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 2zaf_1_B DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTME SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE MPVILCDSPS LQEKFLKPFI SGEGEPLASL MHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAMSAALVG AMAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEMAMQTKIY TTDVAVECVI DAMKAVGMKS YAKDMSFPRL LNEVMCYPLF DATA SEQUENCE DGGNIGLKRR QMQRVMALED YEPWAATYGS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.016 176.094 -0.130 0.000 1.182 2 V CA 0.000 62.231 62.300 -0.116 0.000 1.235 2 V CB 0.000 31.755 31.823 -0.113 0.000 1.184 3 D N 3.106 123.340 120.400 -0.276 0.000 2.927 3 D HA 0.493 5.134 4.640 0.001 0.000 0.219 3 D C -0.953 175.161 176.300 -0.310 0.000 1.248 3 D CA -0.203 53.701 54.000 -0.161 0.000 0.861 3 D CB 2.166 42.914 40.800 -0.086 0.000 1.677 3 D HN 0.552 nan 8.370 nan 0.000 0.511 4 F N 1.310 121.310 119.950 0.082 0.000 2.706 4 F HA 0.242 4.769 4.527 0.001 0.000 0.313 4 F C 0.960 176.846 175.800 0.143 0.000 1.096 4 F CA -0.299 57.791 58.000 0.149 0.000 1.219 4 F CB 0.746 39.842 39.000 0.160 0.000 1.051 4 F HN -0.073 nan 8.300 nan 0.000 0.568 5 K N 1.980 122.502 120.400 0.203 0.000 2.270 5 K HA 0.401 4.721 4.320 0.001 0.000 0.276 5 K C -0.305 176.334 176.600 0.065 0.000 1.023 5 K CA -0.264 56.106 56.287 0.139 0.000 0.955 5 K CB 1.234 33.790 32.500 0.092 0.000 0.975 5 K HN 0.075 nan 8.250 nan 0.000 0.471 6 L N 1.644 122.899 121.223 0.055 0.000 2.399 6 L HA 0.166 4.507 4.340 0.001 0.000 0.266 6 L C 0.847 177.703 176.870 -0.024 0.000 1.114 6 L CA -0.497 54.327 54.840 -0.027 0.000 0.804 6 L CB 1.238 43.286 42.059 -0.019 0.000 1.146 6 L HN 0.752 nan 8.230 nan 0.000 0.451 7 S N 0.864 116.530 115.700 -0.057 0.000 2.645 7 S HA 0.337 4.807 4.470 0.001 0.000 0.266 7 S C -1.968 172.628 174.600 -0.008 0.000 1.258 7 S CA -1.158 57.031 58.200 -0.020 0.000 0.990 7 S CB 1.149 64.347 63.200 -0.004 0.000 0.967 7 S HN 0.398 nan 8.310 nan 0.000 0.556 8 P HA -0.116 nan 4.420 nan 0.000 0.216 8 P C 1.723 179.044 177.300 0.035 0.000 1.150 8 P CA 1.743 64.858 63.100 0.024 0.000 0.837 8 P CB -0.245 31.471 31.700 0.027 0.000 0.786 9 S N -1.154 114.582 115.700 0.059 0.000 2.423 9 S HA -0.174 4.297 4.470 0.001 0.000 0.231 9 S C 2.024 176.687 174.600 0.106 0.000 1.014 9 S CA 0.857 59.128 58.200 0.119 0.000 0.965 9 S CB -1.088 62.223 63.200 0.186 0.000 0.785 9 S HN 0.202 nan 8.310 nan 0.000 0.495 10 Q N 0.831 120.584 119.800 -0.079 0.000 2.083 10 Q HA 0.169 4.510 4.340 0.001 0.000 0.198 10 Q C 2.201 178.135 176.000 -0.111 0.000 0.969 10 Q CA 1.238 56.834 55.803 -0.344 0.000 0.838 10 Q CB -0.392 28.071 28.738 -0.459 0.000 0.900 10 Q HN 0.533 nan 8.270 nan 0.000 0.436 11 L N 0.380 121.583 121.223 -0.032 0.000 2.083 11 L HA -0.192 4.149 4.340 0.001 0.000 0.209 11 L C 2.368 179.271 176.870 0.055 0.000 1.083 11 L CA 0.875 55.729 54.840 0.023 0.000 0.752 11 L CB -0.262 41.817 42.059 0.033 0.000 0.899 11 L HN 0.197 nan 8.230 nan 0.000 0.433 12 E N 0.613 120.849 120.200 0.061 0.000 2.077 12 E HA -0.183 4.167 4.350 0.001 0.000 0.193 12 E C 2.160 178.839 176.600 0.133 0.000 0.989 12 E CA 1.443 57.897 56.400 0.089 0.000 0.800 12 E CB -0.144 29.598 29.700 0.071 0.000 0.746 12 E HN 0.359 nan 8.360 nan 0.000 0.452 13 A N 0.756 123.651 122.820 0.127 0.000 1.940 13 A HA -0.230 4.090 4.320 0.001 0.000 0.219 13 A C 2.284 179.974 177.584 0.177 0.000 1.176 13 A CA 1.899 54.039 52.037 0.172 0.000 0.631 13 A CB -0.575 18.528 19.000 0.171 0.000 0.814 13 A HN 0.254 nan 8.150 nan 0.000 0.446 14 R N -0.671 119.904 120.500 0.125 0.000 2.070 14 R HA -0.130 4.211 4.340 0.001 0.000 0.232 14 R C 2.526 178.905 176.300 0.132 0.000 1.138 14 R CA 1.537 57.712 56.100 0.124 0.000 0.936 14 R CB -0.370 29.992 30.300 0.103 0.000 0.839 14 R HN 0.506 nan 8.270 nan 0.000 0.429 15 R N -0.450 120.127 120.500 0.129 0.000 2.096 15 R HA -0.248 4.092 4.340 0.001 0.000 0.240 15 R C 2.279 178.673 176.300 0.157 0.000 1.139 15 R CA 2.368 58.544 56.100 0.126 0.000 0.952 15 R CB -0.654 29.716 30.300 0.116 0.000 0.854 15 R HN 0.448 nan 8.270 nan 0.000 0.436 16 H N 0.027 119.162 119.070 0.107 0.000 2.352 16 H HA -0.056 4.500 4.556 0.001 0.000 0.299 16 H C 1.758 177.183 175.328 0.162 0.000 1.097 16 H CA 2.366 58.495 56.048 0.135 0.000 1.311 16 H CB -0.215 29.620 29.762 0.121 0.000 1.377 16 H HN 0.382 nan 8.280 nan 0.000 0.504 17 A N 0.294 123.157 122.820 0.072 0.000 1.873 17 A HA -0.180 4.140 4.320 0.001 0.000 0.215 17 A C 2.348 179.982 177.584 0.084 0.000 1.186 17 A CA 1.529 53.600 52.037 0.058 0.000 0.616 17 A CB -0.698 18.380 19.000 0.129 0.000 0.823 17 A HN 0.623 nan 8.150 nan 0.000 0.442 18 Q N -0.610 119.240 119.800 0.083 0.000 2.045 18 Q HA -0.228 4.112 4.340 0.001 0.000 0.206 18 Q C 2.434 178.453 176.000 0.033 0.000 0.991 18 Q CA 1.877 57.718 55.803 0.063 0.000 0.851 18 Q CB -0.421 28.357 28.738 0.067 0.000 0.911 18 Q HN 0.693 nan 8.270 nan 0.000 0.418 19 A N 0.266 123.107 122.820 0.035 0.000 1.877 19 A HA -0.216 4.104 4.320 0.001 0.000 0.216 19 A C 1.866 179.432 177.584 -0.029 0.000 1.186 19 A CA 1.385 53.434 52.037 0.019 0.000 0.620 19 A CB -0.932 18.105 19.000 0.063 0.000 0.822 19 A HN 0.501 nan 8.150 nan 0.000 0.443 20 F N 1.114 120.936 119.950 -0.214 0.000 2.091 20 F HA -0.165 4.363 4.527 0.001 0.000 0.299 20 F C 2.521 178.218 175.800 -0.173 0.000 1.103 20 F CA 1.423 59.233 58.000 -0.317 0.000 1.228 20 F CB -0.571 38.157 39.000 -0.454 0.000 0.984 20 F HN 0.256 nan 8.300 nan 0.000 0.477 21 A N 0.269 123.010 122.820 -0.131 0.000 1.858 21 A HA -0.246 4.075 4.320 0.001 0.000 0.216 21 A C 2.034 179.503 177.584 -0.192 0.000 1.190 21 A CA 2.138 54.078 52.037 -0.163 0.000 0.617 21 A CB -1.305 17.692 19.000 -0.005 0.000 0.827 21 A HN 0.616 nan 8.150 nan 0.000 0.443 22 N N -0.727 117.902 118.700 -0.118 0.000 2.120 22 N HA -0.136 4.605 4.740 0.001 0.000 0.188 22 N C 1.797 177.236 175.510 -0.118 0.000 1.024 22 N CA 2.039 55.034 53.050 -0.092 0.000 0.852 22 N CB -0.181 38.279 38.487 -0.045 0.000 1.003 22 N HN 0.700 nan 8.380 nan 0.000 0.424 23 T N -2.699 111.762 114.554 -0.154 0.000 3.035 23 T HA 0.134 4.484 4.350 0.001 0.000 0.259 23 T C 1.764 176.362 174.700 -0.171 0.000 1.078 23 T CA 0.371 62.396 62.100 -0.125 0.000 1.132 23 T CB -0.021 68.803 68.868 -0.073 0.000 0.900 23 T HN -0.078 nan 8.240 nan 0.000 0.480 24 V N 0.326 120.028 119.914 -0.352 0.000 2.721 24 V HA 0.247 4.368 4.120 0.001 0.000 0.236 24 V C 2.269 178.251 176.094 -0.187 0.000 1.116 24 V CA 0.134 62.229 62.300 -0.341 0.000 1.148 24 V CB -0.357 30.986 31.823 -0.799 0.000 0.886 24 V HN 0.210 nan 8.190 nan 0.000 0.490 25 L N 1.483 122.480 121.223 -0.376 0.000 2.201 25 L HA -0.099 4.241 4.340 0.001 0.000 0.212 25 L C 2.774 179.517 176.870 -0.211 0.000 1.105 25 L CA 2.605 57.297 54.840 -0.246 0.000 0.775 25 L CB -1.437 40.496 42.059 -0.209 0.000 0.913 25 L HN 0.666 nan 8.230 nan 0.000 0.440 26 T N -3.889 110.567 114.554 -0.164 0.000 2.977 26 T HA -0.203 4.148 4.350 0.001 0.000 0.271 26 T C 1.673 176.295 174.700 -0.131 0.000 1.105 26 T CA 1.005 63.027 62.100 -0.130 0.000 1.116 26 T CB -0.288 68.521 68.868 -0.098 0.000 0.878 26 T HN 0.294 nan 8.240 nan 0.000 0.509 27 K N 0.693 121.039 120.400 -0.089 0.000 2.444 27 K HA 0.440 4.761 4.320 0.001 0.000 0.193 27 K C 2.463 178.958 176.600 -0.176 0.000 1.024 27 K CA 0.427 56.711 56.287 -0.006 0.000 1.077 27 K CB -0.018 32.603 32.500 0.201 0.000 0.833 27 K HN 0.434 nan 8.250 nan 0.000 0.517 28 A N 0.898 123.347 122.820 -0.619 0.000 1.897 28 A HA -0.123 4.197 4.320 0.001 0.000 0.215 28 A C 2.217 179.430 177.584 -0.618 0.000 1.181 28 A CA 1.495 52.924 52.037 -1.014 0.000 0.620 28 A CB -0.574 17.843 19.000 -0.970 0.000 0.821 28 A HN 0.199 nan 8.150 nan 0.000 0.443 29 S N -0.218 115.078 115.700 -0.673 0.000 2.380 29 S HA -0.191 4.279 4.470 0.001 0.000 0.229 29 S C 2.154 176.309 174.600 -0.742 0.000 1.043 29 S CA 1.718 59.258 58.200 -1.100 0.000 1.038 29 S CB -0.466 62.424 63.200 -0.516 0.000 0.872 29 S HN 0.841 nan 8.310 nan 0.000 0.456 30 A N 1.013 123.601 122.820 -0.387 0.000 1.978 30 A HA -0.111 4.209 4.320 0.001 0.000 0.220 30 A C 2.073 179.560 177.584 -0.162 0.000 1.170 30 A CA 1.599 53.507 52.037 -0.215 0.000 0.636 30 A CB -0.374 18.561 19.000 -0.109 0.000 0.810 30 A HN 0.565 nan 8.150 nan 0.000 0.448 31 E N -0.855 119.257 120.200 -0.147 0.000 2.075 31 E HA -0.082 4.269 4.350 0.001 0.000 0.190 31 E C 1.960 178.564 176.600 0.007 0.000 0.969 31 E CA 1.501 57.901 56.400 -0.001 0.000 0.815 31 E CB -0.729 29.082 29.700 0.184 0.000 0.776 31 E HN 0.954 nan 8.360 nan 0.000 0.457 32 Y N 0.516 120.814 120.300 -0.004 0.000 2.373 32 Y HA 0.147 4.697 4.550 0.001 0.000 0.293 32 Y C 2.286 178.187 175.900 0.003 0.000 1.129 32 Y CA 0.805 58.910 58.100 0.009 0.000 1.226 32 Y CB -0.523 37.940 38.460 0.004 0.000 1.000 32 Y HN -0.211 nan 8.280 nan 0.000 0.549 33 S N 0.575 116.165 115.700 -0.184 0.000 2.402 33 S HA -0.225 4.246 4.470 0.001 0.000 0.233 33 S C 1.950 176.548 174.600 -0.003 0.000 1.030 33 S CA 2.091 60.242 58.200 -0.082 0.000 1.003 33 S CB -0.775 62.314 63.200 -0.186 0.000 0.813 33 S HN 0.828 nan 8.310 nan 0.000 0.477 34 T N -1.086 113.466 114.554 -0.004 0.000 3.081 34 T HA 0.133 4.484 4.350 0.001 0.000 0.255 34 T C 0.590 175.313 174.700 0.039 0.000 1.113 34 T CA 0.044 62.151 62.100 0.011 0.000 1.082 34 T CB 0.003 68.873 68.868 0.002 0.000 0.939 34 T HN 0.064 nan 8.240 nan 0.000 0.506 35 Q N 2.057 121.899 119.800 0.070 0.000 2.299 35 Q HA 0.351 4.692 4.340 0.001 0.000 0.246 35 Q C 0.650 176.696 176.000 0.076 0.000 0.935 35 Q CA -0.061 55.791 55.803 0.081 0.000 0.887 35 Q CB 1.632 30.439 28.738 0.115 0.000 1.223 35 Q HN 0.624 nan 8.270 nan 0.000 0.439 36 K N -0.393 120.044 120.400 0.062 0.000 2.358 36 K HA 0.128 4.448 4.320 0.001 0.000 0.200 36 K C -0.419 176.213 176.600 0.053 0.000 1.030 36 K CA 0.056 56.374 56.287 0.051 0.000 1.097 36 K CB 0.513 33.036 32.500 0.039 0.000 0.862 36 K HN 0.461 nan 8.250 nan 0.000 0.534 37 D N -1.293 119.146 120.400 0.065 0.000 2.596 37 D HA 0.075 4.715 4.640 0.001 0.000 0.262 37 D C 0.357 176.705 176.300 0.080 0.000 1.210 37 D CA -0.705 53.334 54.000 0.065 0.000 0.873 37 D CB 0.729 41.566 40.800 0.060 0.000 1.408 37 D HN -0.177 nan 8.370 nan 0.000 0.441 38 Q N -0.320 119.525 119.800 0.075 0.000 2.062 38 Q HA -0.157 4.184 4.340 0.001 0.000 0.209 38 Q C 1.841 177.919 176.000 0.130 0.000 0.996 38 Q CA 1.500 57.352 55.803 0.082 0.000 0.859 38 Q CB -0.312 28.461 28.738 0.058 0.000 0.920 38 Q HN 0.563 nan 8.270 nan 0.000 0.415 39 L N 0.730 122.031 121.223 0.129 0.000 1.994 39 L HA -0.144 4.197 4.340 0.001 0.000 0.208 39 L C 2.329 179.305 176.870 0.176 0.000 1.071 39 L CA 1.908 56.842 54.840 0.157 0.000 0.745 39 L CB -0.812 41.280 42.059 0.054 0.000 0.892 39 L HN 0.031 nan 8.230 nan 0.000 0.431 40 S N -0.340 115.430 115.700 0.117 0.000 2.374 40 S HA -0.236 4.235 4.470 0.001 0.000 0.227 40 S C 1.982 176.672 174.600 0.150 0.000 1.037 40 S CA 1.639 59.905 58.200 0.109 0.000 1.024 40 S CB -0.413 62.837 63.200 0.083 0.000 0.861 40 S HN 0.451 nan 8.310 nan 0.000 0.456 41 R N -0.348 120.250 120.500 0.164 0.000 2.081 41 R HA -0.075 4.266 4.340 0.001 0.000 0.235 41 R C 2.091 178.530 176.300 0.231 0.000 1.131 41 R CA 1.428 57.639 56.100 0.185 0.000 0.960 41 R CB -0.480 29.895 30.300 0.125 0.000 0.856 41 R HN 0.401 nan 8.270 nan 0.000 0.436 42 F N 2.295 122.297 119.950 0.088 0.000 2.075 42 F HA -0.194 4.334 4.527 0.001 0.000 0.297 42 F C 2.186 178.159 175.800 0.289 0.000 1.113 42 F CA 1.603 59.683 58.000 0.134 0.000 1.218 42 F CB -0.453 38.589 39.000 0.071 0.000 0.984 42 F HN -0.056 nan 8.300 nan 0.000 0.472 43 Q N -0.068 119.830 119.800 0.164 0.000 2.181 43 Q HA -0.173 4.167 4.340 0.001 0.000 0.205 43 Q C 2.244 178.269 176.000 0.042 0.000 0.980 43 Q CA 1.505 57.353 55.803 0.074 0.000 0.862 43 Q CB -0.554 28.233 28.738 0.081 0.000 0.905 43 Q HN 0.513 nan 8.270 nan 0.000 0.429 44 A N -0.002 122.891 122.820 0.121 0.000 2.209 44 A HA -0.074 4.247 4.320 0.001 0.000 0.212 44 A C 1.887 179.628 177.584 0.261 0.000 1.158 44 A CA 1.135 53.269 52.037 0.161 0.000 0.742 44 A CB -0.164 18.953 19.000 0.196 0.000 0.790 44 A HN 0.206 nan 8.150 nan 0.000 0.472 45 T N -1.377 113.321 114.554 0.240 0.000 3.065 45 T HA 0.051 4.402 4.350 0.001 0.000 0.252 45 T C 1.859 176.752 174.700 0.322 0.000 1.099 45 T CA 0.418 62.735 62.100 0.362 0.000 1.063 45 T CB -0.142 68.896 68.868 0.282 0.000 0.948 45 T HN 0.572 nan 8.240 nan 0.000 0.506 46 R N 1.545 122.013 120.500 -0.053 0.000 2.094 46 R HA -0.108 4.232 4.340 0.001 0.000 0.239 46 R C -1.012 175.138 176.300 -0.249 0.000 1.137 46 R CA 1.795 57.546 56.100 -0.582 0.000 0.943 46 R CB -0.884 28.820 30.300 -0.994 0.000 0.850 46 R HN 0.262 nan 8.270 nan 0.000 0.433 47 P HA -0.108 nan 4.420 nan 0.000 0.228 47 P C 0.301 177.386 177.300 -0.359 0.000 1.151 47 P CA 1.221 64.126 63.100 -0.324 0.000 0.770 47 P CB -0.001 31.420 31.700 -0.465 0.000 0.786 48 F N -3.477 116.524 119.950 0.085 0.000 2.317 48 F HA 0.028 4.555 4.527 0.001 0.000 0.293 48 F C 2.321 178.296 175.800 0.291 0.000 1.085 48 F CA 0.509 58.606 58.000 0.162 0.000 1.390 48 F CB -1.055 38.033 39.000 0.147 0.000 1.077 48 F HN -0.159 nan 8.300 nan 0.000 0.517 49 Y N 1.418 121.912 120.300 0.323 0.000 2.181 49 Y HA -0.238 4.313 4.550 0.001 0.000 0.288 49 Y C 2.745 178.756 175.900 0.186 0.000 1.146 49 Y CA 1.693 59.974 58.100 0.301 0.000 1.164 49 Y CB -0.321 38.395 38.460 0.427 0.000 0.982 49 Y HN -0.077 nan 8.280 nan 0.000 0.515 50 R N 0.813 121.419 120.500 0.176 0.000 2.096 50 R HA -0.193 4.147 4.340 0.001 0.000 0.240 50 R C 1.958 178.289 176.300 0.051 0.000 1.139 50 R CA 2.183 58.308 56.100 0.041 0.000 0.952 50 R CB -0.571 29.697 30.300 -0.054 0.000 0.854 50 R HN 0.243 nan 8.270 nan 0.000 0.436 51 E N -0.060 120.209 120.200 0.115 0.000 2.150 51 E HA -0.075 4.276 4.350 0.001 0.000 0.193 51 E C 1.849 178.639 176.600 0.316 0.000 0.985 51 E CA 1.278 57.828 56.400 0.250 0.000 0.814 51 E CB -0.253 29.612 29.700 0.276 0.000 0.752 51 E HN 0.510 nan 8.360 nan 0.000 0.466 52 A N 0.699 123.618 122.820 0.165 0.000 1.930 52 A HA -0.110 4.211 4.320 0.001 0.000 0.217 52 A C 2.570 180.036 177.584 -0.196 0.000 1.175 52 A CA 1.183 53.085 52.037 -0.226 0.000 0.627 52 A CB -0.509 18.368 19.000 -0.205 0.000 0.815 52 A HN 0.128 nan 8.150 nan 0.000 0.443 53 V N -0.114 119.699 119.914 -0.167 0.000 2.261 53 V HA -0.233 3.888 4.120 0.001 0.000 0.246 53 V C 2.594 178.672 176.094 -0.026 0.000 1.047 53 V CA 2.172 64.400 62.300 -0.119 0.000 1.015 53 V CB -0.756 31.002 31.823 -0.108 0.000 0.642 53 V HN 0.568 nan 8.190 nan 0.000 0.446 54 R N -0.955 119.559 120.500 0.024 0.000 2.159 54 R HA -0.174 4.167 4.340 0.001 0.000 0.237 54 R C 1.968 178.276 176.300 0.013 0.000 1.131 54 R CA 1.434 57.551 56.100 0.029 0.000 0.982 54 R CB -0.180 30.153 30.300 0.055 0.000 0.868 54 R HN 0.621 nan 8.270 nan 0.000 0.453 55 H N -1.706 117.361 119.070 -0.005 0.000 2.539 55 H HA 0.166 4.722 4.556 0.001 0.000 0.267 55 H C 0.930 176.275 175.328 0.029 0.000 0.982 55 H CA 0.774 56.846 56.048 0.040 0.000 1.146 55 H CB 0.773 30.513 29.762 -0.037 0.000 1.382 55 H HN 0.457 nan 8.280 nan 0.000 0.577 56 G N 0.370 109.199 108.800 0.048 0.000 2.147 56 G HA2 -0.288 3.673 3.960 0.001 0.000 0.244 56 G HA3 -0.288 3.673 3.960 0.001 0.000 0.244 56 G C 0.959 175.862 174.900 0.005 0.000 1.005 56 G CA 0.533 45.639 45.100 0.011 0.000 0.713 56 G HN 0.434 nan 8.290 nan 0.000 0.515 57 L N -0.329 120.871 121.223 -0.039 0.000 2.270 57 L HA 0.123 4.464 4.340 0.001 0.000 0.210 57 L C 2.691 179.545 176.870 -0.026 0.000 1.104 57 L CA 0.344 55.150 54.840 -0.058 0.000 0.804 57 L CB -0.324 41.619 42.059 -0.193 0.000 0.937 57 L HN 0.254 nan 8.230 nan 0.000 0.450 58 I N 0.218 120.763 120.570 -0.040 0.000 2.353 58 I HA -0.231 3.940 4.170 0.001 0.000 0.248 58 I C 2.440 178.605 176.117 0.080 0.000 1.119 58 I CA 1.331 62.655 61.300 0.041 0.000 1.417 58 I CB -0.868 37.158 38.000 0.043 0.000 1.078 58 I HN 0.245 nan 8.210 nan 0.000 0.421 59 K N 1.271 121.700 120.400 0.049 0.000 2.209 59 K HA -0.070 4.251 4.320 0.001 0.000 0.204 59 K C 1.827 178.446 176.600 0.032 0.000 1.048 59 K CA 1.246 57.562 56.287 0.049 0.000 0.940 59 K CB 0.041 32.555 32.500 0.024 0.000 0.729 59 K HN 0.258 nan 8.250 nan 0.000 0.451 60 A N 0.109 122.943 122.820 0.024 0.000 2.238 60 A HA 0.006 4.327 4.320 0.001 0.000 0.208 60 A C 1.288 178.887 177.584 0.025 0.000 1.177 60 A CA 0.289 52.335 52.037 0.016 0.000 0.804 60 A CB 0.043 19.057 19.000 0.022 0.000 0.823 60 A HN 0.232 nan 8.150 nan 0.000 0.482 61 Q N -0.543 119.279 119.800 0.036 0.000 2.425 61 Q HA 0.144 4.484 4.340 0.001 0.000 0.204 61 Q C -0.014 175.992 176.000 0.009 0.000 0.933 61 Q CA 0.505 56.326 55.803 0.031 0.000 0.939 61 Q CB 0.091 28.857 28.738 0.047 0.000 1.044 61 Q HN 0.384 nan 8.270 nan 0.000 0.513 62 V N 2.562 122.485 119.914 0.014 0.000 2.459 62 V HA 0.323 4.444 4.120 0.001 0.000 0.295 62 V C -2.283 173.807 176.094 -0.006 0.000 1.029 62 V CA -2.224 60.079 62.300 0.005 0.000 0.874 62 V CB 1.569 33.410 31.823 0.030 0.000 0.985 62 V HN -0.032 nan 8.190 nan 0.000 0.438 63 P HA 0.222 nan 4.420 nan 0.000 0.269 63 P C 1.039 178.327 177.300 -0.020 0.000 1.217 63 P CA 0.059 63.146 63.100 -0.022 0.000 0.783 63 P CB 0.832 32.519 31.700 -0.022 0.000 0.898 64 I N 2.767 123.319 120.570 -0.030 0.000 2.179 64 I HA -0.169 4.002 4.170 0.001 0.000 0.242 64 I C -0.628 175.479 176.117 -0.017 0.000 1.088 64 I CA 1.754 63.038 61.300 -0.028 0.000 1.357 64 I CB -1.552 36.424 38.000 -0.040 0.000 1.051 64 I HN 0.449 nan 8.210 nan 0.000 0.409 65 P HA -0.146 nan 4.420 nan 0.000 0.221 65 P C 1.174 178.472 177.300 -0.004 0.000 1.145 65 P CA 1.067 64.161 63.100 -0.010 0.000 0.795 65 P CB 0.072 31.766 31.700 -0.011 0.000 0.775 66 L N -1.931 119.291 121.223 -0.002 0.000 2.629 66 L HA 0.354 4.694 4.340 0.001 0.000 0.230 66 L C 1.515 178.395 176.870 0.017 0.000 1.151 66 L CA 0.687 55.532 54.840 0.008 0.000 0.924 66 L CB -1.422 40.642 42.059 0.007 0.000 1.137 66 L HN 0.132 nan 8.230 nan 0.000 0.457 67 G N -1.241 107.564 108.800 0.010 0.000 2.136 67 G HA2 -0.202 3.759 3.960 0.001 0.000 0.242 67 G HA3 -0.202 3.759 3.960 0.001 0.000 0.242 67 G C 0.652 175.562 174.900 0.016 0.000 0.989 67 G CA 0.104 45.212 45.100 0.013 0.000 0.682 67 G HN 0.659 nan 8.290 nan 0.000 0.522 68 G N -1.538 107.269 108.800 0.012 0.000 2.753 68 G HA2 0.733 4.693 3.960 0.001 0.000 0.285 68 G HA3 0.733 4.693 3.960 0.001 0.000 0.285 68 G C 0.763 175.658 174.900 -0.009 0.000 1.344 68 G CA 0.804 45.912 45.100 0.012 0.000 1.050 68 G HN 1.122 nan 8.290 nan 0.000 0.532 69 T N -2.324 112.222 114.554 -0.015 0.000 3.200 69 T HA 0.319 4.670 4.350 0.001 0.000 0.284 69 T C 0.793 175.460 174.700 -0.055 0.000 1.009 69 T CA -0.247 61.831 62.100 -0.037 0.000 0.907 69 T CB -0.178 68.667 68.868 -0.037 0.000 1.120 69 T HN 0.401 nan 8.240 nan 0.000 0.534 70 M N 2.232 121.804 119.600 -0.048 0.000 2.246 70 M HA 0.216 4.696 4.480 0.001 0.000 0.350 70 M C 0.648 176.871 176.300 -0.129 0.000 1.406 70 M CA 0.444 55.704 55.300 -0.066 0.000 1.089 70 M CB 0.660 33.238 32.600 -0.036 0.000 1.782 70 M HN 0.182 nan 8.290 nan 0.000 0.457 71 E N 2.283 122.337 120.200 -0.244 0.000 2.251 71 E HA 0.083 4.434 4.350 0.001 0.000 0.194 71 E C 0.091 176.458 176.600 -0.389 0.000 0.964 71 E CA 0.383 56.527 56.400 -0.428 0.000 0.868 71 E CB 0.522 29.714 29.700 -0.847 0.000 0.828 71 E HN 0.837 nan 8.360 nan 0.000 0.481 72 S N -1.126 114.418 115.700 -0.261 0.000 2.656 72 S HA 0.112 4.583 4.470 0.001 0.000 0.265 72 S C -0.203 174.418 174.600 0.035 0.000 1.110 72 S CA -0.752 57.421 58.200 -0.045 0.000 0.821 72 S CB 0.469 63.717 63.200 0.079 0.000 1.099 72 S HN -0.031 nan 8.310 nan 0.000 0.471 73 L N 1.627 122.866 121.223 0.026 0.000 2.240 73 L HA 0.231 4.572 4.340 0.001 0.000 0.211 73 L C 2.577 179.455 176.870 0.013 0.000 1.106 73 L CA 1.407 56.262 54.840 0.026 0.000 0.793 73 L CB -1.019 41.050 42.059 0.018 0.000 0.927 73 L HN 0.720 nan 8.230 nan 0.000 0.446 74 V N -1.048 118.837 119.914 -0.048 0.000 2.307 74 V HA -0.307 3.814 4.120 0.001 0.000 0.245 74 V C 2.429 178.442 176.094 -0.136 0.000 1.045 74 V CA 1.548 63.709 62.300 -0.232 0.000 1.024 74 V CB -0.717 30.804 31.823 -0.504 0.000 0.651 74 V HN 0.447 nan 8.190 nan 0.000 0.449 75 H N 0.135 119.134 119.070 -0.118 0.000 2.321 75 H HA -0.234 4.323 4.556 0.001 0.000 0.295 75 H C 2.302 177.636 175.328 0.009 0.000 1.102 75 H CA 2.170 58.191 56.048 -0.044 0.000 1.266 75 H CB -0.220 29.524 29.762 -0.030 0.000 1.363 75 H HN 0.454 nan 8.280 nan 0.000 0.492 76 E N 0.363 120.651 120.200 0.146 0.000 2.058 76 E HA -0.158 4.193 4.350 0.001 0.000 0.194 76 E C 2.295 178.966 176.600 0.117 0.000 0.997 76 E CA 1.695 58.163 56.400 0.113 0.000 0.801 76 E CB -0.184 29.564 29.700 0.079 0.000 0.746 76 E HN 0.331 nan 8.360 nan 0.000 0.450 77 S N -0.109 115.656 115.700 0.109 0.000 2.356 77 S HA -0.130 4.340 4.470 0.001 0.000 0.223 77 S C 2.009 176.732 174.600 0.204 0.000 1.032 77 S CA 1.319 59.617 58.200 0.163 0.000 1.005 77 S CB -0.384 62.954 63.200 0.230 0.000 0.867 77 S HN 0.295 nan 8.310 nan 0.000 0.449 78 I N 1.354 122.036 120.570 0.187 0.000 2.127 78 I HA -0.232 3.938 4.170 0.001 0.000 0.241 78 I C 2.106 178.327 176.117 0.172 0.000 1.075 78 I CA 1.306 62.722 61.300 0.194 0.000 1.334 78 I CB -0.508 37.557 38.000 0.109 0.000 1.040 78 I HN 0.246 nan 8.210 nan 0.000 0.405 79 I N 0.559 121.224 120.570 0.158 0.000 2.091 79 I HA -0.346 3.825 4.170 0.001 0.000 0.239 79 I C 2.505 178.742 176.117 0.200 0.000 1.061 79 I CA 1.721 63.122 61.300 0.169 0.000 1.317 79 I CB -0.469 37.627 38.000 0.161 0.000 1.031 79 I HN 0.188 nan 8.210 nan 0.000 0.401 80 L N 0.202 121.553 121.223 0.214 0.000 2.079 80 L HA -0.259 4.082 4.340 0.001 0.000 0.210 80 L C 2.626 179.694 176.870 0.330 0.000 1.081 80 L CA 1.570 56.589 54.840 0.298 0.000 0.752 80 L CB -0.746 41.431 42.059 0.197 0.000 0.896 80 L HN 0.376 nan 8.230 nan 0.000 0.433 81 E N 0.211 120.542 120.200 0.218 0.000 2.058 81 E HA -0.244 4.106 4.350 0.001 0.000 0.194 81 E C 2.054 178.783 176.600 0.215 0.000 0.997 81 E CA 1.330 57.847 56.400 0.195 0.000 0.801 81 E CB 0.156 29.950 29.700 0.157 0.000 0.746 81 E HN 0.395 nan 8.360 nan 0.000 0.450 82 E N 0.427 120.742 120.200 0.192 0.000 2.077 82 E HA -0.186 4.165 4.350 0.001 0.000 0.193 82 E C 2.151 178.849 176.600 0.163 0.000 0.989 82 E CA 0.582 57.077 56.400 0.160 0.000 0.800 82 E CB -0.290 29.495 29.700 0.140 0.000 0.746 82 E HN 0.260 nan 8.360 nan 0.000 0.452 83 L N -0.290 121.055 121.223 0.204 0.000 2.046 83 L HA -0.103 4.238 4.340 0.001 0.000 0.208 83 L C 2.194 179.089 176.870 0.041 0.000 1.077 83 L CA 1.475 56.394 54.840 0.132 0.000 0.747 83 L CB -0.897 41.247 42.059 0.142 0.000 0.896 83 L HN 0.059 nan 8.230 nan 0.000 0.432 84 F N -0.959 119.059 119.950 0.113 0.000 2.615 84 F HA 0.075 4.603 4.527 0.001 0.000 0.297 84 F C 2.284 178.141 175.800 0.094 0.000 1.124 84 F CA 0.621 58.692 58.000 0.117 0.000 1.451 84 F CB -0.706 38.364 39.000 0.116 0.000 1.103 84 F HN 0.031 nan 8.300 nan 0.000 0.569 85 A N -0.517 122.434 122.820 0.218 0.000 2.125 85 A HA -0.041 4.279 4.320 0.001 0.000 0.219 85 A C 2.016 179.643 177.584 0.071 0.000 1.156 85 A CA 1.946 54.063 52.037 0.134 0.000 0.671 85 A CB -0.637 18.435 19.000 0.119 0.000 0.794 85 A HN 0.211 nan 8.150 nan 0.000 0.459 86 V N -1.809 118.132 119.914 0.045 0.000 2.996 86 V HA 0.223 4.344 4.120 0.001 0.000 0.235 86 V C 0.259 176.332 176.094 -0.036 0.000 1.205 86 V CA 0.953 63.249 62.300 -0.006 0.000 1.225 86 V CB 0.441 32.253 31.823 -0.018 0.000 0.995 86 V HN 0.513 nan 8.190 nan 0.000 0.484 87 E N -0.343 119.815 120.200 -0.070 0.000 2.593 87 E HA 0.287 4.638 4.350 0.001 0.000 0.362 87 E C -2.583 173.891 176.600 -0.210 0.000 0.962 87 E CA -1.142 55.199 56.400 -0.098 0.000 0.760 87 E CB 1.773 31.426 29.700 -0.079 0.000 1.521 87 E HN 0.041 nan 8.360 nan 0.000 0.384 88 P HA -0.047 nan 4.420 nan 0.000 0.218 88 P C -0.050 177.166 177.300 -0.139 0.000 1.148 88 P CA 1.250 64.173 63.100 -0.295 0.000 0.822 88 P CB 0.168 31.952 31.700 0.141 0.000 0.784 89 A N -0.786 121.976 122.820 -0.096 0.000 2.540 89 A HA 0.183 4.503 4.320 0.001 0.000 0.239 89 A C 1.382 178.988 177.584 0.037 0.000 1.061 89 A CA 1.290 53.287 52.037 -0.066 0.000 0.758 89 A CB -1.011 17.867 19.000 -0.204 0.000 0.991 89 A HN 0.260 nan 8.150 nan 0.000 0.502 90 T N 1.561 116.220 114.554 0.175 0.000 12.481 90 T HA -0.312 4.039 4.350 0.001 0.000 0.418 90 T C 1.892 176.767 174.700 0.291 0.000 1.450 90 T CA 2.385 64.684 62.100 0.331 0.000 2.393 90 T CB -1.873 67.234 68.868 0.398 0.000 2.837 90 T HN 0.980 nan 8.240 nan 0.000 0.792 91 S N 0.899 116.659 115.700 0.101 0.000 2.365 91 S HA -0.106 4.364 4.470 0.001 0.000 0.225 91 S C 1.775 176.503 174.600 0.214 0.000 1.039 91 S CA 1.695 59.898 58.200 0.006 0.000 1.033 91 S CB -0.425 62.428 63.200 -0.579 0.000 0.887 91 S HN 0.520 nan 8.310 nan 0.000 0.447 92 I N 2.344 123.049 120.570 0.225 0.000 2.208 92 I HA -0.200 3.971 4.170 0.001 0.000 0.245 92 I C 2.113 178.413 176.117 0.306 0.000 1.097 92 I CA 1.616 63.156 61.300 0.400 0.000 1.363 92 I CB -1.059 37.127 38.000 0.310 0.000 1.051 92 I HN 0.252 nan 8.210 nan 0.000 0.413 93 T N 0.821 115.549 114.554 0.290 0.000 2.788 93 T HA -0.134 4.217 4.350 0.001 0.000 0.268 93 T C 2.031 176.961 174.700 0.383 0.000 1.044 93 T CA 1.966 64.228 62.100 0.270 0.000 1.139 93 T CB -0.432 68.589 68.868 0.254 0.000 0.867 93 T HN 0.357 nan 8.240 nan 0.000 0.454 94 I N 1.752 122.596 120.570 0.457 0.000 2.202 94 I HA -0.148 4.023 4.170 0.001 0.000 0.242 94 I C 2.776 179.060 176.117 0.278 0.000 1.091 94 I CA 1.153 62.696 61.300 0.404 0.000 1.368 94 I CB -0.702 37.466 38.000 0.280 0.000 1.058 94 I HN 0.184 nan 8.210 nan 0.000 0.410 95 V N -0.534 119.543 119.914 0.271 0.000 2.548 95 V HA -0.071 4.049 4.120 0.001 0.000 0.249 95 V C 2.600 178.770 176.094 0.128 0.000 1.055 95 V CA 1.420 63.836 62.300 0.192 0.000 1.065 95 V CB -1.184 30.767 31.823 0.214 0.000 0.681 95 V HN 0.306 nan 8.190 nan 0.000 0.462 96 A N 0.828 123.739 122.820 0.153 0.000 1.933 96 A HA -0.155 4.166 4.320 0.001 0.000 0.218 96 A C 2.347 179.963 177.584 0.052 0.000 1.175 96 A CA 2.625 54.714 52.037 0.087 0.000 0.628 96 A CB -1.327 17.728 19.000 0.092 0.000 0.814 96 A HN 0.562 nan 8.150 nan 0.000 0.444 97 T N 0.226 114.849 114.554 0.114 0.000 2.746 97 T HA -0.009 4.342 4.350 0.001 0.000 0.267 97 T C 2.251 176.945 174.700 -0.010 0.000 1.039 97 T CA 1.532 63.692 62.100 0.100 0.000 1.142 97 T CB -0.473 68.570 68.868 0.291 0.000 0.866 97 T HN 0.610 nan 8.240 nan 0.000 0.444 98 A N 1.482 124.316 122.820 0.024 0.000 1.892 98 A HA -0.068 4.253 4.320 0.001 0.000 0.218 98 A C 2.309 179.834 177.584 -0.098 0.000 1.188 98 A CA 1.334 53.352 52.037 -0.031 0.000 0.631 98 A CB -1.046 17.961 19.000 0.011 0.000 0.822 98 A HN 0.463 nan 8.150 nan 0.000 0.447 99 L N -0.717 120.445 121.223 -0.102 0.000 1.971 99 L HA -0.212 4.128 4.340 0.001 0.000 0.215 99 L C 2.687 179.428 176.870 -0.214 0.000 1.072 99 L CA 1.898 56.624 54.840 -0.190 0.000 0.758 99 L CB -0.967 40.975 42.059 -0.195 0.000 0.889 99 L HN 0.500 nan 8.230 nan 0.000 0.433 100 G N -0.545 108.158 108.800 -0.161 0.000 2.485 100 G HA2 -0.248 3.712 3.960 0.001 0.000 0.221 100 G HA3 -0.248 3.712 3.960 0.001 0.000 0.221 100 G C 1.520 176.292 174.900 -0.212 0.000 1.115 100 G CA 0.650 45.653 45.100 -0.161 0.000 0.751 100 G HN 0.382 nan 8.290 nan 0.000 0.567 101 L N -0.589 120.490 121.223 -0.242 0.000 2.375 101 L HA 0.198 4.539 4.340 0.001 0.000 0.215 101 L C 2.902 179.654 176.870 -0.196 0.000 1.108 101 L CA 0.044 54.720 54.840 -0.273 0.000 0.830 101 L CB -0.215 41.651 42.059 -0.322 0.000 0.959 101 L HN 0.219 nan 8.230 nan 0.000 0.457 102 M N 0.197 119.685 119.600 -0.187 0.000 2.080 102 M HA -0.163 4.318 4.480 0.001 0.000 0.260 102 M C -0.328 175.877 176.300 -0.159 0.000 1.068 102 M CA 2.247 57.448 55.300 -0.166 0.000 1.109 102 M CB -1.216 31.272 32.600 -0.187 0.000 1.342 102 M HN 0.065 nan 8.290 nan 0.000 0.405 103 P HA -0.140 nan 4.420 nan 0.000 0.216 103 P C 1.522 178.740 177.300 -0.136 0.000 1.150 103 P CA 1.299 64.304 63.100 -0.158 0.000 0.843 103 P CB -0.107 31.494 31.700 -0.166 0.000 0.787 104 V N -0.975 118.857 119.914 -0.138 0.000 2.548 104 V HA -0.176 3.945 4.120 0.001 0.000 0.249 104 V C 2.255 178.307 176.094 -0.071 0.000 1.055 104 V CA 1.429 63.668 62.300 -0.103 0.000 1.065 104 V CB -0.933 30.833 31.823 -0.094 0.000 0.681 104 V HN 0.067 nan 8.190 nan 0.000 0.462 105 I N -0.625 119.896 120.570 -0.082 0.000 2.500 105 I HA -0.155 4.016 4.170 0.001 0.000 0.252 105 I C 2.053 178.132 176.117 -0.063 0.000 1.142 105 I CA 1.326 62.589 61.300 -0.062 0.000 1.451 105 I CB -0.069 37.891 38.000 -0.067 0.000 1.093 105 I HN 0.243 nan 8.210 nan 0.000 0.430 106 L N 0.267 121.440 121.223 -0.083 0.000 2.307 106 L HA 0.001 4.342 4.340 0.001 0.000 0.211 106 L C 1.618 178.436 176.870 -0.085 0.000 1.099 106 L CA -0.210 54.577 54.840 -0.090 0.000 0.816 106 L CB -0.451 41.538 42.059 -0.117 0.000 0.952 106 L HN 0.426 nan 8.230 nan 0.000 0.455 107 C N 0.809 120.060 119.300 -0.081 0.000 2.679 107 C HA 0.069 4.529 4.460 0.001 0.000 0.417 107 C C 0.969 175.931 174.990 -0.048 0.000 1.302 107 C CA -0.721 58.256 59.018 -0.069 0.000 1.973 107 C CB -0.151 27.547 27.740 -0.070 0.000 2.715 107 C HN 0.569 nan 8.230 nan 0.000 0.628 108 D N 1.450 121.825 120.400 -0.041 0.000 2.587 108 D HA 0.187 4.828 4.640 0.001 0.000 0.233 108 D C 0.241 176.533 176.300 -0.012 0.000 1.213 108 D CA 0.180 54.163 54.000 -0.027 0.000 0.827 108 D CB -0.250 40.532 40.800 -0.030 0.000 1.006 108 D HN 0.553 nan 8.370 nan 0.000 0.490 109 S N 0.716 116.412 115.700 -0.006 0.000 2.475 109 S HA 0.327 4.797 4.470 0.001 0.000 0.249 109 S C -1.714 172.901 174.600 0.025 0.000 1.298 109 S CA -1.510 56.696 58.200 0.010 0.000 1.125 109 S CB 0.898 64.105 63.200 0.012 0.000 1.054 109 S HN -0.187 nan 8.310 nan 0.000 0.484 110 P HA -0.161 nan 4.420 nan 0.000 0.217 110 P C 1.577 178.900 177.300 0.039 0.000 1.151 110 P CA 1.421 64.537 63.100 0.026 0.000 0.849 110 P CB -0.001 31.709 31.700 0.017 0.000 0.787 111 S N -1.690 114.035 115.700 0.042 0.000 2.428 111 S HA -0.071 4.400 4.470 0.001 0.000 0.230 111 S C 1.838 176.486 174.600 0.079 0.000 1.014 111 S CA 0.553 58.782 58.200 0.047 0.000 0.957 111 S CB -1.349 61.875 63.200 0.040 0.000 0.784 111 S HN -0.004 nan 8.310 nan 0.000 0.499 112 L N 1.681 122.971 121.223 0.112 0.000 2.072 112 L HA 0.011 4.352 4.340 0.001 0.000 0.205 112 L C 2.686 179.710 176.870 0.257 0.000 1.079 112 L CA 1.680 56.651 54.840 0.219 0.000 0.752 112 L CB -0.729 41.426 42.059 0.161 0.000 0.906 112 L HN 0.304 nan 8.230 nan 0.000 0.436 113 Q N -0.820 119.065 119.800 0.141 0.000 2.002 113 Q HA -0.262 4.079 4.340 0.001 0.000 0.204 113 Q C 2.149 178.222 176.000 0.121 0.000 0.988 113 Q CA 1.756 57.632 55.803 0.122 0.000 0.843 113 Q CB -0.467 28.308 28.738 0.061 0.000 0.908 113 Q HN 0.463 nan 8.270 nan 0.000 0.420 114 E N 1.225 121.470 120.200 0.075 0.000 2.108 114 E HA -0.283 4.068 4.350 0.001 0.000 0.203 114 E C 1.959 178.575 176.600 0.026 0.000 1.022 114 E CA 1.464 57.891 56.400 0.046 0.000 0.823 114 E CB -0.054 29.661 29.700 0.025 0.000 0.744 114 E HN 0.198 nan 8.360 nan 0.000 0.456 115 K N -0.960 119.433 120.400 -0.012 0.000 2.057 115 K HA -0.124 4.196 4.320 0.001 0.000 0.206 115 K C 2.122 178.587 176.600 -0.225 0.000 1.050 115 K CA 1.299 57.479 56.287 -0.180 0.000 0.935 115 K CB -0.097 32.193 32.500 -0.350 0.000 0.715 115 K HN 0.054 nan 8.250 nan 0.000 0.439 116 F N 0.489 120.489 119.950 0.082 0.000 2.446 116 F HA 0.114 4.642 4.527 0.001 0.000 0.292 116 F C 1.763 177.685 175.800 0.204 0.000 1.096 116 F CA 0.289 58.363 58.000 0.123 0.000 1.438 116 F CB 0.090 39.136 39.000 0.077 0.000 1.107 116 F HN -0.103 nan 8.300 nan 0.000 0.546 117 L N -0.049 121.360 121.223 0.309 0.000 2.610 117 L HA -0.079 4.261 4.340 0.001 0.000 0.232 117 L C 2.299 179.351 176.870 0.303 0.000 1.149 117 L CA 0.516 55.530 54.840 0.290 0.000 0.872 117 L CB -0.439 41.711 42.059 0.152 0.000 0.992 117 L HN 0.114 nan 8.230 nan 0.000 0.447 118 K N 1.197 121.718 120.400 0.202 0.000 2.001 118 K HA -0.183 4.138 4.320 0.001 0.000 0.214 118 K C -0.530 176.120 176.600 0.084 0.000 1.050 118 K CA 1.761 58.111 56.287 0.106 0.000 0.934 118 K CB -0.724 31.796 32.500 0.033 0.000 0.718 118 K HN 0.216 nan 8.250 nan 0.000 0.443 119 P HA -0.072 nan 4.420 nan 0.000 0.229 119 P C 0.607 177.788 177.300 -0.199 0.000 1.160 119 P CA 1.044 64.058 63.100 -0.143 0.000 0.777 119 P CB -0.031 31.497 31.700 -0.287 0.000 0.814 120 F N -0.309 119.687 119.950 0.076 0.000 2.710 120 F HA 0.123 4.651 4.527 0.001 0.000 0.298 120 F C 1.880 177.708 175.800 0.046 0.000 1.137 120 F CA 0.543 58.589 58.000 0.076 0.000 1.444 120 F CB -0.677 38.377 39.000 0.089 0.000 1.111 120 F HN -0.100 nan 8.300 nan 0.000 0.580 121 I N -3.341 117.330 120.570 0.168 0.000 4.082 121 I HA 0.215 4.385 4.170 0.001 0.000 0.337 121 I C 1.862 178.006 176.117 0.044 0.000 1.352 121 I CA 0.385 61.742 61.300 0.096 0.000 1.097 121 I CB -0.234 37.817 38.000 0.084 0.000 1.048 121 I HN -0.005 nan 8.210 nan 0.000 0.393 122 S N 1.271 116.986 115.700 0.025 0.000 2.446 122 S HA 0.201 4.672 4.470 0.001 0.000 0.225 122 S C 1.839 176.435 174.600 -0.007 0.000 1.016 122 S CA 0.774 58.974 58.200 0.000 0.000 0.943 122 S CB -0.458 62.731 63.200 -0.018 0.000 0.786 122 S HN 0.893 nan 8.310 nan 0.000 0.508 123 G N 1.192 109.988 108.800 -0.007 0.000 2.136 123 G HA2 -0.236 3.724 3.960 0.001 0.000 0.242 123 G HA3 -0.236 3.724 3.960 0.001 0.000 0.242 123 G C -0.259 174.630 174.900 -0.020 0.000 0.989 123 G CA 0.408 45.500 45.100 -0.013 0.000 0.682 123 G HN 0.927 nan 8.290 nan 0.000 0.522 124 E N -0.163 120.023 120.200 -0.024 0.000 2.343 124 E HA 0.595 4.945 4.350 0.001 0.000 0.270 124 E C 0.829 177.415 176.600 -0.022 0.000 0.895 124 E CA 0.226 56.612 56.400 -0.024 0.000 0.767 124 E CB 1.667 31.351 29.700 -0.026 0.000 1.248 124 E HN 1.714 nan 8.360 nan 0.000 0.440 125 G N 2.554 111.344 108.800 -0.016 0.000 2.645 125 G HA2 -0.269 3.692 3.960 0.001 0.000 0.246 125 G HA3 -0.269 3.692 3.960 0.001 0.000 0.246 125 G C -0.708 174.224 174.900 0.054 0.000 1.322 125 G CA 0.367 45.466 45.100 -0.000 0.000 0.898 125 G HN 0.580 nan 8.290 nan 0.000 0.573 126 E N 1.138 121.419 120.200 0.135 0.000 3.898 126 E HA 0.398 4.748 4.350 0.001 0.000 0.219 126 E C -2.455 174.474 176.600 0.549 0.000 1.207 126 E CA -1.260 55.384 56.400 0.407 0.000 1.240 126 E CB 1.469 31.370 29.700 0.334 0.000 1.239 126 E HN 0.525 nan 8.360 nan 0.000 0.422 127 P HA 0.080 nan 4.420 nan 0.000 0.276 127 P C -0.464 177.082 177.300 0.410 0.000 1.235 127 P CA -0.075 63.090 63.100 0.108 0.000 0.772 127 P CB 1.045 32.410 31.700 -0.559 0.000 0.871 128 L N 2.665 124.103 121.223 0.358 0.000 2.317 128 L HA 0.710 5.050 4.340 0.001 0.000 0.281 128 L C 0.554 177.701 176.870 0.463 0.000 1.024 128 L CA -0.780 54.254 54.840 0.323 0.000 0.810 128 L CB 1.674 43.725 42.059 -0.013 0.000 1.240 128 L HN 0.394 nan 8.230 nan 0.000 0.427 129 A N 2.144 125.177 122.820 0.355 0.000 2.380 129 A HA 0.825 5.145 4.320 0.001 0.000 0.315 129 A C -0.712 176.897 177.584 0.042 0.000 1.101 129 A CA -0.509 51.605 52.037 0.128 0.000 0.771 129 A CB 2.001 20.883 19.000 -0.197 0.000 1.287 129 A HN 0.538 nan 8.150 nan 0.000 0.436 130 S N 0.678 116.383 115.700 0.008 0.000 2.566 130 S HA 0.481 4.952 4.470 0.001 0.000 0.273 130 S C -1.786 172.798 174.600 -0.027 0.000 1.157 130 S CA -0.466 57.732 58.200 -0.004 0.000 0.938 130 S CB 1.104 64.316 63.200 0.020 0.000 1.087 130 S HN 1.419 nan 8.310 nan 0.000 0.474 131 L N 6.115 127.308 121.223 -0.050 0.000 2.270 131 L HA 0.575 4.916 4.340 0.001 0.000 0.286 131 L C -0.413 176.473 176.870 0.027 0.000 1.059 131 L CA 0.058 54.860 54.840 -0.064 0.000 0.839 131 L CB 0.212 42.157 42.059 -0.190 0.000 1.221 131 L HN 0.794 nan 8.230 nan 0.000 0.431 132 M N 5.266 124.890 119.600 0.040 0.000 2.497 132 M HA 0.156 4.636 4.480 0.001 0.000 0.336 132 M C 0.549 176.901 176.300 0.087 0.000 1.378 132 M CA 0.079 55.422 55.300 0.072 0.000 1.375 132 M CB 0.116 32.761 32.600 0.074 0.000 1.337 132 M HN 0.671 nan 8.290 nan 0.000 0.461 133 H N 0.276 119.348 119.070 0.004 0.000 2.326 133 H HA 0.270 4.827 4.556 0.001 0.000 0.272 133 H C 0.266 175.532 175.328 -0.104 0.000 0.949 133 H CA 0.196 56.194 56.048 -0.082 0.000 1.175 133 H CB 0.744 30.460 29.762 -0.077 0.000 1.462 133 H HN 0.454 nan 8.280 nan 0.000 0.514 134 S N 1.106 116.813 115.700 0.011 0.000 2.576 134 S HA 0.142 4.612 4.470 0.001 0.000 0.272 134 S C -0.183 174.424 174.600 0.011 0.000 1.352 134 S CA 0.086 58.295 58.200 0.016 0.000 1.021 134 S CB 0.992 64.330 63.200 0.230 0.000 0.887 134 S HN 0.396 nan 8.310 nan 0.000 0.542 135 E N 0.448 120.668 120.200 0.033 0.000 2.413 135 E HA 0.235 4.585 4.350 0.001 0.000 0.277 135 E C -2.186 174.408 176.600 -0.010 0.000 0.958 135 E CA -1.988 54.402 56.400 -0.016 0.000 0.779 135 E CB 1.461 31.130 29.700 -0.050 0.000 1.278 135 E HN 0.157 nan 8.360 nan 0.000 0.456 136 P HA -0.200 nan 4.420 nan 0.000 0.217 136 P C 0.371 177.649 177.300 -0.036 0.000 1.151 136 P CA 1.563 64.572 63.100 -0.152 0.000 0.849 136 P CB 0.139 31.745 31.700 -0.157 0.000 0.787 137 N N -1.637 117.059 118.700 -0.007 0.000 2.336 137 N HA 0.193 4.934 4.740 0.001 0.000 0.189 137 N C 0.642 176.170 175.510 0.029 0.000 1.113 137 N CA 0.318 53.375 53.050 0.011 0.000 0.858 137 N CB 0.271 38.764 38.487 0.010 0.000 0.970 137 N HN 0.133 nan 8.380 nan 0.000 0.471 138 G N 0.073 108.899 108.800 0.044 0.000 2.541 138 G HA2 -0.182 3.778 3.960 0.001 0.000 0.686 138 G HA3 -0.182 3.778 3.960 0.001 0.000 0.686 138 G C 0.164 175.072 174.900 0.013 0.000 1.286 138 G CA -0.137 44.989 45.100 0.043 0.000 0.894 138 G HN 0.142 nan 8.290 nan 0.000 0.575 139 T N -3.437 111.119 114.554 0.004 0.000 3.131 139 T HA 0.574 4.924 4.350 0.001 0.000 0.283 139 T C 2.220 176.987 174.700 0.112 0.000 0.906 139 T CA 1.490 63.589 62.100 -0.002 0.000 0.882 139 T CB 0.292 69.050 68.868 -0.184 0.000 1.208 139 T HN 2.138 nan 8.240 nan 0.000 0.561 140 A N 2.727 125.590 122.820 0.071 0.000 2.032 140 A HA -0.096 4.224 4.320 0.001 0.000 0.221 140 A C 1.659 179.340 177.584 0.162 0.000 1.165 140 A CA 1.801 53.894 52.037 0.094 0.000 0.645 140 A CB -0.826 18.195 19.000 0.034 0.000 0.807 140 A HN 0.661 nan 8.150 nan 0.000 0.453 141 N N -0.662 118.133 118.700 0.159 0.000 2.234 141 N HA 0.075 4.816 4.740 0.001 0.000 0.227 141 N C 0.985 176.590 175.510 0.158 0.000 1.151 141 N CA 0.166 53.289 53.050 0.121 0.000 0.865 141 N CB 0.158 38.682 38.487 0.062 0.000 1.066 141 N HN 0.829 nan 8.380 nan 0.000 0.515 142 W N 0.327 121.624 121.300 -0.006 0.000 2.387 142 W HA -0.022 4.638 4.660 0.001 0.000 0.272 142 W C 0.019 176.540 176.519 0.005 0.000 1.224 142 W CA 0.471 57.814 57.345 -0.004 0.000 1.210 142 W CB -0.634 28.831 29.460 0.009 0.000 1.125 142 W HN 0.113 nan 8.180 nan 0.000 0.572 143 L N 0.958 121.899 121.223 -0.470 0.000 2.640 143 L HA 0.185 4.525 4.340 0.001 0.000 0.230 143 L C 1.335 178.061 176.870 -0.241 0.000 1.123 143 L CA -0.020 54.499 54.840 -0.535 0.000 0.900 143 L CB -0.436 41.194 42.059 -0.715 0.000 1.146 143 L HN -0.119 nan 8.230 nan 0.000 0.484 144 Q N 2.709 122.433 119.800 -0.127 0.000 2.263 144 Q HA -0.004 4.336 4.340 0.001 0.000 0.270 144 Q C 0.107 176.066 176.000 -0.067 0.000 1.104 144 Q CA 0.074 55.832 55.803 -0.075 0.000 0.909 144 Q CB 0.594 29.313 28.738 -0.032 0.000 1.214 144 Q HN 0.083 nan 8.270 nan 0.000 0.400 145 K N 2.942 123.301 120.400 -0.070 0.000 2.491 145 K HA 0.003 4.323 4.320 0.001 0.000 0.279 145 K C 0.688 177.266 176.600 -0.035 0.000 1.026 145 K CA 1.259 57.514 56.287 -0.054 0.000 1.070 145 K CB -0.036 32.434 32.500 -0.051 0.000 0.887 145 K HN 0.892 nan 8.250 nan 0.000 0.481 146 G N 2.352 111.136 108.800 -0.027 0.000 2.176 146 G HA2 -0.227 3.733 3.960 0.001 0.000 0.253 146 G HA3 -0.227 3.733 3.960 0.001 0.000 0.253 146 G C 0.339 175.232 174.900 -0.011 0.000 0.979 146 G CA -0.064 45.026 45.100 -0.017 0.000 0.641 146 G HN 0.960 nan 8.290 nan 0.000 0.530 147 G N -0.302 108.491 108.800 -0.012 0.000 2.522 147 G HA2 0.642 4.602 3.960 0.001 0.000 0.304 147 G HA3 0.642 4.602 3.960 0.001 0.000 0.304 147 G C -0.570 174.333 174.900 0.005 0.000 1.210 147 G CA -0.349 44.750 45.100 -0.002 0.000 0.960 147 G HN 0.059 nan 8.290 nan 0.000 0.497 148 P HA 0.086 nan 4.420 nan 0.000 0.217 148 P C 1.180 178.496 177.300 0.027 0.000 1.150 148 P CA 1.661 64.772 63.100 0.019 0.000 0.832 148 P CB -0.069 31.645 31.700 0.022 0.000 0.787 149 G N -1.025 107.799 108.800 0.040 0.000 2.828 149 G HA2 -0.224 3.736 3.960 0.001 0.000 0.463 149 G HA3 -0.224 3.736 3.960 0.001 0.000 0.463 149 G C -0.618 174.331 174.900 0.082 0.000 1.394 149 G CA -0.737 44.402 45.100 0.065 0.000 0.862 149 G HN 0.260 nan 8.290 nan 0.000 0.540 150 L N 0.388 121.683 121.223 0.120 0.000 2.593 150 L HA -0.015 4.325 4.340 0.001 0.000 0.287 150 L C 1.725 178.615 176.870 0.033 0.000 1.243 150 L CA 0.288 55.168 54.840 0.067 0.000 0.890 150 L CB 0.343 42.445 42.059 0.071 0.000 1.134 150 L HN 0.601 nan 8.230 nan 0.000 0.502 151 Q N 0.827 120.634 119.800 0.013 0.000 2.392 151 Q HA 0.087 4.428 4.340 0.001 0.000 0.203 151 Q C 0.191 176.200 176.000 0.016 0.000 0.917 151 Q CA 0.315 56.128 55.803 0.017 0.000 0.939 151 Q CB 0.301 29.049 28.738 0.018 0.000 1.063 151 Q HN 0.633 nan 8.270 nan 0.000 0.516 152 T N 2.367 116.920 114.554 -0.001 0.000 2.729 152 T HA 0.324 4.675 4.350 0.001 0.000 0.296 152 T C 0.283 174.970 174.700 -0.023 0.000 0.928 152 T CA -0.144 61.947 62.100 -0.015 0.000 1.045 152 T CB 0.832 69.668 68.868 -0.052 0.000 0.902 152 T HN 0.209 nan 8.240 nan 0.000 0.500 153 T N 0.156 114.705 114.554 -0.008 0.000 2.924 153 T HA 0.862 5.213 4.350 0.001 0.000 0.291 153 T C -0.654 174.056 174.700 0.017 0.000 1.045 153 T CA -1.065 61.041 62.100 0.011 0.000 1.015 153 T CB 2.022 70.911 68.868 0.035 0.000 1.103 153 T HN 0.644 nan 8.240 nan 0.000 0.496 154 A N 1.741 124.595 122.820 0.057 0.000 2.454 154 A HA 0.929 5.249 4.320 0.001 0.000 0.302 154 A C -0.412 177.338 177.584 0.278 0.000 1.079 154 A CA -1.300 50.825 52.037 0.146 0.000 0.731 154 A CB 1.498 20.554 19.000 0.092 0.000 1.299 154 A HN 1.198 nan 8.150 nan 0.000 0.413 155 R N 1.034 121.729 120.500 0.326 0.000 2.771 155 R HA 0.651 4.992 4.340 0.001 0.000 0.274 155 R C -1.127 175.167 176.300 -0.010 0.000 0.987 155 R CA -0.860 55.371 56.100 0.217 0.000 0.908 155 R CB 1.712 32.051 30.300 0.066 0.000 1.213 155 R HN 0.530 nan 8.270 nan 0.000 0.468 156 K N 1.664 121.788 120.400 -0.461 0.000 2.172 156 K HA 0.437 4.758 4.320 0.001 0.000 0.276 156 K C -1.236 175.114 176.600 -0.416 0.000 1.013 156 K CA -0.661 55.096 56.287 -0.884 0.000 0.913 156 K CB 1.586 33.312 32.500 -1.289 0.000 1.055 156 K HN 0.443 nan 8.250 nan 0.000 0.461 157 V N 3.202 122.905 119.914 -0.351 0.000 2.610 157 V HA 0.343 4.463 4.120 0.001 0.000 0.298 157 V C 0.373 176.379 176.094 -0.147 0.000 1.067 157 V CA -0.201 61.987 62.300 -0.187 0.000 0.894 157 V CB 0.900 32.657 31.823 -0.110 0.000 1.015 157 V HN 1.178 nan 8.190 nan 0.000 0.432 158 G N 4.317 113.041 108.800 -0.126 0.000 2.566 158 G HA2 -0.307 3.654 3.960 0.001 0.000 0.280 158 G HA3 -0.307 3.654 3.960 0.001 0.000 0.280 158 G C 0.416 175.233 174.900 -0.138 0.000 1.225 158 G CA 0.653 45.695 45.100 -0.097 0.000 0.966 158 G HN 0.800 nan 8.290 nan 0.000 0.560 159 N N 2.639 121.287 118.700 -0.087 0.000 2.558 159 N HA 0.237 4.977 4.740 0.001 0.000 0.281 159 N C -0.232 175.282 175.510 0.008 0.000 1.219 159 N CA 0.771 53.772 53.050 -0.081 0.000 0.942 159 N CB -0.200 38.257 38.487 -0.050 0.000 1.241 159 N HN 0.679 nan 8.380 nan 0.000 0.511 160 E N -0.812 119.352 120.200 -0.061 0.000 2.413 160 E HA 0.283 4.634 4.350 0.001 0.000 0.277 160 E C -1.500 175.009 176.600 -0.153 0.000 0.958 160 E CA -0.945 55.468 56.400 0.021 0.000 0.779 160 E CB 0.759 30.525 29.700 0.110 0.000 1.278 160 E HN 0.024 nan 8.360 nan 0.000 0.456 161 W N 0.900 122.221 121.300 0.035 0.000 2.496 161 W HA 0.525 5.186 4.660 0.001 0.000 0.327 161 W C -0.779 175.691 176.519 -0.083 0.000 1.086 161 W CA -0.650 56.689 57.345 -0.009 0.000 1.222 161 W CB 1.789 31.255 29.460 0.010 0.000 1.304 161 W HN 0.212 nan 8.180 nan 0.000 0.547 162 V N 5.564 125.534 119.914 0.094 0.000 2.357 162 V HA 0.360 4.481 4.120 0.001 0.000 0.284 162 V C 0.035 176.178 176.094 0.082 0.000 1.018 162 V CA -0.936 61.335 62.300 -0.049 0.000 0.841 162 V CB 0.564 32.245 31.823 -0.235 0.000 0.991 162 V HN 0.351 nan 8.190 nan 0.000 0.437 163 I N 4.716 125.361 120.570 0.125 0.000 2.396 163 I HA 0.578 4.749 4.170 0.001 0.000 0.292 163 I C 0.327 176.517 176.117 0.122 0.000 0.999 163 I CA 0.069 61.403 61.300 0.056 0.000 1.310 163 I CB 1.717 39.620 38.000 -0.161 0.000 1.404 163 I HN 0.702 nan 8.210 nan 0.000 0.496 164 S N 3.561 119.309 115.700 0.080 0.000 2.549 164 S HA 0.985 5.456 4.470 0.001 0.000 0.280 164 S C -0.318 174.339 174.600 0.095 0.000 1.109 164 S CA -0.375 57.899 58.200 0.123 0.000 0.905 164 S CB 2.293 65.552 63.200 0.098 0.000 1.081 164 S HN 1.276 nan 8.310 nan 0.000 0.477 165 G N 1.272 110.149 108.800 0.128 0.000 2.331 165 G HA2 0.272 4.233 3.960 0.001 0.000 0.402 165 G HA3 0.272 4.233 3.960 0.001 0.000 0.402 165 G C -2.046 172.936 174.900 0.138 0.000 1.275 165 G CA -0.908 44.251 45.100 0.097 0.000 1.003 165 G HN 0.838 nan 8.290 nan 0.000 0.500 166 E N 0.001 120.257 120.200 0.093 0.000 2.266 166 E HA 0.603 4.953 4.350 0.001 0.000 0.268 166 E C -0.752 175.894 176.600 0.078 0.000 0.879 166 E CA -1.069 55.370 56.400 0.066 0.000 0.762 166 E CB 2.304 32.045 29.700 0.069 0.000 1.199 166 E HN 0.302 nan 8.360 nan 0.000 0.422 167 K N 1.635 122.073 120.400 0.064 0.000 2.281 167 K HA 0.621 4.942 4.320 0.001 0.000 0.242 167 K C -0.857 175.733 176.600 -0.017 0.000 0.971 167 K CA -0.812 55.494 56.287 0.033 0.000 0.834 167 K CB 1.905 34.450 32.500 0.074 0.000 1.181 167 K HN 0.446 nan 8.250 nan 0.000 0.435 168 L N 0.904 122.077 121.223 -0.084 0.000 2.472 168 L HA 0.292 4.633 4.340 0.001 0.000 0.260 168 L C -0.804 175.972 176.870 -0.156 0.000 0.963 168 L CA -0.263 54.387 54.840 -0.317 0.000 0.829 168 L CB 1.316 42.988 42.059 -0.645 0.000 1.348 168 L HN 0.898 nan 8.230 nan 0.000 0.408 169 W N 0.300 121.565 121.300 -0.059 0.000 1.277 169 W HA -0.193 4.468 4.660 0.001 0.000 0.236 169 W C -1.888 174.615 176.519 -0.027 0.000 0.973 169 W CA -0.422 56.899 57.345 -0.040 0.000 0.390 169 W CB -2.114 27.331 29.460 -0.024 0.000 1.977 169 W HN 0.323 nan 8.180 nan 0.000 1.223 170 P HA 0.264 nan 4.420 nan 0.000 0.276 170 P C 0.300 177.626 177.300 0.043 0.000 1.264 170 P CA 0.537 63.702 63.100 0.109 0.000 0.769 170 P CB 1.266 33.013 31.700 0.078 0.000 0.840 171 S N 3.795 119.521 115.700 0.043 0.000 2.552 171 S HA -0.009 4.462 4.470 0.001 0.000 0.289 171 S C 0.985 175.536 174.600 -0.082 0.000 1.304 171 S CA 0.241 58.423 58.200 -0.030 0.000 1.063 171 S CB -0.485 62.724 63.200 0.016 0.000 0.848 171 S HN 0.538 nan 8.310 nan 0.000 0.499 172 N N 0.461 119.034 118.700 -0.211 0.000 2.900 172 N HA -0.225 4.516 4.740 0.001 0.000 0.240 172 N C 1.293 176.753 175.510 -0.083 0.000 0.953 172 N CA 1.418 54.346 53.050 -0.203 0.000 0.950 172 N CB -2.025 36.390 38.487 -0.120 0.000 1.102 172 N HN 0.733 nan 8.380 nan 0.000 0.593 173 S N -0.795 114.879 115.700 -0.043 0.000 2.402 173 S HA -0.084 4.387 4.470 0.001 0.000 0.233 173 S C 1.944 176.598 174.600 0.091 0.000 1.030 173 S CA 1.482 59.700 58.200 0.029 0.000 1.003 173 S CB -0.692 62.519 63.200 0.018 0.000 0.813 173 S HN 0.568 nan 8.310 nan 0.000 0.477 174 G N 0.422 109.276 108.800 0.090 0.000 2.880 174 G HA2 0.469 4.430 3.960 0.001 0.000 0.209 174 G HA3 0.469 4.430 3.960 0.001 0.000 0.209 174 G C 0.924 175.974 174.900 0.250 0.000 1.157 174 G CA 0.162 45.401 45.100 0.232 0.000 0.779 174 G HN 1.235 nan 8.290 nan 0.000 0.539 175 G N -0.894 107.977 108.800 0.118 0.000 2.645 175 G HA2 -0.292 3.669 3.960 0.001 0.000 0.239 175 G HA3 -0.292 3.669 3.960 0.001 0.000 0.239 175 G C 0.543 175.481 174.900 0.063 0.000 1.331 175 G CA 0.086 45.207 45.100 0.035 0.000 0.890 175 G HN 0.275 nan 8.290 nan 0.000 0.572 176 W N 0.465 121.876 121.300 0.186 0.000 2.678 176 W HA 0.270 4.930 4.660 0.001 0.000 0.256 176 W C 1.976 178.511 176.519 0.026 0.000 1.280 176 W CA 1.023 58.411 57.345 0.071 0.000 1.345 176 W CB 0.228 29.647 29.460 -0.068 0.000 1.118 176 W HN 0.691 nan 8.180 nan 0.000 0.629 177 D N -3.234 117.305 120.400 0.232 0.000 2.594 177 D HA -0.068 4.572 4.640 0.001 0.000 0.256 177 D C 0.104 176.498 176.300 0.156 0.000 1.393 177 D CA -0.669 53.398 54.000 0.112 0.000 0.797 177 D CB -1.008 39.875 40.800 0.140 0.000 1.110 177 D HN 0.064 nan 8.370 nan 0.000 0.495 178 Y N 0.606 121.001 120.300 0.159 0.000 4.324 178 Y HA -0.247 4.303 4.550 0.001 0.000 0.224 178 Y C 0.853 176.861 175.900 0.180 0.000 1.113 178 Y CA 0.113 58.304 58.100 0.152 0.000 1.887 178 Y CB -2.545 35.981 38.460 0.109 0.000 1.602 178 Y HN 0.273 nan 8.280 nan 0.000 0.654 179 K N 0.019 120.584 120.400 0.274 0.000 2.373 179 K HA 0.466 4.787 4.320 0.001 0.000 0.202 179 K C 1.051 177.675 176.600 0.040 0.000 1.025 179 K CA 0.589 56.962 56.287 0.143 0.000 1.115 179 K CB 0.618 33.184 32.500 0.110 0.000 0.858 179 K HN 0.446 nan 8.250 nan 0.000 0.525 180 G N 0.819 109.698 108.800 0.131 0.000 2.525 180 G HA2 0.058 4.018 3.960 0.001 0.000 0.685 180 G HA3 0.058 4.018 3.960 0.001 0.000 0.685 180 G C -0.836 174.140 174.900 0.127 0.000 1.285 180 G CA -0.675 44.481 45.100 0.094 0.000 0.849 180 G HN 0.175 nan 8.290 nan 0.000 0.653 181 A N 0.087 122.985 122.820 0.131 0.000 2.406 181 A HA 0.579 4.900 4.320 0.001 0.000 0.243 181 A C 1.220 178.905 177.584 0.168 0.000 1.082 181 A CA 1.056 53.169 52.037 0.128 0.000 0.786 181 A CB 0.126 19.197 19.000 0.118 0.000 1.029 181 A HN 0.865 nan 8.150 nan 0.000 0.495 182 D N -1.065 119.464 120.400 0.215 0.000 2.218 182 D HA 0.102 4.742 4.640 0.001 0.000 0.204 182 D C -0.013 176.481 176.300 0.323 0.000 0.976 182 D CA 1.345 55.489 54.000 0.241 0.000 0.853 182 D CB -0.025 40.887 40.800 0.187 0.000 0.939 182 D HN 0.241 nan 8.370 nan 0.000 0.481 183 L N -0.444 120.982 121.223 0.339 0.000 2.580 183 L HA 0.591 4.931 4.340 0.001 0.000 0.266 183 L C -1.845 175.098 176.870 0.122 0.000 0.955 183 L CA -0.841 54.150 54.840 0.252 0.000 0.886 183 L CB 1.492 43.729 42.059 0.295 0.000 1.263 183 L HN -0.148 nan 8.230 nan 0.000 0.406 184 A N 4.043 126.914 122.820 0.086 0.000 2.331 184 A HA 0.726 5.047 4.320 0.001 0.000 0.320 184 A C -0.726 176.848 177.584 -0.017 0.000 1.138 184 A CA -0.450 51.617 52.037 0.049 0.000 0.790 184 A CB 1.034 20.099 19.000 0.108 0.000 1.206 184 A HN 0.769 nan 8.150 nan 0.000 0.470 185 C N 3.119 122.387 119.300 -0.053 0.000 2.223 185 C HA 0.492 4.952 4.460 0.001 0.000 0.324 185 C C 0.340 175.291 174.990 -0.064 0.000 1.196 185 C CA -0.618 58.345 59.018 -0.093 0.000 1.628 185 C CB -0.680 26.985 27.740 -0.126 0.000 2.229 185 C HN 0.569 nan 8.230 nan 0.000 0.486 186 V N 5.113 124.975 119.914 -0.088 0.000 2.383 186 V HA 0.257 4.378 4.120 0.001 0.000 0.275 186 V C 0.220 176.244 176.094 -0.117 0.000 1.036 186 V CA -0.281 61.954 62.300 -0.108 0.000 0.889 186 V CB 1.174 32.866 31.823 -0.218 0.000 0.985 186 V HN 0.638 nan 8.190 nan 0.000 0.459 187 V N 4.752 124.625 119.914 -0.068 0.000 2.432 187 V HA 0.303 4.424 4.120 0.001 0.000 0.271 187 V C 0.146 176.202 176.094 -0.063 0.000 1.046 187 V CA -0.144 62.140 62.300 -0.027 0.000 0.945 187 V CB 0.846 32.721 31.823 0.087 0.000 0.992 187 V HN 1.022 nan 8.190 nan 0.000 0.471 188 C N 4.953 124.218 119.300 -0.058 0.000 2.634 188 C HA 0.626 5.087 4.460 0.001 0.000 0.313 188 C C 0.290 175.279 174.990 -0.001 0.000 1.198 188 C CA -1.116 57.864 59.018 -0.063 0.000 1.605 188 C CB 1.668 29.331 27.740 -0.129 0.000 2.196 188 C HN 0.951 nan 8.230 nan 0.000 0.486 189 R N 1.499 122.012 120.500 0.022 0.000 2.221 189 R HA 0.552 4.893 4.340 0.001 0.000 0.327 189 R C -0.901 175.416 176.300 0.028 0.000 1.033 189 R CA -0.216 55.907 56.100 0.038 0.000 0.887 189 R CB 0.630 30.963 30.300 0.055 0.000 1.057 189 R HN 0.647 nan 8.270 nan 0.000 0.455 190 V N 3.874 123.807 119.914 0.032 0.000 2.529 190 V HA 0.112 4.233 4.120 0.001 0.000 0.292 190 V C 0.089 176.235 176.094 0.086 0.000 1.028 190 V CA 0.666 63.018 62.300 0.086 0.000 1.074 190 V CB 1.115 33.007 31.823 0.115 0.000 0.958 190 V HN 0.835 nan 8.190 nan 0.000 0.481 191 S N 2.966 118.728 115.700 0.102 0.000 2.626 191 S HA 0.283 4.754 4.470 0.001 0.000 0.275 191 S C 0.270 174.914 174.600 0.073 0.000 1.175 191 S CA -0.735 57.509 58.200 0.073 0.000 0.982 191 S CB 1.543 64.775 63.200 0.052 0.000 1.093 191 S HN 0.765 nan 8.310 nan 0.000 0.472 192 D N 2.283 122.717 120.400 0.055 0.000 2.183 192 D HA 0.039 4.680 4.640 0.001 0.000 0.203 192 D C 0.016 176.332 176.300 0.026 0.000 0.969 192 D CA 1.151 55.172 54.000 0.035 0.000 0.842 192 D CB 0.210 41.023 40.800 0.022 0.000 0.957 192 D HN 0.650 nan 8.370 nan 0.000 0.484 193 D N -0.651 119.766 120.400 0.028 0.000 2.389 193 D HA 0.132 4.772 4.640 0.001 0.000 0.256 193 D C -1.867 174.449 176.300 0.027 0.000 1.239 193 D CA -1.903 52.111 54.000 0.024 0.000 0.925 193 D CB 1.851 42.661 40.800 0.018 0.000 1.145 193 D HN -0.169 nan 8.370 nan 0.000 0.542 194 P HA -0.149 nan 4.420 nan 0.000 0.222 194 P C 1.204 178.520 177.300 0.026 0.000 1.147 194 P CA 0.706 63.825 63.100 0.032 0.000 0.790 194 P CB 0.167 31.889 31.700 0.037 0.000 0.780 195 S N -1.223 114.491 115.700 0.023 0.000 2.447 195 S HA -0.061 4.409 4.470 0.001 0.000 0.233 195 S C 1.060 175.670 174.600 0.017 0.000 1.006 195 S CA 0.460 58.672 58.200 0.020 0.000 0.957 195 S CB -0.709 62.501 63.200 0.018 0.000 0.773 195 S HN 0.126 nan 8.310 nan 0.000 0.507 196 K N 3.043 123.454 120.400 0.017 0.000 2.205 196 K HA 0.373 4.693 4.320 0.001 0.000 0.279 196 K C -2.485 174.125 176.600 0.016 0.000 1.027 196 K CA -2.231 54.065 56.287 0.015 0.000 0.932 196 K CB 0.658 33.167 32.500 0.014 0.000 1.032 196 K HN 0.254 nan 8.250 nan 0.000 0.466 197 P HA -0.096 nan 4.420 nan 0.000 0.269 197 P C -0.693 176.615 177.300 0.013 0.000 1.217 197 P CA -0.166 62.942 63.100 0.013 0.000 0.783 197 P CB 0.524 32.230 31.700 0.010 0.000 0.898 198 Q N 0.891 120.699 119.800 0.013 0.000 2.315 198 Q HA -0.042 4.299 4.340 0.001 0.000 0.289 198 Q C -0.001 176.001 176.000 0.005 0.000 1.044 198 Q CA -0.043 55.766 55.803 0.010 0.000 0.920 198 Q CB 0.181 28.924 28.738 0.008 0.000 1.214 198 Q HN 0.323 nan 8.270 nan 0.000 0.392 199 D N 5.392 125.794 120.400 0.004 0.000 2.382 199 D HA 0.022 4.662 4.640 0.001 0.000 0.259 199 D C -1.697 174.599 176.300 -0.006 0.000 1.224 199 D CA -1.709 52.292 54.000 0.000 0.000 0.894 199 D CB 1.126 41.928 40.800 0.002 0.000 1.127 199 D HN 0.396 nan 8.370 nan 0.000 0.487 200 P HA -0.032 nan 4.420 nan 0.000 0.242 200 P C 0.403 177.695 177.300 -0.013 0.000 1.197 200 P CA 0.545 63.639 63.100 -0.010 0.000 0.765 200 P CB 0.359 32.055 31.700 -0.008 0.000 0.936 201 N N -0.612 118.081 118.700 -0.011 0.000 2.205 201 N HA 0.087 4.828 4.740 0.001 0.000 0.201 201 N C -0.251 175.250 175.510 -0.014 0.000 1.128 201 N CA -0.016 53.027 53.050 -0.012 0.000 0.867 201 N CB 1.269 39.752 38.487 -0.008 0.000 0.996 201 N HN 0.014 nan 8.380 nan 0.000 0.503 202 V N 1.132 121.036 119.914 -0.016 0.000 2.555 202 V HA 0.204 4.325 4.120 0.001 0.000 0.302 202 V C -1.039 175.036 176.094 -0.032 0.000 1.038 202 V CA -0.712 61.576 62.300 -0.020 0.000 0.887 202 V CB 1.981 33.797 31.823 -0.012 0.000 0.991 202 V HN 0.012 nan 8.190 nan 0.000 0.434 203 D N 7.342 127.718 120.400 -0.039 0.000 2.382 203 D HA 0.262 4.903 4.640 0.001 0.000 0.259 203 D C -1.631 174.624 176.300 -0.075 0.000 1.224 203 D CA -1.265 52.700 54.000 -0.059 0.000 0.894 203 D CB 1.799 42.565 40.800 -0.057 0.000 1.127 203 D HN 0.366 nan 8.370 nan 0.000 0.487 204 P HA -0.177 nan 4.420 nan 0.000 0.217 204 P C 0.940 178.146 177.300 -0.156 0.000 1.148 204 P CA 1.477 64.506 63.100 -0.119 0.000 0.828 204 P CB 0.095 31.701 31.700 -0.157 0.000 0.783 205 A N -0.514 122.190 122.820 -0.194 0.000 2.070 205 A HA -0.172 4.149 4.320 0.001 0.000 0.220 205 A C 2.062 179.583 177.584 -0.106 0.000 1.159 205 A CA 2.173 54.092 52.037 -0.197 0.000 0.656 205 A CB -1.799 17.087 19.000 -0.190 0.000 0.800 205 A HN 0.366 nan 8.150 nan 0.000 0.453 206 T N -3.674 110.835 114.554 -0.075 0.000 3.113 206 T HA 0.040 4.390 4.350 0.001 0.000 0.256 206 T C 1.099 175.785 174.700 -0.025 0.000 1.131 206 T CA 0.748 62.822 62.100 -0.042 0.000 1.074 206 T CB 0.026 68.876 68.868 -0.030 0.000 0.944 206 T HN 0.347 nan 8.240 nan 0.000 0.516 207 Q N 0.596 120.379 119.800 -0.028 0.000 2.204 207 Q HA 0.354 4.695 4.340 0.001 0.000 0.209 207 Q C -0.120 175.878 176.000 -0.003 0.000 0.861 207 Q CA -0.183 55.617 55.803 -0.005 0.000 0.971 207 Q CB 0.304 29.044 28.738 0.003 0.000 1.095 207 Q HN 0.487 nan 8.270 nan 0.000 0.486 208 I N 1.086 121.651 120.570 -0.008 0.000 2.428 208 I HA 0.462 4.633 4.170 0.001 0.000 0.289 208 I C 0.177 176.273 176.117 -0.036 0.000 1.019 208 I CA -0.847 60.470 61.300 0.029 0.000 1.351 208 I CB 0.858 38.916 38.000 0.097 0.000 1.412 208 I HN -0.110 nan 8.210 nan 0.000 0.513 209 A N 6.252 129.028 122.820 -0.074 0.000 2.449 209 A HA 0.764 5.085 4.320 0.001 0.000 0.302 209 A C -1.145 176.329 177.584 -0.183 0.000 1.048 209 A CA -0.500 51.415 52.037 -0.204 0.000 0.708 209 A CB 1.735 20.504 19.000 -0.384 0.000 1.274 209 A HN 0.359 nan 8.150 nan 0.000 0.410 210 V N 3.035 122.821 119.914 -0.214 0.000 2.349 210 V HA 0.386 4.507 4.120 0.001 0.000 0.284 210 V C -0.571 175.377 176.094 -0.244 0.000 1.014 210 V CA -0.119 62.071 62.300 -0.184 0.000 0.826 210 V CB 0.935 32.678 31.823 -0.134 0.000 1.009 210 V HN 0.731 nan 8.190 nan 0.000 0.431 211 L N 5.566 126.648 121.223 -0.236 0.000 2.280 211 L HA 0.474 4.814 4.340 0.001 0.000 0.287 211 L C -0.624 176.149 176.870 -0.162 0.000 1.023 211 L CA -0.710 53.995 54.840 -0.225 0.000 0.819 211 L CB 1.539 43.468 42.059 -0.216 0.000 1.212 211 L HN 0.383 nan 8.230 nan 0.000 0.420 212 L N 5.204 126.314 121.223 -0.188 0.000 2.410 212 L HA 0.258 4.599 4.340 0.001 0.000 0.273 212 L C -0.036 176.819 176.870 -0.026 0.000 1.144 212 L CA 0.256 54.972 54.840 -0.206 0.000 0.863 212 L CB 1.093 42.843 42.059 -0.515 0.000 1.140 212 L HN 0.213 nan 8.230 nan 0.000 0.463 213 V N 3.239 123.180 119.914 0.045 0.000 2.443 213 V HA 0.535 4.655 4.120 0.001 0.000 0.293 213 V C 0.337 176.538 176.094 0.179 0.000 1.021 213 V CA -0.609 61.795 62.300 0.173 0.000 0.848 213 V CB 1.910 33.862 31.823 0.214 0.000 0.998 213 V HN 0.947 nan 8.190 nan 0.000 0.424 214 T N 2.072 116.754 114.554 0.214 0.000 2.889 214 T HA 0.481 4.832 4.350 0.001 0.000 0.278 214 T C 1.125 175.911 174.700 0.144 0.000 0.995 214 T CA -0.644 61.579 62.100 0.205 0.000 0.966 214 T CB 1.521 70.539 68.868 0.249 0.000 1.237 214 T HN 0.428 nan 8.240 nan 0.000 0.591 215 R N 0.083 120.655 120.500 0.120 0.000 2.075 215 R HA -0.048 4.292 4.340 0.001 0.000 0.232 215 R C 2.522 178.861 176.300 0.064 0.000 1.126 215 R CA 1.578 57.722 56.100 0.073 0.000 0.963 215 R CB -0.378 29.971 30.300 0.082 0.000 0.858 215 R HN 0.844 nan 8.270 nan 0.000 0.435 216 E N 0.305 120.552 120.200 0.080 0.000 2.085 216 E HA -0.193 4.157 4.350 0.001 0.000 0.194 216 E C 1.441 178.083 176.600 0.069 0.000 0.994 216 E CA 1.851 58.291 56.400 0.066 0.000 0.801 216 E CB 0.084 29.823 29.700 0.065 0.000 0.743 216 E HN 0.269 nan 8.360 nan 0.000 0.453 217 T N 1.185 115.805 114.554 0.110 0.000 2.665 217 T HA -0.194 4.156 4.350 0.001 0.000 0.268 217 T C 1.889 176.644 174.700 0.091 0.000 1.035 217 T CA 1.686 63.859 62.100 0.121 0.000 1.151 217 T CB -0.251 68.754 68.868 0.228 0.000 0.862 217 T HN 0.202 nan 8.240 nan 0.000 0.438 218 I N 1.323 121.980 120.570 0.144 0.000 2.315 218 I HA -0.100 4.071 4.170 0.001 0.000 0.248 218 I C 2.880 179.021 176.117 0.040 0.000 1.117 218 I CA 0.936 62.307 61.300 0.119 0.000 1.404 218 I CB -0.484 37.406 38.000 -0.184 0.000 1.071 218 I HN 0.177 nan 8.210 nan 0.000 0.419 219 A N 0.960 123.794 122.820 0.023 0.000 1.940 219 A HA -0.207 4.114 4.320 0.001 0.000 0.219 219 A C 1.858 179.443 177.584 0.001 0.000 1.176 219 A CA 1.827 53.876 52.037 0.019 0.000 0.631 219 A CB -0.666 18.348 19.000 0.023 0.000 0.814 219 A HN 0.431 nan 8.150 nan 0.000 0.446 220 N N 0.678 119.366 118.700 -0.020 0.000 2.575 220 N HA 0.000 4.741 4.740 0.001 0.000 0.192 220 N C -0.253 175.201 175.510 -0.094 0.000 1.200 220 N CA 0.311 53.331 53.050 -0.049 0.000 0.897 220 N CB -0.230 38.229 38.487 -0.047 0.000 0.990 220 N HN 0.441 nan 8.380 nan 0.000 0.449 221 N N 0.539 119.187 118.700 -0.087 0.000 2.328 221 N HA 0.215 4.956 4.740 0.001 0.000 0.299 221 N C -0.179 175.334 175.510 0.005 0.000 1.179 221 N CA -0.472 52.522 53.050 -0.094 0.000 0.793 221 N CB 1.891 40.251 38.487 -0.210 0.000 1.366 221 N HN -0.137 nan 8.380 nan 0.000 0.493 222 K N 0.814 121.226 120.400 0.018 0.000 2.455 222 K HA -0.052 4.269 4.320 0.001 0.000 0.269 222 K C 1.318 177.976 176.600 0.097 0.000 0.972 222 K CA 0.080 56.396 56.287 0.049 0.000 0.938 222 K CB 0.775 33.303 32.500 0.047 0.000 0.931 222 K HN 0.314 nan 8.250 nan 0.000 0.507 223 K N 1.746 122.195 120.400 0.082 0.000 2.097 223 K HA -0.135 4.185 4.320 0.001 0.000 0.205 223 K C 0.608 177.277 176.600 0.115 0.000 1.050 223 K CA 1.799 58.145 56.287 0.098 0.000 0.938 223 K CB -0.098 32.444 32.500 0.071 0.000 0.718 223 K HN 0.722 nan 8.250 nan 0.000 0.442 224 D N -0.810 119.646 120.400 0.093 0.000 2.325 224 D HA 0.036 4.677 4.640 0.001 0.000 0.234 224 D C 1.021 177.391 176.300 0.116 0.000 1.122 224 D CA 0.192 54.238 54.000 0.077 0.000 0.850 224 D CB 0.258 41.086 40.800 0.045 0.000 0.921 224 D HN 0.062 nan 8.370 nan 0.000 0.513 225 A N -0.535 122.408 122.820 0.204 0.000 2.081 225 A HA 0.092 4.413 4.320 0.001 0.000 0.214 225 A C 0.170 178.016 177.584 0.437 0.000 1.158 225 A CA 0.175 52.416 52.037 0.339 0.000 0.724 225 A CB -0.249 18.984 19.000 0.388 0.000 0.826 225 A HN 0.344 nan 8.150 nan 0.000 0.463 226 Y N 0.334 120.729 120.300 0.158 0.000 2.329 226 Y HA 0.533 5.083 4.550 0.001 0.000 0.328 226 Y C -0.779 175.034 175.900 -0.145 0.000 0.992 226 Y CA -0.638 57.407 58.100 -0.092 0.000 1.151 226 Y CB 1.034 39.513 38.460 0.031 0.000 1.150 226 Y HN 0.225 nan 8.280 nan 0.000 0.450 227 Q N 6.484 126.003 119.800 -0.468 0.000 2.323 227 Q HA 0.471 4.812 4.340 0.001 0.000 0.271 227 Q C -1.260 174.395 176.000 -0.574 0.000 1.048 227 Q CA -1.044 54.539 55.803 -0.367 0.000 0.792 227 Q CB 2.563 31.149 28.738 -0.253 0.000 1.280 227 Q HN 0.576 nan 8.270 nan 0.000 0.441 228 I N 4.078 124.357 120.570 -0.486 0.000 2.352 228 I HA 0.095 4.266 4.170 0.001 0.000 0.290 228 I C 0.824 176.685 176.117 -0.427 0.000 1.036 228 I CA 0.209 61.161 61.300 -0.581 0.000 1.336 228 I CB 0.830 38.322 38.000 -0.846 0.000 1.407 228 I HN 0.726 nan 8.210 nan 0.000 0.497 229 L N 5.255 126.215 121.223 -0.438 0.000 2.590 229 L HA 0.424 4.764 4.340 0.001 0.000 0.227 229 L C 0.879 177.628 176.870 -0.201 0.000 1.099 229 L CA 0.017 54.656 54.840 -0.336 0.000 0.872 229 L CB 0.377 42.130 42.059 -0.510 0.000 1.088 229 L HN 0.806 nan 8.230 nan 0.000 0.479 230 G N -0.066 108.615 108.800 -0.198 0.000 2.387 230 G HA2 0.353 4.314 3.960 0.001 0.000 0.294 230 G HA3 0.353 4.314 3.960 0.001 0.000 0.294 230 G C -1.953 172.882 174.900 -0.108 0.000 1.509 230 G CA -0.438 44.603 45.100 -0.098 0.000 0.806 230 G HN -0.160 nan 8.290 nan 0.000 0.546 231 E N 0.872 121.044 120.200 -0.047 0.000 2.267 231 E HA 0.598 4.948 4.350 0.001 0.000 0.248 231 E C -2.402 174.171 176.600 -0.045 0.000 0.899 231 E CA -1.737 54.648 56.400 -0.026 0.000 0.764 231 E CB 1.474 31.227 29.700 0.088 0.000 1.227 231 E HN 0.280 nan 8.360 nan 0.000 0.421 232 P HA -0.007 nan 4.420 nan 0.000 0.261 232 P C -0.730 176.569 177.300 -0.001 0.000 1.183 232 P CA 0.218 63.263 63.100 -0.091 0.000 0.761 232 P CB 0.513 32.103 31.700 -0.183 0.000 0.785 233 E N 3.353 123.562 120.200 0.014 0.000 2.129 233 E HA 0.155 4.505 4.350 0.001 0.000 0.283 233 E C 0.019 176.651 176.600 0.052 0.000 1.080 233 E CA -0.084 56.335 56.400 0.032 0.000 0.867 233 E CB 0.464 30.179 29.700 0.024 0.000 1.056 233 E HN 0.410 nan 8.360 nan 0.000 0.404 234 L N 1.552 122.810 121.223 0.059 0.000 2.357 234 L HA 0.266 4.607 4.340 0.001 0.000 0.273 234 L C 1.599 178.486 176.870 0.028 0.000 1.080 234 L CA -0.526 54.357 54.840 0.071 0.000 0.803 234 L CB 1.217 43.328 42.059 0.087 0.000 1.174 234 L HN 0.526 nan 8.230 nan 0.000 0.443 235 A N 2.719 125.547 122.820 0.014 0.000 1.883 235 A HA 0.054 4.374 4.320 0.001 0.000 0.217 235 A C 1.004 178.556 177.584 -0.052 0.000 1.186 235 A CA 1.781 53.806 52.037 -0.020 0.000 0.624 235 A CB -0.470 18.511 19.000 -0.031 0.000 0.822 235 A HN 0.858 nan 8.150 nan 0.000 0.444 236 G N -4.893 103.867 108.800 -0.068 0.000 2.949 236 G HA2 0.479 4.439 3.960 0.001 0.000 0.285 236 G HA3 0.479 4.439 3.960 0.001 0.000 0.285 236 G C -0.557 174.287 174.900 -0.095 0.000 1.395 236 G CA -0.091 44.913 45.100 -0.159 0.000 0.901 236 G HN 0.461 nan 8.290 nan 0.000 0.519 237 H N -0.706 118.305 119.070 -0.099 0.000 2.677 237 H HA -0.166 4.390 4.556 0.001 0.000 0.321 237 H C 1.562 176.843 175.328 -0.078 0.000 1.171 237 H CA 1.040 57.039 56.048 -0.081 0.000 1.139 237 H CB -1.360 28.361 29.762 -0.068 0.000 1.515 237 H HN 0.690 nan 8.280 nan 0.000 0.423 238 I N -2.104 118.431 120.570 -0.059 0.000 3.176 238 I HA -0.068 4.102 4.170 0.001 0.000 0.275 238 I C 1.912 177.990 176.117 -0.065 0.000 1.298 238 I CA 1.432 62.703 61.300 -0.048 0.000 1.445 238 I CB 0.001 37.975 38.000 -0.045 0.000 1.075 238 I HN 0.247 nan 8.210 nan 0.000 0.482 239 T N -2.939 111.543 114.554 -0.121 0.000 3.069 239 T HA 0.109 4.459 4.350 0.001 0.000 0.252 239 T C 0.908 175.679 174.700 0.118 0.000 1.053 239 T CA 0.047 62.109 62.100 -0.063 0.000 0.964 239 T CB -0.320 68.388 68.868 -0.266 0.000 1.005 239 T HN 0.310 nan 8.240 nan 0.000 0.532 240 T N 1.614 116.188 114.554 0.033 0.000 2.882 240 T HA 0.513 4.864 4.350 0.001 0.000 0.287 240 T C -0.451 174.063 174.700 -0.310 0.000 1.014 240 T CA -0.361 61.687 62.100 -0.087 0.000 1.049 240 T CB 1.152 70.005 68.868 -0.025 0.000 1.001 240 T HN 0.291 nan 8.240 nan 0.000 0.525 241 S N 0.664 115.926 115.700 -0.729 0.000 2.482 241 S HA 0.737 5.207 4.470 0.001 0.000 0.303 241 S C -0.263 174.134 174.600 -0.339 0.000 1.091 241 S CA -0.286 57.538 58.200 -0.627 0.000 1.057 241 S CB 1.102 63.628 63.200 -1.123 0.000 1.031 241 S HN 1.051 nan 8.310 nan 0.000 0.485 242 G N 4.953 113.659 108.800 -0.157 0.000 3.743 242 G HA2 0.418 4.378 3.960 0.001 0.000 0.289 242 G HA3 0.418 4.378 3.960 0.001 0.000 0.289 242 G C -3.378 171.469 174.900 -0.089 0.000 2.097 242 G CA -0.744 44.319 45.100 -0.062 0.000 0.624 242 G HN 0.527 nan 8.290 nan 0.000 0.402 243 P HA 0.257 nan 4.420 nan 0.000 0.284 243 P C -0.776 176.402 177.300 -0.203 0.000 1.292 243 P CA -0.591 62.396 63.100 -0.189 0.000 0.800 243 P CB 1.003 32.543 31.700 -0.268 0.000 1.188 244 H N -0.444 118.411 119.070 -0.357 0.000 2.641 244 H HA 0.344 4.900 4.556 0.001 0.000 0.295 244 H C -0.840 174.253 175.328 -0.390 0.000 1.070 244 H CA -0.427 55.406 56.048 -0.358 0.000 1.257 244 H CB 0.117 29.679 29.762 -0.332 0.000 1.393 244 H HN 0.198 nan 8.280 nan 0.000 0.464 245 T N 5.818 120.161 114.554 -0.352 0.000 2.823 245 T HA 0.268 4.619 4.350 0.001 0.000 0.279 245 T C -0.129 174.206 174.700 -0.609 0.000 0.998 245 T CA -0.799 60.924 62.100 -0.627 0.000 0.994 245 T CB 1.672 70.094 68.868 -0.744 0.000 0.960 245 T HN 0.588 nan 8.240 nan 0.000 0.448 246 R N 2.221 122.306 120.500 -0.691 0.000 2.437 246 R HA 0.516 4.857 4.340 0.001 0.000 0.310 246 R C -1.517 174.457 176.300 -0.544 0.000 0.955 246 R CA -0.663 55.156 56.100 -0.468 0.000 0.851 246 R CB 0.606 30.707 30.300 -0.332 0.000 1.161 246 R HN 0.491 nan 8.270 nan 0.000 0.446 247 F N 2.222 122.063 119.950 -0.181 0.000 2.405 247 F HA 0.329 4.857 4.527 0.001 0.000 0.355 247 F C 0.171 175.986 175.800 0.025 0.000 1.121 247 F CA -0.312 57.639 58.000 -0.083 0.000 1.112 247 F CB 2.331 41.274 39.000 -0.095 0.000 1.126 247 F HN 0.318 nan 8.300 nan 0.000 0.481 248 T N 3.656 118.367 114.554 0.260 0.000 2.864 248 T HA 0.198 4.549 4.350 0.001 0.000 0.299 248 T C -0.473 174.381 174.700 0.257 0.000 1.011 248 T CA -0.755 61.465 62.100 0.200 0.000 0.975 248 T CB 0.943 69.880 68.868 0.114 0.000 0.962 248 T HN 0.499 nan 8.240 nan 0.000 0.448 249 E N 1.320 121.653 120.200 0.221 0.000 2.199 249 E HA -0.219 4.132 4.350 0.001 0.000 0.208 249 E C -0.521 176.277 176.600 0.331 0.000 1.310 249 E CA 0.400 56.928 56.400 0.213 0.000 0.709 249 E CB -1.121 28.697 29.700 0.196 0.000 1.127 249 E HN 0.693 nan 8.360 nan 0.000 0.354 250 F N 1.717 121.794 119.950 0.211 0.000 2.444 250 F HA 0.116 4.644 4.527 0.001 0.000 0.360 250 F C 1.072 176.990 175.800 0.197 0.000 1.106 250 F CA -0.328 57.842 58.000 0.283 0.000 1.170 250 F CB 0.467 39.717 39.000 0.417 0.000 1.113 250 F HN 0.010 nan 8.300 nan 0.000 0.521 251 H N 5.488 124.403 119.070 -0.258 0.000 2.580 251 H HA 0.479 5.036 4.556 0.001 0.000 0.322 251 H C -0.732 174.505 175.328 -0.151 0.000 1.082 251 H CA -0.562 55.409 56.048 -0.127 0.000 1.383 251 H CB 1.569 31.266 29.762 -0.109 0.000 1.450 251 H HN 0.338 nan 8.280 nan 0.000 0.505 252 V N 5.212 125.208 119.914 0.137 0.000 2.577 252 V HA 0.206 4.327 4.120 0.001 0.000 0.303 252 V C -2.340 173.891 176.094 0.228 0.000 1.042 252 V CA -2.102 60.310 62.300 0.188 0.000 0.872 252 V CB 1.860 33.835 31.823 0.253 0.000 0.998 252 V HN 0.646 nan 8.190 nan 0.000 0.423 253 P HA 0.138 nan 4.420 nan 0.000 0.269 253 P C 0.530 178.004 177.300 0.290 0.000 1.209 253 P CA 0.087 63.314 63.100 0.210 0.000 0.776 253 P CB 0.588 32.387 31.700 0.166 0.000 0.876 254 H N 2.567 121.774 119.070 0.228 0.000 2.387 254 H HA -0.187 4.370 4.556 0.001 0.000 0.299 254 H C 1.627 177.090 175.328 0.227 0.000 1.090 254 H CA 2.244 58.474 56.048 0.304 0.000 1.332 254 H CB 0.011 29.890 29.762 0.194 0.000 1.386 254 H HN 0.551 nan 8.280 nan 0.000 0.516 255 E N -0.443 119.882 120.200 0.208 0.000 2.209 255 E HA -0.208 4.142 4.350 0.001 0.000 0.196 255 E C 1.451 178.109 176.600 0.096 0.000 0.993 255 E CA 1.453 57.938 56.400 0.141 0.000 0.819 255 E CB -0.325 29.475 29.700 0.167 0.000 0.745 255 E HN 0.595 nan 8.360 nan 0.000 0.477 256 N N 0.252 119.011 118.700 0.097 0.000 2.461 256 N HA 0.042 4.782 4.740 0.001 0.000 0.188 256 N C -0.308 175.135 175.510 -0.111 0.000 1.134 256 N CA -0.354 52.723 53.050 0.045 0.000 0.878 256 N CB 0.166 38.718 38.487 0.108 0.000 0.972 256 N HN 0.128 nan 8.380 nan 0.000 0.456 257 L N 1.676 122.793 121.223 -0.176 0.000 2.360 257 L HA 0.043 4.383 4.340 0.001 0.000 0.276 257 L C 1.093 177.824 176.870 -0.233 0.000 1.121 257 L CA 0.130 54.791 54.840 -0.299 0.000 0.845 257 L CB 0.923 42.725 42.059 -0.428 0.000 1.143 257 L HN -0.024 nan 8.230 nan 0.000 0.452 258 L N 5.846 126.929 121.223 -0.233 0.000 2.056 258 L HA 0.022 4.363 4.340 0.001 0.000 0.207 258 L C 0.723 177.513 176.870 -0.133 0.000 1.078 258 L CA 1.641 56.370 54.840 -0.185 0.000 0.749 258 L CB -0.059 41.888 42.059 -0.186 0.000 0.901 258 L HN 0.928 nan 8.230 nan 0.000 0.433 259 C N -5.320 113.898 119.300 -0.136 0.000 3.293 259 C HA 0.517 4.977 4.460 0.001 0.000 0.362 259 C C 0.216 175.154 174.990 -0.086 0.000 1.539 259 C CA -0.713 58.252 59.018 -0.089 0.000 1.201 259 C CB 0.581 28.276 27.740 -0.075 0.000 1.770 259 C HN 0.171 nan 8.230 nan 0.000 0.440 260 T N 3.291 117.823 114.554 -0.036 0.000 2.902 260 T HA 0.368 4.718 4.350 0.001 0.000 0.301 260 T C -2.364 172.314 174.700 -0.038 0.000 1.012 260 T CA 0.426 62.523 62.100 -0.005 0.000 1.151 260 T CB -0.224 68.657 68.868 0.022 0.000 0.946 260 T HN 0.695 nan 8.240 nan 0.000 0.542 261 P HA 0.368 nan 4.420 nan 0.000 0.267 261 P C 0.755 178.040 177.300 -0.025 0.000 1.201 261 P CA 0.721 63.783 63.100 -0.063 0.000 0.775 261 P CB 0.257 31.928 31.700 -0.049 0.000 0.854 262 G N 0.134 108.915 108.800 -0.031 0.000 2.384 262 G HA2 -0.186 3.774 3.960 0.001 0.000 0.204 262 G HA3 -0.186 3.774 3.960 0.001 0.000 0.204 262 G C 0.489 175.368 174.900 -0.034 0.000 1.237 262 G CA -0.346 44.739 45.100 -0.026 0.000 1.060 262 G HN 0.413 nan 8.290 nan 0.000 0.514 263 L N 0.055 121.256 121.223 -0.037 0.000 2.187 263 L HA -0.050 4.290 4.340 0.001 0.000 0.213 263 L C 2.884 179.725 176.870 -0.048 0.000 1.100 263 L CA 2.009 56.822 54.840 -0.045 0.000 0.765 263 L CB -0.369 41.665 42.059 -0.042 0.000 0.904 263 L HN 0.580 nan 8.230 nan 0.000 0.437 264 K N -0.040 120.332 120.400 -0.046 0.000 2.097 264 K HA -0.082 4.239 4.320 0.001 0.000 0.205 264 K C 2.192 178.756 176.600 -0.059 0.000 1.050 264 K CA 1.191 57.444 56.287 -0.056 0.000 0.938 264 K CB -0.072 32.399 32.500 -0.048 0.000 0.718 264 K HN 0.297 nan 8.250 nan 0.000 0.442 265 A N 0.340 123.132 122.820 -0.046 0.000 1.898 265 A HA -0.119 4.202 4.320 0.001 0.000 0.214 265 A C 2.067 179.659 177.584 0.013 0.000 1.183 265 A CA 0.832 52.846 52.037 -0.038 0.000 0.622 265 A CB -0.385 18.584 19.000 -0.051 0.000 0.824 265 A HN 0.224 nan 8.150 nan 0.000 0.444 266 Q N 0.191 120.008 119.800 0.029 0.000 2.135 266 Q HA -0.159 4.182 4.340 0.001 0.000 0.204 266 Q C 2.028 178.064 176.000 0.061 0.000 0.981 266 Q CA 1.979 57.834 55.803 0.087 0.000 0.856 266 Q CB -0.702 28.030 28.738 -0.011 0.000 0.902 266 Q HN 0.571 nan 8.270 nan 0.000 0.425 267 G N 0.573 109.358 108.800 -0.026 0.000 2.422 267 G HA2 -0.172 3.789 3.960 0.001 0.000 0.218 267 G HA3 -0.172 3.789 3.960 0.001 0.000 0.218 267 G C 1.566 176.388 174.900 -0.131 0.000 1.140 267 G CA 0.434 45.474 45.100 -0.099 0.000 0.775 267 G HN 0.327 nan 8.290 nan 0.000 0.545 268 L N 0.142 121.310 121.223 -0.091 0.000 2.072 268 L HA -0.043 4.298 4.340 0.001 0.000 0.205 268 L C 2.962 179.791 176.870 -0.069 0.000 1.079 268 L CA 0.345 55.121 54.840 -0.106 0.000 0.752 268 L CB -0.364 41.636 42.059 -0.098 0.000 0.906 268 L HN 0.081 nan 8.230 nan 0.000 0.436 269 V N -0.172 119.752 119.914 0.015 0.000 2.295 269 V HA -0.295 3.826 4.120 0.001 0.000 0.246 269 V C 2.462 178.661 176.094 0.175 0.000 1.049 269 V CA 1.934 64.284 62.300 0.084 0.000 1.024 269 V CB -0.432 31.514 31.823 0.206 0.000 0.648 269 V HN 0.485 nan 8.190 nan 0.000 0.447 270 E N -0.130 120.183 120.200 0.187 0.000 2.072 270 E HA -0.201 4.150 4.350 0.001 0.000 0.191 270 E C 2.248 178.991 176.600 0.238 0.000 0.985 270 E CA 1.774 58.324 56.400 0.250 0.000 0.801 270 E CB -0.049 29.793 29.700 0.236 0.000 0.750 270 E HN 0.626 nan 8.360 nan 0.000 0.452 271 T N 0.677 115.241 114.554 0.018 0.000 2.777 271 T HA -0.111 4.239 4.350 0.001 0.000 0.266 271 T C 1.864 176.595 174.700 0.051 0.000 1.040 271 T CA 1.208 63.262 62.100 -0.076 0.000 1.141 271 T CB -0.264 68.361 68.868 -0.405 0.000 0.868 271 T HN 0.296 nan 8.240 nan 0.000 0.444 272 A N 0.913 123.698 122.820 -0.058 0.000 1.865 272 A HA -0.044 4.277 4.320 0.001 0.000 0.217 272 A C 2.011 179.491 177.584 -0.173 0.000 1.191 272 A CA 1.473 53.405 52.037 -0.174 0.000 0.623 272 A CB -1.086 17.709 19.000 -0.341 0.000 0.826 272 A HN 0.516 nan 8.150 nan 0.000 0.444 273 F N -0.234 119.690 119.950 -0.042 0.000 2.325 273 F HA 0.017 4.545 4.527 0.001 0.000 0.299 273 F C 2.684 178.474 175.800 -0.016 0.000 1.090 273 F CA 0.656 58.612 58.000 -0.074 0.000 1.392 273 F CB -0.019 38.904 39.000 -0.128 0.000 1.053 273 F HN 0.278 nan 8.300 nan 0.000 0.521 274 A N -0.188 122.786 122.820 0.256 0.000 1.930 274 A HA -0.165 4.155 4.320 0.001 0.000 0.217 274 A C 2.194 179.857 177.584 0.132 0.000 1.175 274 A CA 1.298 53.459 52.037 0.207 0.000 0.627 274 A CB -0.537 18.675 19.000 0.354 0.000 0.815 274 A HN 0.324 nan 8.150 nan 0.000 0.443 275 M N 0.200 119.878 119.600 0.130 0.000 2.156 275 M HA -0.117 4.364 4.480 0.001 0.000 0.264 275 M C 2.529 178.837 176.300 0.014 0.000 1.067 275 M CA 1.646 56.988 55.300 0.070 0.000 1.131 275 M CB -0.361 32.270 32.600 0.053 0.000 1.368 275 M HN 0.635 nan 8.290 nan 0.000 0.416 276 S N 0.923 116.609 115.700 -0.023 0.000 2.382 276 S HA -0.082 4.389 4.470 0.001 0.000 0.228 276 S C 2.093 176.668 174.600 -0.042 0.000 1.027 276 S CA 1.064 59.230 58.200 -0.058 0.000 0.991 276 S CB -0.704 62.425 63.200 -0.118 0.000 0.823 276 S HN 0.443 nan 8.310 nan 0.000 0.469 277 A N 1.937 124.753 122.820 -0.006 0.000 1.978 277 A HA 0.258 4.578 4.320 0.001 0.000 0.220 277 A C 2.457 180.035 177.584 -0.009 0.000 1.170 277 A CA 1.751 53.779 52.037 -0.016 0.000 0.636 277 A CB -1.290 17.714 19.000 0.007 0.000 0.810 277 A HN 0.875 nan 8.150 nan 0.000 0.448 278 A N -0.704 122.120 122.820 0.005 0.000 1.970 278 A HA 0.187 4.508 4.320 0.001 0.000 0.216 278 A C 2.016 179.612 177.584 0.020 0.000 1.170 278 A CA 1.081 53.129 52.037 0.018 0.000 0.645 278 A CB -0.369 18.647 19.000 0.027 0.000 0.816 278 A HN 0.444 nan 8.150 nan 0.000 0.447 279 L N -0.749 120.476 121.223 0.004 0.000 2.341 279 L HA -0.023 4.317 4.340 0.001 0.000 0.214 279 L C 2.174 179.013 176.870 -0.051 0.000 1.115 279 L CA 0.198 55.037 54.840 -0.002 0.000 0.820 279 L CB -0.133 41.925 42.059 -0.001 0.000 0.944 279 L HN 0.198 nan 8.230 nan 0.000 0.452 280 V N 0.346 120.218 119.914 -0.071 0.000 2.759 280 V HA -0.155 3.965 4.120 0.001 0.000 0.256 280 V C 2.538 178.525 176.094 -0.179 0.000 1.080 280 V CA 1.765 63.996 62.300 -0.114 0.000 1.101 280 V CB -0.705 31.079 31.823 -0.064 0.000 0.698 280 V HN 0.565 nan 8.190 nan 0.000 0.477 281 G N -0.110 108.630 108.800 -0.099 0.000 2.442 281 G HA2 -0.262 3.699 3.960 0.001 0.000 0.219 281 G HA3 -0.262 3.699 3.960 0.001 0.000 0.219 281 G C 1.722 176.544 174.900 -0.130 0.000 1.141 281 G CA 1.007 46.050 45.100 -0.094 0.000 0.763 281 G HN 0.612 nan 8.290 nan 0.000 0.554 282 A N 0.318 123.081 122.820 -0.096 0.000 2.015 282 A HA 0.134 4.454 4.320 0.001 0.000 0.219 282 A C 2.429 179.908 177.584 -0.175 0.000 1.163 282 A CA 1.585 53.586 52.037 -0.060 0.000 0.646 282 A CB -0.284 18.735 19.000 0.032 0.000 0.806 282 A HN 0.408 nan 8.150 nan 0.000 0.448 283 M N -0.558 118.791 119.600 -0.419 0.000 2.132 283 M HA -0.085 4.396 4.480 0.001 0.000 0.263 283 M C 2.512 178.395 176.300 -0.694 0.000 1.065 283 M CA 1.416 56.213 55.300 -0.838 0.000 1.122 283 M CB -0.355 31.483 32.600 -1.269 0.000 1.365 283 M HN 0.434 nan 8.290 nan 0.000 0.411 284 A N 0.643 123.047 122.820 -0.693 0.000 1.898 284 A HA -0.104 4.217 4.320 0.001 0.000 0.216 284 A C 2.090 179.593 177.584 -0.136 0.000 1.181 284 A CA 1.401 53.149 52.037 -0.481 0.000 0.620 284 A CB -0.882 17.942 19.000 -0.293 0.000 0.819 284 A HN 0.433 nan 8.150 nan 0.000 0.442 285 I N -0.105 120.397 120.570 -0.113 0.000 2.208 285 I HA -0.220 3.951 4.170 0.001 0.000 0.245 285 I C 2.720 178.857 176.117 0.034 0.000 1.097 285 I CA 1.164 62.445 61.300 -0.032 0.000 1.363 285 I CB -0.663 37.317 38.000 -0.034 0.000 1.051 285 I HN 0.383 nan 8.210 nan 0.000 0.413 286 G N 0.250 109.087 108.800 0.061 0.000 2.491 286 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 286 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 286 G C 1.654 176.658 174.900 0.175 0.000 1.180 286 G CA 1.659 46.854 45.100 0.158 0.000 0.774 286 G HN 0.304 nan 8.290 nan 0.000 0.562 287 T N 1.691 116.372 114.554 0.211 0.000 2.652 287 T HA -0.032 4.318 4.350 0.001 0.000 0.267 287 T C 2.807 177.605 174.700 0.163 0.000 1.039 287 T CA 1.839 64.075 62.100 0.226 0.000 1.153 287 T CB -0.491 68.602 68.868 0.375 0.000 0.863 287 T HN 0.398 nan 8.240 nan 0.000 0.428 288 A N 1.277 124.183 122.820 0.144 0.000 1.933 288 A HA -0.075 4.246 4.320 0.001 0.000 0.218 288 A C 2.309 179.989 177.584 0.159 0.000 1.175 288 A CA 1.586 53.700 52.037 0.129 0.000 0.628 288 A CB -0.546 18.498 19.000 0.073 0.000 0.814 288 A HN 0.388 nan 8.150 nan 0.000 0.444 289 R N -0.496 120.091 120.500 0.145 0.000 2.066 289 R HA -0.082 4.259 4.340 0.001 0.000 0.232 289 R C 2.388 178.806 176.300 0.196 0.000 1.131 289 R CA 1.285 57.505 56.100 0.200 0.000 0.955 289 R CB -0.407 29.982 30.300 0.148 0.000 0.851 289 R HN 0.449 nan 8.270 nan 0.000 0.432 290 A N 0.836 123.729 122.820 0.122 0.000 1.917 290 A HA -0.220 4.100 4.320 0.001 0.000 0.219 290 A C 2.329 179.919 177.584 0.010 0.000 1.182 290 A CA 2.033 54.099 52.037 0.047 0.000 0.633 290 A CB -0.833 18.180 19.000 0.021 0.000 0.819 290 A HN 0.549 nan 8.150 nan 0.000 0.448 291 A N -1.092 121.780 122.820 0.087 0.000 1.858 291 A HA -0.008 4.312 4.320 0.001 0.000 0.216 291 A C 2.086 179.836 177.584 0.276 0.000 1.190 291 A CA 1.684 53.829 52.037 0.181 0.000 0.617 291 A CB -0.809 18.360 19.000 0.283 0.000 0.827 291 A HN 0.840 nan 8.150 nan 0.000 0.443 292 F N 1.136 121.160 119.950 0.122 0.000 2.095 292 F HA -0.167 4.361 4.527 0.001 0.000 0.298 292 F C 2.136 177.995 175.800 0.099 0.000 1.104 292 F CA 2.253 60.318 58.000 0.108 0.000 1.232 292 F CB -0.457 38.583 39.000 0.067 0.000 0.987 292 F HN 0.378 nan 8.300 nan 0.000 0.475 293 E N -0.032 120.081 120.200 -0.145 0.000 2.051 293 E HA -0.292 4.058 4.350 0.001 0.000 0.192 293 E C 2.159 178.650 176.600 -0.183 0.000 0.991 293 E CA 1.524 57.759 56.400 -0.275 0.000 0.799 293 E CB -0.428 29.239 29.700 -0.055 0.000 0.748 293 E HN 0.614 nan 8.360 nan 0.000 0.449 294 E N 0.323 120.470 120.200 -0.088 0.000 2.204 294 E HA -0.171 4.180 4.350 0.001 0.000 0.195 294 E C 1.820 178.489 176.600 0.115 0.000 0.990 294 E CA 0.844 57.216 56.400 -0.048 0.000 0.821 294 E CB 0.047 29.602 29.700 -0.242 0.000 0.750 294 E HN 0.232 nan 8.360 nan 0.000 0.477 295 A N 0.491 123.401 122.820 0.150 0.000 1.903 295 A HA -0.045 4.275 4.320 0.001 0.000 0.213 295 A C 1.996 179.629 177.584 0.081 0.000 1.185 295 A CA 0.578 52.729 52.037 0.190 0.000 0.628 295 A CB -0.445 18.656 19.000 0.168 0.000 0.830 295 A HN 0.338 nan 8.150 nan 0.000 0.446 296 L N 0.232 121.361 121.223 -0.157 0.000 1.970 296 L HA -0.130 4.210 4.340 0.001 0.000 0.212 296 L C 2.392 179.209 176.870 -0.089 0.000 1.071 296 L CA 2.085 56.794 54.840 -0.218 0.000 0.751 296 L CB -0.716 41.017 42.059 -0.543 0.000 0.889 296 L HN 0.155 nan 8.230 nan 0.000 0.432 297 V N -0.417 119.449 119.914 -0.079 0.000 2.370 297 V HA -0.359 3.762 4.120 0.001 0.000 0.252 297 V C 2.321 178.420 176.094 0.008 0.000 1.068 297 V CA 2.365 64.642 62.300 -0.039 0.000 1.061 297 V CB -0.891 30.920 31.823 -0.020 0.000 0.656 297 V HN 0.574 nan 8.190 nan 0.000 0.455 298 F N 1.168 121.083 119.950 -0.059 0.000 2.128 298 F HA 0.014 4.542 4.527 0.001 0.000 0.295 298 F C 2.255 178.030 175.800 -0.042 0.000 1.100 298 F CA 1.345 59.330 58.000 -0.025 0.000 1.260 298 F CB -0.426 38.596 39.000 0.037 0.000 1.009 298 F HN 0.057 nan 8.300 nan 0.000 0.476 299 A N -0.261 122.628 122.820 0.114 0.000 2.121 299 A HA -0.124 4.196 4.320 0.001 0.000 0.218 299 A C 1.960 179.475 177.584 -0.114 0.000 1.154 299 A CA 1.383 53.437 52.037 0.029 0.000 0.679 299 A CB -0.608 18.457 19.000 0.108 0.000 0.795 299 A HN 0.484 nan 8.150 nan 0.000 0.458 300 K N -0.521 119.762 120.400 -0.194 0.000 2.358 300 K HA 0.066 4.386 4.320 0.001 0.000 0.197 300 K C 1.082 177.255 176.600 -0.711 0.000 1.025 300 K CA 0.716 56.804 56.287 -0.331 0.000 1.104 300 K CB 0.365 32.738 32.500 -0.213 0.000 0.855 300 K HN 0.533 nan 8.250 nan 0.000 0.531 301 S N -0.994 114.365 115.700 -0.569 0.000 2.817 301 S HA 0.134 4.604 4.470 0.001 0.000 0.262 301 S C -0.439 173.967 174.600 -0.323 0.000 1.051 301 S CA -0.637 57.256 58.200 -0.512 0.000 1.185 301 S CB 0.566 63.596 63.200 -0.283 0.000 1.152 301 S HN 0.005 nan 8.310 nan 0.000 0.653 302 D N 1.691 121.866 120.400 -0.375 0.000 2.787 302 D HA 0.343 4.984 4.640 0.001 0.000 0.246 302 D C 0.485 176.700 176.300 -0.140 0.000 1.150 302 D CA -0.058 53.728 54.000 -0.358 0.000 0.864 302 D CB 2.526 42.764 40.800 -0.937 0.000 1.481 302 D HN 0.214 nan 8.370 nan 0.000 0.509 303 T N 0.600 115.135 114.554 -0.031 0.000 3.044 303 T HA 0.087 4.438 4.350 0.001 0.000 0.250 303 T C 1.086 175.805 174.700 0.033 0.000 1.081 303 T CA -0.205 61.901 62.100 0.011 0.000 1.040 303 T CB 0.200 69.059 68.868 -0.015 0.000 0.962 303 T HN 0.495 nan 8.240 nan 0.000 0.506 304 R N 1.084 121.589 120.500 0.008 0.000 3.188 304 R HA -0.128 4.212 4.340 0.001 0.000 0.247 304 R C 1.255 177.589 176.300 0.056 0.000 0.918 304 R CA 0.802 56.935 56.100 0.056 0.000 0.629 304 R CB -2.028 28.337 30.300 0.108 0.000 1.087 304 R HN 1.015 nan 8.270 nan 0.000 0.462 305 G N -1.959 106.861 108.800 0.035 0.000 2.196 305 G HA2 -0.307 3.654 3.960 0.001 0.000 0.268 305 G HA3 -0.307 3.654 3.960 0.001 0.000 0.268 305 G C 0.627 175.544 174.900 0.029 0.000 0.975 305 G CA 0.636 45.753 45.100 0.027 0.000 0.648 305 G HN 0.974 nan 8.290 nan 0.000 0.538 306 G N -0.784 108.042 108.800 0.045 0.000 2.537 306 G HA2 0.595 4.556 3.960 0.001 0.000 0.297 306 G HA3 0.595 4.556 3.960 0.001 0.000 0.297 306 G C 1.221 176.126 174.900 0.009 0.000 1.310 306 G CA 0.845 45.978 45.100 0.055 0.000 1.027 306 G HN 1.202 nan 8.290 nan 0.000 0.505 307 S N -1.673 114.026 115.700 -0.002 0.000 2.478 307 S HA 0.139 4.610 4.470 0.001 0.000 0.222 307 S C 0.768 175.303 174.600 -0.109 0.000 1.008 307 S CA 0.417 58.589 58.200 -0.046 0.000 0.928 307 S CB -0.194 62.985 63.200 -0.034 0.000 0.781 307 S HN 0.678 nan 8.310 nan 0.000 0.518 308 K N 0.165 120.488 120.400 -0.128 0.000 2.350 308 K HA 0.492 4.813 4.320 0.001 0.000 0.241 308 K C -1.062 175.406 176.600 -0.220 0.000 0.994 308 K CA -1.035 55.113 56.287 -0.232 0.000 0.839 308 K CB 0.411 32.780 32.500 -0.218 0.000 1.244 308 K HN -0.010 nan 8.250 nan 0.000 0.443 309 H N 0.858 119.842 119.070 -0.143 0.000 3.001 309 H HA -0.015 4.542 4.556 0.001 0.000 0.334 309 H C 1.052 176.268 175.328 -0.186 0.000 1.034 309 H CA -0.019 55.941 56.048 -0.146 0.000 1.420 309 H CB 0.532 30.222 29.762 -0.120 0.000 1.405 309 H HN 0.581 nan 8.280 nan 0.000 0.593 310 I N 2.960 123.543 120.570 0.022 0.000 2.423 310 I HA -0.219 3.951 4.170 0.001 0.000 0.254 310 I C 2.538 178.688 176.117 0.054 0.000 1.151 310 I CA 0.796 62.136 61.300 0.067 0.000 1.421 310 I CB -0.292 37.793 38.000 0.142 0.000 1.079 310 I HN 0.647 nan 8.210 nan 0.000 0.431 311 I N 0.226 120.815 120.570 0.031 0.000 2.657 311 I HA -0.267 3.903 4.170 0.001 0.000 0.261 311 I C 1.940 178.058 176.117 0.003 0.000 1.212 311 I CA 1.211 62.532 61.300 0.034 0.000 1.453 311 I CB -0.124 37.889 38.000 0.021 0.000 1.092 311 I HN 0.218 nan 8.210 nan 0.000 0.452 312 E N -0.032 120.117 120.200 -0.085 0.000 2.285 312 E HA -0.059 4.292 4.350 0.001 0.000 0.194 312 E C 0.304 176.837 176.600 -0.112 0.000 0.997 312 E CA 0.468 56.791 56.400 -0.128 0.000 0.845 312 E CB -0.222 29.359 29.700 -0.199 0.000 0.782 312 E HN 0.524 nan 8.360 nan 0.000 0.491 313 H N 1.451 120.539 119.070 0.031 0.000 2.819 313 H HA 0.110 4.667 4.556 0.001 0.000 0.303 313 H C 1.289 176.634 175.328 0.028 0.000 1.058 313 H CA 0.137 56.201 56.048 0.026 0.000 1.471 313 H CB 0.836 30.614 29.762 0.027 0.000 1.480 313 H HN 0.144 nan 8.280 nan 0.000 0.517 314 Q N 2.068 121.952 119.800 0.141 0.000 2.112 314 Q HA -0.147 4.193 4.340 0.001 0.000 0.206 314 Q C 1.966 178.012 176.000 0.077 0.000 0.987 314 Q CA 1.759 57.613 55.803 0.085 0.000 0.858 314 Q CB 0.104 28.879 28.738 0.061 0.000 0.905 314 Q HN 0.531 nan 8.270 nan 0.000 0.420 315 S N 0.147 115.890 115.700 0.073 0.000 2.370 315 S HA -0.139 4.331 4.470 0.001 0.000 0.226 315 S C 2.133 176.772 174.600 0.064 0.000 1.033 315 S CA 1.294 59.525 58.200 0.052 0.000 1.011 315 S CB -0.239 62.978 63.200 0.028 0.000 0.852 315 S HN 0.180 nan 8.310 nan 0.000 0.457 316 V N 1.988 121.958 119.914 0.093 0.000 2.287 316 V HA -0.236 3.885 4.120 0.001 0.000 0.248 316 V C 2.630 178.781 176.094 0.095 0.000 1.053 316 V CA 1.806 64.167 62.300 0.101 0.000 1.027 316 V CB -1.290 30.618 31.823 0.142 0.000 0.646 316 V HN 0.550 nan 8.190 nan 0.000 0.447 317 A N -0.174 122.701 122.820 0.092 0.000 1.902 317 A HA -0.250 4.071 4.320 0.001 0.000 0.217 317 A C 2.012 179.645 177.584 0.080 0.000 1.181 317 A CA 1.934 54.021 52.037 0.084 0.000 0.623 317 A CB -0.670 18.371 19.000 0.069 0.000 0.818 317 A HN 0.535 nan 8.150 nan 0.000 0.443 318 D N 0.054 120.493 120.400 0.065 0.000 2.133 318 D HA -0.154 4.486 4.640 0.001 0.000 0.195 318 D C 1.866 178.201 176.300 0.058 0.000 0.997 318 D CA 1.231 55.263 54.000 0.053 0.000 0.840 318 D CB -0.158 40.667 40.800 0.041 0.000 0.947 318 D HN 0.198 nan 8.370 nan 0.000 0.452 319 K N 0.579 121.018 120.400 0.064 0.000 2.009 319 K HA -0.068 4.253 4.320 0.001 0.000 0.210 319 K C 2.427 179.090 176.600 0.104 0.000 1.049 319 K CA 0.526 56.854 56.287 0.068 0.000 0.929 319 K CB -0.898 31.638 32.500 0.060 0.000 0.714 319 K HN 0.268 nan 8.250 nan 0.000 0.440 320 L N 0.408 121.718 121.223 0.145 0.000 2.141 320 L HA -0.115 4.225 4.340 0.001 0.000 0.209 320 L C 2.406 179.403 176.870 0.212 0.000 1.094 320 L CA 0.679 55.671 54.840 0.254 0.000 0.763 320 L CB -0.370 41.838 42.059 0.248 0.000 0.908 320 L HN 0.092 nan 8.230 nan 0.000 0.437 321 I N -0.126 120.516 120.570 0.120 0.000 2.142 321 I HA -0.291 3.880 4.170 0.001 0.000 0.240 321 I C 2.135 178.260 176.117 0.013 0.000 1.078 321 I CA 1.288 62.626 61.300 0.063 0.000 1.343 321 I CB -0.348 37.680 38.000 0.048 0.000 1.046 321 I HN 0.225 nan 8.210 nan 0.000 0.405 322 D N 0.432 120.846 120.400 0.024 0.000 2.149 322 D HA -0.182 4.458 4.640 0.001 0.000 0.198 322 D C 2.287 178.572 176.300 -0.026 0.000 0.990 322 D CA 1.273 55.276 54.000 0.004 0.000 0.839 322 D CB -0.529 40.282 40.800 0.018 0.000 0.948 322 D HN 0.384 nan 8.370 nan 0.000 0.460 323 C N 0.530 119.825 119.300 -0.009 0.000 2.413 323 C HA -0.132 4.329 4.460 0.001 0.000 0.276 323 C C 2.559 177.370 174.990 -0.298 0.000 1.248 323 C CA 0.621 59.603 59.018 -0.060 0.000 1.742 323 C CB -0.604 27.213 27.740 0.129 0.000 2.017 323 C HN 0.272 nan 8.230 nan 0.000 0.481 324 K N 1.304 121.456 120.400 -0.414 0.000 2.001 324 K HA -0.024 4.297 4.320 0.001 0.000 0.208 324 K C 1.649 178.071 176.600 -0.297 0.000 1.048 324 K CA 1.599 57.535 56.287 -0.585 0.000 0.932 324 K CB -0.624 31.634 32.500 -0.404 0.000 0.715 324 K HN 0.471 nan 8.250 nan 0.000 0.437 325 I N 0.753 121.224 120.570 -0.164 0.000 2.127 325 I HA -0.346 3.824 4.170 0.001 0.000 0.241 325 I C 2.459 178.541 176.117 -0.058 0.000 1.075 325 I CA 1.528 62.773 61.300 -0.092 0.000 1.334 325 I CB -0.302 37.672 38.000 -0.043 0.000 1.040 325 I HN 0.202 nan 8.210 nan 0.000 0.405 326 R N 0.434 120.903 120.500 -0.050 0.000 2.119 326 R HA -0.210 4.130 4.340 0.001 0.000 0.246 326 R C 2.301 178.569 176.300 -0.053 0.000 1.146 326 R CA 1.525 57.608 56.100 -0.028 0.000 0.962 326 R CB -0.552 29.700 30.300 -0.081 0.000 0.863 326 R HN 0.387 nan 8.270 nan 0.000 0.442 327 L N -0.069 121.073 121.223 -0.135 0.000 2.072 327 L HA -0.129 4.212 4.340 0.001 0.000 0.205 327 L C 2.518 179.301 176.870 -0.146 0.000 1.079 327 L CA 0.944 55.694 54.840 -0.149 0.000 0.752 327 L CB -0.255 41.665 42.059 -0.231 0.000 0.906 327 L HN 0.095 nan 8.230 nan 0.000 0.436 328 E N 0.175 120.276 120.200 -0.164 0.000 2.031 328 E HA -0.201 4.150 4.350 0.001 0.000 0.193 328 E C 2.172 178.683 176.600 -0.148 0.000 0.994 328 E CA 2.168 58.462 56.400 -0.177 0.000 0.800 328 E CB -0.297 29.302 29.700 -0.168 0.000 0.752 328 E HN 0.501 nan 8.360 nan 0.000 0.447 329 T N -1.983 112.531 114.554 -0.066 0.000 2.746 329 T HA -0.131 4.219 4.350 0.001 0.000 0.267 329 T C 2.222 176.945 174.700 0.039 0.000 1.039 329 T CA 1.622 63.709 62.100 -0.021 0.000 1.142 329 T CB -0.702 68.191 68.868 0.041 0.000 0.866 329 T HN 0.014 nan 8.240 nan 0.000 0.444 330 S N 1.253 117.031 115.700 0.130 0.000 2.359 330 S HA -0.126 4.344 4.470 0.001 0.000 0.223 330 S C 2.178 176.764 174.600 -0.024 0.000 1.039 330 S CA 1.574 59.847 58.200 0.122 0.000 1.042 330 S CB -0.440 62.776 63.200 0.027 0.000 0.915 330 S HN 0.563 nan 8.310 nan 0.000 0.439 331 R N 0.209 120.616 120.500 -0.156 0.000 2.092 331 R HA -0.015 4.325 4.340 0.001 0.000 0.231 331 R C 1.976 177.993 176.300 -0.472 0.000 1.119 331 R CA 0.824 56.715 56.100 -0.348 0.000 0.970 331 R CB -0.285 29.728 30.300 -0.479 0.000 0.864 331 R HN 0.230 nan 8.270 nan 0.000 0.440 332 L N 0.667 121.695 121.223 -0.325 0.000 2.042 332 L HA -0.192 4.148 4.340 0.001 0.000 0.210 332 L C 2.180 179.053 176.870 0.005 0.000 1.076 332 L CA 1.397 56.138 54.840 -0.166 0.000 0.749 332 L CB -0.926 41.059 42.059 -0.124 0.000 0.893 332 L HN 0.258 nan 8.230 nan 0.000 0.432 333 L N -1.347 119.872 121.223 -0.007 0.000 2.056 333 L HA -0.108 4.233 4.340 0.001 0.000 0.207 333 L C 2.415 179.340 176.870 0.091 0.000 1.078 333 L CA 1.354 56.217 54.840 0.038 0.000 0.749 333 L CB -0.494 41.578 42.059 0.021 0.000 0.901 333 L HN 0.017 nan 8.230 nan 0.000 0.433 334 V N -1.358 118.614 119.914 0.096 0.000 2.343 334 V HA -0.285 3.836 4.120 0.001 0.000 0.247 334 V C 2.261 178.529 176.094 0.291 0.000 1.051 334 V CA 1.897 64.292 62.300 0.158 0.000 1.036 334 V CB -0.860 31.053 31.823 0.150 0.000 0.654 334 V HN 0.533 nan 8.190 nan 0.000 0.451 335 W N 0.603 121.932 121.300 0.047 0.000 2.379 335 W HA -0.104 4.556 4.660 0.001 0.000 0.307 335 W C 2.554 179.092 176.519 0.032 0.000 1.200 335 W CA 1.463 58.838 57.345 0.049 0.000 1.297 335 W CB -1.087 28.424 29.460 0.084 0.000 1.140 335 W HN 0.176 nan 8.180 nan 0.000 0.507 336 K N 0.887 121.454 120.400 0.279 0.000 2.044 336 K HA -0.187 4.133 4.320 0.001 0.000 0.210 336 K C 2.078 178.732 176.600 0.090 0.000 1.049 336 K CA 2.442 58.815 56.287 0.142 0.000 0.927 336 K CB -1.037 31.528 32.500 0.108 0.000 0.713 336 K HN -0.050 nan 8.250 nan 0.000 0.443 337 A N 0.320 123.196 122.820 0.092 0.000 1.883 337 A HA -0.155 4.165 4.320 0.001 0.000 0.217 337 A C 2.359 179.972 177.584 0.048 0.000 1.186 337 A CA 2.497 54.566 52.037 0.053 0.000 0.624 337 A CB -1.148 17.884 19.000 0.053 0.000 0.822 337 A HN 0.354 nan 8.150 nan 0.000 0.444 338 V N -3.434 116.524 119.914 0.073 0.000 2.548 338 V HA -0.106 4.015 4.120 0.001 0.000 0.249 338 V C 2.134 178.246 176.094 0.030 0.000 1.055 338 V CA 2.527 64.859 62.300 0.052 0.000 1.065 338 V CB -1.566 30.291 31.823 0.057 0.000 0.681 338 V HN 0.383 nan 8.190 nan 0.000 0.462 339 T N 1.063 115.634 114.554 0.028 0.000 2.777 339 T HA -0.136 4.214 4.350 0.001 0.000 0.266 339 T C 1.943 176.648 174.700 0.009 0.000 1.040 339 T CA 2.410 64.513 62.100 0.005 0.000 1.141 339 T CB -0.531 68.336 68.868 -0.001 0.000 0.868 339 T HN 0.699 nan 8.240 nan 0.000 0.444 340 T N 2.552 117.113 114.554 0.013 0.000 2.708 340 T HA 0.020 4.371 4.350 0.001 0.000 0.266 340 T C 1.936 176.645 174.700 0.015 0.000 1.037 340 T CA 0.893 62.996 62.100 0.004 0.000 1.146 340 T CB -0.483 68.379 68.868 -0.009 0.000 0.865 340 T HN 0.264 nan 8.240 nan 0.000 0.435 341 L N 0.579 121.817 121.223 0.025 0.000 2.261 341 L HA -0.084 4.256 4.340 0.001 0.000 0.216 341 L C 2.392 179.307 176.870 0.074 0.000 1.114 341 L CA 1.309 56.187 54.840 0.064 0.000 0.777 341 L CB -0.427 41.676 42.059 0.074 0.000 0.910 341 L HN 0.359 nan 8.230 nan 0.000 0.440 342 E N -1.380 118.845 120.200 0.043 0.000 2.476 342 E HA -0.028 4.323 4.350 0.001 0.000 0.199 342 E C 0.141 176.757 176.600 0.027 0.000 1.021 342 E CA -0.235 56.184 56.400 0.032 0.000 0.907 342 E CB 0.370 30.078 29.700 0.014 0.000 0.974 342 E HN 0.200 nan 8.360 nan 0.000 0.489 343 D N 1.565 121.982 120.400 0.028 0.000 2.338 343 D HA -0.000 4.640 4.640 0.001 0.000 0.255 343 D C 0.466 176.788 176.300 0.037 0.000 1.237 343 D CA 0.305 54.319 54.000 0.023 0.000 0.883 343 D CB 0.858 41.667 40.800 0.016 0.000 1.087 343 D HN 0.032 nan 8.370 nan 0.000 0.485 344 E N 2.113 122.332 120.200 0.031 0.000 2.285 344 E HA -0.056 4.294 4.350 0.001 0.000 0.194 344 E C 1.327 177.950 176.600 0.039 0.000 0.997 344 E CA 0.322 56.744 56.400 0.037 0.000 0.845 344 E CB 0.236 29.951 29.700 0.025 0.000 0.782 344 E HN 0.517 nan 8.360 nan 0.000 0.491 345 A N 0.646 123.485 122.820 0.032 0.000 2.259 345 A HA 0.123 4.444 4.320 0.001 0.000 0.208 345 A C 0.535 178.141 177.584 0.036 0.000 1.201 345 A CA 0.212 52.267 52.037 0.030 0.000 0.824 345 A CB -0.085 18.929 19.000 0.023 0.000 0.838 345 A HN 0.051 nan 8.150 nan 0.000 0.485 346 L N -0.030 121.220 121.223 0.045 0.000 2.346 346 L HA 0.331 4.672 4.340 0.001 0.000 0.274 346 L C 0.021 176.936 176.870 0.073 0.000 1.007 346 L CA -0.692 54.175 54.840 0.046 0.000 0.818 346 L CB 1.802 43.879 42.059 0.030 0.000 1.284 346 L HN 0.191 nan 8.230 nan 0.000 0.424 347 E N 2.050 122.290 120.200 0.067 0.000 2.384 347 E HA -0.123 4.227 4.350 0.001 0.000 0.266 347 E C 0.349 177.028 176.600 0.131 0.000 1.012 347 E CA 0.178 56.639 56.400 0.102 0.000 0.901 347 E CB 0.892 30.636 29.700 0.074 0.000 0.967 347 E HN 0.649 nan 8.360 nan 0.000 0.435 348 W N 5.637 126.942 121.300 0.009 0.000 2.274 348 W HA -0.367 4.293 4.660 0.001 0.000 0.314 348 W C 1.700 178.227 176.519 0.013 0.000 1.254 348 W CA 2.251 59.602 57.345 0.008 0.000 1.265 348 W CB 0.048 29.511 29.460 0.005 0.000 1.141 348 W HN 0.607 nan 8.180 nan 0.000 0.505 349 K N -0.237 120.104 120.400 -0.098 0.000 2.147 349 K HA -0.164 4.156 4.320 0.001 0.000 0.205 349 K C 1.643 178.112 176.600 -0.219 0.000 1.049 349 K CA 1.922 58.088 56.287 -0.202 0.000 0.936 349 K CB -0.968 31.515 32.500 -0.028 0.000 0.722 349 K HN 0.116 nan 8.250 nan 0.000 0.446 350 V N 1.884 121.711 119.914 -0.144 0.000 2.307 350 V HA -0.193 3.927 4.120 0.001 0.000 0.245 350 V C 2.240 178.216 176.094 -0.196 0.000 1.045 350 V CA 1.876 64.108 62.300 -0.114 0.000 1.024 350 V CB -0.467 31.323 31.823 -0.056 0.000 0.651 350 V HN 0.356 nan 8.190 nan 0.000 0.449 351 K N -0.158 120.075 120.400 -0.279 0.000 2.032 351 K HA -0.221 4.099 4.320 0.001 0.000 0.209 351 K C 2.104 178.380 176.600 -0.540 0.000 1.048 351 K CA 1.654 57.722 56.287 -0.365 0.000 0.927 351 K CB -0.495 31.789 32.500 -0.360 0.000 0.712 351 K HN 0.254 nan 8.250 nan 0.000 0.441 352 L N 1.972 122.676 121.223 -0.864 0.000 1.955 352 L HA -0.229 4.112 4.340 0.001 0.000 0.213 352 L C 2.398 179.073 176.870 -0.325 0.000 1.072 352 L CA 1.888 56.317 54.840 -0.685 0.000 0.755 352 L CB -0.587 41.049 42.059 -0.706 0.000 0.888 352 L HN 0.231 nan 8.230 nan 0.000 0.432 353 E N -0.838 119.209 120.200 -0.255 0.000 2.114 353 E HA -0.346 4.005 4.350 0.001 0.000 0.199 353 E C 2.173 178.706 176.600 -0.112 0.000 1.008 353 E CA 2.259 58.571 56.400 -0.147 0.000 0.810 353 E CB -0.224 29.427 29.700 -0.082 0.000 0.739 353 E HN 0.477 nan 8.360 nan 0.000 0.456 354 M N 0.729 120.257 119.600 -0.120 0.000 2.086 354 M HA -0.102 4.379 4.480 0.001 0.000 0.261 354 M C 2.066 178.330 176.300 -0.061 0.000 1.067 354 M CA 2.030 57.285 55.300 -0.074 0.000 1.116 354 M CB -0.637 31.922 32.600 -0.069 0.000 1.348 354 M HN 0.145 nan 8.290 nan 0.000 0.407 355 A N -0.145 122.618 122.820 -0.095 0.000 1.898 355 A HA -0.133 4.188 4.320 0.001 0.000 0.216 355 A C 2.076 179.636 177.584 -0.039 0.000 1.181 355 A CA 1.847 53.848 52.037 -0.059 0.000 0.620 355 A CB -0.571 18.384 19.000 -0.075 0.000 0.819 355 A HN 0.541 nan 8.150 nan 0.000 0.442 356 M N -0.642 118.922 119.600 -0.060 0.000 2.067 356 M HA -0.199 4.281 4.480 0.001 0.000 0.260 356 M C 2.242 178.534 176.300 -0.014 0.000 1.069 356 M CA 1.663 56.940 55.300 -0.040 0.000 1.117 356 M CB -1.743 30.822 32.600 -0.058 0.000 1.334 356 M HN 0.525 nan 8.290 nan 0.000 0.407 357 Q N -0.402 119.388 119.800 -0.017 0.000 2.142 357 Q HA -0.220 4.120 4.340 0.001 0.000 0.213 357 Q C 1.964 177.996 176.000 0.053 0.000 1.004 357 Q CA 2.706 58.516 55.803 0.011 0.000 0.883 357 Q CB -0.328 28.407 28.738 -0.005 0.000 0.939 357 Q HN 0.564 nan 8.270 nan 0.000 0.413 358 T N 0.353 114.931 114.554 0.040 0.000 2.770 358 T HA -0.093 4.258 4.350 0.001 0.000 0.263 358 T C 1.667 176.414 174.700 0.078 0.000 1.039 358 T CA 0.806 62.949 62.100 0.072 0.000 1.142 358 T CB -0.067 68.831 68.868 0.050 0.000 0.868 358 T HN 0.121 nan 8.240 nan 0.000 0.435 359 K N 1.090 121.515 120.400 0.041 0.000 2.063 359 K HA -0.030 4.291 4.320 0.001 0.000 0.208 359 K C 2.200 178.829 176.600 0.048 0.000 1.048 359 K CA 1.188 57.494 56.287 0.032 0.000 0.928 359 K CB -0.520 31.984 32.500 0.007 0.000 0.713 359 K HN 0.373 nan 8.250 nan 0.000 0.442 360 I N -0.239 120.364 120.570 0.056 0.000 2.163 360 I HA -0.305 3.866 4.170 0.001 0.000 0.240 360 I C 2.419 178.586 176.117 0.084 0.000 1.081 360 I CA 1.285 62.620 61.300 0.060 0.000 1.353 360 I CB -0.492 37.541 38.000 0.055 0.000 1.054 360 I HN 0.114 nan 8.210 nan 0.000 0.407 361 Y N 2.011 122.312 120.300 0.002 0.000 2.097 361 Y HA -0.348 4.203 4.550 0.001 0.000 0.282 361 Y C 2.991 178.892 175.900 0.002 0.000 1.152 361 Y CA 2.378 60.479 58.100 0.001 0.000 1.136 361 Y CB -0.833 37.625 38.460 -0.003 0.000 0.975 361 Y HN 0.325 nan 8.280 nan 0.000 0.498 362 T N -3.310 111.232 114.554 -0.020 0.000 2.867 362 T HA -0.171 4.180 4.350 0.001 0.000 0.268 362 T C 1.804 176.432 174.700 -0.120 0.000 1.057 362 T CA 1.891 63.924 62.100 -0.111 0.000 1.136 362 T CB -1.201 67.666 68.868 -0.002 0.000 0.874 362 T HN 0.554 nan 8.240 nan 0.000 0.466 363 T N -0.549 113.979 114.554 -0.043 0.000 2.937 363 T HA -0.003 4.348 4.350 0.001 0.000 0.260 363 T C 1.656 176.355 174.700 -0.002 0.000 1.051 363 T CA 0.805 62.924 62.100 0.031 0.000 1.141 363 T CB -0.425 68.513 68.868 0.116 0.000 0.879 363 T HN 0.167 nan 8.240 nan 0.000 0.459 364 D N 1.228 121.597 120.400 -0.052 0.000 2.097 364 D HA -0.038 4.602 4.640 0.001 0.000 0.195 364 D C 2.244 178.471 176.300 -0.122 0.000 0.989 364 D CA 0.799 54.759 54.000 -0.067 0.000 0.827 364 D CB -0.549 40.216 40.800 -0.058 0.000 0.966 364 D HN 0.251 nan 8.370 nan 0.000 0.456 365 V N 0.961 120.717 119.914 -0.262 0.000 2.667 365 V HA -0.150 3.970 4.120 0.001 0.000 0.252 365 V C 2.331 178.327 176.094 -0.164 0.000 1.065 365 V CA 1.479 63.594 62.300 -0.308 0.000 1.083 365 V CB -0.403 30.986 31.823 -0.723 0.000 0.692 365 V HN 0.170 nan 8.190 nan 0.000 0.468 366 A N -0.450 122.304 122.820 -0.110 0.000 1.972 366 A HA -0.144 4.177 4.320 0.001 0.000 0.219 366 A C 2.334 179.932 177.584 0.023 0.000 1.169 366 A CA 1.979 54.005 52.037 -0.018 0.000 0.635 366 A CB -0.478 18.551 19.000 0.048 0.000 0.810 366 A HN 0.360 nan 8.150 nan 0.000 0.446 367 V N -0.041 119.881 119.914 0.012 0.000 2.270 367 V HA -0.260 3.860 4.120 0.001 0.000 0.245 367 V C 2.355 178.454 176.094 0.009 0.000 1.043 367 V CA 2.278 64.587 62.300 0.016 0.000 1.014 367 V CB -0.937 30.887 31.823 0.001 0.000 0.645 367 V HN 0.645 nan 8.190 nan 0.000 0.447 368 E N -0.825 119.368 120.200 -0.012 0.000 2.160 368 E HA -0.276 4.074 4.350 0.001 0.000 0.195 368 E C 2.228 178.832 176.600 0.007 0.000 0.991 368 E CA 1.654 58.048 56.400 -0.009 0.000 0.810 368 E CB -0.439 29.246 29.700 -0.025 0.000 0.742 368 E HN 0.666 nan 8.360 nan 0.000 0.466 369 C N 0.029 119.335 119.300 0.010 0.000 2.446 369 C HA -0.080 4.381 4.460 0.001 0.000 0.277 369 C C 2.591 177.633 174.990 0.086 0.000 1.275 369 C CA 0.582 59.623 59.018 0.039 0.000 1.727 369 C CB -0.661 27.093 27.740 0.023 0.000 2.010 369 C HN 0.224 nan 8.230 nan 0.000 0.486 370 V N 0.894 120.863 119.914 0.090 0.000 2.453 370 V HA -0.131 3.990 4.120 0.001 0.000 0.247 370 V C 2.221 178.364 176.094 0.081 0.000 1.048 370 V CA 2.188 64.567 62.300 0.131 0.000 1.049 370 V CB -0.527 31.371 31.823 0.125 0.000 0.672 370 V HN 0.549 nan 8.190 nan 0.000 0.457 371 I N 0.039 120.631 120.570 0.037 0.000 2.202 371 I HA -0.199 3.972 4.170 0.001 0.000 0.242 371 I C 2.264 178.368 176.117 -0.023 0.000 1.091 371 I CA 1.504 62.805 61.300 0.001 0.000 1.368 371 I CB -0.448 37.553 38.000 0.001 0.000 1.058 371 I HN 0.265 nan 8.210 nan 0.000 0.410 372 D N 1.061 121.462 120.400 0.001 0.000 2.123 372 D HA -0.188 4.452 4.640 0.001 0.000 0.196 372 D C 2.256 178.549 176.300 -0.012 0.000 0.992 372 D CA 1.607 55.608 54.000 0.002 0.000 0.833 372 D CB -0.247 40.569 40.800 0.027 0.000 0.954 372 D HN 0.358 nan 8.370 nan 0.000 0.455 373 A N 0.470 123.298 122.820 0.014 0.000 1.908 373 A HA -0.197 4.124 4.320 0.001 0.000 0.218 373 A C 2.276 179.668 177.584 -0.319 0.000 1.181 373 A CA 1.562 53.593 52.037 -0.010 0.000 0.627 373 A CB -0.553 18.566 19.000 0.198 0.000 0.818 373 A HN 0.180 nan 8.150 nan 0.000 0.445 374 M N -0.955 118.416 119.600 -0.383 0.000 2.132 374 M HA -0.161 4.319 4.480 0.001 0.000 0.263 374 M C 2.168 178.262 176.300 -0.344 0.000 1.065 374 M CA 1.763 56.718 55.300 -0.575 0.000 1.122 374 M CB -0.367 32.040 32.600 -0.321 0.000 1.365 374 M HN 0.338 nan 8.290 nan 0.000 0.411 375 K N 0.489 120.778 120.400 -0.185 0.000 2.026 375 K HA -0.107 4.213 4.320 0.001 0.000 0.208 375 K C 2.135 178.677 176.600 -0.097 0.000 1.048 375 K CA 1.559 57.776 56.287 -0.116 0.000 0.929 375 K CB -0.346 32.116 32.500 -0.064 0.000 0.713 375 K HN 0.287 nan 8.250 nan 0.000 0.439 376 A N 0.961 123.734 122.820 -0.079 0.000 1.883 376 A HA -0.150 4.171 4.320 0.001 0.000 0.217 376 A C 2.369 179.944 177.584 -0.016 0.000 1.186 376 A CA 1.649 53.677 52.037 -0.015 0.000 0.624 376 A CB -0.739 18.278 19.000 0.029 0.000 0.822 376 A HN 0.095 nan 8.150 nan 0.000 0.444 377 V N -1.077 118.735 119.914 -0.170 0.000 2.515 377 V HA 0.195 4.316 4.120 0.001 0.000 0.250 377 V C 1.783 177.752 176.094 -0.207 0.000 1.058 377 V CA 1.272 63.386 62.300 -0.310 0.000 1.064 377 V CB -1.684 29.722 31.823 -0.696 0.000 0.675 377 V HN 1.265 nan 8.190 nan 0.000 0.461 378 G N -0.740 107.951 108.800 -0.182 0.000 2.527 378 G HA2 -0.361 3.600 3.960 0.001 0.000 0.227 378 G HA3 -0.361 3.600 3.960 0.001 0.000 0.227 378 G C 0.389 175.213 174.900 -0.126 0.000 1.291 378 G CA 0.266 45.300 45.100 -0.110 0.000 0.904 378 G HN 0.163 nan 8.290 nan 0.000 0.577 379 M N 0.553 120.111 119.600 -0.071 0.000 2.144 379 M HA 0.010 4.491 4.480 0.001 0.000 0.260 379 M C 2.324 178.616 176.300 -0.013 0.000 1.067 379 M CA 2.905 58.174 55.300 -0.051 0.000 1.095 379 M CB -0.753 31.829 32.600 -0.031 0.000 1.365 379 M HN 0.578 nan 8.290 nan 0.000 0.406 380 K N -0.543 119.831 120.400 -0.042 0.000 2.211 380 K HA -0.120 4.201 4.320 0.001 0.000 0.204 380 K C 1.830 178.416 176.600 -0.023 0.000 1.047 380 K CA 1.542 57.810 56.287 -0.032 0.000 0.935 380 K CB -0.372 32.083 32.500 -0.076 0.000 0.728 380 K HN 0.617 nan 8.250 nan 0.000 0.452 381 S N -0.237 115.391 115.700 -0.121 0.000 2.500 381 S HA -0.180 4.290 4.470 0.001 0.000 0.239 381 S C 1.629 176.292 174.600 0.104 0.000 0.989 381 S CA 0.717 58.853 58.200 -0.106 0.000 0.951 381 S CB -0.313 62.500 63.200 -0.645 0.000 0.759 381 S HN 0.353 nan 8.310 nan 0.000 0.523 382 Y N 2.207 122.483 120.300 -0.040 0.000 2.482 382 Y HA 0.568 5.119 4.550 0.001 0.000 0.270 382 Y C 0.954 176.860 175.900 0.009 0.000 1.152 382 Y CA -0.466 57.625 58.100 -0.014 0.000 1.292 382 Y CB -0.197 38.244 38.460 -0.032 0.000 1.070 382 Y HN 0.441 nan 8.280 nan 0.000 0.528 383 A N 0.126 122.988 122.820 0.069 0.000 2.324 383 A HA 0.365 4.686 4.320 0.001 0.000 0.330 383 A C 0.671 178.252 177.584 -0.005 0.000 1.165 383 A CA -0.735 51.313 52.037 0.019 0.000 0.813 383 A CB 0.849 19.881 19.000 0.053 0.000 1.197 383 A HN 0.332 nan 8.150 nan 0.000 0.484 384 K N 0.983 121.363 120.400 -0.034 0.000 2.611 384 K HA -0.048 4.273 4.320 0.001 0.000 0.193 384 K C 0.086 176.668 176.600 -0.030 0.000 1.026 384 K CA 0.870 57.133 56.287 -0.041 0.000 1.063 384 K CB 0.142 32.611 32.500 -0.052 0.000 0.839 384 K HN 0.803 nan 8.250 nan 0.000 0.505 385 D N -0.149 120.243 120.400 -0.012 0.000 2.328 385 D HA -0.007 4.633 4.640 0.001 0.000 0.221 385 D C 0.500 176.793 176.300 -0.012 0.000 1.072 385 D CA 0.145 54.138 54.000 -0.012 0.000 0.850 385 D CB 0.262 41.064 40.800 0.003 0.000 0.922 385 D HN 0.098 nan 8.370 nan 0.000 0.516 386 M N -0.561 119.032 119.600 -0.012 0.000 2.796 386 M HA 0.242 4.723 4.480 0.001 0.000 0.303 386 M C 0.744 176.973 176.300 -0.117 0.000 1.240 386 M CA -0.818 54.455 55.300 -0.045 0.000 0.831 386 M CB 2.314 34.959 32.600 0.074 0.000 1.750 386 M HN -0.327 nan 8.290 nan 0.000 0.484 387 S N -0.145 115.377 115.700 -0.297 0.000 2.470 387 S HA 0.033 4.504 4.470 0.001 0.000 0.225 387 S C 1.372 175.823 174.600 -0.248 0.000 1.006 387 S CA 0.742 58.763 58.200 -0.299 0.000 0.934 387 S CB -0.170 62.803 63.200 -0.380 0.000 0.778 387 S HN 0.486 nan 8.310 nan 0.000 0.517 388 F N 2.080 121.994 119.950 -0.060 0.000 2.091 388 F HA -0.065 4.463 4.527 0.001 0.000 0.299 388 F C -0.483 175.274 175.800 -0.073 0.000 1.103 388 F CA 0.967 58.934 58.000 -0.056 0.000 1.228 388 F CB -2.310 36.658 39.000 -0.054 0.000 0.984 388 F HN 0.177 nan 8.300 nan 0.000 0.477 389 P HA -0.224 nan 4.420 nan 0.000 0.216 389 P C 1.624 178.890 177.300 -0.058 0.000 1.154 389 P CA 1.909 64.981 63.100 -0.046 0.000 0.865 389 P CB -0.154 31.481 31.700 -0.107 0.000 0.789 390 R N -0.146 120.316 120.500 -0.063 0.000 2.073 390 R HA -0.095 4.246 4.340 0.001 0.000 0.234 390 R C 2.268 178.510 176.300 -0.096 0.000 1.134 390 R CA 1.422 57.471 56.100 -0.085 0.000 0.952 390 R CB -0.895 29.357 30.300 -0.079 0.000 0.850 390 R HN 0.150 nan 8.270 nan 0.000 0.433 391 L N 0.796 121.983 121.223 -0.059 0.000 2.083 391 L HA -0.192 4.149 4.340 0.001 0.000 0.209 391 L C 2.530 179.389 176.870 -0.018 0.000 1.083 391 L CA 0.601 55.425 54.840 -0.026 0.000 0.752 391 L CB -0.606 41.463 42.059 0.017 0.000 0.899 391 L HN 0.273 nan 8.230 nan 0.000 0.433 392 L N 0.308 121.533 121.223 0.004 0.000 1.994 392 L HA -0.192 4.148 4.340 0.001 0.000 0.208 392 L C 2.316 179.146 176.870 -0.066 0.000 1.071 392 L CA 1.853 56.690 54.840 -0.005 0.000 0.745 392 L CB -0.835 41.233 42.059 0.014 0.000 0.892 392 L HN 0.239 nan 8.230 nan 0.000 0.431 393 N N -0.294 118.349 118.700 -0.095 0.000 2.166 393 N HA -0.207 4.534 4.740 0.001 0.000 0.186 393 N C 1.716 177.094 175.510 -0.219 0.000 1.019 393 N CA 1.750 54.721 53.050 -0.133 0.000 0.856 393 N CB -0.103 38.309 38.487 -0.125 0.000 0.993 393 N HN 0.591 nan 8.380 nan 0.000 0.426 394 E N 0.565 120.593 120.200 -0.286 0.000 2.046 394 E HA -0.077 4.274 4.350 0.001 0.000 0.190 394 E C 1.986 178.307 176.600 -0.464 0.000 0.982 394 E CA 0.496 56.596 56.400 -0.499 0.000 0.800 394 E CB -0.037 29.371 29.700 -0.488 0.000 0.756 394 E HN -0.000 nan 8.360 nan 0.000 0.449 395 V N 1.041 120.791 119.914 -0.274 0.000 2.594 395 V HA -0.211 3.909 4.120 0.001 0.000 0.253 395 V C 1.957 177.880 176.094 -0.285 0.000 1.069 395 V CA 1.217 63.382 62.300 -0.225 0.000 1.082 395 V CB -0.155 31.700 31.823 0.053 0.000 0.680 395 V HN 0.333 nan 8.190 nan 0.000 0.469 396 M N -1.240 118.223 119.600 -0.228 0.000 2.374 396 M HA -0.126 4.354 4.480 0.001 0.000 0.264 396 M C 2.283 178.447 176.300 -0.227 0.000 1.067 396 M CA 1.585 56.785 55.300 -0.167 0.000 1.103 396 M CB -2.036 30.497 32.600 -0.111 0.000 1.402 396 M HN 0.653 nan 8.290 nan 0.000 0.444 397 C N 0.180 119.243 119.300 -0.395 0.000 2.425 397 C HA -0.214 4.246 4.460 0.001 0.000 0.277 397 C C 2.577 177.296 174.990 -0.451 0.000 1.280 397 C CA 0.839 59.566 59.018 -0.485 0.000 1.744 397 C CB -1.055 26.286 27.740 -0.664 0.000 1.989 397 C HN 0.509 nan 8.230 nan 0.000 0.491 398 Y N 2.106 122.252 120.300 -0.256 0.000 2.200 398 Y HA 0.029 4.579 4.550 0.001 0.000 0.290 398 Y C 0.133 176.110 175.900 0.128 0.000 1.137 398 Y CA 1.245 59.287 58.100 -0.098 0.000 1.163 398 Y CB -2.288 36.142 38.460 -0.050 0.000 0.988 398 Y HN 0.421 nan 8.280 nan 0.000 0.518 399 P HA -0.056 nan 4.420 nan 0.000 0.225 399 P C 1.448 178.798 177.300 0.083 0.000 1.156 399 P CA 1.319 64.485 63.100 0.110 0.000 0.787 399 P CB 0.067 31.793 31.700 0.044 0.000 0.802 400 L N -1.274 119.985 121.223 0.061 0.000 2.127 400 L HA 0.087 4.427 4.340 0.001 0.000 0.203 400 L C 1.911 178.815 176.870 0.057 0.000 1.080 400 L CA 0.504 55.344 54.840 -0.000 0.000 0.768 400 L CB -0.609 41.398 42.059 -0.088 0.000 0.924 400 L HN -0.014 nan 8.230 nan 0.000 0.444 401 F N -0.432 119.436 119.950 -0.137 0.000 2.348 401 F HA 0.247 4.775 4.527 0.001 0.000 0.308 401 F C 0.810 176.556 175.800 -0.090 0.000 1.175 401 F CA -0.758 57.150 58.000 -0.155 0.000 1.080 401 F CB 0.359 39.273 39.000 -0.143 0.000 1.341 401 F HN -0.017 nan 8.300 nan 0.000 0.518 402 D N 0.543 120.576 120.400 -0.612 0.000 2.837 402 D HA -0.078 4.563 4.640 0.001 0.000 0.230 402 D C -0.068 176.037 176.300 -0.325 0.000 1.152 402 D CA 1.675 55.330 54.000 -0.574 0.000 0.736 402 D CB -1.394 38.873 40.800 -0.887 0.000 1.084 402 D HN 1.509 nan 8.370 nan 0.000 0.429 403 G N -1.307 107.314 108.800 -0.298 0.000 3.445 403 G HA2 0.338 4.298 3.960 0.001 0.000 0.680 403 G HA3 0.338 4.298 3.960 0.001 0.000 0.680 403 G C 0.559 175.373 174.900 -0.143 0.000 0.972 403 G CA -0.006 44.939 45.100 -0.257 0.000 0.798 403 G HN 0.928 nan 8.290 nan 0.000 0.461 404 G N 1.440 110.174 108.800 -0.109 0.000 2.630 404 G HA2 0.356 4.317 3.960 0.001 0.000 0.236 404 G HA3 0.356 4.317 3.960 0.001 0.000 0.236 404 G C 1.023 175.899 174.900 -0.040 0.000 1.248 404 G CA 0.310 45.375 45.100 -0.058 0.000 0.844 404 G HN 0.704 nan 8.290 nan 0.000 0.588 405 N N 0.289 118.979 118.700 -0.016 0.000 2.188 405 N HA -0.112 4.628 4.740 0.001 0.000 0.184 405 N C 2.187 177.688 175.510 -0.016 0.000 1.018 405 N CA 0.669 53.713 53.050 -0.010 0.000 0.858 405 N CB -0.063 38.427 38.487 0.006 0.000 0.989 405 N HN 0.406 nan 8.380 nan 0.000 0.426 406 I N 0.040 120.600 120.570 -0.017 0.000 2.333 406 I HA -0.003 4.167 4.170 0.001 0.000 0.246 406 I C 2.290 178.396 176.117 -0.018 0.000 1.106 406 I CA 1.033 62.324 61.300 -0.016 0.000 1.411 406 I CB -1.622 36.369 38.000 -0.015 0.000 1.082 406 I HN 0.075 nan 8.210 nan 0.000 0.420 407 G N 0.137 108.923 108.800 -0.022 0.000 2.426 407 G HA2 0.067 4.028 3.960 0.001 0.000 0.214 407 G HA3 0.067 4.028 3.960 0.001 0.000 0.214 407 G C 1.726 176.618 174.900 -0.012 0.000 1.156 407 G CA 0.244 45.334 45.100 -0.016 0.000 0.802 407 G HN 0.250 nan 8.290 nan 0.000 0.534 408 L N -0.887 120.320 121.223 -0.027 0.000 2.670 408 L HA 0.257 4.598 4.340 0.001 0.000 0.177 408 L C 2.674 179.527 176.870 -0.028 0.000 1.181 408 L CA -0.013 54.812 54.840 -0.025 0.000 0.856 408 L CB -0.052 41.968 42.059 -0.065 0.000 1.205 408 L HN -0.163 nan 8.230 nan 0.000 0.506 409 K N 0.917 121.294 120.400 -0.039 0.000 2.020 409 K HA -0.180 4.141 4.320 0.001 0.000 0.212 409 K C 2.040 178.621 176.600 -0.032 0.000 1.050 409 K CA 1.640 57.907 56.287 -0.033 0.000 0.929 409 K CB -0.504 31.979 32.500 -0.028 0.000 0.714 409 K HN 0.254 nan 8.250 nan 0.000 0.443 410 R N 0.493 120.976 120.500 -0.027 0.000 2.148 410 R HA -0.042 4.298 4.340 0.001 0.000 0.227 410 R C 2.407 178.682 176.300 -0.041 0.000 1.103 410 R CA 0.829 56.910 56.100 -0.031 0.000 0.983 410 R CB -0.123 30.164 30.300 -0.022 0.000 0.874 410 R HN 0.016 nan 8.270 nan 0.000 0.451 411 R N 0.776 121.256 120.500 -0.033 0.000 2.073 411 R HA -0.024 4.316 4.340 0.001 0.000 0.229 411 R C 2.168 178.442 176.300 -0.043 0.000 1.120 411 R CA 1.341 57.421 56.100 -0.034 0.000 0.967 411 R CB -0.271 30.018 30.300 -0.019 0.000 0.862 411 R HN 0.282 nan 8.270 nan 0.000 0.436 412 Q N -0.453 119.327 119.800 -0.034 0.000 2.084 412 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 412 Q C 2.078 178.033 176.000 -0.076 0.000 0.978 412 Q CA 1.715 57.495 55.803 -0.038 0.000 0.844 412 Q CB -0.188 28.542 28.738 -0.014 0.000 0.898 412 Q HN 0.314 nan 8.270 nan 0.000 0.426 413 M N 0.559 120.108 119.600 -0.085 0.000 2.132 413 M HA -0.255 4.225 4.480 0.001 0.000 0.263 413 M C 2.306 178.507 176.300 -0.165 0.000 1.065 413 M CA 1.595 56.821 55.300 -0.123 0.000 1.122 413 M CB -0.009 32.533 32.600 -0.097 0.000 1.365 413 M HN 0.152 nan 8.290 nan 0.000 0.411 414 Q N 0.084 119.807 119.800 -0.128 0.000 2.061 414 Q HA -0.257 4.083 4.340 0.001 0.000 0.204 414 Q C 2.156 178.061 176.000 -0.158 0.000 0.984 414 Q CA 1.851 57.570 55.803 -0.139 0.000 0.846 414 Q CB -0.176 28.507 28.738 -0.091 0.000 0.902 414 Q HN 0.508 nan 8.270 nan 0.000 0.421 415 R N -0.501 119.926 120.500 -0.123 0.000 2.083 415 R HA -0.149 4.192 4.340 0.001 0.000 0.237 415 R C 2.303 178.515 176.300 -0.146 0.000 1.137 415 R CA 1.676 57.711 56.100 -0.109 0.000 0.951 415 R CB -0.291 29.966 30.300 -0.073 0.000 0.851 415 R HN 0.213 nan 8.270 nan 0.000 0.434 416 V N 1.207 121.013 119.914 -0.179 0.000 2.287 416 V HA -0.309 3.811 4.120 0.001 0.000 0.248 416 V C 2.361 178.184 176.094 -0.451 0.000 1.053 416 V CA 2.021 64.183 62.300 -0.229 0.000 1.027 416 V CB -0.370 31.330 31.823 -0.206 0.000 0.646 416 V HN 0.390 nan 8.190 nan 0.000 0.447 417 M N -0.097 119.105 119.600 -0.664 0.000 2.279 417 M HA -0.127 4.354 4.480 0.001 0.000 0.264 417 M C 2.236 178.221 176.300 -0.525 0.000 1.062 417 M CA 1.905 56.537 55.300 -1.114 0.000 1.099 417 M CB -0.556 31.559 32.600 -0.809 0.000 1.394 417 M HN 0.387 nan 8.290 nan 0.000 0.426 418 A N 0.557 123.205 122.820 -0.287 0.000 2.014 418 A HA 0.082 4.402 4.320 0.001 0.000 0.218 418 A C 1.168 178.699 177.584 -0.089 0.000 1.163 418 A CA 0.322 52.272 52.037 -0.145 0.000 0.652 418 A CB -0.647 18.289 19.000 -0.107 0.000 0.808 418 A HN 0.361 nan 8.150 nan 0.000 0.449 419 L N 0.326 121.492 121.223 -0.095 0.000 2.573 419 L HA -0.096 4.245 4.340 0.001 0.000 0.290 419 L C 1.615 178.498 176.870 0.020 0.000 1.247 419 L CA 0.060 54.883 54.840 -0.028 0.000 0.876 419 L CB 0.232 42.283 42.059 -0.014 0.000 1.123 419 L HN 0.516 nan 8.230 nan 0.000 0.505 420 E N 1.363 121.576 120.200 0.022 0.000 2.110 420 E HA -0.209 4.141 4.350 0.001 0.000 0.193 420 E C 0.608 177.239 176.600 0.051 0.000 0.988 420 E CA 1.456 57.874 56.400 0.031 0.000 0.804 420 E CB 0.214 29.925 29.700 0.018 0.000 0.745 420 E HN 0.777 nan 8.360 nan 0.000 0.458 421 D N -0.614 119.819 120.400 0.055 0.000 2.722 421 D HA -0.092 4.549 4.640 0.001 0.000 0.239 421 D C -0.508 175.840 176.300 0.080 0.000 1.249 421 D CA -0.501 53.529 54.000 0.052 0.000 0.830 421 D CB -1.083 39.737 40.800 0.034 0.000 1.025 421 D HN 0.230 nan 8.370 nan 0.000 0.486 422 Y N 1.402 121.673 120.300 -0.047 0.000 2.537 422 Y HA 0.140 4.690 4.550 0.001 0.000 0.339 422 Y C -0.202 175.647 175.900 -0.086 0.000 1.066 422 Y CA -0.272 57.783 58.100 -0.075 0.000 1.357 422 Y CB 0.562 38.968 38.460 -0.091 0.000 1.175 422 Y HN -0.087 nan 8.280 nan 0.000 0.525 423 E N 9.375 129.356 120.200 -0.364 0.000 2.167 423 E HA 0.126 4.476 4.350 0.001 0.000 0.247 423 E C -1.793 174.381 176.600 -0.709 0.000 0.961 423 E CA -1.975 54.165 56.400 -0.434 0.000 0.797 423 E CB 0.781 30.383 29.700 -0.162 0.000 1.182 423 E HN 0.627 nan 8.360 nan 0.000 0.437 424 P HA -0.178 nan 4.420 nan 0.000 0.218 424 P C 0.104 176.848 177.300 -0.927 0.000 1.146 424 P CA 1.316 63.624 63.100 -1.320 0.000 0.813 424 P CB 0.111 30.879 31.700 -1.553 0.000 0.778 425 W N -1.486 119.711 121.300 -0.171 0.000 3.005 425 W HA 0.544 5.204 4.660 0.001 0.000 0.374 425 W C 2.108 178.576 176.519 -0.084 0.000 1.076 425 W CA -0.145 57.142 57.345 -0.097 0.000 1.794 425 W CB -0.414 29.063 29.460 0.028 0.000 1.113 425 W HN -0.129 nan 8.180 nan 0.000 0.584 426 A N 1.400 124.252 122.820 0.053 0.000 1.915 426 A HA -0.244 4.077 4.320 0.001 0.000 0.220 426 A C 2.182 179.784 177.584 0.031 0.000 1.198 426 A CA 2.655 54.715 52.037 0.038 0.000 0.647 426 A CB -1.015 17.975 19.000 -0.016 0.000 0.825 426 A HN 0.277 nan 8.150 nan 0.000 0.456 427 A N -2.075 120.750 122.820 0.007 0.000 2.125 427 A HA 0.023 4.344 4.320 0.001 0.000 0.219 427 A C 2.118 179.682 177.584 -0.034 0.000 1.156 427 A CA 2.224 54.256 52.037 -0.009 0.000 0.671 427 A CB -0.597 18.395 19.000 -0.013 0.000 0.794 427 A HN 0.486 nan 8.150 nan 0.000 0.459 428 T N -2.827 111.684 114.554 -0.072 0.000 3.087 428 T HA 0.139 4.490 4.350 0.001 0.000 0.237 428 T C 1.022 175.568 174.700 -0.256 0.000 0.990 428 T CA 0.636 62.578 62.100 -0.263 0.000 1.160 428 T CB -0.106 68.454 68.868 -0.514 0.000 0.923 428 T HN 0.521 nan 8.240 nan 0.000 0.442 429 Y N 1.477 121.816 120.300 0.064 0.000 2.524 429 Y HA 0.445 4.995 4.550 0.001 0.000 0.266 429 Y C 1.557 177.475 175.900 0.031 0.000 1.180 429 Y CA -0.393 57.727 58.100 0.033 0.000 1.244 429 Y CB 0.276 38.753 38.460 0.028 0.000 1.125 429 Y HN 0.420 nan 8.280 nan 0.000 0.524 430 G N 0.711 109.593 108.800 0.138 0.000 2.752 430 G HA2 -0.227 3.733 3.960 0.001 0.000 0.234 430 G HA3 -0.227 3.733 3.960 0.001 0.000 0.234 430 G C -0.265 174.686 174.900 0.085 0.000 1.367 430 G CA -0.315 44.839 45.100 0.089 0.000 0.879 430 G HN 0.249 nan 8.290 nan 0.000 0.563 431 S N 0.000 115.733 115.700 0.055 0.000 2.498 431 S HA 0.000 4.471 4.470 0.001 0.000 0.327 431 S CA 0.000 58.224 58.200 0.041 0.000 1.107 431 S CB 0.000 63.218 63.200 0.029 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517