -0.081 0.000 0.861 48 R HN 0.496 nan 8.270 nan 0.000 0.440 49 L N 0.646 121.614 121.223 -0.424 0.000 2.083 49 L HA -0.008 4.290 4.340 -0.071 0.000 0.209 49 L C 2.105 178.826 176.870 -0.248 0.000 1.083 49 L CA 1.992 56.490 54.840 -0.570 0.000 0.752 49 L CB -0.952 40.795 42.059 -0.519 0.000 0.899 49 L HN 0.151 nan 8.230 nan 0.000 0.433 50 G N -1.050 107.664 108.800 -0.144 0.000 2.418 50 G HA2 -0.228 3.689 3.960 -0.071 0.000 0.217 50 G HA3 -0.228 3.689 3.960 -0.071 0.000 0.217 50 G C 1.587 176.455 174.900 -0.053 0.000 1.158 50 G CA 0.754 45.815 45.100 -0.065 0.000 0.771 50 G HN 0.626 nan 8.290 nan 0.000 0.545 51 A N 0.082 122.867 122.820 -0.059 0.000 1.930 51 A HA 0.129 4.406 4.320 -0.071 0.000 0.217 51 A C 2.578 180.154 177.584 -0.013 0.000 1.175 51 A CA 1.623 53.643 52.037 -0.028 0.000 0.627 51 A CB -0.557 18.430 19.000 -0.020 0.000 0.815 51 A HN 0.235 nan 8.150 nan 0.000 0.443 52 V N 0.269 120.165 119.914 -0.031 0.000 2.343 52 V HA -0.273 3.804 4.120 -0.071 0.000 0.247 52 V C 2.401 178.515 176.094 0.034 0.000 1.051 52 V CA 2.103 64.418 62.300 0.025 0.000 1.036 52 V CB -0.592 31.256 31.823 0.041 0.000 0.654 52 V HN 0.582 nan 8.190 nan 0.000 0.451 53 I N -0.556 120.016 120.570 0.003 0.000 2.286 53 I HA -0.202 3.925 4.170 -0.071 0.000 0.245 53 I C 2.707 178.830 176.117 0.010 0.000 1.104 53 I CA 1.492 62.800 61.300 0.013 0.000 1.397 53 I CB -0.443 37.555 38.000 -0.002 0.000 1.072 53 I HN 0.202 nan 8.210 nan 0.000 0.417 54 R N 1.448 121.948 120.500 0.001 0.000 2.096 54 R HA -0.184 4.114 4.340 -0.071 0.000 0.235 54 R C 1.643 177.949 176.300 0.010 0.000 1.127 54 R CA 1.640 57.742 56.100 0.002 0.000 0.968 54 R CB -0.034 30.265 30.300 -0.002 0.000 0.861 54 R HN 0.414 nan 8.270 nan 0.000 0.440 55 E N -0.447 119.764 120.200 0.018 0.000 2.489 55 E HA 0.112 4.420 4.350 -0.071 0.000 0.193 55 E C 0.203 176.824 176.600 0.034 0.000 1.057 55 E CA 0.370 56.786 56.400 0.026 0.000 0.866 55 E CB 0.530 30.250 29.700 0.033 0.000 0.916 55 E HN 0.448 nan 8.360 nan 0.000 0.500 56 A N 2.137 124.978 122.820 0.035 0.000 2.745 56 A HA -0.229 4.048 4.320 -0.071 0.000 0.296 56 A C 0.007 177.630 177.584 0.064 0.000 1.500 56 A CA 0.531 52.591 52.037 0.039 0.000 0.766 56 A CB -1.257 17.755 19.000 0.020 0.000 1.030 56 A HN 0.131 nan 8.150 nan 0.000 0.489 57 R N 0.163 120.718 120.500 0.093 0.000 2.590 57 R HA 0.131 4.429 4.340 -0.071 0.000 0.274 57 R C 0.536 176.952 176.300 0.192 0.000 1.061 57 R CA -0.161 56.020 56.100 0.135 0.000 1.081 57 R CB 0.118 30.509 30.300 0.151 0.000 0.984 57 R HN 0.721 nan 8.270 nan 0.000 0.448 58 H N 1.920 121.032 119.070 0.071 0.000 3.232 58 H HA 0.208 4.721 4.556 -0.071 0.000 0.254 58 H C -0.889 174.509 175.328 0.116 0.000 1.213 58 H CA -0.361 55.720 56.048 0.054 0.000 1.503 58 H CB 0.185 29.953 29.762 0.011 0.000 1.563 58 H HN 0.046 nan 8.280 nan 0.000 0.490 59 V N 6.418 126.532 119.914 0.334 0.000 2.638 59 V HA 0.004 4.081 4.120 -0.071 0.000 0.306 59 V C -0.687 175.626 176.094 0.366 0.000 1.052 59 V CA -1.009 61.514 62.300 0.370 0.000 0.885 59 V CB 1.273 33.312 31.823 0.361 0.000 0.999 59 V HN 0.654 nan 8.190 nan 0.000 0.424 60 Y N 3.782 124.328 120.300 0.409 0.000 2.810 60 Y HA 0.335 4.842 4.550 -0.071 0.000 0.332 60 Y C 1.395 177.394 175.900 0.165 0.000 1.243 60 Y CA 1.931 60.165 58.100 0.224 0.000 1.537 60 Y CB 0.519 39.166 38.460 0.312 0.000 1.265 60 Y HN 1.063 nan 8.280 nan 0.000 0.572 61 G N 4.039 112.539 108.800 -0.501 0.000 2.234 61 G HA2 -0.306 3.611 3.960 -0.071 0.000 0.260 61 G HA3 -0.306 3.611 3.960 -0.071 0.000 0.260 61 G C 0.635 175.515 174.900 -0.033 0.000 0.987 61 G CA 0.623 45.572 45.100 -0.253 0.000 0.625 61 G HN 0.672 nan 8.290 nan 0.000 0.532 62 L N -0.086 121.147 121.223 0.017 0.000 2.577 62 L HA 0.294 4.591 4.340 -0.071 0.000 0.225 62 L C 2.124 179.004 176.870 0.017 0.000 1.053 62 L CA 1.516 56.392 54.840 0.060 0.000 0.866 62 L CB 0.513 42.654 42.059 0.137 0.000 1.132 62 L HN 0.458 nan 8.230 nan 0.000 0.486 63 T N -3.845 110.714 114.554 0.009 0.000 3.332 63 T HA 0.196 4.504 4.350 -0.071 0.000 0.304 63 T C 0.224 174.887 174.700 -0.061 0.000 0.971 63 T CA 0.086 62.179 62.100 -0.011 0.000 0.954 63 T CB 0.047 68.939 68.868 0.041 0.000 1.175 63 T HN 0.176 nan 8.240 nan 0.000 0.519 64 T N -2.021 112.436 114.554 -0.162 0.000 2.843 64 T HA 0.775 5.083 4.350 -0.071 0.000 0.302 64 T C 0.523 174.904 174.700 -0.533 0.000 1.232 64 T CA -0.296 61.665 62.100 -0.232 0.000 1.009 64 T CB 1.398 70.208 68.868 -0.097 0.000 1.254 64 T HN 0.303 nan 8.240 nan 0.000 0.504 65 G N -0.120 108.417 108.800 -0.437 0.000 2.553 65 G HA2 0.572 4.489 3.960 -0.071 0.000 0.278 65 G HA3 0.572 4.489 3.960 -0.071 0.000 0.278 65 G C -1.093 173.311 174.900 -0.827 0.000 1.349 65 G CA -0.800 43.962 45.100 -0.563 0.000 1.037 65 G HN 0.559 nan 8.290 nan 0.000 0.508 66 F N -0.854 119.051 119.950 -0.076 0.000 2.507 66 F HA 0.607 5.091 4.527 -0.071 0.000 0.327 66 F C 1.124 177.017 175.800 0.155 0.000 1.068 66 F CA 0.387 58.397 58.000 0.016 0.000 0.965 66 F CB 1.497 40.533 39.000 0.059 0.000 1.192 66 F HN 1.034 nan 8.300 nan 0.000 0.476 67 G N 2.176 111.272 108.800 0.492 0.000 2.574 67 G HA2 -0.285 3.632 3.960 -0.071 0.000 0.286 67 G HA3 -0.285 3.632 3.960 -0.071 0.000 0.286 67 G C -1.902 173.109 174.900 0.185 0.000 1.212 67 G CA -0.103 45.156 45.100 0.265 0.000 0.979 67 G HN 0.512 nan 8.290 nan 0.000 0.557 68 P HA 0.131 nan 4.420 nan 0.000 0.230 68 P C 1.730 179.066 177.300 0.060 0.000 1.158 68 P CA 0.811 63.956 63.100 0.074 0.000 0.769 68 P CB -0.077 31.653 31.700 0.050 0.000 0.807 69 L N -1.589 119.670 121.223 0.061 0.000 2.627 69 L HA 0.157 4.454 4.340 -0.071 0.000 0.233 69 L C 2.024 178.890 176.870 -0.007 0.000 1.144 69 L CA 0.133 54.984 54.840 0.018 0.000 0.892 69 L CB -0.698 41.363 42.059 0.003 0.000 1.039 69 L HN -0.041 nan 8.230 nan 0.000 0.442 70 A N 1.340 124.187 122.820 0.046 0.000 2.121 70 A HA -0.166 4.111 4.320 -0.071 0.000 0.218 70 A C 2.019 179.627 177.584 0.040 0.000 1.154 70 A CA 1.333 53.396 52.037 0.043 0.000 0.679 70 A CB -0.500 18.633 19.000 0.223 0.000 0.795 70 A HN 0.645 nan 8.150 nan 0.000 0.458 71 N N -0.404 118.316 118.700 0.032 0.000 2.550 71 N HA -0.064 4.633 4.740 -0.071 0.000 0.186 71 N C 0.069 175.571 175.510 -0.014 0.000 1.110 71 N CA 0.326 53.389 53.050 0.022 0.000 0.912 71 N CB -0.221 38.278 38.487 0.020 0.000 0.968 71 N HN 0.195 nan 8.380 nan 0.000 0.448 72 R N 1.047 121.526 120.500 -0.034 0.000 2.196 72 R HA 0.382 4.679 4.340 -0.071 0.000 0.340 72 R C -0.200 176.051 176.300 -0.081 0.000 1.043 72 R CA -0.273 55.795 56.100 -0.054 0.000 0.883 72 R CB 0.726 30.993 30.300 -0.056 0.000 1.078 72 R HN 0.156 nan 8.270 nan 0.000 0.462 73 L N 4.191 125.362 121.223 -0.087 0.000 2.397 73 L HA 0.363 4.661 4.340 -0.071 0.000 0.271 73 L C 0.077 176.891 176.870 -0.093 0.000 1.148 73 L CA -0.424 54.350 54.840 -0.110 0.000 0.825 73 L CB 0.601 42.573 42.059 -0.146 0.000 1.117 73 L HN 0.355 nan 8.230 nan 0.000 0.456 74 I N 1.507 122.020 120.570 -0.094 0.000 2.474 74 I HA 0.230 4.357 4.170 -0.071 0.000 0.294 74 I C 0.331 176.416 176.117 -0.054 0.000 1.005 74 I CA -0.270 60.985 61.300 -0.075 0.000 1.113 74 I CB 1.642 39.588 38.000 -0.090 0.000 1.289 74 I HN 0.511 nan 8.210 nan 0.000 0.436 75 S N 3.088 118.763 115.700 -0.041 0.000 2.580 75 S HA 0.361 4.789 4.470 -0.071 0.000 0.274 75 S C 1.492 176.079 174.600 -0.022 0.000 1.329 75 S CA 0.136 58.318 58.200 -0.030 0.000 1.036 75 S CB 1.225 64.410 63.200 -0.025 0.000 0.919 75 S HN 0.891 nan 8.310 nan 0.000 0.515 76 G N 3.027 111.818 108.800 -0.016 0.000 2.503 76 G HA2 -0.266 3.652 3.960 -0.071 0.000 0.221 76 G HA3 -0.266 3.652 3.960 -0.071 0.000 0.221 76 G C 1.264 176.158 174.900 -0.010 0.000 1.131 76 G CA 1.176 46.270 45.100 -0.010 0.000 0.756 76 G HN 0.903 nan 8.290 nan 0.000 0.572 77 E N 0.765 120.958 120.200 -0.011 0.000 2.409 77 E HA -0.072 4.236 4.350 -0.071 0.000 0.198 77 E C 1.002 177.598 176.600 -0.008 0.000 1.024 77 E CA 0.680 57.074 56.400 -0.010 0.000 0.861 77 E CB -0.307 29.387 29.700 -0.010 0.000 0.788 77 E HN 0.406 nan 8.360 nan 0.000 0.521 78 N N 0.666 119.361 118.700 -0.008 0.000 2.203 78 N HA 0.065 4.762 4.740 -0.071 0.000 0.207 78 N C 1.472 176.983 175.510 0.001 0.000 1.130 78 N CA 0.116 53.164 53.050 -0.004 0.000 0.861 78 N CB 0.991 39.473 38.487 -0.008 0.000 1.005 78 N HN 0.016 nan 8.380 nan 0.000 0.507 79 V N 1.169 121.083 119.914 0.000 0.000 2.427 79 V HA -0.164 3.913 4.120 -0.071 0.000 0.248 79 V C 2.413 178.520 176.094 0.021 0.000 1.051 79 V CA 1.309 63.616 62.300 0.011 0.000 1.048 79 V CB -0.220 31.610 31.823 0.012 0.000 0.666 79 V HN 0.223 nan 8.190 nan 0.000 0.456 80 R N 0.251 120.756 120.500 0.009 0.000 2.091 80 R HA -0.134 4.163 4.340 -0.071 0.000 0.238 80 R C 2.354 178.657 176.300 0.005 0.000 1.136 80 R CA 2.005 58.107 56.100 0.003 0.000 0.959 80 R CB -1.317 28.980 30.300 -0.005 0.000 0.856 80 R HN 0.514 nan 8.270 nan 0.000 0.437 81 T N 2.225 116.787 114.554 0.013 0.000 2.777 81 T HA -0.101 4.206 4.350 -0.071 0.000 0.266 81 T C 1.880 176.605 174.700 0.043 0.000 1.040 81 T CA 0.928 63.041 62.100 0.023 0.000 1.141 81 T CB -0.278 68.607 68.868 0.028 0.000 0.868 81 T HN 0.080 nan 8.240 nan 0.000 0.444 82 L N 1.518 122.776 121.223 0.059 0.000 1.971 82 L HA -0.180 4.118 4.340 -0.071 0.000 0.215 82 L C 2.423 179.409 176.870 0.193 0.000 1.072 82 L CA 1.888 56.802 54.840 0.123 0.000 0.758 82 L CB -0.724 41.379 42.059 0.073 0.000 0.889 82 L HN 0.255 nan 8.230 nan 0.000 0.433 83 Q N -0.798 119.077 119.800 0.126 0.000 2.167 83 Q HA -0.112 4.186 4.340 -0.071 0.000 0.202 83 Q C 2.210 178.167 176.000 -0.072 0.000 0.970 83 Q CA 1.254 57.097 55.803 0.067 0.000 0.855 83 Q CB -0.335 28.434 28.738 0.052 0.000 0.911 83 Q HN 0.719 nan 8.270 nan 0.000 0.438 84 A N 1.883 124.645 122.820 -0.096 0.000 1.898 84 A HA -0.181 4.096 4.320 -0.071 0.000 0.216 84 A C 1.764 179.099 177.584 -0.415 0.000 1.181 84 A CA 1.402 53.278 52.037 -0.268 0.000 0.620 84 A CB -0.347 18.533 19.000 -0.200 0.000 0.819 84 A HN 0.270 nan 8.150 nan 0.000 0.442 85 N N -0.250 118.377 118.700 -0.122 0.000 2.396 85 N HA -0.086 4.612 4.740 -0.071 0.000 0.180 85 N C 1.514 177.060 175.510 0.060 0.000 1.028 85 N CA 1.135 54.216 53.050 0.051 0.000 0.893 85 N CB -0.425 38.163 38.487 0.170 0.000 0.967 85 N HN 0.473 nan 8.380 nan 0.000 0.440 86 L N 0.774 121.953 121.223 -0.074 0.000 1.994 86 L HA -0.066 4.231 4.340 -0.071 0.000 0.208 86 L C 1.915 178.483 176.870 -0.504 0.000 1.071 86 L CA 1.432 56.054 54.840 -0.363 0.000 0.745 86 L CB -0.714 40.942 42.059 -0.673 0.000 0.892 86 L HN -0.132 nan 8.230 nan 0.000 0.431 87 V N -0.169 119.526 119.914 -0.366 0.000 2.407 87 V HA -0.338 3.740 4.120 -0.071 0.000 0.248 87 V C 2.405 178.356 176.094 -0.237 0.000 1.055 87 V CA 2.216 64.321 62.300 -0.324 0.000 1.049 87 V CB -1.019 30.638 31.823 -0.276 0.000 0.662 87 V HN 0.627 nan 8.190 nan 0.000 0.455 88 H N -0.381 118.580 119.070 -0.183 0.000 2.270 88 H HA -0.192 4.322 4.556 -0.071 0.000 0.299 88 H C 2.388 177.650 175.328 -0.109 0.000 1.077 88 H CA 1.736 57.712 56.048 -0.121 0.000 1.294 88 H CB -0.250 29.491 29.762 -0.036 0.000 1.371 88 H HN 0.666 nan 8.280 nan 0.000 0.491 89 H N 0.652 119.751 119.070 0.048 0.000 2.456 89 H HA -0.074 4.439 4.556 -0.071 0.000 0.296 89 H C 1.916 177.217 175.328 -0.045 0.000 1.079 89 H CA 0.981 57.027 56.048 -0.003 0.000 1.322 89 H CB -0.323 29.441 29.762 0.003 0.000 1.388 89 H HN 0.329 nan 8.280 nan 0.000 0.538 90 L N 1.001 121.919 121.223 -0.509 0.000 2.395 90 L HA 0.095 4.392 4.340 -0.071 0.000 0.218 90 L C 1.949 178.678 176.870 -0.235 0.000 1.130 90 L CA 0.385 55.002 54.840 -0.371 0.000 0.826 90 L CB -0.102 41.661 42.059 -0.493 0.000 0.941 90 L HN 0.292 nan 8.230 nan 0.000 0.451 91 A N -0.065 122.580 122.820 -0.291 0.000 3.033 91 A HA 0.138 4.416 4.320 -0.071 0.000 0.250 91 A C 1.295 178.809 177.584 -0.117 0.000 1.633 91 A CA 0.292 52.012 52.037 -0.528 0.000 1.290 91 A CB -0.630 18.029 19.000 -0.569 0.000 1.048 91 A HN 0.360 nan 8.150 nan 0.000 0.648 92 S N -0.732 115.009 115.700 0.068 0.000 2.575 92 S HA 0.365 4.792 4.470 -0.071 0.000 0.237 92 S C 0.892 175.599 174.600 0.179 0.000 0.975 92 S CA 0.076 58.350 58.200 0.123 0.000 0.960 92 S CB 0.028 63.272 63.200 0.072 0.000 0.822 92 S HN 0.727 nan 8.310 nan 0.000 0.472 93 G N 1.493 110.522 108.800 0.382 0.000 2.544 93 G HA2 0.499 4.416 3.960 -0.071 0.000 0.242 93 G HA3 0.499 4.416 3.960 -0.071 0.000 0.242 93 G C -0.144 174.737 174.900 -0.033 0.000 1.247 93 G CA 0.107 45.263 45.100 0.093 0.000 0.840 93 G HN 1.035 nan 8.290 nan 0.000 0.578 94 V N -1.040 118.843 119.914 -0.051 0.000 3.182 94 V HA 1.031 5.108 4.120 -0.071 0.000 0.308 94 V C 0.540 176.601 176.094 -0.055 0.000 1.240 94 V CA -0.092 62.178 62.300 -0.049 0.000 1.063 94 V CB 1.117 32.931 31.823 -0.014 0.000 1.076 94 V HN 2.572 nan 8.190 nan 0.000 0.446 95 G N 0.513 109.288 108.800 -0.042 0.000 2.707 95 G HA2 0.070 3.987 3.960 -0.071 0.000 0.686 95 G HA3 0.070 3.987 3.960 -0.071 0.000 0.686 95 G C -2.728 172.148 174.900 -0.039 0.000 1.315 95 G CA -0.300 44.780 45.100 -0.033 0.000 0.832 95 G HN 1.132 nan 8.290 nan 0.000 0.573 96 P HA 0.391 nan 4.420 nan 0.000 0.267 96 P C 0.877 178.160 177.300 -0.029 0.000 1.200 96 P CA 0.475 63.564 63.100 -0.019 0.000 0.772 96 P CB 0.755 32.453 31.700 -0.003 0.000 0.855 97 V N 1.369 121.267 119.914 -0.027 0.000 3.051 97 V HA 0.175 4.252 4.120 -0.071 0.000 0.306 97 V C 0.669 176.758 176.094 -0.009 0.000 1.083 97 V CA -0.694 61.585 62.300 -0.035 0.000 1.104 97 V CB -0.463 31.343 31.823 -0.029 0.000 1.027 97 V HN 0.297 nan 8.190 nan 0.000 0.483 98 L N 2.594 123.808 121.223 -0.015 0.000 2.461 98 L HA 0.265 4.562 4.340 -0.071 0.000 0.272 98 L C 0.594 177.486 176.870 0.037 0.000 1.197 98 L CA -0.272 54.572 54.840 0.006 0.000 0.836 98 L CB 0.215 42.269 42.059 -0.010 0.000 1.105 98 L HN 1.023 nan 8.230 nan 0.000 0.477 99 D N 0.103 120.541 120.400 0.063 0.000 2.368 99 D HA -0.119 4.478 4.640 -0.071 0.000 0.240 99 D C 0.727 177.122 176.300 0.157 0.000 1.169 99 D CA -0.413 53.658 54.000 0.118 0.000 0.906 99 D CB 0.506 41.382 40.800 0.127 0.000 1.187 99 D HN 0.553 nan 8.370 nan 0.000 0.435 100 W N 1.303 122.609 121.300 0.010 0.000 2.290 100 W HA -0.320 4.296 4.660 -0.073 0.000 0.328 100 W C 2.195 178.712 176.519 -0.004 0.000 1.272 100 W CA 2.984 60.334 57.345 0.009 0.000 1.262 100 W CB -0.867 28.601 29.460 0.013 0.000 1.151 100 W HN 0.454 nan 8.180 nan 0.000 0.473 101 T N -0.351 114.336 114.554 0.221 0.000 2.708 101 T HA -0.214 4.093 4.350 -0.071 0.000 0.266 101 T C 1.561 176.193 174.700 -0.112 0.000 1.037 101 T CA 2.366 64.449 62.100 -0.027 0.000 1.146 101 T CB -0.921 68.024 68.868 0.129 0.000 0.865 101 T HN 0.195 nan 8.240 nan 0.000 0.435 102 T N 1.921 116.466 114.554 -0.015 0.000 2.821 102 T HA 0.037 4.344 4.350 -0.071 0.000 0.267 102 T C 2.415 177.075 174.700 -0.068 0.000 1.046 102 T CA 1.050 63.137 62.100 -0.021 0.000 1.139 102 T CB -0.491 68.392 68.868 0.026 0.000 0.871 102 T HN 0.427 nan 8.240 nan 0.000 0.454 103 A N 1.717 124.484 122.820 -0.087 0.000 1.933 103 A HA -0.082 4.196 4.320 -0.071 0.000 0.218 103 A C 2.370 179.856 177.584 -0.164 0.000 1.175 103 A CA 1.280 53.252 52.037 -0.108 0.000 0.628 103 A CB -0.425 18.516 19.000 -0.098 0.000 0.814 103 A HN 0.394 nan 8.150 nan 0.000 0.444 104 R N -0.589 119.750 120.500 -0.269 0.000 2.115 104 R HA 0.032 4.330 4.340 -0.071 0.000 0.226 104 R C 2.396 178.569 176.300 -0.212 0.000 1.100 104 R CA 0.986 56.901 56.100 -0.308 0.000 0.980 104 R CB -0.374 29.601 30.300 -0.542 0.000 0.875 104 R HN 0.499 nan 8.270 nan 0.000 0.445 105 A N 1.131 123.844 122.820 -0.178 0.000 1.933 105 A HA -0.181 4.096 4.320 -0.071 0.000 0.218 105 A C 2.104 179.636 177.584 -0.087 0.000 1.175 105 A CA 1.275 53.240 52.037 -0.120 0.000 0.628 105 A CB -0.429 18.524 19.000 -0.078 0.000 0.814 105 A HN 0.324 nan 8.150 nan 0.000 0.444 106 M N -0.310 119.242 119.600 -0.080 0.000 2.132 106 M HA -0.108 4.330 4.480 -0.071 0.000 0.263 106 M C 1.849 178.111 176.300 -0.063 0.000 1.065 106 M CA 1.876 57.141 55.300 -0.059 0.000 1.122 106 M CB -0.206 32.363 32.600 -0.052 0.000 1.365 106 M HN 0.186 nan 8.290 nan 0.000 0.411 107 V N 1.105 120.970 119.914 -0.081 0.000 2.343 107 V HA -0.271 3.806 4.120 -0.071 0.000 0.247 107 V C 2.419 178.472 176.094 -0.068 0.000 1.051 107 V CA 1.704 63.960 62.300 -0.073 0.000 1.036 107 V CB -0.938 30.833 31.823 -0.087 0.000 0.654 107 V HN 0.584 nan 8.190 nan 0.000 0.451 108 L N 0.976 122.149 121.223 -0.083 0.000 2.046 108 L HA -0.070 4.227 4.340 -0.071 0.000 0.208 108 L C 2.458 179.291 176.870 -0.062 0.000 1.077 108 L CA 2.355 57.149 54.840 -0.076 0.000 0.747 108 L CB -1.026 40.978 42.059 -0.092 0.000 0.896 108 L HN 0.213 nan 8.230 nan 0.000 0.432 109 A N -0.348 122.437 122.820 -0.058 0.000 1.908 109 A HA -0.285 3.992 4.320 -0.071 0.000 0.218 109 A C 2.477 180.037 177.584 -0.039 0.000 1.181 109 A CA 1.983 53.991 52.037 -0.049 0.000 0.627 109 A CB -0.643 18.332 19.000 -0.042 0.000 0.818 109 A HN 0.491 nan 8.150 nan 0.000 0.445 110 R N -0.720 119.759 120.500 -0.035 0.000 2.075 110 R HA -0.081 4.217 4.340 -0.071 0.000 0.232 110 R C 1.957 178.243 176.300 -0.023 0.000 1.126 110 R CA 1.555 57.641 56.100 -0.024 0.000 0.963 110 R CB -0.693 29.593 30.300 -0.024 0.000 0.858 110 R HN 0.439 nan 8.270 nan 0.000 0.435 111 L N -0.066 121.138 121.223 -0.031 0.000 2.012 111 L HA -0.122 4.175 4.340 -0.071 0.000 0.210 111 L C 1.949 178.801 176.870 -0.029 0.000 1.073 111 L CA 1.689 56.512 54.840 -0.029 0.000 0.748 111 L CB -0.576 41.461 42.059 -0.037 0.000 0.891 111 L HN 0.083 nan 8.230 nan 0.000 0.431 112 V N -1.090 118.802 119.914 -0.037 0.000 2.407 112 V HA -0.273 3.804 4.120 -0.071 0.000 0.248 112 V C 2.763 178.840 176.094 -0.029 0.000 1.055 112 V CA 1.789 64.065 62.300 -0.040 0.000 1.049 112 V CB -0.810 30.977 31.823 -0.059 0.000 0.662 112 V HN 0.640 nan 8.190 nan 0.000 0.455 113 S N -0.303 115.382 115.700 -0.025 0.000 2.356 113 S HA -0.146 4.281 4.470 -0.071 0.000 0.223 113 S C 1.933 176.531 174.600 -0.003 0.000 1.032 113 S CA 1.692 59.882 58.200 -0.015 0.000 1.005 113 S CB -0.347 62.846 63.200 -0.011 0.000 0.867 113 S HN 0.516 nan 8.310 nan 0.000 0.449 114 I N 1.750 122.319 120.570 -0.000 0.000 2.264 114 I HA -0.181 3.947 4.170 -0.071 0.000 0.248 114 I C 2.695 178.815 176.117 0.006 0.000 1.111 114 I CA 1.096 62.402 61.300 0.009 0.000 1.382 114 I CB -0.479 37.523 38.000 0.004 0.000 1.060 114 I HN 0.379 nan 8.210 nan 0.000 0.418 115 A N 0.052 122.870 122.820 -0.004 0.000 2.076 115 A HA -0.211 4.066 4.320 -0.071 0.000 0.220 115 A C 2.102 179.688 177.584 0.002 0.000 1.160 115 A CA 1.226 53.260 52.037 -0.005 0.000 0.653 115 A CB -0.345 18.648 19.000 -0.011 0.000 0.801 115 A HN 0.410 nan 8.150 nan 0.000 0.455 116 Q N -1.108 118.695 119.800 0.004 0.000 2.436 116 Q HA 0.064 4.362 4.340 -0.071 0.000 0.209 116 Q C 1.228 177.238 176.000 0.016 0.000 0.965 116 Q CA 0.797 56.605 55.803 0.008 0.000 0.910 116 Q CB -0.667 28.073 28.738 0.004 0.000 0.980 116 Q HN 1.065 nan 8.270 nan 0.000 0.491 117 G N 0.428 109.242 108.800 0.022 0.000 2.248 117 G HA2 -0.187 3.730 3.960 -0.071 0.000 0.263 117 G HA3 -0.187 3.730 3.960 -0.071 0.000 0.263 117 G C 0.444 175.379 174.900 0.059 0.000 1.082 117 G CA 0.421 45.541 45.100 0.032 0.000 0.863 117 G HN 0.532 nan 8.290 nan 0.000 0.495 118 A N -1.079 121.787 122.820 0.077 0.000 2.628 118 A HA 0.713 4.990 4.320 -0.071 0.000 0.267 118 A C 1.671 179.376 177.584 0.202 0.000 1.159 118 A CA 1.369 53.477 52.037 0.119 0.000 0.972 118 A CB 0.281 19.310 19.000 0.048 0.000 1.211 118 A HN 0.792 nan 8.150 nan 0.000 0.576 119 S N -1.058 114.756 115.700 0.191 0.000 2.502 119 S HA 0.363 4.790 4.470 -0.071 0.000 0.215 119 S C 1.538 176.323 174.600 0.308 0.000 1.009 119 S CA 0.717 59.059 58.200 0.236 0.000 0.908 119 S CB 0.404 63.673 63.200 0.115 0.000 0.801 119 S HN 1.671 nan 8.310 nan 0.000 0.505 120 G N 1.871 110.771 108.800 0.166 0.000 2.162 120 G HA2 -0.234 3.683 3.960 -0.071 0.000 0.260 120 G HA3 -0.234 3.683 3.960 -0.071 0.000 0.260 120 G C 0.225 175.108 174.900 -0.028 0.000 0.976 120 G CA 0.031 45.112 45.100 -0.032 0.000 0.655 120 G HN 0.891 nan 8.290 nan 0.000 0.533 121 A N 0.411 123.236 122.820 0.008 0.000 2.511 121 A HA 0.616 4.893 4.320 -0.071 0.000 0.242 121 A C 1.161 178.698 177.584 -0.078 0.000 1.069 121 A CA 1.025 53.049 52.037 -0.021 0.000 0.763 121 A CB 0.205 19.201 19.000 -0.007 0.000 1.001 121 A HN 2.023 nan 8.150 nan 0.000 0.498 122 S N 1.687 117.306 115.700 -0.136 0.000 2.614 122 S HA 0.184 4.611 4.470 -0.071 0.000 0.265 122 S C 0.753 175.245 174.600 -0.181 0.000 1.303 122 S CA 0.094 58.138 58.200 -0.260 0.000 1.000 122 S CB 0.680 63.532 63.200 -0.581 0.000 0.935 122 S HN 0.718 nan 8.310 nan 0.000 0.551 123 E N 1.330 121.421 120.200 -0.182 0.000 2.118 123 E HA -0.116 4.191 4.350 -0.071 0.000 0.195 123 E C 2.130 178.679 176.600 -0.085 0.000 0.992 123 E CA 1.212 57.548 56.400 -0.106 0.000 0.804 123 E CB -0.754 28.895 29.700 -0.085 0.000 0.741 123 E HN 0.899 nan 8.360 nan 0.000 0.458 124 G N 0.535 109.272 108.800 -0.105 0.000 2.402 124 G HA2 -0.252 3.666 3.960 -0.071 0.000 0.216 124 G HA3 -0.252 3.666 3.960 -0.071 0.000 0.216 124 G C 1.629 176.506 174.900 -0.039 0.000 1.162 124 G CA 1.243 46.311 45.100 -0.053 0.000 0.777 124 G HN 0.183 nan 8.290 nan 0.000 0.539 125 T N 1.411 115.932 114.554 -0.055 0.000 2.708 125 T HA -0.070 4.238 4.350 -0.071 0.000 0.266 125 T C 2.377 177.062 174.700 -0.026 0.000 1.037 125 T CA 1.041 63.123 62.100 -0.030 0.000 1.146 125 T CB -0.165 68.683 68.868 -0.033 0.000 0.865 125 T HN 0.247 nan 8.240 nan 0.000 0.435 126 I N 1.264 121.812 120.570 -0.036 0.000 2.226 126 I HA -0.172 3.955 4.170 -0.071 0.000 0.245 126 I C 2.914 179.018 176.117 -0.023 0.000 1.100 126 I CA 1.078 62.361 61.300 -0.028 0.000 1.374 126 I CB -0.480 37.501 38.000 -0.033 0.000 1.057 126 I HN 0.194 nan 8.210 nan 0.000 0.413 127 A N 0.723 123.529 122.820 -0.024 0.000 1.972 127 A HA -0.176 4.101 4.320 -0.071 0.000 0.219 127 A C 2.323 179.902 177.584 -0.008 0.000 1.169 127 A CA 1.265 53.292 52.037 -0.016 0.000 0.635 127 A CB -0.389 18.601 19.000 -0.016 0.000 0.810 127 A HN 0.249 nan 8.150 nan 0.000 0.446 128 R N -0.208 120.290 120.500 -0.004 0.000 2.092 128 R HA -0.014 4.284 4.340 -0.071 0.000 0.231 128 R C 2.003 178.309 176.300 0.010 0.000 1.119 128 R CA 1.114 57.220 56.100 0.010 0.000 0.970 128 R CB -0.957 29.354 30.300 0.018 0.000 0.864 128 R HN 0.602 nan 8.270 nan 0.000 0.440 129 L N 0.064 121.285 121.223 -0.003 0.000 2.072 129 L HA -0.080 4.217 4.340 -0.071 0.000 0.205 129 L C 2.463 179.322 176.870 -0.018 0.000 1.079 129 L CA 1.070 55.903 54.840 -0.012 0.000 0.752 129 L CB -0.448 41.599 42.059 -0.021 0.000 0.906 129 L HN 0.063 nan 8.230 nan 0.000 0.436 130 I N 0.025 120.585 120.570 -0.018 0.000 2.179 130 I HA -0.285 3.842 4.170 -0.071 0.000 0.242 130 I C 2.111 178.219 176.117 -0.016 0.000 1.088 130 I CA 1.229 62.517 61.300 -0.021 0.000 1.357 130 I CB -0.393 37.596 38.000 -0.018 0.000 1.051 130 I HN 0.247 nan 8.210 nan 0.000 0.409 131 D N 0.752 121.147 120.400 -0.009 0.000 2.149 131 D HA -0.182 4.415 4.640 -0.071 0.000 0.198 131 D C 2.097 178.395 176.300 -0.003 0.000 0.990 131 D CA 0.962 54.959 54.000 -0.006 0.000 0.839 131 D CB -0.292 40.506 40.800 -0.003 0.000 0.948 131 D HN 0.168 nan 8.370 nan 0.000 0.460 132 L N 0.585 121.812 121.223 0.005 0.000 2.027 132 L HA -0.099 4.198 4.340 -0.071 0.000 0.206 132 L C 2.063 178.920 176.870 -0.023 0.000 1.074 132 L CA 1.310 56.160 54.840 0.016 0.000 0.745 132 L CB -0.812 41.273 42.059 0.043 0.000 0.898 132 L HN 0.096 nan 8.230 nan 0.000 0.433 133 L N 0.165 121.361 121.223 -0.045 0.000 2.141 133 L HA -0.189 4.109 4.340 -0.071 0.000 0.209 133 L C 1.862 178.704 176.870 -0.046 0.000 1.094 133 L CA 0.849 55.643 54.840 -0.077 0.000 0.763 133 L CB -0.536 41.476 42.059 -0.077 0.000 0.908 133 L HN 0.362 nan 8.230 nan 0.000 0.437 134 N N -0.428 118.260 118.700 -0.020 0.000 2.398 134 N HA -0.011 4.687 4.740 -0.071 0.000 0.188 134 N C 0.848 176.370 175.510 0.020 0.000 1.122 134 N CA 0.338 53.388 53.050 -0.000 0.000 0.866 134 N CB 0.168 38.653 38.487 -0.003 0.000 0.970 134 N HN 0.339 nan 8.380 nan 0.000 0.462 135 S N -0.100 115.614 115.700 0.023 0.000 2.694 135 S HA 0.310 4.738 4.470 -0.071 0.000 0.278 135 S C 0.748 175.422 174.600 0.124 0.000 1.152 135 S CA -0.474 57.754 58.200 0.046 0.000 1.010 135 S CB 1.486 64.697 63.200 0.018 0.000 1.104 135 S HN -0.095 nan 8.310 nan 0.000 0.547 136 E N 0.032 120.331 120.200 0.165 0.000 2.465 136 E HA 0.363 4.671 4.350 -0.071 0.000 0.195 136 E C -0.142 176.767 176.600 0.514 0.000 1.028 136 E CA -0.013 56.580 56.400 0.321 0.000 0.899 136 E CB -0.165 29.629 29.700 0.156 0.000 1.032 136 E HN 0.506 nan 8.360 nan 0.000 0.468 137 L N -0.240 121.192 121.223 0.349 0.000 2.335 137 L HA 0.774 5.072 4.340 -0.071 0.000 0.268 137 L C -0.007 176.981 176.870 0.197 0.000 1.016 137 L CA -1.119 53.956 54.840 0.392 0.000 0.805 137 L CB 1.501 43.672 42.059 0.187 0.000 1.311 137 L HN -0.177 nan 8.230 nan 0.000 0.456 138 A N 0.719 123.680 122.820 0.236 0.000 2.549 138 A HA 0.809 5.087 4.320 -0.071 0.000 0.297 138 A C -2.829 174.827 177.584 0.121 0.000 1.061 138 A CA -1.371 50.659 52.037 -0.012 0.000 0.690 138 A CB 1.885 20.698 19.000 -0.312 0.000 1.287 138 A HN 0.368 nan 8.150 nan 0.000 0.402 139 P HA 0.401 nan 4.420 nan 0.000 0.275 139 P C -0.358 176.846 177.300 -0.160 0.000 1.228 139 P CA 0.074 63.011 63.100 -0.272 0.000 0.786 139 P CB 1.338 32.885 31.700 -0.254 0.000 0.927 140 A N 3.289 125.994 122.820 -0.192 0.000 2.279 140 A HA 0.479 4.756 4.320 -0.071 0.000 0.306 140 A C -0.293 177.221 177.584 -0.116 0.000 1.300 140 A CA -0.413 51.568 52.037 -0.094 0.000 0.925 140 A CB -0.120 18.844 19.000 -0.060 0.000 1.152 140 A HN 0.367 nan 8.150 nan 0.000 0.544 141 V N 6.139 125.991 119.914 -0.103 0.000 2.531 141 V HA 0.398 4.475 4.120 -0.071 0.000 0.301 141 V C -2.234 173.758 176.094 -0.170 0.000 1.034 141 V CA -1.677 60.541 62.300 -0.137 0.000 0.865 141 V CB 2.162 33.934 31.823 -0.085 0.000 0.995 141 V HN 0.845 nan 8.190 nan 0.000 0.424 142 P HA 0.058 nan 4.420 nan 0.000 0.266 142 P C 0.746 177.965 177.300 -0.136 0.000 1.195 142 P CA 0.155 63.115 63.100 -0.232 0.000 0.768 142 P CB 0.996 32.486 31.700 -0.349 0.000 0.838 143 S N 2.802 118.455 115.700 -0.078 0.000 2.461 143 S HA 0.004 4.432 4.470 -0.071 0.000 0.228 143 S C 0.851 175.435 174.600 -0.027 0.000 1.005 143 S CA 0.169 58.345 58.200 -0.040 0.000 0.942 143 S CB -0.114 63.074 63.200 -0.019 0.000 0.776 143 S HN 0.423 nan 8.310 nan 0.000 0.514 144 R N -0.344 120.136 120.500 -0.033 0.000 2.787 144 R HA 0.634 4.931 4.340 -0.071 0.000 0.271 144 R C 0.734 177.030 176.300 -0.006 0.000 0.993 144 R CA -0.088 56.004 56.100 -0.013 0.000 0.993 144 R CB 1.512 31.806 30.300 -0.010 0.000 1.155 144 R HN 0.306 nan 8.270 nan 0.000 0.486 145 G N 0.080 108.886 108.800 0.011 0.000 2.551 145 G HA2 -0.211 3.706 3.960 -0.071 0.000 0.186 145 G HA3 -0.211 3.706 3.960 -0.071 0.000 0.186 145 G C 0.017 174.933 174.900 0.028 0.000 1.002 145 G CA -0.028 45.087 45.100 0.025 0.000 0.723 145 G HN 0.608 nan 8.290 nan 0.000 0.481 146 T N 0.542 115.110 114.554 0.023 0.000 2.859 146 T HA 0.543 4.850 4.350 -0.071 0.000 0.281 146 T C 1.391 176.108 174.700 0.028 0.000 1.005 146 T CA 0.417 62.530 62.100 0.022 0.000 1.025 146 T CB 1.687 70.566 68.868 0.018 0.000 0.977 146 T HN 1.155 nan 8.240 nan 0.000 0.458 147 V N 1.477 121.409 119.914 0.030 0.000 3.542 147 V HA 0.613 4.690 4.120 -0.071 0.000 0.296 147 V C 1.168 177.292 176.094 0.050 0.000 1.364 147 V CA 0.260 62.584 62.300 0.041 0.000 1.118 147 V CB -1.329 30.520 31.823 0.042 0.000 0.972 147 V HN 1.390 nan 8.190 nan 0.000 0.430 153 L N -0.311 120.882 121.223 -0.049 0.000 2.012 153 L HA -0.146 4.151 4.340 -0.071 0.000 0.210 153 L C 2.383 179.206 176.870 -0.078 0.000 1.073 153 L CA 1.458 56.248 54.840 -0.084 0.000 0.748 153 L CB -0.641 41.347 42.059 -0.118 0.000 0.891 153 L HN 0.098 nan 8.230 nan 0.000 0.431 154 T N 0.438 114.969 114.554 -0.038 0.000 2.643 154 T HA -0.085 4.222 4.350 -0.071 0.000 0.264 154 T C -0.455 174.307 174.700 0.103 0.000 1.045 154 T CA 1.748 63.855 62.100 0.012 0.000 1.155 154 T CB -1.114 67.788 68.868 0.057 0.000 0.863 154 T HN 0.301 nan 8.240 nan 0.000 0.420 155 P HA 0.010 nan 4.420 nan 0.000 0.218 155 P C 1.541 178.868 177.300 0.046 0.000 1.149 155 P CA 0.974 64.118 63.100 0.074 0.000 0.817 155 P CB -0.223 31.485 31.700 0.013 0.000 0.785 156 L N -0.790 120.432 121.223 -0.002 0.000 2.156 156 L HA -0.056 4.242 4.340 -0.071 0.000 0.208 156 L C 2.733 179.568 176.870 -0.058 0.000 1.095 156 L CA 1.186 56.007 54.840 -0.032 0.000 0.770 156 L CB -0.947 41.087 42.059 -0.042 0.000 0.914 156 L HN -0.058 nan 8.230 nan 0.000 0.439 157 A N -0.954 121.811 122.820 -0.092 0.000 1.930 157 A HA -0.206 4.071 4.320 -0.071 0.000 0.217 157 A C 2.114 179.596 177.584 -0.170 0.000 1.175 157 A CA 1.170 53.104 52.037 -0.173 0.000 0.627 157 A CB -0.674 18.166 19.000 -0.267 0.000 0.815 157 A HN 0.392 nan 8.150 nan 0.000 0.443 158 H N -1.144 117.873 119.070 -0.090 0.000 2.421 158 H HA -0.094 4.420 4.556 -0.071 0.000 0.298 158 H C 2.078 177.338 175.328 -0.113 0.000 1.087 158 H CA 1.728 57.722 56.048 -0.088 0.000 1.330 158 H CB -0.234 29.480 29.762 -0.080 0.000 1.388 158 H HN 0.594 nan 8.280 nan 0.000 0.526 159 M N 0.560 120.161 119.600 0.002 0.000 2.086 159 M HA -0.152 4.285 4.480 -0.071 0.000 0.261 159 M C 2.125 178.378 176.300 -0.078 0.000 1.067 159 M CA 1.309 56.570 55.300 -0.064 0.000 1.116 159 M CB -0.132 32.436 32.600 -0.054 0.000 1.348 159 M HN -0.006 nan 8.290 nan 0.000 0.407 160 V N 1.410 121.283 119.914 -0.069 0.000 2.287 160 V HA -0.317 3.760 4.120 -0.071 0.000 0.248 160 V C 2.465 178.523 176.094 -0.059 0.000 1.053 160 V CA 1.949 64.211 62.300 -0.064 0.000 1.027 160 V CB -0.821 30.952 31.823 -0.083 0.000 0.646 160 V HN 0.551 nan 8.190 nan 0.000 0.447 161 L N -0.861 120.319 121.223 -0.071 0.000 2.042 161 L HA -0.242 4.055 4.340 -0.071 0.000 0.210 161 L C 2.672 179.510 176.870 -0.055 0.000 1.076 161 L CA 1.729 56.540 54.840 -0.048 0.000 0.749 161 L CB -0.813 41.217 42.059 -0.047 0.000 0.893 161 L HN 0.411 nan 8.230 nan 0.000 0.432 162 C N -0.064 119.159 119.300 -0.129 0.000 2.413 162 C HA -0.165 4.252 4.460 -0.071 0.000 0.277 162 C C 2.649 177.549 174.990 -0.149 0.000 1.228 162 C CA 0.478 59.312 59.018 -0.306 0.000 1.731 162 C CB -0.893 26.503 27.740 -0.573 0.000 2.042 162 C HN 0.442 nan 8.230 nan 0.000 0.468 163 L N 0.390 121.587 121.223 -0.042 0.000 2.450 163 L HA -0.163 4.134 4.340 -0.071 0.000 0.224 163 L C 2.318 179.262 176.870 0.124 0.000 1.149 163 L CA 1.207 56.123 54.840 0.126 0.000 0.816 163 L CB -0.664 41.435 42.059 0.066 0.000 0.932 163 L HN 0.555 nan 8.230 nan 0.000 0.449 164 Q N -0.459 119.385 119.800 0.074 0.000 2.319 164 Q HA 0.148 4.445 4.340 -0.071 0.000 0.202 164 Q C 1.333 177.388 176.000 0.093 0.000 0.896 164 Q CA 0.479 56.322 55.803 0.066 0.000 0.942 164 Q CB 0.786 29.543 28.738 0.032 0.000 1.083 164 Q HN 0.526 nan 8.270 nan 0.000 0.510 165 G N 1.834 110.722 108.800 0.147 0.000 2.143 165 G HA2 -0.306 3.611 3.960 -0.071 0.000 0.249 165 G HA3 -0.306 3.611 3.960 -0.071 0.000 0.249 165 G C 0.533 175.501 174.900 0.113 0.000 0.981 165 G CA 0.071 45.276 45.100 0.176 0.000 0.665 165 G HN 0.309 nan 8.290 nan 0.000 0.528 166 R N 0.033 120.574 120.500 0.069 0.000 2.507 166 R HA 0.470 4.767 4.340 -0.071 0.000 0.298 166 R C 0.977 177.290 176.300 0.022 0.000 0.999 166 R CA 0.490 56.617 56.100 0.045 0.000 1.082 166 R CB 0.854 31.179 30.300 0.041 0.000 1.246 166 R HN 0.532 nan 8.270 nan 0.000 0.553 167 G N -0.285 108.514 108.800 -0.002 0.000 2.704 167 G HA2 0.228 4.145 3.960 -0.071 0.000 0.293 167 G HA3 0.228 4.145 3.960 -0.071 0.000 0.293 167 G C -1.455 173.391 174.900 -0.091 0.000 1.421 167 G CA -0.671 44.399 45.100 -0.049 0.000 0.870 167 G HN -0.127 nan 8.290 nan 0.000 0.492 168 D N -0.507 119.852 120.400 -0.068 0.000 2.361 168 D HA 0.554 5.152 4.640 -0.071 0.000 0.239 168 D C -0.444 175.758 176.300 -0.162 0.000 1.200 168 D CA 0.602 54.595 54.000 -0.011 0.000 0.915 168 D CB 0.767 41.580 40.800 0.022 0.000 1.170 168 D HN 0.109 nan 8.370 nan 0.000 0.444 169 F N -0.745 119.231 119.950 0.043 0.000 2.631 169 F HA 0.536 5.020 4.527 -0.071 0.000 0.328 169 F C -0.255 175.593 175.800 0.080 0.000 1.067 169 F CA -0.888 57.146 58.000 0.057 0.000 0.969 169 F CB 1.227 40.261 39.000 0.057 0.000 1.332 169 F HN -0.062 nan 8.300 nan 0.000 0.490 170 L N 1.475 122.905 121.223 0.345 0.000 2.381 170 L HA 0.432 4.730 4.340 -0.071 0.000 0.268 170 L C -1.068 176.032 176.870 0.383 0.000 0.997 170 L CA -1.041 53.977 54.840 0.297 0.000 0.818 170 L CB 1.938 44.170 42.059 0.290 0.000 1.310 170 L HN 0.590 nan 8.230 nan 0.000 0.416 171 D N 1.172 121.693 120.400 0.201 0.000 2.466 171 D HA 0.226 4.823 4.640 -0.071 0.000 0.262 171 D C 0.816 176.944 176.300 -0.286 0.000 1.177 171 D CA -0.605 53.432 54.000 0.062 0.000 1.035 171 D CB 0.867 41.659 40.800 -0.012 0.000 1.105 171 D HN 0.335 nan 8.370 nan 0.000 0.551 172 R N -0.657 119.406 120.500 -0.729 0.000 2.139 172 R HA -0.115 4.183 4.340 -0.071 0.000 0.243 172 R C 0.582 176.541 176.300 -0.568 0.000 1.145 172 R CA 1.510 56.860 56.100 -1.250 0.000 0.976 172 R CB -0.163 29.525 30.300 -1.019 0.000 0.866 172 R HN 0.526 nan 8.270 nan 0.000 0.449 173 D N -1.239 118.983 120.400 -0.298 0.000 2.340 173 D HA 0.059 4.656 4.640 -0.071 0.000 0.220 173 D C 1.164 177.424 176.300 -0.066 0.000 1.039 173 D CA 0.934 54.844 54.000 -0.150 0.000 0.866 173 D CB 0.727 41.464 40.800 -0.105 0.000 0.913 173 D HN 0.452 nan 8.370 nan 0.000 0.523 174 G N 1.446 110.225 108.800 -0.036 0.000 2.176 174 G HA2 -0.282 3.635 3.960 -0.071 0.000 0.253 174 G HA3 -0.282 3.635 3.960 -0.071 0.000 0.253 174 G C 0.668 175.594 174.900 0.043 0.000 0.979 174 G CA 0.520 45.645 45.100 0.041 0.000 0.641 174 G HN 0.440 nan 8.290 nan 0.000 0.530 175 T N -0.492 114.075 114.554 0.022 0.000 2.870 175 T HA 0.577 4.884 4.350 -0.071 0.000 0.300 175 T C 0.513 175.249 174.700 0.060 0.000 0.989 175 T CA -0.180 61.938 62.100 0.029 0.000 1.139 175 T CB 1.216 70.091 68.868 0.011 0.000 0.920 175 T HN 0.521 nan 8.240 nan 0.000 0.537 176 R N 2.300 122.835 120.500 0.059 0.000 2.357 176 R HA 0.596 4.893 4.340 -0.071 0.000 0.296 176 R C -0.358 175.993 176.300 0.086 0.000 1.052 176 R CA -0.663 55.485 56.100 0.080 0.000 0.988 176 R CB 0.826 31.162 30.300 0.060 0.000 1.025 176 R HN 0.602 nan 8.270 nan 0.000 0.469 177 L N 2.076 123.376 121.223 0.128 0.000 2.354 177 L HA 0.340 4.637 4.340 -0.071 0.000 0.269 177 L C -0.169 176.799 176.870 0.164 0.000 1.005 177 L CA -1.305 53.612 54.840 0.127 0.000 0.819 177 L CB 1.828 43.965 42.059 0.131 0.000 1.311 177 L HN 0.664 nan 8.230 nan 0.000 0.423 178 D N 1.120 121.596 120.400 0.126 0.000 2.371 178 D HA 0.089 4.686 4.640 -0.071 0.000 0.242 178 D C 1.246 177.672 176.300 0.210 0.000 1.218 178 D CA -0.065 54.014 54.000 0.132 0.000 0.945 178 D CB 0.858 41.708 40.800 0.083 0.000 1.137 178 D HN 0.581 nan 8.370 nan 0.000 0.464 179 G N -0.129 108.793 108.800 0.203 0.000 2.513 179 G HA2 -0.275 3.643 3.960 -0.071 0.000 0.219 179 G HA3 -0.275 3.643 3.960 -0.071 0.000 0.219 179 G C 1.489 176.518 174.900 0.215 0.000 1.160 179 G CA 1.962 47.233 45.100 0.285 0.000 0.767 179 G HN 0.706 nan 8.290 nan 0.000 0.571 180 A N 0.701 123.591 122.820 0.116 0.000 1.858 180 A HA -0.058 4.219 4.320 -0.071 0.000 0.216 180 A C 2.223 179.820 177.584 0.021 0.000 1.190 180 A CA 2.329 54.402 52.037 0.060 0.000 0.617 180 A CB -0.531 18.495 19.000 0.044 0.000 0.827 180 A HN 0.412 nan 8.150 nan 0.000 0.443 181 E N 0.170 120.388 120.200 0.029 0.000 2.110 181 E HA -0.063 4.244 4.350 -0.071 0.000 0.193 181 E C 1.938 178.491 176.600 -0.080 0.000 0.988 181 E CA 1.643 58.039 56.400 -0.006 0.000 0.804 181 E CB -0.851 28.862 29.700 0.022 0.000 0.745 181 E HN 0.411 nan 8.360 nan 0.000 0.458 182 G N 0.662 109.391 108.800 -0.118 0.000 2.421 182 G HA2 -0.214 3.703 3.960 -0.071 0.000 0.216 182 G HA3 -0.214 3.703 3.960 -0.071 0.000 0.216 182 G C 1.619 176.134 174.900 -0.641 0.000 1.171 182 G CA 0.919 45.685 45.100 -0.557 0.000 0.775 182 G HN 0.318 nan 8.290 nan 0.000 0.543 183 L N -0.267 120.719 121.223 -0.395 0.000 2.083 183 L HA -0.036 4.261 4.340 -0.071 0.000 0.209 183 L C 2.933 179.709 176.870 -0.156 0.000 1.083 183 L CA 1.144 55.844 54.840 -0.233 0.000 0.752 183 L CB -0.410 41.611 42.059 -0.063 0.000 0.899 183 L HN 0.188 nan 8.230 nan 0.000 0.433 184 R N 0.520 120.951 120.500 -0.116 0.000 2.064 184 R HA -0.173 4.124 4.340 -0.071 0.000 0.228 184 R C 2.543 178.793 176.300 -0.084 0.000 1.144 184 R CA 1.571 57.626 56.100 -0.075 0.000 0.932 184 R CB -0.216 30.056 30.300 -0.047 0.000 0.833 184 R HN 0.154 nan 8.270 nan 0.000 0.429 185 R N -0.464 119.979 120.500 -0.096 0.000 2.105 185 R HA -0.107 4.190 4.340 -0.071 0.000 0.239 185 R C 1.845 178.092 176.300 -0.088 0.000 1.135 185 R CA 1.841 57.894 56.100 -0.079 0.000 0.967 185 R CB -0.460 29.798 30.300 -0.070 0.000 0.861 185 R HN 0.421 nan 8.270 nan 0.000 0.442 186 G N -0.426 108.287 108.800 -0.146 0.000 2.985 186 G HA2 -0.051 3.867 3.960 -0.071 0.000 0.209 186 G HA3 -0.051 3.867 3.960 -0.071 0.000 0.209 186 G C -0.171 174.673 174.900 -0.092 0.000 1.165 186 G CA -0.192 44.832 45.100 -0.126 0.000 0.776 186 G HN 0.352 nan 8.290 nan 0.000 0.541 187 R N -1.044 119.404 120.500 -0.086 0.000 3.264 187 R HA -0.139 4.158 4.340 -0.071 0.000 0.251 187 R C -0.659 175.609 176.300 -0.054 0.000 0.971 187 R CA 0.262 56.328 56.100 -0.057 0.000 0.658 187 R CB -2.244 28.035 30.300 -0.036 0.000 1.095 187 R HN 0.339 nan 8.270 nan 0.000 0.443 188 L N 0.423 121.602 121.223 -0.073 0.000 2.334 188 L HA 0.409 4.706 4.340 -0.071 0.000 0.272 188 L C 0.686 177.542 176.870 -0.023 0.000 1.020 188 L CA -1.117 53.693 54.840 -0.050 0.000 0.812 188 L CB 1.518 43.533 42.059 -0.074 0.000 1.264 188 L HN 0.011 nan 8.230 nan 0.000 0.439 189 Q N 2.709 122.508 119.800 -0.002 0.000 2.235 189 Q HA 0.362 4.659 4.340 -0.071 0.000 0.250 189 Q C -2.295 173.722 176.000 0.029 0.000 0.909 189 Q CA -1.849 53.960 55.803 0.010 0.000 0.910 189 Q CB 1.538 30.282 28.738 0.011 0.000 1.223 189 Q HN 0.293 nan 8.270 nan 0.000 0.432 190 P HA 0.000 nan 4.420 nan 0.000 0.271 190 P C -0.234 177.092 177.300 0.044 0.000 1.216 190 P CA -0.523 62.608 63.100 0.051 0.000 0.771 190 P CB 0.581 32.308 31.700 0.045 0.000 0.864 191 L N 3.478 124.731 121.223 0.050 0.000 2.513 191 L HA 0.137 4.434 4.340 -0.071 0.000 0.272 191 L C 0.092 176.981 176.870 0.032 0.000 1.187 191 L CA 0.860 55.722 54.840 0.037 0.000 0.895 191 L CB -0.566 41.511 42.059 0.031 0.000 1.147 191 L HN 0.325 nan 8.230 nan 0.000 0.483 192 D N 5.233 125.656 120.400 0.038 0.000 2.425 192 D HA 0.205 4.803 4.640 -0.071 0.000 0.240 192 D C -0.110 176.228 176.300 0.064 0.000 1.080 192 D CA -0.286 53.742 54.000 0.046 0.000 0.836 192 D CB 1.012 41.846 40.800 0.058 0.000 1.125 192 D HN 0.658 nan 8.370 nan 0.000 0.525 193 L N 3.270 124.520 121.223 0.044 0.000 2.912 193 L HA 0.065 4.362 4.340 -0.071 0.000 0.240 193 L C 2.006 178.910 176.870 0.056 0.000 1.262 193 L CA -0.162 54.709 54.840 0.053 0.000 1.058 193 L CB -0.024 42.044 42.059 0.015 0.000 1.383 193 L HN 0.323 nan 8.230 nan 0.000 0.512 194 S N -2.248 113.483 115.700 0.052 0.000 2.442 194 S HA -0.199 4.229 4.470 -0.071 0.000 0.236 194 S C 1.418 175.966 174.600 -0.087 0.000 1.007 194 S CA 0.887 59.067 58.200 -0.033 0.000 0.965 194 S CB -0.437 62.709 63.200 -0.090 0.000 0.773 194 S HN 0.535 nan 8.310 nan 0.000 0.504 195 H N 1.477 120.541 119.070 -0.011 0.000 2.547 195 H HA 0.369 4.882 4.556 -0.071 0.000 0.266 195 H C 0.510 175.830 175.328 -0.013 0.000 0.988 195 H CA 0.288 56.326 56.048 -0.016 0.000 1.147 195 H CB -0.102 29.647 29.762 -0.021 0.000 1.365 195 H HN 0.344 nan 8.280 nan 0.000 0.589 196 R N 0.953 121.503 120.500 0.083 0.000 3.531 196 R HA -0.131 4.166 4.340 -0.071 0.000 0.280 196 R C -0.796 175.551 176.300 0.078 0.000 1.130 196 R CA 0.830 56.967 56.100 0.063 0.000 0.757 196 R CB -1.759 28.567 30.300 0.044 0.000 1.218 196 R HN 0.533 nan 8.270 nan 0.000 0.454 197 D N -1.114 119.334 120.400 0.080 0.000 2.615 197 D HA 0.233 4.831 4.640 -0.071 0.000 0.236 197 D C 1.185 177.522 176.300 0.061 0.000 1.233 197 D CA 0.296 54.339 54.000 0.072 0.000 0.829 197 D CB 0.374 41.200 40.800 0.045 0.000 1.024 197 D HN 0.286 nan 8.370 nan 0.000 0.490 198 A N 0.282 123.134 122.820 0.052 0.000 2.019 198 A HA -0.080 4.197 4.320 -0.071 0.000 0.219 198 A C 1.875 179.473 177.584 0.023 0.000 1.164 198 A CA 0.710 52.757 52.037 0.017 0.000 0.644 198 A CB -0.425 18.568 19.000 -0.012 0.000 0.805 198 A HN 0.278 nan 8.150 nan 0.000 0.449 199 L N -0.794 120.476 121.223 0.078 0.000 2.551 199 L HA 0.026 4.324 4.340 -0.071 0.000 0.228 199 L C 2.596 179.521 176.870 0.091 0.000 1.153 199 L CA 1.220 56.120 54.840 0.100 0.000 0.851 199 L CB -0.466 41.706 42.059 0.189 0.000 0.959 199 L HN 0.376 nan 8.230 nan 0.000 0.451 200 A N -1.244 121.626 122.820 0.084 0.000 2.123 200 A HA 0.076 4.353 4.320 -0.071 0.000 0.214 200 A C 2.097 179.700 177.584 0.031 0.000 1.152 200 A CA 0.889 52.969 52.037 0.071 0.000 0.728 200 A CB -0.212 18.828 19.000 0.068 0.000 0.814 200 A HN 0.385 nan 8.150 nan 0.000 0.464 201 L N -1.093 120.137 121.223 0.013 0.000 2.425 201 L HA 0.137 4.434 4.340 -0.071 0.000 0.215 201 L C -0.048 176.806 176.870 -0.027 0.000 1.065 201 L CA 0.241 55.075 54.840 -0.011 0.000 0.842 201 L CB 0.413 42.459 42.059 -0.022 0.000 1.033 201 L HN 0.045 nan 8.230 nan 0.000 0.474 202 V N 1.903 121.795 119.914 -0.037 0.000 2.240 202 V HA 0.407 4.485 4.120 -0.071 0.000 0.265 202 V C -0.500 175.574 176.094 -0.034 0.000 1.073 202 V CA -0.265 61.996 62.300 -0.065 0.000 0.857 202 V CB 0.033 31.779 31.823 -0.129 0.000 1.114 202 V HN 0.320 nan 8.190 nan 0.000 0.469 203 N N 2.040 120.732 118.700 -0.014 0.000 3.533 203 N HA 0.490 5.188 4.740 -0.071 0.000 0.229 203 N C -0.025 175.506 175.510 0.035 0.000 1.418 203 N CA 0.580 53.640 53.050 0.017 0.000 0.880 203 N CB 2.186 40.702 38.487 0.048 0.000 1.415 203 N HN 0.789 nan 8.380 nan 0.000 0.491 204 G N 0.042 108.894 108.800 0.087 0.000 2.645 204 G HA2 -0.248 3.670 3.960 -0.071 0.000 0.246 204 G HA3 -0.248 3.670 3.960 -0.071 0.000 0.246 204 G C 0.211 175.156 174.900 0.075 0.000 1.322 204 G CA 0.559 45.717 45.100 0.095 0.000 0.898 204 G HN 1.241 nan 8.290 nan 0.000 0.573 205 T N -3.146 111.439 114.554 0.050 0.000 3.275 205 T HA 0.577 4.885 4.350 -0.071 0.000 0.265 205 T C 1.774 176.480 174.700 0.010 0.000 0.978 205 T CA 0.915 63.036 62.100 0.036 0.000 0.923 205 T CB 0.417 69.305 68.868 0.032 0.000 1.126 205 T HN 0.829 nan 8.240 nan 0.000 0.538 206 S N 1.743 117.445 115.700 0.003 0.000 2.370 206 S HA -0.072 4.355 4.470 -0.071 0.000 0.226 206 S C 2.487 177.080 174.600 -0.013 0.000 1.033 206 S CA 1.264 59.457 58.200 -0.012 0.000 1.011 206 S CB -0.626 62.563 63.200 -0.017 0.000 0.852 206 S HN 0.830 nan 8.310 nan 0.000 0.457 207 A N 2.802 125.618 122.820 -0.006 0.000 1.855 207 A HA -0.106 4.171 4.320 -0.071 0.000 0.215 207 A C 2.303 179.890 177.584 0.005 0.000 1.191 207 A CA 1.854 53.888 52.037 -0.005 0.000 0.613 207 A CB -0.835 18.164 19.000 -0.001 0.000 0.829 207 A HN 0.663 nan 8.150 nan 0.000 0.442 208 M N -1.580 118.028 119.600 0.012 0.000 2.159 208 M HA -0.090 4.348 4.480 -0.071 0.000 0.263 208 M C 1.800 178.109 176.300 0.014 0.000 1.063 208 M CA 2.330 57.642 55.300 0.020 0.000 1.110 208 M CB -1.302 31.313 32.600 0.025 0.000 1.374 208 M HN 0.162 nan 8.290 nan 0.000 0.411 209 T N 1.088 115.641 114.554 -0.001 0.000 2.821 209 T HA 0.017 4.324 4.350 -0.071 0.000 0.267 209 T C 1.949 176.646 174.700 -0.005 0.000 1.046 209 T CA 1.582 63.672 62.100 -0.016 0.000 1.139 209 T CB -0.666 68.183 68.868 -0.031 0.000 0.871 209 T HN 0.724 nan 8.240 nan 0.000 0.454 210 G N 1.194 109.991 108.800 -0.006 0.000 2.402 210 G HA2 -0.100 3.817 3.960 -0.071 0.000 0.216 210 G HA3 -0.100 3.817 3.960 -0.071 0.000 0.216 210 G C 1.518 176.431 174.900 0.022 0.000 1.162 210 G CA 0.383 45.479 45.100 -0.007 0.000 0.777 210 G HN 0.475 nan 8.290 nan 0.000 0.539 211 I N 1.386 121.974 120.570 0.031 0.000 2.179 211 I HA -0.153 3.975 4.170 -0.071 0.000 0.242 211 I C 3.280 179.449 176.117 0.088 0.000 1.088 211 I CA 1.020 62.354 61.300 0.056 0.000 1.357 211 I CB -0.191 37.839 38.000 0.050 0.000 1.051 211 I HN 0.232 nan 8.210 nan 0.000 0.409 212 A N 1.284 124.158 122.820 0.090 0.000 1.933 212 A HA -0.184 4.093 4.320 -0.071 0.000 0.218 212 A C 2.242 179.932 177.584 0.177 0.000 1.175 212 A CA 1.858 53.987 52.037 0.153 0.000 0.628 212 A CB -0.853 18.209 19.000 0.104 0.000 0.814 212 A HN 0.509 nan 8.150 nan 0.000 0.444 213 L N -1.743 119.547 121.223 0.110 0.000 2.141 213 L HA -0.008 4.289 4.340 -0.071 0.000 0.209 213 L C 1.960 178.938 176.870 0.180 0.000 1.094 213 L CA 1.646 56.560 54.840 0.122 0.000 0.763 213 L CB -1.160 40.937 42.059 0.063 0.000 0.908 213 L HN 0.015 nan 8.230 nan 0.000 0.437 214 V N 0.781 120.802 119.914 0.179 0.000 2.453 214 V HA -0.160 3.917 4.120 -0.071 0.000 0.247 214 V C 2.453 178.672 176.094 0.208 0.000 1.048 214 V CA 1.667 64.114 62.300 0.246 0.000 1.049 214 V CB -1.002 30.934 31.823 0.189 0.000 0.672 214 V HN 0.496 nan 8.190 nan 0.000 0.457 215 N N 0.935 119.732 118.700 0.161 0.000 2.120 215 N HA -0.123 4.575 4.740 -0.071 0.000 0.188 215 N C 1.916 177.481 175.510 0.092 0.000 1.024 215 N CA 1.687 54.809 53.050 0.120 0.000 0.852 215 N CB -0.547 37.996 38.487 0.092 0.000 1.003 215 N HN 0.480 nan 8.380 nan 0.000 0.424 216 A N 0.243 123.143 122.820 0.135 0.000 1.902 216 A HA -0.209 4.068 4.320 -0.071 0.000 0.217 216 A C 2.115 179.730 177.584 0.050 0.000 1.181 216 A CA 1.835 53.936 52.037 0.106 0.000 0.623 216 A CB -0.902 18.215 19.000 0.196 0.000 0.818 216 A HN 0.438 nan 8.150 nan 0.000 0.443 217 H N -0.193 118.853 119.070 -0.041 0.000 2.326 217 H HA 0.079 4.594 4.556 -0.067 0.000 0.301 217 H C 2.219 177.476 175.328 -0.118 0.000 1.081 217 H CA 1.852 57.792 56.048 -0.181 0.000 1.334 217 H CB -0.264 29.243 29.762 -0.426 0.000 1.385 217 H HN 0.389 nan 8.280 nan 0.000 0.504 218 A N -0.358 122.479 122.820 0.029 0.000 1.902 218 A HA -0.185 4.092 4.320 -0.071 0.000 0.217 218 A C 2.713 180.286 177.584 -0.018 0.000 1.181 218 A CA 1.524 53.582 52.037 0.035 0.000 0.623 218 A CB -1.222 17.836 19.000 0.098 0.000 0.818 218 A HN 0.642 nan 8.150 nan 0.000 0.443 219 C N -1.319 117.991 119.300 0.017 0.000 2.422 219 C HA -0.025 4.392 4.460 -0.071 0.000 0.279 219 C C 2.782 177.764 174.990 -0.014 0.000 1.305 219 C CA 1.114 60.184 59.018 0.087 0.000 1.757 219 C CB -1.348 26.476 27.740 0.140 0.000 1.962 219 C HN 0.739 nan 8.230 nan 0.000 0.499 220 R N -0.010 120.388 120.500 -0.170 0.000 2.073 220 R HA -0.134 4.164 4.340 -0.071 0.000 0.234 220 R C 2.273 178.385 176.300 -0.313 0.000 1.134 220 R CA 1.609 57.531 56.100 -0.297 0.000 0.952 220 R CB -0.450 29.577 30.300 -0.455 0.000 0.850 220 R HN 0.595 nan 8.270 nan 0.000 0.433 221 H N 0.552 119.492 119.070 -0.217 0.000 2.326 221 H HA -0.094 4.418 4.556 -0.073 0.000 0.301 221 H C 2.198 177.509 175.328 -0.027 0.000 1.081 221 H CA 1.696 57.660 56.048 -0.140 0.000 1.334 221 H CB -0.231 29.444 29.762 -0.145 0.000 1.385 221 H HN 0.250 nan 8.280 nan 0.000 0.504 222 L N -0.170 121.025 121.223 -0.047 0.000 2.083 222 L HA -0.093 4.205 4.340 -0.071 0.000 0.209 222 L C 2.758 179.465 176.870 -0.271 0.000 1.083 222 L CA 1.065 55.694 54.840 -0.351 0.000 0.752 222 L CB -0.766 40.708 42.059 -0.975 0.000 0.899 222 L HN 0.303 nan 8.230 nan 0.000 0.433 223 G N -0.158 108.623 108.800 -0.033 0.000 2.422 223 G HA2 -0.248 3.669 3.960 -0.071 0.000 0.218 223 G HA3 -0.248 3.669 3.960 -0.071 0.000 0.218 223 G C 1.399 176.402 174.900 0.173 0.000 1.146 223 G CA 0.500 45.776 45.100 0.293 0.000 0.769 223 G HN 0.316 nan 8.290 nan 0.000 0.547 224 N N 0.068 118.760 118.700 -0.014 0.000 2.188 224 N HA -0.084 4.613 4.740 -0.071 0.000 0.184 224 N C 1.838 177.265 175.510 -0.137 0.000 1.018 224 N CA 0.838 53.819 53.050 -0.115 0.000 0.858 224 N CB -0.310 38.046 38.487 -0.219 0.000 0.989 224 N HN 0.577 nan 8.380 nan 0.000 0.426 225 W N 1.588 122.842 121.300 -0.077 0.000 2.418 225 W HA 0.086 4.695 4.660 -0.085 0.000 0.292 225 W C 2.498 178.990 176.519 -0.045 0.000 1.213 225 W CA 1.048 58.344 57.345 -0.083 0.000 1.283 225 W CB -0.413 28.953 29.460 -0.157 0.000 1.119 225 W HN 0.020 nan 8.180 nan 0.000 0.542 226 A N -0.141 122.796 122.820 0.194 0.000 1.940 226 A HA -0.177 4.100 4.320 -0.071 0.000 0.219 226 A C 1.990 179.657 177.584 0.139 0.000 1.176 226 A CA 2.148 54.311 52.037 0.209 0.000 0.631 226 A CB -1.065 18.145 19.000 0.350 0.000 0.814 226 A HN 0.105 nan 8.150 nan 0.000 0.446 227 V N -0.395 119.589 119.914 0.117 0.000 2.283 227 V HA -0.181 3.897 4.120 -0.071 0.000 0.243 227 V C 3.070 179.151 176.094 -0.021 0.000 1.039 227 V CA 1.810 64.125 62.300 0.025 0.000 1.016 227 V CB -1.199 30.648 31.823 0.039 0.000 0.650 227 V HN 0.611 nan 8.190 nan 0.000 0.449 228 A N -0.100 122.699 122.820 -0.036 0.000 1.908 228 A HA -0.182 4.095 4.320 -0.071 0.000 0.218 228 A C 2.184 179.789 177.584 0.036 0.000 1.181 228 A CA 1.936 53.941 52.037 -0.053 0.000 0.627 228 A CB -0.586 18.298 19.000 -0.194 0.000 0.818 228 A HN 0.515 nan 8.150 nan 0.000 0.445 229 L N -1.057 120.227 121.223 0.101 0.000 2.156 229 L HA -0.108 4.189 4.340 -0.071 0.000 0.208 229 L C 2.668 179.602 176.870 0.106 0.000 1.095 229 L CA 1.495 56.410 54.840 0.125 0.000 0.770 229 L CB -0.869 41.285 42.059 0.158 0.000 0.914 229 L HN 0.323 nan 8.230 nan 0.000 0.439 230 T N 0.107 114.715 114.554 0.091 0.000 2.777 230 T HA -0.126 4.182 4.350 -0.071 0.000 0.266 230 T C 2.056 176.871 174.700 0.191 0.000 1.040 230 T CA 1.326 63.492 62.100 0.110 0.000 1.141 230 T CB -0.107 68.774 68.868 0.023 0.000 0.868 230 T HN 0.436 nan 8.240 nan 0.000 0.444 231 A N 1.221 124.120 122.820 0.130 0.000 1.898 231 A HA 0.018 4.295 4.320 -0.071 0.000 0.216 231 A C 2.197 179.902 177.584 0.202 0.000 1.181 231 A CA 1.123 53.300 52.037 0.234 0.000 0.620 231 A CB -0.775 18.293 19.000 0.114 0.000 0.819 231 A HN 0.395 nan 8.150 nan 0.000 0.442 232 L N -0.725 120.574 121.223 0.127 0.000 2.141 232 L HA -0.072 4.225 4.340 -0.071 0.000 0.209 232 L C 2.188 179.116 176.870 0.096 0.000 1.094 232 L CA 1.720 56.619 54.840 0.098 0.000 0.763 232 L CB -0.646 41.461 42.059 0.080 0.000 0.908 232 L HN 0.382 nan 8.230 nan 0.000 0.437 233 L N -0.247 121.044 121.223 0.113 0.000 2.083 233 L HA -0.082 4.215 4.340 -0.071 0.000 0.209 233 L C 2.462 179.391 176.870 0.098 0.000 1.083 233 L CA 1.994 56.892 54.840 0.096 0.000 0.752 233 L CB -0.935 41.191 42.059 0.111 0.000 0.899 233 L HN 0.247 nan 8.230 nan 0.000 0.433 234 A N -0.845 122.066 122.820 0.150 0.000 1.972 234 A HA -0.192 4.085 4.320 -0.071 0.000 0.219 234 A C 2.123 179.729 177.584 0.038 0.000 1.169 234 A CA 1.717 53.804 52.037 0.084 0.000 0.635 234 A CB -0.561 18.497 19.000 0.097 0.000 0.810 234 A HN 0.638 nan 8.150 nan 0.000 0.446 235 E N -1.162 119.076 120.200 0.063 0.000 2.285 235 E HA -0.094 4.213 4.350 -0.071 0.000 0.194 235 E C 1.544 178.161 176.600 0.027 0.000 0.997 235 E CA 0.820 57.244 56.400 0.040 0.000 0.845 235 E CB -0.210 29.521 29.700 0.052 0.000 0.782 235 E HN 0.667 nan 8.360 nan 0.000 0.491 236 C N 0.079 119.397 119.300 0.030 0.000 2.634 236 C HA 0.168 4.585 4.460 -0.071 0.000 0.268 236 C C 1.731 176.726 174.990 0.009 0.000 1.322 236 C CA 0.065 59.094 59.018 0.018 0.000 1.737 236 C CB -0.226 27.525 27.740 0.018 0.000 1.976 236 C HN 0.327 nan 8.230 nan 0.000 0.547 237 L N -0.298 120.930 121.223 0.008 0.000 3.122 237 L HA 0.286 4.584 4.340 -0.071 0.000 0.274 237 L C 0.351 177.213 176.870 -0.014 0.000 1.222 237 L CA -0.060 54.779 54.840 -0.002 0.000 1.028 237 L CB -0.210 41.851 42.059 0.004 0.000 1.386 237 L HN 0.200 nan 8.230 nan 0.000 0.578 238 R N 0.647 121.137 120.500 -0.016 0.000 3.336 238 R HA -0.142 4.155 4.340 -0.071 0.000 0.260 238 R C 0.666 176.932 176.300 -0.056 0.000 1.032 238 R CA 0.428 56.512 56.100 -0.028 0.000 0.693 238 R CB -1.977 28.310 30.300 -0.022 0.000 1.134 238 R HN 0.486 nan 8.270 nan 0.000 0.433 239 G N 0.729 109.482 108.800 -0.079 0.000 2.491 239 G HA2 0.164 4.081 3.960 -0.071 0.000 0.238 239 G HA3 0.164 4.081 3.960 -0.071 0.000 0.238 239 G C 0.082 174.842 174.900 -0.232 0.000 1.277 239 G CA -0.508 44.499 45.100 -0.156 0.000 0.851 239 G HN 0.234 nan 8.290 nan 0.000 0.573 240 R N 0.515 120.849 120.500 -0.277 0.000 2.221 240 R HA 0.242 4.539 4.340 -0.071 0.000 0.327 240 R C 1.528 177.533 176.300 -0.492 0.000 1.033 240 R CA 0.201 56.136 56.100 -0.274 0.000 0.887 240 R CB 0.916 31.109 30.300 -0.177 0.000 1.057 240 R HN 0.704 nan 8.270 nan 0.000 0.455 241 T N -1.422 112.895 114.554 -0.395 0.000 3.067 241 T HA -0.114 4.193 4.350 -0.071 0.000 0.261 241 T C 1.438 175.996 174.700 -0.237 0.000 1.110 241 T CA 0.677 62.519 62.100 -0.430 0.000 1.113 241 T CB 0.006 68.765 68.868 -0.182 0.000 0.917 241 T HN 0.743 nan 8.240 nan 0.000 0.499 242 E N 1.857 121.959 120.200 -0.165 0.000 2.265 242 E HA -0.055 4.252 4.350 -0.071 0.000 0.196 242 E C 2.179 178.755 176.600 -0.040 0.000 0.996 242 E CA 0.948 57.307 56.400 -0.069 0.000 0.832 242 E CB -0.533 29.140 29.700 -0.046 0.000 0.756 242 E HN 0.613 nan 8.360 nan 0.000 0.491 243 A N 0.636 123.387 122.820 -0.115 0.000 2.121 243 A HA -0.079 4.198 4.320 -0.071 0.000 0.218 243 A C 0.980 178.707 177.584 0.238 0.000 1.154 243 A CA 0.619 52.656 52.037 0.000 0.000 0.679 243 A CB -0.571 18.396 19.000 -0.055 0.000 0.795 243 A HN 0.503 nan 8.150 nan 0.000 0.458 244 W N -0.365 120.938 121.300 0.004 0.000 3.239 244 W HA 0.601 5.235 4.660 -0.044 0.000 0.368 244 W C 0.855 177.378 176.519 0.006 0.000 1.154 244 W CA -1.083 56.266 57.345 0.006 0.000 1.860 244 W CB -1.332 28.134 29.460 0.011 0.000 1.094 244 W HN 0.337 nan 8.180 nan 0.000 0.643 245 A N 0.878 123.811 122.820 0.190 0.000 2.520 245 A HA 0.414 4.692 4.320 -0.071 0.000 0.235 245 A C 1.678 179.318 177.584 0.093 0.000 1.065 245 A CA 0.741 52.845 52.037 0.111 0.000 0.764 245 A CB 0.547 19.585 19.000 0.063 0.000 1.002 245 A HN 0.248 nan 8.150 nan 0.000 0.502 246 A N 1.970 124.831 122.820 0.068 0.000 1.969 246 A HA 0.184 4.462 4.320 -0.071 0.000 0.218 246 A C 2.329 179.935 177.584 0.037 0.000 1.169 246 A CA 2.042 54.109 52.037 0.049 0.000 0.635 246 A CB -0.929 18.093 19.000 0.037 0.000 0.810 246 A HN 1.732 nan 8.150 nan 0.000 0.445 247 A N -0.069 122.771 122.820 0.033 0.000 1.940 247 A HA -0.098 4.180 4.320 -0.071 0.000 0.219 247 A C 2.132 179.730 177.584 0.023 0.000 1.176 247 A CA 1.556 53.607 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 0.493 nan 8.150 nan 0.000 0.446 248 L N -0.747 120.497 121.223 0.035 0.000 2.056 248 L HA -0.137 4.161 4.340 -0.071 0.000 0.207 248 L C 2.852 179.740 176.870 0.030 0.000 1.078 248 L CA 1.364 56.224 54.840 0.033 0.000 0.749 248 L CB -0.443 41.646 42.059 0.050 0.000 0.901 248 L HN 0.328 nan 8.230 nan 0.000 0.433 249 S N -0.274 115.448 115.700 0.037 0.000 2.368 249 S HA -0.190 4.238 4.470 -0.071 0.000 0.225 249 S C 1.513 176.121 174.600 0.013 0.000 1.030 249 S CA 1.390 59.609 58.200 0.032 0.000 0.999 249 S CB -0.284 62.938 63.200 0.037 0.000 0.844 249 S HN 0.445 nan 8.310 nan 0.000 0.459 250 D N 1.313 121.719 120.400 0.009 0.000 2.178 250 D HA -0.012 4.585 4.640 -0.071 0.000 0.201 250 D C 1.738 178.030 176.300 -0.014 0.000 0.980 250 D CA 0.683 54.681 54.000 -0.003 0.000 0.842 250 D CB -0.239 40.562 40.800 0.001 0.000 0.948 250 D HN 0.335 nan 8.370 nan 0.000 0.472 251 L N -0.487 120.731 121.223 -0.009 0.000 2.291 251 L HA 0.014 4.312 4.340 -0.071 0.000 0.214 251 L C 1.549 178.400 176.870 -0.031 0.000 1.120 251 L CA 0.529 55.359 54.840 -0.016 0.000 0.799 251 L CB 0.161 42.217 42.059 -0.005 0.000 0.925 251 L HN -0.181 nan 8.230 nan 0.000 0.446 252 R N 0.731 121.211 120.500 -0.033 0.000 2.644 252 R HA 0.188 4.486 4.340 -0.071 0.000 0.271 252 R C -2.188 174.052 176.300 -0.100 0.000 1.687 252 R CA -1.372 54.688 56.100 -0.067 0.000 1.655 252 R CB 0.876 31.180 30.300 0.006 0.000 1.285 252 R HN -0.153 nan 8.270 nan 0.000 0.643 253 P HA -0.102 nan 4.420 nan 0.000 0.297 253 P C -0.688 176.536 177.300 -0.127 0.000 1.544 253 P CA 0.331 63.364 63.100 -0.112 0.000 0.798 253 P CB -0.357 31.287 31.700 -0.093 0.000 1.757 254 H N 0.758 119.830 119.070 0.004 0.000 2.819 254 H HA 0.099 4.614 4.556 -0.069 0.000 0.303 254 H C -1.316 174.026 175.328 0.023 0.000 1.058 254 H CA -1.560 54.493 56.048 0.009 0.000 1.471 254 H CB 0.577 30.340 29.762 0.001 0.000 1.480 254 H HN 0.081 nan 8.280 nan 0.000 0.517 255 P HA -0.173 nan 4.420 nan 0.000 0.216 255 P C 1.663 179.037 177.300 0.123 0.000 1.157 255 P CA 1.761 64.923 63.100 0.103 0.000 0.880 255 P CB 0.106 31.860 31.700 0.091 0.000 0.791 256 G N -0.526 108.367 108.800 0.154 0.000 2.422 256 G HA2 -0.307 3.610 3.960 -0.071 0.000 0.218 256 G HA3 -0.307 3.610 3.960 -0.071 0.000 0.218 256 G C 1.680 176.691 174.900 0.185 0.000 1.146 256 G CA 0.770 45.995 45.100 0.210 0.000 0.769 256 G HN 0.330 nan 8.290 nan 0.000 0.547 257 Q N 0.091 119.963 119.800 0.119 0.000 2.046 257 Q HA -0.061 4.236 4.340 -0.071 0.000 0.200 257 Q C 2.475 178.515 176.000 0.067 0.000 0.975 257 Q CA 1.523 57.367 55.803 0.069 0.000 0.836 257 Q CB -0.206 28.584 28.738 0.085 0.000 0.896 257 Q HN 0.500 nan 8.270 nan 0.000 0.428 258 K N 0.220 120.666 120.400 0.078 0.000 2.032 258 K HA -0.247 4.030 4.320 -0.071 0.000 0.209 258 K C 1.694 178.325 176.600 0.051 0.000 1.048 258 K CA 1.983 58.302 56.287 0.054 0.000 0.927 258 K CB -0.214 32.314 32.500 0.047 0.000 0.712 258 K HN 0.207 nan 8.250 nan 0.000 0.441 259 D N -0.274 120.169 120.400 0.073 0.000 2.117 259 D HA -0.108 4.489 4.640 -0.071 0.000 0.197 259 D C 1.699 178.051 176.300 0.086 0.000 0.987 259 D CA 1.492 55.531 54.000 0.065 0.000 0.829 259 D CB -0.061 40.779 40.800 0.066 0.000 0.961 259 D HN 0.343 nan 8.370 nan 0.000 0.460 260 A N 0.498 123.412 122.820 0.156 0.000 1.877 260 A HA 0.017 4.294 4.320 -0.071 0.000 0.216 260 A C 2.384 179.928 177.584 -0.068 0.000 1.186 260 A CA 2.291 54.401 52.037 0.121 0.000 0.620 260 A CB -1.130 17.882 19.000 0.020 0.000 0.822 260 A HN 0.323 nan 8.150 nan 0.000 0.443 261 A N -0.213 122.566 122.820 -0.069 0.000 1.902 261 A HA 0.169 4.446 4.320 -0.071 0.000 0.217 261 A C 2.502 180.058 177.584 -0.047 0.000 1.181 261 A CA 2.097 54.076 52.037 -0.098 0.000 0.623 261 A CB -1.002 18.000 19.000 0.003 0.000 0.818 261 A HN 1.071 nan 8.150 nan 0.000 0.443 262 A N -0.305 122.509 122.820 -0.009 0.000 1.933 262 A HA -0.137 4.140 4.320 -0.071 0.000 0.218 262 A C 2.232 179.807 177.584 -0.016 0.000 1.175 262 A CA 1.545 53.584 52.037 0.004 0.000 0.628 262 A CB -0.397 18.608 19.000 0.008 0.000 0.814 262 A HN 0.546 nan 8.150 nan 0.000 0.444 263 R N -0.693 119.785 120.500 -0.037 0.000 2.115 263 R HA 0.093 4.390 4.340 -0.071 0.000 0.226 263 R C 1.972 178.221 176.300 -0.085 0.000 1.100 263 R CA 1.049 57.118 56.100 -0.051 0.000 0.980 263 R CB -0.379 29.897 30.300 -0.041 0.000 0.875 263 R HN 0.487 nan 8.270 nan 0.000 0.445 264 L N 0.177 121.297 121.223 -0.172 0.000 2.027 264 L HA -0.148 4.150 4.340 -0.071 0.000 0.206 264 L C 2.509 179.366 176.870 -0.021 0.000 1.074 264 L CA 1.401 56.056 54.840 -0.308 0.000 0.745 264 L CB -0.320 41.175 42.059 -0.941 0.000 0.898 264 L HN 0.132 nan 8.230 nan 0.000 0.433 265 R N -0.099 120.445 120.500 0.074 0.000 2.091 265 R HA -0.160 4.137 4.340 -0.071 0.000 0.238 265 R C 2.395 178.754 176.300 0.098 0.000 1.136 265 R CA 1.377 57.579 56.100 0.171 0.000 0.959 265 R CB -0.561 29.820 30.300 0.136 0.000 0.856 265 R HN 0.364 nan 8.270 nan 0.000 0.437 266 A N 1.382 124.227 122.820 0.042 0.000 1.902 266 A HA -0.155 4.122 4.320 -0.071 0.000 0.217 266 A C 2.066 179.663 177.584 0.022 0.000 1.181 266 A CA 1.121 53.171 52.037 0.021 0.000 0.623 266 A CB -0.280 18.717 19.000 -0.005 0.000 0.818 266 A HN 0.109 nan 8.150 nan 0.000 0.443 267 R N -0.200 120.311 120.500 0.018 0.000 2.091 267 R HA -0.120 4.177 4.340 -0.071 0.000 0.238 267 R C 1.933 178.269 176.300 0.059 0.000 1.136 267 R CA 1.776 57.888 56.100 0.019 0.000 0.959 267 R CB -1.405 28.896 30.300 0.002 0.000 0.856 267 R HN 0.678 nan 8.270 nan 0.000 0.437 268 V N -0.642 119.339 119.914 0.112 0.000 3.633 268 V HA 0.099 4.176 4.120 -0.071 0.000 0.283 268 V C 0.211 176.351 176.094 0.077 0.000 1.305 268 V CA -0.547 61.824 62.300 0.118 0.000 1.153 268 V CB -0.664 31.273 31.823 0.190 0.000 0.950 268 V HN -0.059 nan 8.190 nan 0.000 0.432 269 D N 1.304 121.739 120.400 0.060 0.000 2.458 269 D HA 0.416 5.013 4.640 -0.071 0.000 0.243 269 D C 1.458 177.775 176.300 0.028 0.000 1.146 269 D CA 1.857 55.880 54.000 0.039 0.000 0.877 269 D CB 0.592 41.409 40.800 0.029 0.000 1.176 269 D HN 0.548 nan 8.370 nan 0.000 0.461 270 G N 2.341 111.153 108.800 0.021 0.000 2.176 270 G HA2 -0.272 3.646 3.960 -0.071 0.000 0.253 270 G HA3 -0.272 3.646 3.960 -0.071 0.000 0.253 270 G C 0.455 175.365 174.900 0.017 0.000 0.979 270 G CA 0.351 45.461 45.100 0.015 0.000 0.641 270 G HN 0.787 nan 8.290 nan 0.000 0.530 271 S N 0.124 115.838 115.700 0.023 0.000 2.565 271 S HA 0.672 5.099 4.470 -0.071 0.000 0.276 271 S C 1.193 175.801 174.600 0.014 0.000 1.326 271 S CA 0.798 59.012 58.200 0.023 0.000 1.045 271 S CB 1.325 64.546 63.200 0.035 0.000 0.918 271 S HN 1.601 nan 8.310 nan 0.000 0.505 272 A N 5.225 128.054 122.820 0.014 0.000 2.470 272 A HA 0.345 4.622 4.320 -0.071 0.000 0.251 272 A C 1.645 179.238 177.584 0.014 0.000 1.245 272 A CA -0.346 51.698 52.037 0.012 0.000 0.932 272 A CB 0.108 19.115 19.000 0.013 0.000 1.037 272 A HN 0.716 nan 8.150 nan 0.000 0.522 273 R N -0.097 120.411 120.500 0.013 0.000 2.312 273 R HA 0.121 4.419 4.340 -0.071 0.000 0.205 273 R C 0.603 176.904 176.300 0.002 0.000 0.904 273 R CA 0.797 56.903 56.100 0.011 0.000 1.052 273 R CB -0.178 30.132 30.300 0.015 0.000 1.014 273 R HN 0.490 nan 8.270 nan 0.000 0.503 274 V N -1.656 118.255 119.914 -0.005 0.000 2.834 274 V HA 0.504 4.581 4.120 -0.071 0.000 0.313 274 V C 0.401 176.480 176.094 -0.025 0.000 1.060 274 V CA -0.987 61.293 62.300 -0.033 0.000 0.989 274 V CB 2.205 33.996 31.823 -0.054 0.000 1.041 274 V HN -0.269 nan 8.190 nan 0.000 0.459 275 V N 4.152 124.040 119.914 -0.042 0.000 2.383 275 V HA 0.451 4.529 4.120 -0.071 0.000 0.275 275 V C 1.020 177.100 176.094 -0.024 0.000 1.036 275 V CA -0.230 62.077 62.300 0.012 0.000 0.889 275 V CB 0.695 32.524 31.823 0.010 0.000 0.985 275 V HN 0.952 nan 8.190 nan 0.000 0.459 276 R N 1.544 122.030 120.500 -0.025 0.000 2.365 276 R HA 0.197 4.494 4.340 -0.071 0.000 0.223 276 R C -0.138 176.086 176.300 -0.126 0.000 0.899 276 R CA -0.229 55.807 56.100 -0.106 0.000 1.059 276 R CB 0.204 30.416 30.300 -0.146 0.000 1.086 276 R HN 0.736 nan 8.270 nan 0.000 0.522 277 H N 0.248 119.293 119.070 -0.041 0.000 2.886 277 H HA 0.054 4.567 4.556 -0.072 0.000 0.329 277 H C -0.185 175.122 175.328 -0.035 0.000 1.044 277 H CA 0.033 56.062 56.048 -0.032 0.000 1.456 277 H CB 0.798 30.543 29.762 -0.028 0.000 1.464 277 H HN -0.200 nan 8.280 nan 0.000 0.573 278 V N 6.260 126.214 119.914 0.067 0.000 2.427 278 V HA -0.043 4.034 4.120 -0.071 0.000 0.268 278 V C 1.893 178.012 176.094 0.042 0.000 1.046 278 V CA 0.021 62.340 62.300 0.032 0.000 0.970 278 V CB -0.205 31.626 31.823 0.013 0.000 1.001 278 V HN 0.828 nan 8.190 nan 0.000 0.476 279 I N 3.420 124.005 120.570 0.026 0.000 2.248 279 I HA -0.182 3.945 4.170 -0.071 0.000 0.248 279 I C 2.118 178.243 176.117 0.012 0.000 1.107 279 I CA 2.093 63.402 61.300 0.016 0.000 1.373 279 I CB -0.284 37.718 38.000 0.003 0.000 1.055 279 I HN 0.558 nan 8.210 nan 0.000 0.418 280 A N 0.843 123.670 122.820 0.011 0.000 2.178 280 A HA -0.115 4.163 4.320 -0.071 0.000 0.218 280 A C 2.153 179.743 177.584 0.011 0.000 1.157 280 A CA 1.234 53.276 52.037 0.009 0.000 0.689 280 A CB -0.542 18.463 19.000 0.007 0.000 0.787 280 A HN 0.547 nan 8.150 nan 0.000 0.465 281 E N -0.026 120.185 120.200 0.018 0.000 2.208 281 E HA -0.106 4.201 4.350 -0.071 0.000 0.193 281 E C 1.171 177.781 176.600 0.017 0.000 0.988 281 E CA 0.217 56.630 56.400 0.020 0.000 0.828 281 E CB -0.195 29.524 29.700 0.033 0.000 0.763 281 E HN 0.646 nan 8.360 nan 0.000 0.478 282 R N 1.669 122.177 120.500 0.013 0.000 2.442 282 R HA 0.076 4.373 4.340 -0.071 0.000 0.291 282 R C -0.331 175.970 176.300 0.001 0.000 1.069 282 R CA -0.011 56.091 56.100 0.004 0.000 1.022 282 R CB 0.467 30.764 30.300 -0.006 0.000 0.976 282 R HN -0.137 nan 8.270 nan 0.000 0.443 283 R N 5.252 125.752 120.500 -0.001 0.000 2.294 283 R HA 0.294 4.592 4.340 -0.071 0.000 0.319 283 R C -0.510 175.787 176.300 -0.004 0.000 0.984 283 R CA -0.658 55.441 56.100 -0.001 0.000 0.861 283 R CB 1.218 31.518 30.300 -0.000 0.000 1.104 283 R HN 0.491 nan 8.270 nan 0.000 0.451 284 L N 3.633 124.853 121.223 -0.004 0.000 2.326 284 L HA 0.237 4.534 4.340 -0.071 0.000 0.278 284 L C 0.784 177.651 176.870 -0.005 0.000 1.092 284 L CA -0.465 54.371 54.840 -0.006 0.000 0.810 284 L CB 0.703 42.759 42.059 -0.006 0.000 1.153 284 L HN 0.685 nan 8.230 nan 0.000 0.439 285 D N 2.238 122.634 120.400 -0.006 0.000 2.564 285 D HA 0.282 4.879 4.640 -0.071 0.000 0.273 285 D C 0.701 176.998 176.300 -0.005 0.000 1.192 285 D CA -0.401 53.596 54.000 -0.005 0.000 1.080 285 D CB 1.603 42.400 40.800 -0.006 0.000 1.160 285 D HN 0.456 nan 8.370 nan 0.000 0.607 286 A N -0.380 122.437 122.820 -0.005 0.000 1.969 286 A HA 0.075 4.352 4.320 -0.071 0.000 0.218 286 A C 1.992 179.573 177.584 -0.005 0.000 1.169 286 A CA 1.665 53.699 52.037 -0.004 0.000 0.635 286 A CB -1.156 17.841 19.000 -0.004 0.000 0.810 286 A HN 0.682 nan 8.150 nan 0.000 0.445 287 G N -1.158 107.639 108.800 -0.006 0.000 2.920 287 G HA2 0.033 3.950 3.960 -0.071 0.000 0.208 287 G HA3 0.033 3.950 3.960 -0.071 0.000 0.208 287 G C 0.747 175.642 174.900 -0.008 0.000 1.159 287 G CA 0.704 45.800 45.100 -0.007 0.000 0.784 287 G HN 0.419 nan 8.290 nan 0.000 0.535 288 D N 0.497 120.892 120.400 -0.008 0.000 2.213 288 D HA 0.001 4.599 4.640 -0.071 0.000 0.205 288 D C 1.199 177.494 176.300 -0.009 0.000 0.961 288 D CA -0.011 53.983 54.000 -0.010 0.000 0.853 288 D CB 0.368 41.162 40.800 -0.010 0.000 0.967 288 D HN 0.101 nan 8.370 nan 0.000 0.496 289 I N 1.441 122.007 120.570 -0.007 0.000 2.828 289 I HA 0.184 4.311 4.170 -0.071 0.000 0.292 289 I C 1.441 177.554 176.117 -0.007 0.000 1.206 289 I CA 1.034 62.330 61.300 -0.006 0.000 1.420 289 I CB -0.327 37.670 38.000 -0.005 0.000 1.368 289 I HN 0.057 nan 8.210 nan 0.000 0.556 290 G N 5.804 114.600 108.800 -0.007 0.000 2.398 290 G HA2 0.122 4.040 3.960 -0.071 0.000 0.251 290 G HA3 0.122 4.040 3.960 -0.071 0.000 0.251 290 G C -1.100 173.796 174.900 -0.008 0.000 1.277 290 G CA -0.648 44.448 45.100 -0.007 0.000 0.927 290 G HN 0.418 nan 8.290 nan 0.000 0.477 291 T N 1.942 116.491 114.554 -0.008 0.000 2.772 291 T HA 0.575 4.883 4.350 -0.071 0.000 0.288 291 T C -0.201 174.492 174.700 -0.011 0.000 0.994 291 T CA -0.263 61.832 62.100 -0.009 0.000 0.951 291 T CB 1.398 70.261 68.868 -0.009 0.000 0.933 291 T HN 0.457 nan 8.240 nan 0.000 0.447 292 E N 3.140 123.333 120.200 -0.012 0.000 2.318 292 E HA 0.195 4.502 4.350 -0.071 0.000 0.265 292 E C -1.276 175.315 176.600 -0.015 0.000 1.069 292 E CA -1.973 54.418 56.400 -0.015 0.000 0.893 292 E CB 0.713 30.403 29.700 -0.017 0.000 1.076 292 E HN 0.323 nan 8.360 nan 0.000 0.414 293 P HA -0.123 nan 4.420 nan 0.000 0.215 293 P C -0.552 176.738 177.300 -0.017 0.000 1.153 293 P CA 1.363 64.453 63.100 -0.017 0.000 0.853 293 P CB 0.330 32.019 31.700 -0.018 0.000 0.788 294 E N -1.560 118.628 120.200 -0.019 0.000 2.369 294 E HA 0.610 4.918 4.350 -0.071 0.000 0.270 294 E C -0.926 175.664 176.600 -0.017 0.000 0.909 294 E CA -1.169 55.220 56.400 -0.018 0.000 0.775 294 E CB 2.038 31.726 29.700 -0.021 0.000 1.270 294 E HN -0.102 nan 8.360 nan 0.000 0.445 295 A N 0.422 123.234 122.820 -0.014 0.000 2.313 295 A HA 0.468 4.745 4.320 -0.071 0.000 0.261 295 A C 1.121 178.699 177.584 -0.010 0.000 1.090 295 A CA 0.261 52.293 52.037 -0.009 0.000 0.807 295 A CB 0.205 19.202 19.000 -0.004 0.000 1.055 295 A HN 0.772 nan 8.150 nan 0.000 0.492 296 G N -0.751 108.045 108.800 -0.006 0.000 2.848 296 G HA2 0.286 4.203 3.960 -0.071 0.000 0.208 296 G HA3 0.286 4.203 3.960 -0.071 0.000 0.208 296 G C 0.418 175.314 174.900 -0.007 0.000 1.152 296 G CA 0.359 45.454 45.100 -0.009 0.000 0.789 296 G HN 0.710 nan 8.290 nan 0.000 0.531 297 Q N 0.219 120.020 119.800 0.002 0.000 2.389 297 Q HA 0.304 4.601 4.340 -0.071 0.000 0.277 297 Q C -1.513 174.499 176.000 0.019 0.000 1.082 297 Q CA -1.044 54.765 55.803 0.010 0.000 0.810 297 Q CB 2.103 30.864 28.738 0.038 0.000 1.374 297 Q HN 0.014 nan 8.270 nan 0.000 0.422 298 D N 0.808 121.218 120.400 0.016 0.000 2.377 298 D HA 0.347 4.944 4.640 -0.071 0.000 0.245 298 D C -0.114 176.242 176.300 0.093 0.000 1.196 298 D CA -0.054 53.964 54.000 0.029 0.000 0.962 298 D CB 0.779 41.583 40.800 0.006 0.000 1.127 298 D HN 0.625 nan 8.370 nan 0.000 0.471 299 A N 0.413 123.279 122.820 0.077 0.000 2.386 299 A HA 0.018 4.295 4.320 -0.071 0.000 0.246 299 A C 0.625 178.354 177.584 0.243 0.000 1.089 299 A CA -0.130 51.960 52.037 0.087 0.000 0.790 299 A CB -0.080 18.931 19.000 0.020 0.000 1.042 299 A HN 0.535 nan 8.150 nan 0.000 0.497 300 Y N 0.954 121.271 120.300 0.029 0.000 2.256 300 Y HA -0.198 4.305 4.550 -0.078 0.000 0.288 300 Y C 2.883 178.817 175.900 0.057 0.000 1.155 300 Y CA 1.560 59.684 58.100 0.040 0.000 1.203 300 Y CB -1.319 37.156 38.460 0.024 0.000 0.980 300 Y HN 0.738 nan 8.280 nan 0.000 0.530 301 S N -1.066 114.759 115.700 0.208 0.000 2.500 301 S HA -0.102 4.325 4.470 -0.071 0.000 0.239 301 S C 1.755 176.461 174.600 0.176 0.000 0.989 301 S CA 1.095 59.385 58.200 0.151 0.000 0.951 301 S CB -0.525 62.739 63.200 0.106 0.000 0.759 301 S HN 0.463 nan 8.310 nan 0.000 0.523 302 L N -0.381 120.967 121.223 0.209 0.000 2.588 302 L HA 0.358 4.656 4.340 -0.071 0.000 0.194 302 L C 2.689 179.777 176.870 0.364 0.000 1.070 302 L CA 0.201 55.215 54.840 0.290 0.000 0.852 302 L CB -0.214 41.951 42.059 0.177 0.000 1.199 302 L HN 0.162 nan 8.230 nan 0.000 0.486 303 R N 0.001 120.633 120.500 0.220 0.000 2.096 303 R HA -0.136 4.161 4.340 -0.071 0.000 0.235 303 R C 1.505 177.902 176.300 0.161 0.000 1.127 303 R CA 1.805 58.007 56.100 0.169 0.000 0.968 303 R CB -0.195 30.171 30.300 0.109 0.000 0.861 303 R HN 0.391 nan 8.270 nan 0.000 0.440 304 C N 0.264 119.622 119.300 0.096 0.000 2.780 304 C HA 0.448 4.865 4.460 -0.071 0.000 0.287 304 C C 2.113 177.116 174.990 0.021 0.000 1.288 304 C CA -0.390 58.623 59.018 -0.009 0.000 1.713 304 C CB -0.347 27.292 27.740 -0.168 0.000 1.955 304 C HN 0.630 nan 8.230 nan 0.000 0.613 305 A N 2.661 125.538 122.820 0.095 0.000 1.908 305 A HA -0.110 4.167 4.320 -0.071 0.000 0.218 305 A C -0.005 177.497 177.584 -0.137 0.000 1.181 305 A CA 1.837 53.865 52.037 -0.015 0.000 0.627 305 A CB -1.530 17.466 19.000 -0.006 0.000 0.818 305 A HN 0.419 nan 8.150 nan 0.000 0.445 306 P HA -0.144 nan 4.420 nan 0.000 0.216 306 P C 1.279 178.508 177.300 -0.117 0.000 1.153 306 P CA 1.465 64.474 63.100 -0.151 0.000 0.848 306 P CB -0.049 31.605 31.700 -0.075 0.000 0.787 307 Q N -0.967 118.784 119.800 -0.082 0.000 2.079 307 Q HA -0.076 4.221 4.340 -0.071 0.000 0.200 307 Q C 2.119 178.038 176.000 -0.135 0.000 0.974 307 Q CA 1.228 56.978 55.803 -0.089 0.000 0.840 307 Q CB -1.328 27.365 28.738 -0.075 0.000 0.898 307 Q HN 0.097 nan 8.270 nan 0.000 0.430 308 V N 0.155 119.986 119.914 -0.139 0.000 2.302 308 V HA -0.173 3.905 4.120 -0.071 0.000 0.243 308 V C 2.052 177.996 176.094 -0.250 0.000 1.036 308 V CA 1.320 63.526 62.300 -0.157 0.000 1.020 308 V CB -0.506 31.252 31.823 -0.108 0.000 0.657 308 V HN 0.303 nan 8.190 nan 0.000 0.453 309 L N 0.507 121.536 121.223 -0.325 0.000 2.046 309 L HA -0.087 4.211 4.340 -0.071 0.000 0.208 309 L C 2.656 179.033 176.870 -0.823 0.000 1.077 309 L CA 1.754 56.216 54.840 -0.630 0.000 0.747 309 L CB -1.188 40.489 42.059 -0.637 0.000 0.896 309 L HN 0.484 nan 8.230 nan 0.000 0.432 310 G N -0.319 108.221 108.800 -0.434 0.000 2.440 310 G HA2 -0.265 3.652 3.960 -0.071 0.000 0.218 310 G HA3 -0.265 3.652 3.960 -0.071 0.000 0.218 310 G C 1.765 176.581 174.900 -0.139 0.000 1.154 310 G CA 0.842 45.820 45.100 -0.203 0.000 0.767 310 G HN 0.473 nan 8.290 nan 0.000 0.552 311 A N 0.740 123.448 122.820 -0.186 0.000 1.930 311 A HA 0.194 4.471 4.320 -0.071 0.000 0.217 311 A C 2.677 180.201 177.584 -0.099 0.000 1.175 311 A CA 2.006 53.949 52.037 -0.157 0.000 0.627 311 A CB -0.904 17.991 19.000 -0.174 0.000 0.815 311 A HN 0.509 nan 8.150 nan 0.000 0.443 312 G N -1.211 107.495 108.800 -0.157 0.000 2.408 312 G HA2 -0.087 3.830 3.960 -0.071 0.000 0.217 312 G HA3 -0.087 3.830 3.960 -0.071 0.000 0.217 312 G C 1.275 176.250 174.900 0.126 0.000 1.150 312 G CA 0.946 45.995 45.100 -0.083 0.000 0.776 312 G HN 0.371 nan 8.290 nan 0.000 0.542 313 F N 1.738 121.695 119.950 0.012 0.000 2.186 313 F HA 0.037 4.574 4.527 0.016 0.000 0.299 313 F C 2.280 178.107 175.800 0.046 0.000 1.090 313 F CA 0.404 58.423 58.000 0.032 0.000 1.307 313 F CB -0.548 38.464 39.000 0.019 0.000 1.019 313 F HN 0.113 nan 8.300 nan 0.000 0.489 314 D N -0.657 119.874 120.400 0.219 0.000 2.178 314 D HA -0.099 4.498 4.640 -0.071 0.000 0.202 314 D C 2.228 178.641 176.300 0.188 0.000 0.974 314 D CA 1.392 55.488 54.000 0.160 0.000 0.841 314 D CB -0.393 40.453 40.800 0.076 0.000 0.953 314 D HN 0.188 nan 8.370 nan 0.000 0.478 315 T N 1.203 115.859 114.554 0.170 0.000 2.777 315 T HA -0.121 4.187 4.350 -0.071 0.000 0.266 315 T C 1.908 176.778 174.700 0.283 0.000 1.040 315 T CA 0.432 62.672 62.100 0.233 0.000 1.141 315 T CB -0.236 68.720 68.868 0.147 0.000 0.868 315 T HN 0.044 nan 8.240 nan 0.000 0.444 316 L N 1.472 122.821 121.223 0.210 0.000 2.083 316 L HA 0.101 4.398 4.340 -0.071 0.000 0.209 316 L C 2.548 179.539 176.870 0.201 0.000 1.083 316 L CA 1.706 56.647 54.840 0.168 0.000 0.752 316 L CB -0.983 41.162 42.059 0.143 0.000 0.899 316 L HN 0.213 nan 8.230 nan 0.000 0.433 317 A N -1.144 121.797 122.820 0.201 0.000 1.902 317 A HA -0.274 4.003 4.320 -0.071 0.000 0.217 317 A C 2.125 179.848 177.584 0.232 0.000 1.181 317 A CA 1.726 53.869 52.037 0.177 0.000 0.623 317 A CB -1.454 17.642 19.000 0.160 0.000 0.818 317 A HN 0.733 nan 8.150 nan 0.000 0.443 318 W N 0.422 121.782 121.300 0.099 0.000 2.355 318 W HA -0.194 4.420 4.660 -0.076 0.000 0.309 318 W C 2.273 178.861 176.519 0.115 0.000 1.206 318 W CA 1.946 59.345 57.345 0.091 0.000 1.284 318 W CB -0.758 28.749 29.460 0.079 0.000 1.145 318 W HN 0.632 nan 8.180 nan 0.000 0.502 319 H N 0.152 119.162 119.070 -0.100 0.000 2.319 319 H HA -0.175 4.340 4.556 -0.068 0.000 0.297 319 H C 1.409 176.621 175.328 -0.192 0.000 1.097 319 H CA 2.427 58.313 56.048 -0.270 0.000 1.285 319 H CB -0.541 29.176 29.762 -0.076 0.000 1.368 319 H HN 0.060 nan 8.280 nan 0.000 0.495 320 D N 0.253 120.704 120.400 0.086 0.000 2.144 320 D HA -0.081 4.516 4.640 -0.071 0.000 0.200 320 D C 2.605 178.872 176.300 -0.056 0.000 0.978 320 D CA 0.623 54.641 54.000 0.031 0.000 0.833 320 D CB -0.227 40.633 40.800 0.100 0.000 0.961 320 D HN 0.387 nan 8.370 nan 0.000 0.470 321 R N 0.273 120.748 120.500 -0.042 0.000 2.073 321 R HA -0.061 4.236 4.340 -0.071 0.000 0.234 321 R C 2.336 178.574 176.300 -0.103 0.000 1.134 321 R CA 0.770 56.854 56.100 -0.027 0.000 0.952 321 R CB -0.456 29.875 30.300 0.051 0.000 0.850 321 R HN 0.104 nan 8.270 nan 0.000 0.433 322 V N 1.415 121.186 119.914 -0.239 0.000 2.307 322 V HA -0.224 3.854 4.120 -0.071 0.000 0.245 322 V C 2.234 178.181 176.094 -0.246 0.000 1.045 322 V CA 1.448 63.588 62.300 -0.267 0.000 1.024 322 V CB -0.461 31.089 31.823 -0.455 0.000 0.651 322 V HN 0.234 nan 8.190 nan 0.000 0.449 323 L N 0.044 121.077 121.223 -0.316 0.000 2.083 323 L HA -0.150 4.147 4.340 -0.071 0.000 0.209 323 L C 2.424 179.203 176.870 -0.152 0.000 1.083 323 L CA 2.370 57.050 54.840 -0.267 0.000 0.752 323 L CB -0.997 40.849 42.059 -0.355 0.000 0.899 323 L HN 0.342 nan 8.230 nan 0.000 0.433 324 T N -0.154 114.335 114.554 -0.109 0.000 2.746 324 T HA -0.147 4.160 4.350 -0.071 0.000 0.267 324 T C 1.964 176.638 174.700 -0.044 0.000 1.039 324 T CA 1.943 64.010 62.100 -0.054 0.000 1.142 324 T CB -0.277 68.601 68.868 0.016 0.000 0.866 324 T HN 0.328 nan 8.240 nan 0.000 0.444 325 I N 0.685 121.221 120.570 -0.057 0.000 2.252 325 I HA -0.144 3.983 4.170 -0.071 0.000 0.245 325 I C 2.720 178.780 176.117 -0.094 0.000 1.102 325 I CA 1.272 62.535 61.300 -0.061 0.000 1.385 325 I CB -0.317 37.625 38.000 -0.096 0.000 1.064 325 I HN 0.208 nan 8.210 nan 0.000 0.414 326 E N 1.352 121.475 120.200 -0.127 0.000 2.051 326 E HA -0.258 4.049 4.350 -0.071 0.000 0.192 326 E C 2.033 178.579 176.600 -0.090 0.000 0.991 326 E CA 1.307 57.635 56.400 -0.120 0.000 0.799 326 E CB -0.297 29.329 29.700 -0.124 0.000 0.748 326 E HN 0.300 nan 8.360 nan 0.000 0.449 327 L N 1.018 122.186 121.223 -0.092 0.000 2.042 327 L HA -0.114 4.183 4.340 -0.071 0.000 0.210 327 L C 1.166 177.984 176.870 -0.086 0.000 1.076 327 L CA 1.867 56.655 54.840 -0.086 0.000 0.749 327 L CB -0.474 41.526 42.059 -0.099 0.000 0.893 327 L HN 0.152 nan 8.230 nan 0.000 0.432 328 N N -0.071 118.577 118.700 -0.086 0.000 2.314 328 N HA 0.200 4.897 4.740 -0.071 0.000 0.200 328 N C 0.319 175.810 175.510 -0.033 0.000 1.135 328 N CA 0.634 53.645 53.050 -0.064 0.000 0.835 328 N CB 0.205 38.663 38.487 -0.048 0.000 0.989 328 N HN 0.433 nan 8.380 nan 0.000 0.478 329 A N 0.204 122.996 122.820 -0.047 0.000 2.248 329 A HA 0.597 4.875 4.320 -0.071 0.000 0.316 329 A C -0.022 177.538 177.584 -0.040 0.000 1.101 329 A CA -0.399 51.610 52.037 -0.047 0.000 0.875 329 A CB 1.029 19.986 19.000 -0.072 0.000 1.207 329 A HN -0.036 nan 8.150 nan 0.000 0.504 330 V N 1.163 121.053 119.914 -0.039 0.000 2.328 330 V HA 0.312 4.390 4.120 -0.071 0.000 0.278 330 V C 0.849 176.920 176.094 -0.039 0.000 1.021 330 V CA 0.387 62.669 62.300 -0.030 0.000 0.838 330 V CB 0.745 32.551 31.823 -0.027 0.000 0.999 330 V HN 1.040 nan 8.190 nan 0.000 0.447 331 T N -0.720 113.821 114.554 -0.021 0.000 3.186 331 T HA 0.208 4.515 4.350 -0.071 0.000 0.257 331 T C 0.168 174.890 174.700 0.037 0.000 1.029 331 T CA -0.526 61.568 62.100 -0.010 0.000 0.916 331 T CB -0.316 68.557 68.868 0.007 0.000 1.041 331 T HN 0.534 nan 8.240 nan 0.000 0.562 332 D N 2.454 122.866 120.400 0.020 0.000 2.360 332 D HA 0.503 5.100 4.640 -0.071 0.000 0.242 332 D C -0.081 176.241 176.300 0.036 0.000 1.184 332 D CA 0.029 54.055 54.000 0.043 0.000 0.930 332 D CB 0.460 41.265 40.800 0.008 0.000 1.161 332 D HN 0.321 nan 8.370 nan 0.000 0.447 333 N N -0.002 118.744 118.700 0.077 0.000 2.537 333 N HA 0.284 4.982 4.740 -0.071 0.000 0.281 333 N C -2.929 172.598 175.510 0.028 0.000 1.097 333 N CA -1.318 51.752 53.050 0.033 0.000 0.964 333 N CB 1.853 40.491 38.487 0.253 0.000 1.588 333 N HN 0.026 nan 8.380 nan 0.000 0.511 334 P HA 0.349 nan 4.420 nan 0.000 0.279 334 P C -0.905 176.076 177.300 -0.532 0.000 1.282 334 P CA -0.453 62.375 63.100 -0.453 0.000 0.788 334 P CB 0.972 32.209 31.700 -0.772 0.000 1.139 335 V N -3.801 115.724 119.914 -0.649 0.000 3.001 335 V HA 0.627 4.704 4.120 -0.071 0.000 0.314 335 V C -0.997 174.636 176.094 -0.769 0.000 1.099 335 V CA -0.941 61.004 62.300 -0.591 0.000 0.989 335 V CB 1.625 33.294 31.823 -0.256 0.000 1.040 335 V HN 0.224 nan 8.190 nan 0.000 0.434 336 F N 1.921 121.855 119.950 -0.027 0.000 2.311 336 F HA 0.601 5.086 4.527 -0.071 0.000 0.371 336 F C -2.388 173.406 175.800 -0.010 0.000 1.083 336 F CA -2.567 55.425 58.000 -0.014 0.000 1.113 336 F CB 1.222 40.221 39.000 -0.002 0.000 1.349 336 F HN 0.289 nan 8.300 nan 0.000 0.470 337 P HA -0.036 nan 4.420 nan 0.000 0.256 337 P C -1.970 175.372 177.300 0.071 0.000 1.173 337 P CA -0.524 62.609 63.100 0.054 0.000 0.768 337 P CB 0.387 32.107 31.700 0.034 0.000 0.758 338 P HA -0.180 nan 4.420 nan 0.000 0.219 338 P C 0.865 178.185 177.300 0.034 0.000 1.146 338 P CA 1.339 64.466 63.100 0.045 0.000 0.808 338 P CB -0.104 31.615 31.700 0.032 0.000 0.779 339 D N -1.515 118.902 120.400 0.028 0.000 2.363 339 D HA 0.017 4.614 4.640 -0.071 0.000 0.220 339 D C 1.436 177.752 176.300 0.026 0.000 0.994 339 D CA 0.834 54.847 54.000 0.022 0.000 0.890 339 D CB -1.255 39.554 40.800 0.015 0.000 0.906 339 D HN 0.180 nan 8.370 nan 0.000 0.530 340 G N 0.268 109.090 108.800 0.037 0.000 2.168 340 G HA2 -0.392 3.525 3.960 -0.071 0.000 0.257 340 G HA3 -0.392 3.525 3.960 -0.071 0.000 0.257 340 G C 1.231 176.154 174.900 0.037 0.000 0.997 340 G CA 1.207 46.331 45.100 0.040 0.000 0.708 340 G HN 0.627 nan 8.290 nan 0.000 0.520 341 S N -1.382 114.337 115.700 0.032 0.000 2.359 341 S HA 0.165 4.592 4.470 -0.071 0.000 0.224 341 S C 1.256 175.876 174.600 0.033 0.000 1.035 341 S CA 1.965 60.181 58.200 0.027 0.000 1.018 341 S CB -0.482 62.730 63.200 0.019 0.000 0.876 341 S HN 2.017 nan 8.310 nan 0.000 0.448 342 V N -3.273 116.666 119.914 0.042 0.000 3.078 342 V HA 0.569 4.646 4.120 -0.071 0.000 0.311 342 V C -2.487 173.655 176.094 0.079 0.000 1.138 342 V CA -2.179 60.152 62.300 0.052 0.000 1.007 342 V CB 1.210 33.059 31.823 0.043 0.000 1.045 342 V HN -0.098 nan 8.190 nan 0.000 0.432 343 P HA 0.201 nan 4.420 nan 0.000 0.215 343 P C 0.271 177.704 177.300 0.223 0.000 1.153 343 P CA 2.176 65.368 63.100 0.153 0.000 0.853 343 P CB 0.164 31.950 31.700 0.145 0.000 0.788 344 A N -2.010 120.886 122.820 0.128 0.000 2.608 344 A HA 0.627 4.905 4.320 -0.071 0.000 0.292 344 A C -1.865 175.681 177.584 -0.063 0.000 1.066 344 A CA -0.543 51.483 52.037 -0.018 0.000 0.676 344 A CB 0.434 19.400 19.000 -0.057 0.000 1.277 344 A HN -0.052 nan 8.150 nan 0.000 0.413 345 L N 1.201 122.298 121.223 -0.211 0.000 2.346 345 L HA 0.608 4.905 4.340 -0.071 0.000 0.274 345 L C -0.995 175.698 176.870 -0.295 0.000 1.007 345 L CA -0.692 54.066 54.840 -0.136 0.000 0.818 345 L CB 2.181 44.173 42.059 -0.112 0.000 1.284 345 L HN 0.850 nan 8.230 nan 0.000 0.424 346 H N 1.062 120.071 119.070 -0.102 0.000 2.505 346 H HA 0.747 5.260 4.556 -0.071 0.000 0.338 346 H C 0.146 175.416 175.328 -0.097 0.000 1.057 346 H CA -0.134 55.854 56.048 -0.100 0.000 1.202 346 H CB 1.973 31.676 29.762 -0.097 0.000 1.466 346 H HN 0.740 nan 8.280 nan 0.000 0.499 347 G N 0.660 109.438 108.800 -0.038 0.000 2.793 347 G HA2 0.445 4.362 3.960 -0.071 0.000 0.248 347 G HA3 0.445 4.362 3.960 -0.071 0.000 0.248 347 G C -0.279 174.483 174.900 -0.230 0.000 1.198 347 G CA -0.296 44.743 45.100 -0.103 0.000 0.865 347 G HN 0.664 nan 8.290 nan 0.000 0.534 348 G N -0.003 108.534 108.800 -0.439 0.000 4.716 348 G HA2 0.286 4.204 3.960 -0.071 0.000 0.282 348 G HA3 0.286 4.204 3.960 -0.071 0.000 0.282 348 G C 0.298 174.584 174.900 -1.024 0.000 1.173 348 G CA -0.113 44.344 45.100 -1.072 0.000 0.913 348 G HN 0.267 nan 8.290 nan 0.000 0.566 349 N N 0.899 119.228 118.700 -0.618 0.000 2.573 349 N HA -0.063 4.634 4.740 -0.071 0.000 0.187 349 N C 1.611 176.966 175.510 -0.258 0.000 1.107 349 N CA 0.438 53.284 53.050 -0.340 0.000 0.918 349 N CB -0.182 38.194 38.487 -0.184 0.000 0.966 349 N HN 0.631 nan 8.380 nan 0.000 0.448 350 F N -0.978 118.952 119.950 -0.033 0.000 2.710 350 F HA 0.281 4.765 4.527 -0.072 0.000 0.298 350 F C 0.878 176.674 175.800 -0.007 0.000 1.137 350 F CA -0.657 57.329 58.000 -0.023 0.000 1.444 350 F CB -0.770 38.215 39.000 -0.025 0.000 1.111 350 F HN -0.159 nan 8.300 nan 0.000 0.580 351 M N 2.771 122.346 119.600 -0.043 0.000 2.435 351 M HA 0.331 4.768 4.480 -0.071 0.000 0.338 351 M C 0.966 177.309 176.300 0.071 0.000 1.628 351 M CA -0.587 54.762 55.300 0.082 0.000 1.215 351 M CB 0.118 32.686 32.600 -0.053 0.000 1.905 351 M HN 0.230 nan 8.290 nan 0.000 0.457 352 G N 3.528 112.389 108.800 0.102 0.000 3.452 352 G HA2 0.034 3.952 3.960 -0.071 0.000 0.258 352 G HA3 0.034 3.952 3.960 -0.071 0.000 0.258 352 G C 0.673 175.609 174.900 0.060 0.000 1.305 352 G CA -0.193 44.953 45.100 0.076 0.000 1.514 352 G HN 0.818 nan 8.290 nan 0.000 0.593 353 Q N -0.067 119.764 119.800 0.053 0.000 2.167 353 Q HA -0.082 4.216 4.340 -0.071 0.000 0.202 353 Q C 1.917 177.883 176.000 -0.057 0.000 0.970 353 Q CA 1.394 57.194 55.803 -0.006 0.000 0.855 353 Q CB -0.102 28.610 28.738 -0.043 0.000 0.911 353 Q HN 0.719 nan 8.270 nan 0.000 0.438 354 H N -1.758 117.290 119.070 -0.036 0.000 2.326 354 H HA -0.057 4.456 4.556 -0.072 0.000 0.301 354 H C 1.779 177.031 175.328 -0.126 0.000 1.081 354 H CA 1.734 57.735 56.048 -0.078 0.000 1.334 354 H CB 0.031 29.733 29.762 -0.100 0.000 1.385 354 H HN 0.068 nan 8.280 nan 0.000 0.504 355 V N 0.467 120.389 119.914 0.014 0.000 2.548 355 V HA -0.200 3.877 4.120 -0.071 0.000 0.249 355 V C 2.469 178.555 176.094 -0.013 0.000 1.055 355 V CA 1.343 63.616 62.300 -0.045 0.000 1.065 355 V CB -0.866 30.942 31.823 -0.025 0.000 0.681 355 V HN 0.562 nan 8.190 nan 0.000 0.462 356 A N 0.062 122.886 122.820 0.007 0.000 1.858 356 A HA -0.153 4.124 4.320 -0.071 0.000 0.216 356 A C 2.200 179.801 177.584 0.028 0.000 1.190 356 A CA 1.777 53.829 52.037 0.024 0.000 0.617 356 A CB -0.517 18.499 19.000 0.025 0.000 0.827 356 A HN 0.480 nan 8.150 nan 0.000 0.443 357 L N -0.132 121.097 121.223 0.010 0.000 2.093 357 L HA -0.147 4.151 4.340 -0.071 0.000 0.208 357 L C 2.976 179.898 176.870 0.086 0.000 1.085 357 L CA 1.801 56.677 54.840 0.060 0.000 0.755 357 L CB -0.887 41.218 42.059 0.077 0.000 0.904 357 L HN 0.663 nan 8.230 nan 0.000 0.435 358 T N -4.654 109.859 114.554 -0.068 0.000 2.904 358 T HA -0.082 4.225 4.350 -0.071 0.000 0.267 358 T C 2.022 176.810 174.700 0.147 0.000 1.059 358 T CA 1.187 63.206 62.100 -0.135 0.000 1.137 358 T CB -0.197 68.377 68.868 -0.490 0.000 0.879 358 T HN 0.116 nan 8.240 nan 0.000 0.467 359 S N 1.681 117.458 115.700 0.129 0.000 2.368 359 S HA -0.093 4.334 4.470 -0.071 0.000 0.224 359 S C 1.849 176.512 174.600 0.105 0.000 1.029 359 S CA 1.208 59.500 58.200 0.154 0.000 0.988 359 S CB -0.524 62.743 63.200 0.112 0.000 0.838 359 S HN 0.512 nan 8.310 nan 0.000 0.462 360 D N 1.635 122.092 120.400 0.094 0.000 2.117 360 D HA 0.010 4.607 4.640 -0.071 0.000 0.197 360 D C 2.096 178.451 176.300 0.092 0.000 0.987 360 D CA 1.176 55.225 54.000 0.081 0.000 0.829 360 D CB -0.405 40.438 40.800 0.072 0.000 0.961 360 D HN 0.375 nan 8.370 nan 0.000 0.460 361 A N 0.587 123.498 122.820 0.151 0.000 1.898 361 A HA -0.114 4.164 4.320 -0.071 0.000 0.216 361 A C 2.129 179.786 177.584 0.122 0.000 1.181 361 A CA 0.860 53.005 52.037 0.180 0.000 0.620 361 A CB -0.620 18.612 19.000 0.387 0.000 0.819 361 A HN 0.241 nan 8.150 nan 0.000 0.442 362 L N -0.231 121.058 121.223 0.109 0.000 2.093 362 L HA -0.000 4.297 4.340 -0.071 0.000 0.208 362 L C 2.623 179.479 176.870 -0.023 0.000 1.085 362 L CA 2.013 56.862 54.840 0.015 0.000 0.755 362 L CB -0.778 41.213 42.059 -0.113 0.000 0.904 362 L HN 0.332 nan 8.230 nan 0.000 0.435 363 A N -1.509 121.312 122.820 0.001 0.000 1.908 363 A HA -0.210 4.067 4.320 -0.071 0.000 0.218 363 A C 2.256 179.813 177.584 -0.044 0.000 1.181 363 A CA 2.321 54.350 52.037 -0.013 0.000 0.627 363 A CB -1.182 17.828 19.000 0.016 0.000 0.818 363 A HN 0.509 nan 8.150 nan 0.000 0.445 364 T N 0.233 114.771 114.554 -0.027 0.000 2.737 364 T HA 0.004 4.312 4.350 -0.071 0.000 0.265 364 T C 2.251 176.893 174.700 -0.097 0.000 1.038 364 T CA 1.553 63.625 62.100 -0.047 0.000 1.144 364 T CB -0.470 68.386 68.868 -0.020 0.000 0.866 364 T HN 0.603 nan 8.240 nan 0.000 0.434 365 A N 1.020 123.784 122.820 -0.094 0.000 1.902 365 A HA -0.063 4.214 4.320 -0.071 0.000 0.217 365 A C 2.584 179.990 177.584 -0.297 0.000 1.181 365 A CA 1.389 53.336 52.037 -0.149 0.000 0.623 365 A CB -1.058 17.891 19.000 -0.085 0.000 0.818 365 A HN 0.354 nan 8.150 nan 0.000 0.443 366 V N -0.302 119.421 119.914 -0.319 0.000 2.343 366 V HA -0.225 3.852 4.120 -0.071 0.000 0.247 366 V C 2.733 178.480 176.094 -0.578 0.000 1.051 366 V CA 2.464 64.417 62.300 -0.579 0.000 1.036 366 V CB -1.213 30.445 31.823 -0.275 0.000 0.654 366 V HN 0.614 nan 8.190 nan 0.000 0.451 367 T N -0.215 114.157 114.554 -0.303 0.000 2.788 367 T HA -0.143 4.164 4.350 -0.071 0.000 0.268 367 T C 1.936 176.495 174.700 -0.234 0.000 1.044 367 T CA 1.512 63.480 62.100 -0.220 0.000 1.139 367 T CB -0.153 68.645 68.868 -0.116 0.000 0.867 367 T HN 0.280 nan 8.240 nan 0.000 0.454 368 V N 1.140 120.913 119.914 -0.235 0.000 2.307 368 V HA -0.085 3.992 4.120 -0.071 0.000 0.245 368 V C 2.370 178.317 176.094 -0.244 0.000 1.045 368 V CA 1.299 63.483 62.300 -0.193 0.000 1.024 368 V CB -0.524 31.201 31.823 -0.163 0.000 0.651 368 V HN 0.320 nan 8.190 nan 0.000 0.449 369 L N 0.312 121.293 121.223 -0.403 0.000 2.141 369 L HA -0.025 4.272 4.340 -0.071 0.000 0.209 369 L C 2.539 179.187 176.870 -0.370 0.000 1.094 369 L CA 2.006 56.600 54.840 -0.411 0.000 0.763 369 L CB -1.149 40.543 42.059 -0.612 0.000 0.908 369 L HN 0.281 nan 8.230 nan 0.000 0.437 370 A N -0.523 121.939 122.820 -0.596 0.000 1.969 370 A HA -0.057 4.220 4.320 -0.071 0.000 0.218 370 A C 2.430 179.982 177.584 -0.053 0.000 1.169 370 A CA 1.476 53.357 52.037 -0.260 0.000 0.635 370 A CB -1.218 17.644 19.000 -0.229 0.000 0.810 370 A HN 0.417 nan 8.150 nan 0.000 0.445 371 G N -0.061 108.681 108.800 -0.097 0.000 2.422 371 G HA2 -0.140 3.777 3.960 -0.071 0.000 0.218 371 G HA3 -0.140 3.777 3.960 -0.071 0.000 0.218 371 G C 1.475 176.374 174.900 -0.003 0.000 1.146 371 G CA 1.194 46.271 45.100 -0.038 0.000 0.769 371 G HN 0.498 nan 8.290 nan 0.000 0.547 372 L N 1.469 122.686 121.223 -0.011 0.000 1.994 372 L HA 0.116 4.413 4.340 -0.071 0.000 0.208 372 L C 3.043 179.954 176.870 0.068 0.000 1.071 372 L CA 2.365 57.221 54.840 0.027 0.000 0.745 372 L CB -0.856 41.211 42.059 0.013 0.000 0.892 372 L HN 0.223 nan 8.230 nan 0.000 0.431 373 A N -0.859 122.027 122.820 0.110 0.000 1.908 373 A HA -0.241 4.036 4.320 -0.071 0.000 0.218 373 A C 2.327 179.967 177.584 0.094 0.000 1.181 373 A CA 1.765 53.885 52.037 0.138 0.000 0.627 373 A CB -0.819 18.323 19.000 0.237 0.000 0.818 373 A HN 0.607 nan 8.150 nan 0.000 0.445 374 E N -0.052 120.197 120.200 0.082 0.000 2.077 374 E HA -0.207 4.101 4.350 -0.071 0.000 0.193 374 E C 2.063 178.694 176.600 0.052 0.000 0.989 374 E CA 0.945 57.382 56.400 0.062 0.000 0.800 374 E CB -0.222 29.509 29.700 0.051 0.000 0.746 374 E HN 0.375 nan 8.360 nan 0.000 0.452 375 R N 0.325 120.854 120.500 0.047 0.000 2.148 375 R HA -0.030 4.267 4.340 -0.071 0.000 0.223 375 R C 2.376 178.703 176.300 0.046 0.000 1.088 375 R CA 0.816 56.941 56.100 0.042 0.000 0.985 375 R CB -0.375 29.948 30.300 0.038 0.000 0.880 375 R HN 0.405 nan 8.270 nan 0.000 0.451 376 Q N -0.004 119.830 119.800 0.055 0.000 2.079 376 Q HA -0.034 4.263 4.340 -0.071 0.000 0.200 376 Q C 2.174 178.197 176.000 0.038 0.000 0.974 376 Q CA 1.116 56.953 55.803 0.055 0.000 0.840 376 Q CB -0.078 28.702 28.738 0.071 0.000 0.898 376 Q HN 0.297 nan 8.270 nan 0.000 0.430 377 I N 0.636 121.228 120.570 0.037 0.000 2.252 377 I HA -0.250 3.877 4.170 -0.071 0.000 0.245 377 I C 2.392 178.534 176.117 0.041 0.000 1.102 377 I CA 0.904 62.219 61.300 0.025 0.000 1.385 377 I CB -0.366 37.652 38.000 0.031 0.000 1.064 377 I HN 0.146 nan 8.210 nan 0.000 0.414 378 A N 0.717 123.566 122.820 0.050 0.000 1.972 378 A HA -0.236 4.041 4.320 -0.071 0.000 0.219 378 A C 2.432 180.032 177.584 0.027 0.000 1.169 378 A CA 1.809 53.880 52.037 0.055 0.000 0.635 378 A CB -0.576 18.454 19.000 0.051 0.000 0.810 378 A HN 0.403 nan 8.150 nan 0.000 0.446 379 R N -0.990 119.520 120.500 0.016 0.000 2.066 379 R HA 0.011 4.309 4.340 -0.071 0.000 0.224 379 R C 2.014 178.302 176.300 -0.019 0.000 1.122 379 R CA 1.229 57.328 56.100 -0.002 0.000 0.974 379 R CB -0.409 29.897 30.300 0.010 0.000 0.871 379 R HN 0.372 nan 8.270 nan 0.000 0.435 380 L N 1.350 122.567 121.223 -0.010 0.000 2.079 380 L HA -0.122 4.175 4.340 -0.071 0.000 0.210 380 L C 1.954 178.797 176.870 -0.045 0.000 1.081 380 L CA 2.484 57.311 54.840 -0.023 0.000 0.752 380 L CB -0.529 41.518 42.059 -0.020 0.000 0.896 380 L HN 0.456 nan 8.230 nan 0.000 0.433 381 T N -4.198 110.330 114.554 -0.043 0.000 3.107 381 T HA 0.030 4.338 4.350 -0.071 0.000 0.249 381 T C 0.715 175.203 174.700 -0.354 0.000 1.096 381 T CA -0.100 61.946 62.100 -0.091 0.000 1.012 381 T CB -0.466 68.472 68.868 0.117 0.000 0.977 381 T HN 0.265 nan 8.240 nan 0.000 0.527 382 D N 2.547 122.807 120.400 -0.233 0.000 2.347 382 D HA 0.080 4.677 4.640 -0.071 0.000 0.235 382 D C 1.308 177.484 176.300 -0.206 0.000 1.149 382 D CA -0.322 53.520 54.000 -0.265 0.000 0.850 382 D CB 1.330 42.058 40.800 -0.121 0.000 1.061 382 D HN 0.605 nan 8.370 nan 0.000 0.487 383 E N 3.356 123.408 120.200 -0.246 0.000 2.267 383 E HA -0.208 4.100 4.350 -0.071 0.000 0.197 383 E C 1.072 177.623 176.600 -0.082 0.000 0.998 383 E CA 0.814 57.132 56.400 -0.137 0.000 0.830 383 E CB 0.071 29.705 29.700 -0.111 0.000 0.751 383 E HN 0.374 nan 8.360 nan 0.000 0.491 384 R N 0.046 120.500 120.500 -0.078 0.000 2.240 384 R HA 0.155 4.452 4.340 -0.071 0.000 0.203 384 R C 1.838 178.112 176.300 -0.044 0.000 1.011 384 R CA 0.631 56.702 56.100 -0.048 0.000 1.007 384 R CB 0.141 30.418 30.300 -0.038 0.000 0.911 384 R HN 0.281 nan 8.270 nan 0.000 0.468 385 L N 0.138 121.329 121.223 -0.053 0.000 2.749 385 L HA 0.107 4.404 4.340 -0.071 0.000 0.242 385 L C 0.693 177.541 176.870 -0.038 0.000 1.103 385 L CA -0.078 54.737 54.840 -0.041 0.000 0.906 385 L CB 0.096 42.133 42.059 -0.037 0.000 1.228 385 L HN 0.125 nan 8.230 nan 0.000 0.517 386 N N 0.915 119.586 118.700 -0.049 0.000 2.362 386 N HA -0.050 4.647 4.740 -0.071 0.000 0.204 386 N C 0.015 175.507 175.510 -0.030 0.000 1.166 386 N CA -0.256 52.770 53.050 -0.039 0.000 0.831 386 N CB -0.218 38.238 38.487 -0.051 0.000 1.008 386 N HN 0.074 nan 8.380 nan 0.000 0.472 387 R N -0.431 120.052 120.500 -0.028 0.000 3.188 387 R HA -0.170 4.127 4.340 -0.071 0.000 0.247 387 R C 0.793 177.081 176.300 -0.020 0.000 0.918 387 R CA 0.487 56.574 56.100 -0.022 0.000 0.629 387 R CB -2.076 28.213 30.300 -0.019 0.000 1.087 387 R HN 0.634 nan 8.270 nan 0.000 0.462 388 G N -0.937 107.850 108.800 -0.021 0.000 2.194 388 G HA2 -0.303 3.614 3.960 -0.071 0.000 0.236 388 G HA3 -0.303 3.614 3.960 -0.071 0.000 0.236 388 G C 0.268 175.158 174.900 -0.018 0.000 0.987 388 G CA 0.070 45.160 45.100 -0.017 0.000 0.635 388 G HN 0.273 nan 8.290 nan 0.000 0.520 389 L N 1.507 122.716 121.223 -0.024 0.000 2.453 389 L HA 0.429 4.726 4.340 -0.071 0.000 0.261 389 L C -1.623 175.231 176.870 -0.027 0.000 1.179 389 L CA -2.019 52.806 54.840 -0.025 0.000 0.813 389 L CB 0.655 42.700 42.059 -0.024 0.000 1.110 389 L HN -0.089 nan 8.230 nan 0.000 0.466 390 P HA 0.051 nan 4.420 nan 0.000 0.269 390 P C -2.474 174.852 177.300 0.044 0.000 1.209 390 P CA -0.919 62.176 63.100 -0.008 0.000 0.776 390 P CB -0.132 31.458 31.700 -0.184 0.000 0.876 391 P HA -0.021 nan 4.420 nan 0.000 0.263 391 P C -0.249 177.110 177.300 0.098 0.000 1.195 391 P CA 0.382 63.436 63.100 -0.076 0.000 0.762 391 P CB -0.181 31.531 31.700 0.020 0.000 0.799 392 F N 1.652 121.700 119.950 0.163 0.000 3.069 392 F HA -0.244 4.239 4.527 -0.072 0.000 0.285 392 F C 1.307 177.280 175.800 0.289 0.000 0.827 392 F CA 0.353 58.474 58.000 0.201 0.000 1.108 392 F CB -2.624 36.483 39.000 0.180 0.000 1.252 392 F HN 0.274 nan 8.300 nan 0.000 0.483 393 L N -1.646 119.743 121.223 0.277 0.000 3.737 393 L HA -0.312 3.985 4.340 -0.071 0.000 0.418 393 L C 1.277 178.298 176.870 0.252 0.000 1.216 393 L CA 1.036 56.018 54.840 0.236 0.000 0.915 393 L CB -1.994 40.230 42.059 0.275 0.000 1.834 393 L HN 0.698 nan 8.230 nan 0.000 0.943 394 H N 0.409 119.598 119.070 0.198 0.000 2.607 394 H HA 0.672 5.185 4.556 -0.072 0.000 0.367 394 H C 0.255 175.633 175.328 0.084 0.000 1.181 394 H CA -0.487 55.631 56.048 0.118 0.000 1.402 394 H CB 0.944 30.768 29.762 0.104 0.000 1.474 394 H HN 0.299 nan 8.280 nan 0.000 0.596 395 R N 0.035 120.537 120.500 0.004 0.000 2.892 395 R HA 0.486 4.783 4.340 -0.071 0.000 0.265 395 R C -0.310 176.080 176.300 0.150 0.000 1.025 395 R CA -0.263 55.815 56.100 -0.036 0.000 0.982 395 R CB 2.035 32.336 30.300 0.001 0.000 1.185 395 R HN 1.096 nan 8.270 nan 0.000 0.484 396 G N 1.284 110.148 108.800 0.107 0.000 2.796 396 G HA2 -0.180 3.737 3.960 -0.071 0.000 0.571 396 G HA3 -0.180 3.737 3.960 -0.071 0.000 0.571 396 G C -2.742 172.283 174.900 0.208 0.000 1.370 396 G CA -1.244 43.932 45.100 0.127 0.000 0.856 396 G HN 0.377 nan 8.290 nan 0.000 0.538 397 P HA 0.448 nan 4.420 nan 0.000 0.265 397 P C 0.445 177.767 177.300 0.036 0.000 1.193 397 P CA 0.803 63.964 63.100 0.103 0.000 0.765 397 P CB 0.696 32.423 31.700 0.044 0.000 0.823 398 A N 3.323 126.148 122.820 0.009 0.000 2.445 398 A HA 0.473 4.751 4.320 -0.071 0.000 0.242 398 A C 1.603 179.069 177.584 -0.195 0.000 1.075 398 A CA 0.805 52.638 52.037 -0.340 0.000 0.777 398 A CB -1.012 17.919 19.000 -0.116 0.000 1.013 398 A HN 0.812 nan 8.150 nan 0.000 0.493 399 G N 0.286 108.950 108.800 -0.226 0.000 3.329 399 G HA2 -0.271 3.646 3.960 -0.071 0.000 0.220 399 G HA3 -0.271 3.646 3.960 -0.071 0.000 0.220 399 G C 1.040 175.884 174.900 -0.094 0.000 1.358 399 G CA 0.826 45.860 45.100 -0.110 0.000 0.856 399 G HN 1.492 nan 8.290 nan 0.000 0.551 400 L N 1.885 123.061 121.223 -0.079 0.000 2.131 400 L HA 0.277 4.575 4.340 -0.071 0.000 0.210 400 L C 0.822 177.658 176.870 -0.057 0.000 1.092 400 L CA 1.661 56.471 54.840 -0.050 0.000 0.759 400 L CB -0.283 41.761 42.059 -0.025 0.000 0.903 400 L HN 0.496 nan 8.230 nan 0.000 0.435 401 N N -1.779 116.866 118.700 -0.092 0.000 2.269 401 N HA 0.261 4.959 4.740 -0.071 0.000 0.304 401 N C -0.032 175.395 175.510 -0.138 0.000 1.072 401 N CA -0.076 52.931 53.050 -0.072 0.000 0.802 401 N CB 2.041 40.547 38.487 0.032 0.000 1.348 401 N HN -0.149 nan 8.380 nan 0.000 0.484 402 S N -0.037 115.623 115.700 -0.067 0.000 2.603 402 S HA 0.262 4.690 4.470 -0.071 0.000 0.232 402 S C 1.212 175.845 174.600 0.055 0.000 1.016 402 S CA 0.064 58.235 58.200 -0.049 0.000 0.976 402 S CB 0.548 63.670 63.200 -0.130 0.000 0.921 402 S HN 0.936 nan 8.310 nan 0.000 0.516 403 G N 2.448 111.276 108.800 0.046 0.000 2.629 403 G HA2 -0.343 3.575 3.960 -0.071 0.000 0.313 403 G HA3 -0.343 3.575 3.960 -0.071 0.000 0.313 403 G C 0.227 175.017 174.900 -0.183 0.000 1.217 403 G CA 0.772 45.859 45.100 -0.021 0.000 0.994 403 G HN 0.454 nan 8.290 nan 0.000 0.549 404 F N 1.329 121.362 119.950 0.138 0.000 2.664 404 F HA 0.470 4.959 4.527 -0.064 0.000 0.301 404 F C 2.411 178.234 175.800 0.038 0.000 1.126 404 F CA 0.928 58.982 58.000 0.090 0.000 1.373 404 F CB 0.115 39.186 39.000 0.118 0.000 1.042 404 F HN 0.329 nan 8.300 nan 0.000 0.535 405 M N 0.106 119.698 119.600 -0.014 0.000 2.106 405 M HA -0.153 4.285 4.480 -0.071 0.000 0.259 405 M C 2.397 178.570 176.300 -0.212 0.000 1.068 405 M CA 2.266 57.290 55.300 -0.460 0.000 1.100 405 M CB -0.473 31.580 32.600 -0.910 0.000 1.351 405 M HN 0.317 nan 8.290 nan 0.000 0.404 406 G N -0.907 107.823 108.800 -0.116 0.000 2.394 406 G HA2 -0.096 3.821 3.960 -0.071 0.000 0.215 406 G HA3 -0.096 3.821 3.960 -0.071 0.000 0.215 406 G C 1.480 176.384 174.900 0.008 0.000 1.165 406 G CA 0.734 45.797 45.100 -0.062 0.000 0.784 406 G HN 0.618 nan 8.290 nan 0.000 0.535 407 A N -0.018 122.845 122.820 0.072 0.000 1.933 407 A HA -0.093 4.184 4.320 -0.071 0.000 0.218 407 A C 2.272 179.920 177.584 0.107 0.000 1.175 407 A CA 2.028 54.137 52.037 0.120 0.000 0.628 407 A CB -0.407 18.745 19.000 0.254 0.000 0.814 407 A HN 0.381 nan 8.150 nan 0.000 0.444 408 Q N 0.084 119.961 119.800 0.129 0.000 2.084 408 Q HA -0.116 4.181 4.340 -0.071 0.000 0.202 408 Q C 2.094 178.142 176.000 0.080 0.000 0.978 408 Q CA 2.028 57.907 55.803 0.126 0.000 0.844 408 Q CB -0.305 28.561 28.738 0.214 0.000 0.898 408 Q HN 0.420 nan 8.270 nan 0.000 0.426 409 V N 0.547 120.489 119.914 0.046 0.000 2.427 409 V HA -0.201 3.876 4.120 -0.071 0.000 0.248 409 V C 2.365 178.476 176.094 0.028 0.000 1.051 409 V CA 2.012 64.329 62.300 0.028 0.000 1.048 409 V CB -0.796 31.025 31.823 -0.004 0.000 0.666 409 V HN 0.382 nan 8.190 nan 0.000 0.456 410 T N 0.440 115.011 114.554 0.028 0.000 2.720 410 T HA -0.193 4.114 4.350 -0.071 0.000 0.268 410 T C 2.057 176.778 174.700 0.034 0.000 1.037 410 T CA 1.650 63.766 62.100 0.027 0.000 1.144 410 T CB -0.389 68.496 68.868 0.028 0.000 0.864 410 T HN 0.578 nan 8.240 nan 0.000 0.444 411 A N 1.205 124.051 122.820 0.043 0.000 1.902 411 A HA -0.138 4.139 4.320 -0.071 0.000 0.217 411 A C 2.557 180.168 177.584 0.044 0.000 1.181 411 A CA 2.145 54.210 52.037 0.046 0.000 0.623 411 A CB -1.220 17.811 19.000 0.051 0.000 0.818 411 A HN 0.485 nan 8.150 nan 0.000 0.443 412 T N 0.301 114.880 114.554 0.042 0.000 2.746 412 T HA -0.007 4.301 4.350 -0.071 0.000 0.267 412 T C 2.215 176.932 174.700 0.028 0.000 1.039 412 T CA 1.541 63.663 62.100 0.036 0.000 1.142 412 T CB -0.448 68.442 68.868 0.037 0.000 0.866 412 T HN 0.601 nan 8.240 nan 0.000 0.444 413 A N 1.232 124.068 122.820 0.026 0.000 1.933 413 A HA 0.025 4.303 4.320 -0.071 0.000 0.218 413 A C 2.303 179.900 177.584 0.023 0.000 1.175 413 A CA 1.140 53.189 52.037 0.021 0.000 0.628 413 A CB -0.814 18.197 19.000 0.017 0.000 0.814 413 A HN 0.474 nan 8.150 nan 0.000 0.444 414 L N -1.154 120.086 121.223 0.029 0.000 2.056 414 L HA -0.155 4.142 4.340 -0.071 0.000 0.207 414 L C 2.566 179.456 176.870 0.034 0.000 1.078 414 L CA 1.184 56.044 54.840 0.034 0.000 0.749 414 L CB -0.540 41.545 42.059 0.043 0.000 0.901 414 L HN 0.482 nan 8.230 nan 0.000 0.433 415 L N 0.307 121.550 121.223 0.033 0.000 2.017 415 L HA -0.125 4.173 4.340 -0.071 0.000 0.208 415 L C 2.647 179.525 176.870 0.013 0.000 1.073 415 L CA 1.990 56.843 54.840 0.023 0.000 0.745 415 L CB -0.696 41.375 42.059 0.021 0.000 0.894 415 L HN 0.129 nan 8.230 nan 0.000 0.432 416 A N -0.795 122.033 122.820 0.015 0.000 1.940 416 A HA -0.290 3.988 4.320 -0.071 0.000 0.219 416 A C 2.330 179.921 177.584 0.011 0.000 1.176 416 A CA 1.911 53.954 52.037 0.011 0.000 0.631 416 A CB -0.769 18.238 19.000 0.012 0.000 0.814 416 A HN 0.653 nan 8.150 nan 0.000 0.446 417 E N -0.665 119.544 120.200 0.014 0.000 2.072 417 E HA -0.184 4.124 4.350 -0.071 0.000 0.191 417 E C 2.041 178.650 176.600 0.014 0.000 0.985 417 E CA 1.302 57.710 56.400 0.015 0.000 0.801 417 E CB -0.208 29.503 29.700 0.018 0.000 0.750 417 E HN 0.669 nan 8.360 nan 0.000 0.452 418 M N 0.046 119.654 119.600 0.015 0.000 2.108 418 M HA -0.188 4.250 4.480 -0.071 0.000 0.261 418 M C 2.335 178.637 176.300 0.002 0.000 1.066 418 M CA 1.615 56.921 55.300 0.010 0.000 1.107 418 M CB -0.206 32.395 32.600 0.003 0.000 1.356 418 M HN 0.029 nan 8.290 nan 0.000 0.406 419 R N 0.047 120.546 120.500 -0.001 0.000 2.193 419 R HA -0.054 4.243 4.340 -0.071 0.000 0.229 419 R C 2.206 178.509 176.300 0.005 0.000 1.110 419 R CA 1.171 57.269 56.100 -0.003 0.000 0.988 419 R CB -0.490 29.807 30.300 -0.005 0.000 0.871 419 R HN 0.385 nan 8.270 nan 0.000 0.458 420 A N 0.572 123.397 122.820 0.008 0.000 2.067 420 A HA -0.038 4.239 4.320 -0.071 0.000 0.219 420 A C 0.843 178.436 177.584 0.015 0.000 1.158 420 A CA 0.953 52.996 52.037 0.011 0.000 0.661 420 A CB 0.051 19.056 19.000 0.009 0.000 0.801 420 A HN 0.116 nan 8.150 nan 0.000 0.452 421 T N 0.103 114.667 114.554 0.017 0.000 2.767 421 T HA 0.547 4.854 4.350 -0.071 0.000 0.284 421 T C 0.475 175.195 174.700 0.034 0.000 0.973 421 T CA 0.063 62.178 62.100 0.025 0.000 0.996 421 T CB 1.522 70.404 68.868 0.023 0.000 0.927 421 T HN 0.375 nan 8.240 nan 0.000 0.456 422 G N 3.051 111.884 108.800 0.056 0.000 2.828 422 G HA2 0.665 4.582 3.960 -0.071 0.000 0.244 422 G HA3 0.665 4.582 3.960 -0.071 0.000 0.244 422 G C -2.635 172.313 174.900 0.080 0.000 1.365 422 G CA -1.569 43.569 45.100 0.062 0.000 1.041 422 G HN 0.436 nan 8.290 nan 0.000 0.560 423 P HA 0.265 nan 4.420 nan 0.000 0.267 423 P C 0.314 177.684 177.300 0.117 0.000 1.200 423 P CA 0.353 63.492 63.100 0.065 0.000 0.772 423 P CB 1.332 33.046 31.700 0.024 0.000 0.855 424 A N 1.873 124.762 122.820 0.115 0.000 2.044 424 A HA -0.034 4.243 4.320 -0.071 0.000 0.213 424 A C 2.059 179.724 177.584 0.134 0.000 1.169 424 A CA 0.984 53.128 52.037 0.178 0.000 0.724 424 A CB -0.999 18.070 19.000 0.115 0.000 0.840 424 A HN 0.472 nan 8.150 nan 0.000 0.463 425 S N 0.588 116.319 115.700 0.051 0.000 2.419 425 S HA -0.179 4.248 4.470 -0.071 0.000 0.235 425 S C 1.695 176.264 174.600 -0.051 0.000 1.019 425 S CA 1.561 59.768 58.200 0.012 0.000 0.982 425 S CB -0.676 62.529 63.200 0.009 0.000 0.789 425 S HN 0.794 nan 8.310 nan 0.000 0.490 426 I N -1.346 119.122 120.570 -0.170 0.000 3.444 426 I HA 0.051 4.178 4.170 -0.071 0.000 0.287 426 I C 0.712 176.603 176.117 -0.377 0.000 1.302 426 I CA 0.991 62.120 61.300 -0.286 0.000 1.368 426 I CB -0.342 37.437 38.000 -0.368 0.000 1.048 426 I HN 0.168 nan 8.210 nan 0.000 0.487 427 H N 1.260 120.341 119.070 0.018 0.000 2.524 427 H HA 0.304 4.816 4.556 -0.072 0.000 0.299 427 H C 0.646 175.986 175.328 0.019 0.000 1.074 427 H CA -0.214 55.844 56.048 0.017 0.000 1.115 427 H CB 0.107 29.880 29.762 0.017 0.000 1.522 427 H HN 0.301 nan 8.280 nan 0.000 0.543 428 S N 1.250 116.992 115.700 0.070 0.000 2.546 428 S HA 0.170 4.597 4.470 -0.071 0.000 0.290 428 S C 0.277 174.914 174.600 0.061 0.000 1.290 428 S CA -0.205 58.032 58.200 0.061 0.000 1.069 428 S CB -0.064 63.157 63.200 0.035 0.000 0.846 428 S HN 0.290 nan 8.310 nan 0.000 0.495 429 I N 3.534 124.139 120.570 0.059 0.000 2.533 429 I HA 0.222 4.349 4.170 -0.071 0.000 0.290 429 I C 0.093 176.236 176.117 0.043 0.000 1.056 429 I CA -0.627 60.703 61.300 0.050 0.000 1.057 429 I CB 2.128 40.159 38.000 0.051 0.000 1.240 429 I HN 0.585 nan 8.210 nan 0.000 0.423 430 S N 4.024 119.746 115.700 0.037 0.000 2.525 430 S HA 0.251 4.679 4.470 -0.071 0.000 0.285 430 S C -0.197 174.423 174.600 0.034 0.000 1.283 430 S CA 0.418 58.639 58.200 0.035 0.000 1.072 430 S CB 0.249 63.468 63.200 0.030 0.000 0.867 430 S HN 0.770 nan 8.310 nan 0.000 0.492 431 T N 3.113 117.689 114.554 0.036 0.000 2.654 431 T HA 0.413 4.721 4.350 -0.071 0.000 0.289 431 T C -0.365 174.356 174.700 0.035 0.000 1.062 431 T CA -0.134 61.986 62.100 0.034 0.000 1.041 431 T CB 0.802 69.691 68.868 0.035 0.000 1.417 431 T HN 0.905 nan 8.240 nan 0.000 0.510 432 N N 0.619 119.339 118.700 0.034 0.000 2.727 432 N HA -0.227 4.470 4.740 -0.071 0.000 0.251 432 N C 0.265 175.795 175.510 0.034 0.000 1.040 432 N CA 0.797 53.869 53.050 0.036 0.000 0.712 432 N CB -1.176 37.335 38.487 0.041 0.000 0.912 432 N HN 1.551 nan 8.380 nan 0.000 0.545 433 A N -0.557 122.280 122.820 0.028 0.000 2.745 433 A HA 0.011 4.289 4.320 -0.071 0.000 0.296 433 A C 1.353 178.953 177.584 0.027 0.000 1.500 433 A CA 2.032 54.084 52.037 0.025 0.000 0.766 433 A CB -2.255 16.759 19.000 0.023 0.000 1.030 433 A HN 2.254 nan 8.150 nan 0.000 0.489 434 A N -2.254 120.583 122.820 0.029 0.000 3.413 434 A HA -0.372 3.905 4.320 -0.071 0.000 0.268 434 A C 1.433 179.038 177.584 0.035 0.000 1.128 434 A CA 2.118 54.173 52.037 0.030 0.000 1.062 434 A CB -2.517 16.498 19.000 0.025 0.000 1.121 434 A HN 2.246 nan 8.150 nan 0.000 0.895 435 N N 0.039 118.762 118.700 0.039 0.000 2.142 435 N HA -0.099 4.599 4.740 -0.071 0.000 0.186 435 N C 0.972 176.513 175.510 0.053 0.000 1.023 435 N CA 1.872 54.950 53.050 0.046 0.000 0.852 435 N CB -0.180 38.338 38.487 0.052 0.000 0.998 435 N HN 0.753 nan 8.380 nan 0.000 0.424 436 Q N 0.629 120.460 119.800 0.052 0.000 3.006 436 Q HA 0.064 4.361 4.340 -0.071 0.000 0.260 436 Q C -0.420 175.612 176.000 0.054 0.000 1.356 436 Q CA -0.260 55.579 55.803 0.061 0.000 1.070 436 Q CB 0.517 29.287 28.738 0.052 0.000 1.507 436 Q HN 0.516 nan 8.270 nan 0.000 0.568 437 D N -0.367 120.062 120.400 0.050 0.000 2.348 437 D HA -0.071 4.526 4.640 -0.071 0.000 0.216 437 D C 0.649 176.974 176.300 0.040 0.000 0.970 437 D CA 0.368 54.392 54.000 0.040 0.000 0.889 437 D CB 0.130 40.950 40.800 0.033 0.000 0.912 437 D HN 0.214 nan 8.370 nan 0.000 0.524 438 V N -1.723 118.220 119.914 0.048 0.000 2.760 438 V HA 0.757 4.834 4.120 -0.071 0.000 0.309 438 V C -0.412 175.719 176.094 0.062 0.000 1.077 438 V CA -1.190 61.138 62.300 0.046 0.000 0.910 438 V CB 1.867 33.711 31.823 0.035 0.000 1.008 438 V HN 0.100 nan 8.190 nan 0.000 0.424 439 V N 1.000 120.949 119.914 0.059 0.000 2.962 439 V HA 0.783 4.860 4.120 -0.071 0.000 0.313 439 V C 1.048 177.179 176.094 0.062 0.000 1.099 439 V CA 0.263 62.605 62.300 0.071 0.000 0.971 439 V CB 1.437 33.299 31.823 0.066 0.000 1.028 439 V HN 1.315 nan 8.190 nan 0.000 0.430 440 S N 2.287 118.029 115.700 0.069 0.000 2.406 440 S HA 0.102 4.530 4.470 -0.071 0.000 0.224 440 S C 1.144 175.776 174.600 0.054 0.000 1.030 440 S CA 1.090 59.323 58.200 0.055 0.000 0.958 440 S CB -0.841 62.395 63.200 0.059 0.000 0.811 440 S HN 1.392 nan 8.310 nan 0.000 0.489 441 L N 0.397 121.655 121.223 0.060 0.000 4.040 441 L HA -0.193 4.104 4.340 -0.071 0.000 0.410 441 L C 1.477 178.380 176.870 0.055 0.000 1.187 441 L CA 0.033 54.909 54.840 0.060 0.000 0.956 441 L CB -2.266 39.838 42.059 0.074 0.000 2.022 441 L HN 0.541 nan 8.230 nan 0.000 0.897 442 G N -0.505 108.325 108.800 0.051 0.000 2.432 442 G HA2 -0.181 3.736 3.960 -0.071 0.000 0.219 442 G HA3 -0.181 3.736 3.960 -0.071 0.000 0.219 442 G C 1.273 176.200 174.900 0.044 0.000 1.135 442 G CA 1.342 46.469 45.100 0.045 0.000 0.767 442 G HN 0.465 nan 8.290 nan 0.000 0.550 443 T N 1.341 115.920 114.554 0.042 0.000 2.777 443 T HA -0.019 4.289 4.350 -0.071 0.000 0.266 443 T C 2.377 177.101 174.700 0.039 0.000 1.040 443 T CA 0.894 63.015 62.100 0.036 0.000 1.141 443 T CB -0.117 68.768 68.868 0.029 0.000 0.868 443 T HN 0.262 nan 8.240 nan 0.000 0.444 444 I N 1.643 122.238 120.570 0.042 0.000 2.179 444 I HA -0.168 3.959 4.170 -0.071 0.000 0.242 444 I C 3.010 179.157 176.117 0.051 0.000 1.088 444 I CA 1.110 62.436 61.300 0.043 0.000 1.357 444 I CB -0.546 37.482 38.000 0.046 0.000 1.051 444 I HN 0.204 nan 8.210 nan 0.000 0.409 445 A N 0.812 123.667 122.820 0.058 0.000 1.908 445 A HA -0.221 4.057 4.320 -0.071 0.000 0.218 445 A C 2.539 180.161 177.584 0.064 0.000 1.181 445 A CA 2.097 54.172 52.037 0.063 0.000 0.627 445 A CB -0.915 18.122 19.000 0.062 0.000 0.818 445 A HN 0.447 nan 8.150 nan 0.000 0.445 446 A N -0.493 122.366 122.820 0.064 0.000 1.930 446 A HA -0.138 4.139 4.320 -0.071 0.000 0.217 446 A C 2.248 179.871 177.584 0.066 0.000 1.175 446 A CA 1.495 53.577 52.037 0.074 0.000 0.627 446 A CB -0.429 18.613 19.000 0.070 0.000 0.815 446 A HN 0.554 nan 8.150 nan 0.000 0.443 447 R N -0.540 119.993 120.500 0.054 0.000 2.092 447 R HA 0.013 4.310 4.340 -0.071 0.000 0.231 447 R C 2.001 178.330 176.300 0.049 0.000 1.119 447 R CA 1.317 57.446 56.100 0.048 0.000 0.970 447 R CB -0.449 29.873 30.300 0.037 0.000 0.864 447 R HN 0.503 nan 8.270 nan 0.000 0.440 448 L N -0.278 120.973 121.223 0.048 0.000 2.093 448 L HA -0.219 4.078 4.340 -0.071 0.000 0.208 448 L C 2.758 179.657 176.870 0.048 0.000 1.085 448 L CA 0.778 55.645 54.840 0.045 0.000 0.755 448 L CB -0.543 41.544 42.059 0.046 0.000 0.904 448 L HN 0.372 nan 8.230 nan 0.000 0.435 449 C N 0.450 119.782 119.300 0.053 0.000 2.429 449 C HA -0.177 4.241 4.460 -0.071 0.000 0.277 449 C C 3.121 178.149 174.990 0.064 0.000 1.262 449 C CA 1.041 60.090 59.018 0.051 0.000 1.733 449 C CB -0.554 27.217 27.740 0.051 0.000 2.010 449 C HN 0.509 nan 8.230 nan 0.000 0.483 450 R N 1.200 121.742 120.500 0.070 0.000 2.091 450 R HA -0.098 4.200 4.340 -0.071 0.000 0.238 450 R C 2.118 178.466 176.300 0.079 0.000 1.136 450 R CA 2.081 58.229 56.100 0.080 0.000 0.959 450 R CB -0.767 29.579 30.300 0.075 0.000 0.856 450 R HN 0.533 nan 8.270 nan 0.000 0.437 451 E N 0.710 120.949 120.200 0.065 0.000 2.110 451 E HA -0.183 4.124 4.350 -0.071 0.000 0.193 451 E C 1.846 178.488 176.600 0.071 0.000 0.988 451 E CA 1.379 57.816 56.400 0.061 0.000 0.804 451 E CB -0.092 29.636 29.700 0.046 0.000 0.745 451 E HN 0.453 nan 8.360 nan 0.000 0.458 452 K N 0.305 120.747 120.400 0.071 0.000 2.057 452 K HA -0.017 4.261 4.320 -0.071 0.000 0.206 452 K C 2.318 179.005 176.600 0.146 0.000 1.050 452 K CA 0.762 57.095 56.287 0.077 0.000 0.935 452 K CB -0.122 32.401 32.500 0.037 0.000 0.715 452 K HN 0.084 nan 8.250 nan 0.000 0.439 453 I N 1.580 122.249 120.570 0.166 0.000 2.264 453 I HA -0.296 3.831 4.170 -0.071 0.000 0.248 453 I C 1.602 177.842 176.117 0.204 0.000 1.111 453 I CA 1.194 62.650 61.300 0.260 0.000 1.382 453 I CB -0.271 37.848 38.000 0.199 0.000 1.060 453 I HN 0.162 nan 8.210 nan 0.000 0.418 454 D N 0.540 121.017 120.400 0.129 0.000 2.117 454 D HA -0.126 4.471 4.640 -0.071 0.000 0.198 454 D C 2.335 178.689 176.300 0.091 0.000 0.982 454 D CA 0.920 54.971 54.000 0.086 0.000 0.828 454 D CB -0.224 40.616 40.800 0.066 0.000 0.967 454 D HN 0.183 nan 8.370 nan 0.000 0.464 455 R N -0.004 120.565 120.500 0.114 0.000 2.092 455 R HA -0.121 4.177 4.340 -0.071 0.000 0.231 455 R C 2.128 178.537 176.300 0.180 0.000 1.119 455 R CA 0.472 56.639 56.100 0.111 0.000 0.970 455 R CB -1.038 29.318 30.300 0.093 0.000 0.864 455 R HN 0.348 nan 8.270 nan 0.000 0.440 456 W N 1.849 123.148 121.300 -0.002 0.000 2.358 456 W HA -0.094 4.503 4.660 -0.104 0.000 0.303 456 W C 2.097 178.605 176.519 -0.018 0.000 1.208 456 W CA 1.396 58.740 57.345 -0.003 0.000 1.274 456 W CB -0.620 28.845 29.460 0.009 0.000 1.138 456 W HN 0.136 nan 8.180 nan 0.000 0.515 457 A N 0.141 122.967 122.820 0.010 0.000 1.933 457 A HA -0.221 4.057 4.320 -0.071 0.000 0.218 457 A C 1.864 179.365 177.584 -0.139 0.000 1.175 457 A CA 1.949 53.876 52.037 -0.184 0.000 0.628 457 A CB -0.770 18.145 19.000 -0.142 0.000 0.814 457 A HN 0.444 nan 8.150 nan 0.000 0.444 458 E N -0.370 119.805 120.200 -0.043 0.000 2.106 458 E HA -0.096 4.211 4.350 -0.071 0.000 0.192 458 E C 1.820 178.402 176.600 -0.029 0.000 0.984 458 E CA 1.096 57.471 56.400 -0.040 0.000 0.806 458 E CB -0.231 29.469 29.700 0.000 0.000 0.750 458 E HN 0.701 nan 8.360 nan 0.000 0.458 459 I N 0.723 121.311 120.570 0.030 0.000 2.252 459 I HA -0.258 3.870 4.170 -0.071 0.000 0.245 459 I C 2.185 178.309 176.117 0.012 0.000 1.102 459 I CA 0.916 62.250 61.300 0.057 0.000 1.385 459 I CB -0.115 37.976 38.000 0.151 0.000 1.064 459 I HN 0.115 nan 8.210 nan 0.000 0.414 460 L N 0.428 121.629 121.223 -0.037 0.000 2.083 460 L HA -0.185 4.112 4.340 -0.071 0.000 0.209 460 L C 2.831 179.591 176.870 -0.184 0.000 1.083 460 L CA 1.188 55.962 54.840 -0.110 0.000 0.752 460 L CB -0.654 41.249 42.059 -0.259 0.000 0.899 460 L HN 0.237 nan 8.230 nan 0.000 0.433 461 A N 0.406 123.088 122.820 -0.231 0.000 1.902 461 A HA -0.196 4.081 4.320 -0.071 0.000 0.217 461 A C 2.203 179.661 177.584 -0.211 0.000 1.181 461 A CA 1.595 53.463 52.037 -0.282 0.000 0.623 461 A CB -0.648 18.199 19.000 -0.254 0.000 0.818 461 A HN 0.351 nan 8.150 nan 0.000 0.443 462 I N -0.881 119.612 120.570 -0.127 0.000 2.179 462 I HA -0.231 3.896 4.170 -0.071 0.000 0.242 462 I C 2.431 178.465 176.117 -0.138 0.000 1.088 462 I CA 1.263 62.508 61.300 -0.092 0.000 1.357 462 I CB -0.301 37.685 38.000 -0.024 0.000 1.051 462 I HN 0.398 nan 8.210 nan 0.000 0.409 463 L N 1.244 122.408 121.223 -0.099 0.000 2.046 463 L HA -0.165 4.133 4.340 -0.071 0.000 0.208 463 L C 2.542 179.347 176.870 -0.108 0.000 1.077 463 L CA 2.135 56.924 54.840 -0.086 0.000 0.747 463 L CB -0.802 41.249 42.059 -0.012 0.000 0.896 463 L HN 0.192 nan 8.230 nan 0.000 0.432 464 A N -0.513 122.240 122.820 -0.111 0.000 1.877 464 A HA -0.167 4.110 4.320 -0.071 0.000 0.216 464 A C 2.266 179.772 177.584 -0.128 0.000 1.186 464 A CA 2.002 53.989 52.037 -0.082 0.000 0.620 464 A CB -0.896 18.015 19.000 -0.147 0.000 0.822 464 A HN 0.505 nan 8.150 nan 0.000 0.443 465 L N -0.895 120.205 121.223 -0.205 0.000 2.046 465 L HA -0.243 4.055 4.340 -0.071 0.000 0.208 465 L C 2.752 179.401 176.870 -0.368 0.000 1.077 465 L CA 1.258 55.983 54.840 -0.190 0.000 0.747 465 L CB -0.737 41.261 42.059 -0.100 0.000 0.896 465 L HN 0.491 nan 8.230 nan 0.000 0.432 466 C N -0.134 118.806 119.300 -0.599 0.000 2.429 466 C HA -0.151 4.266 4.460 -0.071 0.000 0.277 466 C C 2.759 177.549 174.990 -0.332 0.000 1.262 466 C CA 0.529 59.078 59.018 -0.782 0.000 1.733 466 C CB -0.770 26.638 27.740 -0.554 0.000 2.010 466 C HN 0.430 nan 8.230 nan 0.000 0.483 467 L N 0.850 121.967 121.223 -0.178 0.000 2.141 467 L HA -0.132 4.165 4.340 -0.071 0.000 0.209 467 L C 2.836 179.692 176.870 -0.024 0.000 1.094 467 L CA 1.402 56.204 54.840 -0.064 0.000 0.763 467 L CB -0.668 41.385 42.059 -0.009 0.000 0.908 467 L HN 0.348 nan 8.230 nan 0.000 0.437 468 A N -0.288 122.521 122.820 -0.019 0.000 1.877 468 A HA -0.287 3.990 4.320 -0.071 0.000 0.216 468 A C 2.213 179.825 177.584 0.046 0.000 1.186 468 A CA 1.911 53.969 52.037 0.035 0.000 0.620 468 A CB -0.508 18.528 19.000 0.060 0.000 0.822 468 A HN 0.413 nan 8.150 nan 0.000 0.443 469 Q N -0.316 119.512 119.800 0.046 0.000 2.046 469 Q HA -0.023 4.274 4.340 -0.071 0.000 0.200 469 Q C 2.070 178.105 176.000 0.059 0.000 0.975 469 Q CA 2.121 57.988 55.803 0.106 0.000 0.836 469 Q CB -0.513 28.379 28.738 0.256 0.000 0.896 469 Q HN 0.546 nan 8.270 nan 0.000 0.428 470 A N 0.366 123.193 122.820 0.011 0.000 1.933 470 A HA -0.092 4.185 4.320 -0.071 0.000 0.218 470 A C 2.286 179.878 177.584 0.014 0.000 1.175 470 A CA 1.785 53.826 52.037 0.006 0.000 0.628 470 A CB -1.164 17.824 19.000 -0.020 0.000 0.814 470 A HN 0.553 nan 8.150 nan 0.000 0.444 471 A N -0.101 122.730 122.820 0.019 0.000 1.902 471 A HA -0.165 4.112 4.320 -0.071 0.000 0.217 471 A C 1.913 179.513 177.584 0.027 0.000 1.181 471 A CA 1.615 53.667 52.037 0.026 0.000 0.623 471 A CB -0.483 18.537 19.000 0.033 0.000 0.818 471 A HN 0.647 nan 8.150 nan 0.000 0.443 472 E N -0.253 119.968 120.200 0.034 0.000 2.152 472 E HA -0.053 4.254 4.350 -0.071 0.000 0.192 472 E C 1.877 178.492 176.600 0.024 0.000 0.983 472 E CA 0.798 57.218 56.400 0.033 0.000 0.818 472 E CB -0.223 29.504 29.700 0.045 0.000 0.758 472 E HN 0.605 nan 8.360 nan 0.000 0.467 473 L N 0.428 121.664 121.223 0.022 0.000 2.109 473 L HA -0.117 4.180 4.340 -0.071 0.000 0.207 473 L C 2.615 179.487 176.870 0.003 0.000 1.086 473 L CA 0.823 55.667 54.840 0.008 0.000 0.760 473 L CB -0.112 41.948 42.059 0.002 0.000 0.910 473 L HN 0.012 nan 8.230 nan 0.000 0.437 474 R N -0.208 120.296 120.500 0.007 0.000 2.066 474 R HA -0.030 4.268 4.340 -0.071 0.000 0.224 474 R C 1.742 178.047 176.300 0.008 0.000 1.122 474 R CA 1.546 57.650 56.100 0.005 0.000 0.974 474 R CB -0.368 29.936 30.300 0.006 0.000 0.871 474 R HN 0.329 nan 8.270 nan 0.000 0.435 475 C N 0.452 119.760 119.300 0.013 0.000 2.974 475 C HA 0.654 5.072 4.460 -0.071 0.000 0.282 475 C C 0.617 175.616 174.990 0.015 0.000 1.292 475 C CA -0.388 58.639 59.018 0.014 0.000 1.710 475 C CB -0.835 26.915 27.740 0.017 0.000 2.036 475 C HN 0.749 nan 8.230 nan 0.000 0.629 476 G N 1.783 110.592 108.800 0.015 0.000 2.814 476 G HA2 -0.168 3.749 3.960 -0.071 0.000 0.677 476 G HA3 -0.168 3.749 3.960 -0.071 0.000 0.677 476 G C 0.738 175.650 174.900 0.020 0.000 1.429 476 G CA 0.054 45.163 45.100 0.015 0.000 0.868 476 G HN 0.791 nan 8.290 nan 0.000 0.553 477 S N -0.708 115.005 115.700 0.021 0.000 2.419 477 S HA 0.039 4.467 4.470 -0.071 0.000 0.235 477 S C 2.402 177.017 174.600 0.024 0.000 1.019 477 S CA 1.884 60.099 58.200 0.025 0.000 0.982 477 S CB -0.216 62.998 63.200 0.023 0.000 0.789 477 S HN 2.151 nan 8.310 nan 0.000 0.490 478 G N 0.867 109.679 108.800 0.020 0.000 2.744 478 G HA2 0.333 4.250 3.960 -0.071 0.000 0.211 478 G HA3 0.333 4.250 3.960 -0.071 0.000 0.211 478 G C 0.533 175.446 174.900 0.021 0.000 1.143 478 G CA -0.072 45.039 45.100 0.019 0.000 0.788 478 G HN 0.595 nan 8.290 nan 0.000 0.534 479 L N 0.917 122.153 121.223 0.022 0.000 3.677 479 L HA -0.142 4.155 4.340 -0.071 0.000 0.464 479 L C -0.900 175.982 176.870 0.020 0.000 1.278 479 L CA -0.135 54.719 54.840 0.023 0.000 0.806 479 L CB -1.664 40.412 42.059 0.028 0.000 1.610 479 L HN 0.212 nan 8.230 nan 0.000 0.867 480 D N 1.349 121.760 120.400 0.017 0.000 2.417 480 D HA 0.305 4.902 4.640 -0.071 0.000 0.250 480 D C 1.344 177.653 176.300 0.015 0.000 1.166 480 D CA 1.368 55.377 54.000 0.015 0.000 0.881 480 D CB 1.372 42.180 40.800 0.013 0.000 1.164 480 D HN 0.549 nan 8.370 nan 0.000 0.467 481 G N 1.525 110.334 108.800 0.015 0.000 2.217 481 G HA2 -0.277 3.640 3.960 -0.071 0.000 0.246 481 G HA3 -0.277 3.640 3.960 -0.071 0.000 0.246 481 G C 0.440 175.352 174.900 0.019 0.000 0.990 481 G CA 0.019 45.128 45.100 0.016 0.000 0.627 481 G HN 0.514 nan 8.290 nan 0.000 0.522 482 V N 2.839 122.766 119.914 0.021 0.000 2.614 482 V HA 0.488 4.566 4.120 -0.071 0.000 0.291 482 V C 1.492 177.601 176.094 0.025 0.000 1.049 482 V CA 0.140 62.455 62.300 0.026 0.000 1.038 482 V CB 1.276 33.115 31.823 0.028 0.000 0.980 482 V HN 1.068 nan 8.190 nan 0.000 0.481 483 S N 5.435 121.152 115.700 0.029 0.000 2.560 483 S HA 0.086 4.514 4.470 -0.071 0.000 0.276 483 S C -1.693 172.920 174.600 0.021 0.000 1.350 483 S CA -0.514 57.702 58.200 0.027 0.000 1.024 483 S CB 0.271 63.492 63.200 0.035 0.000 0.864 483 S HN 0.584 nan 8.310 nan 0.000 0.536 484 P HA -0.032 nan 4.420 nan 0.000 0.216 484 P C 1.679 178.984 177.300 0.008 0.000 1.153 484 P CA 1.902 65.009 63.100 0.012 0.000 0.848 484 P CB -0.268 31.436 31.700 0.008 0.000 0.787 485 A N -0.185 122.637 122.820 0.004 0.000 1.902 485 A HA -0.092 4.185 4.320 -0.071 0.000 0.217 485 A C 2.490 180.073 177.584 -0.001 0.000 1.181 485 A CA 2.126 54.158 52.037 -0.008 0.000 0.623 485 A CB -1.906 17.084 19.000 -0.016 0.000 0.818 485 A HN 0.269 nan 8.150 nan 0.000 0.443 486 G N -0.373 108.436 108.800 0.016 0.000 2.421 486 G HA2 -0.237 3.680 3.960 -0.071 0.000 0.216 486 G HA3 -0.237 3.680 3.960 -0.071 0.000 0.216 486 G C 1.689 176.608 174.900 0.032 0.000 1.171 486 G CA 1.145 46.262 45.100 0.028 0.000 0.775 486 G HN 0.571 nan 8.290 nan 0.000 0.543 487 K N 0.189 120.606 120.400 0.028 0.000 2.026 487 K HA -0.066 4.211 4.320 -0.071 0.000 0.208 487 K C 2.455 179.074 176.600 0.032 0.000 1.048 487 K CA 1.353 57.658 56.287 0.030 0.000 0.929 487 K CB -0.148 32.366 32.500 0.024 0.000 0.713 487 K HN 0.246 nan 8.250 nan 0.000 0.439 488 K N 1.328 121.742 120.400 0.023 0.000 2.032 488 K HA -0.154 4.124 4.320 -0.071 0.000 0.209 488 K C 2.162 178.785 176.600 0.039 0.000 1.048 488 K CA 1.119 57.420 56.287 0.024 0.000 0.927 488 K CB -0.132 32.372 32.500 0.007 0.000 0.712 488 K HN 0.100 nan 8.250 nan 0.000 0.441 489 L N 0.593 121.837 121.223 0.035 0.000 1.994 489 L HA -0.193 4.104 4.340 -0.071 0.000 0.208 489 L C 2.106 179.046 176.870 0.117 0.000 1.071 489 L CA 1.270 56.151 54.840 0.069 0.000 0.745 489 L CB -0.219 41.864 42.059 0.041 0.000 0.892 489 L HN 0.035 nan 8.230 nan 0.000 0.431 490 V N -0.057 119.912 119.914 0.093 0.000 2.343 490 V HA -0.328 3.749 4.120 -0.071 0.000 0.247 490 V C 2.486 178.637 176.094 0.094 0.000 1.051 490 V CA 2.118 64.476 62.300 0.096 0.000 1.036 490 V CB -0.720 31.146 31.823 0.072 0.000 0.654 490 V HN 0.562 nan 8.190 nan 0.000 0.451 491 Q N -0.147 119.697 119.800 0.073 0.000 2.084 491 Q HA -0.161 4.136 4.340 -0.071 0.000 0.202 491 Q C 2.449 178.492 176.000 0.072 0.000 0.978 491 Q CA 1.704 57.545 55.803 0.063 0.000 0.844 491 Q CB -0.433 28.332 28.738 0.045 0.000 0.898 491 Q HN 0.676 nan 8.270 nan 0.000 0.426 492 A N 1.013 123.885 122.820 0.086 0.000 1.902 492 A HA -0.163 4.114 4.320 -0.071 0.000 0.217 492 A C 2.082 179.739 177.584 0.122 0.000 1.181 492 A CA 1.121 53.215 52.037 0.095 0.000 0.623 492 A CB -0.661 18.412 19.000 0.122 0.000 0.818 492 A HN 0.277 nan 8.150 nan 0.000 0.443 493 L N -1.175 120.153 121.223 0.175 0.000 2.056 493 L HA -0.138 4.159 4.340 -0.071 0.000 0.207 493 L C 2.668 179.684 176.870 0.244 0.000 1.078 493 L CA 0.928 55.922 54.840 0.257 0.000 0.749 493 L CB -0.436 41.759 42.059 0.227 0.000 0.901 493 L HN 0.253 nan 8.230 nan 0.000 0.433 494 R N 0.179 120.772 120.500 0.154 0.000 2.293 494 R HA -0.106 4.192 4.340 -0.071 0.000 0.219 494 R C 1.852 178.182 176.300 0.049 0.000 1.091 494 R CA 0.651 56.819 56.100 0.113 0.000 1.004 494 R CB -0.363 29.988 30.300 0.084 0.000 0.865 494 R HN 0.429 nan 8.270 nan 0.000 0.469 495 E N 0.215 120.428 120.200 0.021 0.000 2.274 495 E HA -0.107 4.200 4.350 -0.071 0.000 0.194 495 E C 1.336 177.868 176.600 -0.113 0.000 0.996 495 E CA 0.830 57.211 56.400 -0.033 0.000 0.840 495 E CB 0.354 30.038 29.700 -0.028 0.000 0.772 495 E HN 0.312 nan 8.360 nan 0.000 0.491 496 Q N -1.268 118.415 119.800 -0.194 0.000 2.288 496 Q HA 0.154 4.452 4.340 -0.071 0.000 0.256 496 Q C -0.191 175.381 176.000 -0.714 0.000 0.835 496 Q CA 0.175 55.676 55.803 -0.504 0.000 0.958 496 Q CB 0.743 29.026 28.738 -0.758 0.000 1.125 496 Q HN 0.103 nan 8.270 nan 0.000 0.513 497 F N 2.180 122.125 119.950 -0.007 0.000 2.430 497 F HA 0.432 4.919 4.527 -0.067 0.000 0.362 497 F C -2.151 173.665 175.800 0.027 0.000 1.103 497 F CA -2.580 55.426 58.000 0.011 0.000 1.045 497 F CB 1.356 40.367 39.000 0.018 0.000 1.276 497 F HN -0.200 nan 8.300 nan 0.000 0.444 498 P HA 0.159 nan 4.420 nan 0.000 0.270 498 P C -2.446 174.930 177.300 0.126 0.000 1.223 498 P CA -0.889 62.271 63.100 0.100 0.000 0.785 498 P CB 0.144 31.878 31.700 0.056 0.000 0.923 499 P HA 0.093 nan 4.420 nan 0.000 0.271 499 P C -0.743 176.608 177.300 0.084 0.000 1.233 499 P CA -0.080 63.084 63.100 0.107 0.000 0.789 499 P CB 0.290 32.037 31.700 0.078 0.000 0.951 500 L N 1.835 123.108 121.223 0.084 0.000 2.353 500 L HA 0.166 4.463 4.340 -0.071 0.000 0.269 500 L C 0.885 177.758 176.870 0.005 0.000 1.085 500 L CA 0.568 55.404 54.840 -0.005 0.000 0.938 500 L CB -0.561 41.405 42.059 -0.155 0.000 1.312 500 L HN 0.311 nan 8.230 nan 0.000 0.429 501 E N 1.182 121.389 120.200 0.011 0.000 2.371 501 E HA 0.053 4.360 4.350 -0.071 0.000 0.194 501 E C 0.194 176.803 176.600 0.015 0.000 1.012 501 E CA 0.342 56.752 56.400 0.017 0.000 0.860 501 E CB 0.404 30.115 29.700 0.019 0.000 0.811 501 E HN 0.555 nan 8.360 nan 0.000 0.502 502 T N 0.412 114.964 114.554 -0.004 0.000 2.942 502 T HA 0.098 4.405 4.350 -0.071 0.000 0.327 502 T C -1.834 172.842 174.700 -0.041 0.000 1.360 502 T CA -0.964 61.133 62.100 -0.005 0.000 1.055 502 T CB 1.409 70.277 68.868 -0.001 0.000 1.261 502 T HN -0.222 nan 8.240 nan 0.000 0.485 503 D N 2.994 123.366 120.400 -0.048 0.000 2.525 503 D HA 0.317 4.914 4.640 -0.071 0.000 0.235 503 D C 0.613 176.871 176.300 -0.071 0.000 1.137 503 D CA 0.725 54.675 54.000 -0.083 0.000 0.868 503 D CB 0.345 41.103 40.800 -0.071 0.000 1.180 503 D HN 0.688 nan 8.370 nan 0.000 0.465 504 R N 0.504 120.951 120.500 -0.089 0.000 2.710 504 R HA 0.624 4.922 4.340 -0.071 0.000 0.270 504 R C -3.134 173.132 176.300 -0.058 0.000 1.021 504 R CA -1.748 54.317 56.100 -0.058 0.000 0.889 504 R CB 0.317 30.593 30.300 -0.040 0.000 1.243 504 R HN -0.002 nan 8.270 nan 0.000 0.464 505 P HA 0.103 nan 4.420 nan 0.000 0.264 505 P C -0.301 176.994 177.300 -0.009 0.000 1.193 505 P CA -0.156 62.931 63.100 -0.021 0.000 0.763 505 P CB 0.558 32.252 31.700 -0.010 0.000 0.810 506 L N 1.727 122.948 121.223 -0.004 0.000 2.731 506 L HA 0.174 4.472 4.340 -0.071 0.000 0.240 506 L C 2.307 179.197 176.870 0.033 0.000 1.120 506 L CA 0.382 55.235 54.840 0.022 0.000 0.913 506 L CB -0.306 41.769 42.059 0.027 0.000 1.213 506 L HN 0.528 nan 8.230 nan 0.000 0.515 507 G N 0.292 109.105 108.800 0.022 0.000 2.529 507 G HA2 -0.307 3.610 3.960 -0.071 0.000 0.219 507 G HA3 -0.307 3.610 3.960 -0.071 0.000 0.219 507 G C 1.395 176.312 174.900 0.029 0.000 1.177 507 G CA 0.760 45.872 45.100 0.021 0.000 0.773 507 G HN 0.382 nan 8.290 nan 0.000 0.573 508 Q N -0.115 119.708 119.800 0.038 0.000 2.119 508 Q HA -0.069 4.228 4.340 -0.071 0.000 0.201 508 Q C 2.503 178.556 176.000 0.089 0.000 0.972 508 Q CA 1.240 57.073 55.803 0.051 0.000 0.847 508 Q CB -0.095 28.669 28.738 0.044 0.000 0.903 508 Q HN 0.632 nan 8.270 nan 0.000 0.433 509 E N 0.594 120.864 120.200 0.116 0.000 2.107 509 E HA -0.127 4.180 4.350 -0.071 0.000 0.191 509 E C 1.947 178.572 176.600 0.041 0.000 0.982 509 E CA 0.661 57.188 56.400 0.210 0.000 0.809 509 E CB 0.008 29.851 29.700 0.238 0.000 0.756 509 E HN 0.329 nan 8.360 nan 0.000 0.459 510 I N 1.119 121.682 120.570 -0.011 0.000 2.179 510 I HA -0.276 3.851 4.170 -0.071 0.000 0.242 510 I C 2.523 178.610 176.117 -0.051 0.000 1.088 510 I CA 1.005 62.264 61.300 -0.068 0.000 1.357 510 I CB -0.266 37.718 38.000 -0.027 0.000 1.051 510 I HN 0.092 nan 8.210 nan 0.000 0.409 511 A N 0.645 123.464 122.820 -0.001 0.000 1.902 511 A HA -0.145 4.132 4.320 -0.071 0.000 0.217 511 A C 2.535 180.135 177.584 0.028 0.000 1.181 511 A CA 1.801 53.844 52.037 0.009 0.000 0.623 511 A CB -0.831 18.182 19.000 0.022 0.000 0.818 511 A HN 0.429 nan 8.150 nan 0.000 0.443 512 A N -0.559 122.308 122.820 0.078 0.000 1.877 512 A HA -0.036 4.241 4.320 -0.071 0.000 0.216 512 A C 2.130 179.807 177.584 0.156 0.000 1.186 512 A CA 1.760 53.880 52.037 0.137 0.000 0.620 512 A CB -0.619 18.515 19.000 0.225 0.000 0.822 512 A HN 0.654 nan 8.150 nan 0.000 0.443 513 L N -0.275 121.000 121.223 0.086 0.000 2.093 513 L HA -0.004 4.293 4.340 -0.071 0.000 0.208 513 L C 2.662 179.459 176.870 -0.122 0.000 1.085 513 L CA 2.019 56.819 54.840 -0.067 0.000 0.755 513 L CB -0.845 40.912 42.059 -0.503 0.000 0.904 513 L HN 0.348 nan 8.230 nan 0.000 0.435 514 A N -1.539 121.204 122.820 -0.129 0.000 1.908 514 A HA -0.229 4.048 4.320 -0.071 0.000 0.218 514 A C 2.266 179.791 177.584 -0.098 0.000 1.181 514 A CA 2.351 54.300 52.037 -0.147 0.000 0.627 514 A CB -1.224 17.720 19.000 -0.094 0.000 0.818 514 A HN 0.500 nan 8.150 nan 0.000 0.445 515 T N -1.397 113.144 114.554 -0.021 0.000 2.759 515 T HA -0.176 4.131 4.350 -0.071 0.000 0.269 515 T C 1.866 176.576 174.700 0.016 0.000 1.042 515 T CA 1.936 64.043 62.100 0.011 0.000 1.140 515 T CB -0.398 68.497 68.868 0.044 0.000 0.864 515 T HN 0.809 nan 8.240 nan 0.000 0.455 516 H N 1.096 120.127 119.070 -0.065 0.000 2.357 516 H HA 0.122 4.636 4.556 -0.072 0.000 0.301 516 H C 1.982 177.234 175.328 -0.127 0.000 1.082 516 H CA 1.170 57.183 56.048 -0.059 0.000 1.342 516 H CB -0.503 29.251 29.762 -0.013 0.000 1.389 516 H HN 0.246 nan 8.280 nan 0.000 0.511 517 L N -0.020 120.995 121.223 -0.348 0.000 2.191 517 L HA -0.156 4.142 4.340 -0.071 0.000 0.212 517 L C 2.156 178.852 176.870 -0.290 0.000 1.103 517 L CA 0.895 55.389 54.840 -0.578 0.000 0.769 517 L CB -0.422 41.125 42.059 -0.852 0.000 0.908 517 L HN 0.334 nan 8.230 nan 0.000 0.438 518 L N -0.851 120.251 121.223 -0.202 0.000 2.395 518 L HA -0.123 4.174 4.340 -0.071 0.000 0.218 518 L C 2.058 178.883 176.870 -0.075 0.000 1.130 518 L CA 0.832 55.619 54.840 -0.088 0.000 0.826 518 L CB -0.153 41.891 42.059 -0.025 0.000 0.941 518 L HN 0.363 nan 8.230 nan 0.000 0.451 519 Q N -1.543 118.122 119.800 -0.226 0.000 2.245 519 Q HA 0.215 4.512 4.340 -0.071 0.000 0.236 519 Q C -0.062 175.486 176.000 -0.753 0.000 0.842 519 Q CA 0.035 55.668 55.803 -0.284 0.000 0.945 519 Q CB 1.138 29.839 28.738 -0.061 0.000 1.122 519 Q HN 0.408 nan 8.270 nan 0.000 0.506 520 Q N 0.006 119.324 119.800 -0.802 0.000 2.345 520 Q HA 0.467 4.764 4.340 -0.071 0.000 0.275 520 Q C -1.282 174.593 176.000 -0.209 0.000 1.063 520 Q CA -0.389 55.032 55.803 -0.636 0.000 0.819 520 Q CB 2.710 31.203 28.738 -0.407 0.000 1.356 520 Q HN -0.054 nan 8.270 nan 0.000 0.418 521 S N 2.240 117.898 115.700 -0.070 0.000 2.654 521 S HA 0.509 4.937 4.470 -0.071 0.000 0.283 521 S C -2.377 172.006 174.600 -0.362 0.000 1.180 521 S CA -1.147 56.962 58.200 -0.153 0.000 1.021 521 S CB 0.861 64.027 63.200 -0.057 0.000 1.018 521 S HN 0.415 nan 8.310 nan 0.000 0.532 522 P HA 0.208 nan 4.420 nan 0.000 0.271 522 P C -0.655 176.439 177.300 -0.343 0.000 1.380 522 P CA -0.028 62.634 63.100 -0.730 0.000 0.992 522 P CB -0.196 30.783 31.700 -1.202 0.000 1.230 523 V N 0.000 119.812 119.914 -0.169 0.000 2.409 523 V HA 0.000 4.077 4.120 -0.071 0.000 0.244 523 V CA 0.000 62.241 62.300 -0.099 0.000 1.235 523 V CB 0.000 31.778 31.823 -0.075 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556