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 2v0i_1_A DATA FIRST_RESID 4 DATA SEQUENCE KALSAVILAA GKGTRMYSDL PKVLHTIAGK PMVKHVIDTA HQLGSENIHL DATA SEQUENCE IYGHGGDLMR THLANEQVNW VLQTEQLGTA HAVQQAAPFF KDNENIVVLY DATA SEQUENCE GDAPLITKET LEKLIEAKPE NGIALLTVNL DNPTGYGRII RENGNVVAIV DATA SEQUENCE EQKDANAEQL NIKEVNTGVM VSDGASFKKW LARVGNNNAQ GEYYLTDLIA DATA SEQUENCE LANQDNCQVV AVQATDVMEV EGANNRLQLA ALERYFQNKQ ASKLLLEGVM DATA SEQUENCE IYDPARFDLR GTLEHGKDVE IDVNVIIEGN VKLGDRVKIG TGCVLKNVVI DATA SEQUENCE GNDVEIKPYS VLEDSIVGEK AAIGPFSRLR PGAELAAETH VGNFVEIKKS DATA SEQUENCE TVGKGSKVNH LTYVGDSEIG SNCNIGAGVI TCNYDGANKF KTIIGDDVFV DATA SEQUENCE GSDTQLVAPV KVANGATIGA GTTITRDVGE NELVITRVAQ RHIQGWQRPI DATA SEQUENCE K 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.601 176.600 0.001 0.000 0.988 4 K CA 0.000 56.289 56.287 0.004 0.000 0.838 4 K CB 0.000 32.504 32.500 0.007 0.000 1.064 5 A N 1.604 124.425 122.820 0.002 0.000 2.346 5 A HA 0.591 4.911 4.320 0.000 0.000 0.255 5 A C -0.772 176.808 177.584 -0.006 0.000 1.113 5 A CA 0.023 52.059 52.037 -0.001 0.000 0.798 5 A CB 0.307 19.311 19.000 0.006 0.000 1.073 5 A HN 0.512 nan 8.150 nan 0.000 0.502 6 L N -0.581 120.633 121.223 -0.015 0.000 2.482 6 L HA 0.673 5.013 4.340 0.000 0.000 0.263 6 L C -0.402 176.445 176.870 -0.039 0.000 0.957 6 L CA 0.266 55.090 54.840 -0.028 0.000 0.836 6 L CB 2.208 44.250 42.059 -0.028 0.000 1.324 6 L HN 0.653 nan 8.230 nan 0.000 0.406 7 S N 1.910 117.574 115.700 -0.060 0.000 2.667 7 S HA 0.995 5.465 4.470 0.000 0.000 0.292 7 S C -1.081 173.456 174.600 -0.104 0.000 1.126 7 S CA -0.238 57.915 58.200 -0.077 0.000 0.881 7 S CB 1.884 65.068 63.200 -0.028 0.000 1.132 7 S HN 0.942 nan 8.310 nan 0.000 0.492 8 A N 0.699 123.453 122.820 -0.110 0.000 2.374 8 A HA 0.850 5.170 4.320 0.000 0.000 0.317 8 A C -1.195 176.357 177.584 -0.054 0.000 1.094 8 A CA -0.748 51.230 52.037 -0.098 0.000 0.765 8 A CB 1.479 20.426 19.000 -0.089 0.000 1.268 8 A HN 0.728 nan 8.150 nan 0.000 0.438 9 V N 3.329 123.206 119.914 -0.061 0.000 2.487 9 V HA 0.655 4.775 4.120 0.000 0.000 0.298 9 V C -1.137 174.895 176.094 -0.104 0.000 1.028 9 V CA -0.588 61.706 62.300 -0.011 0.000 0.860 9 V CB 1.123 32.960 31.823 0.024 0.000 0.991 9 V HN 0.692 nan 8.190 nan 0.000 0.427 10 I N 7.404 127.917 120.570 -0.094 0.000 2.382 10 I HA 0.358 4.528 4.170 0.000 0.000 0.286 10 I C -0.843 175.214 176.117 -0.099 0.000 1.002 10 I CA -0.675 60.547 61.300 -0.130 0.000 1.135 10 I CB 1.717 39.654 38.000 -0.103 0.000 1.288 10 I HN 0.419 nan 8.210 nan 0.000 0.448 11 L N 6.381 127.510 121.223 -0.156 0.000 2.313 11 L HA 0.395 4.735 4.340 0.000 0.000 0.282 11 L C 0.771 177.681 176.870 0.066 0.000 1.092 11 L CA 0.646 55.468 54.840 -0.030 0.000 0.831 11 L CB 1.146 43.194 42.059 -0.019 0.000 1.159 11 L HN 0.778 nan 8.230 nan 0.000 0.442 12 A N 2.970 125.849 122.820 0.099 0.000 2.524 12 A HA 0.602 4.922 4.320 0.000 0.000 0.267 12 A C 1.024 178.704 177.584 0.161 0.000 0.881 12 A CA 0.382 52.490 52.037 0.119 0.000 1.077 12 A CB 0.068 19.114 19.000 0.077 0.000 1.220 12 A HN 0.632 nan 8.150 nan 0.000 0.488 13 A N -0.146 122.775 122.820 0.167 0.000 2.275 13 A HA 0.530 4.850 4.320 0.000 0.000 0.212 13 A C 1.252 178.974 177.584 0.231 0.000 1.201 13 A CA 0.647 52.794 52.037 0.183 0.000 0.843 13 A CB -0.324 18.759 19.000 0.138 0.000 0.873 13 A HN 0.950 nan 8.150 nan 0.000 0.492 14 G N -0.660 108.249 108.800 0.182 0.000 2.467 14 G HA2 0.317 4.277 3.960 0.000 0.000 0.257 14 G HA3 0.317 4.277 3.960 0.000 0.000 0.257 14 G C 0.634 175.568 174.900 0.056 0.000 1.227 14 G CA -0.146 45.033 45.100 0.131 0.000 0.835 14 G HN 0.343 nan 8.290 nan 0.000 0.556 15 K N 1.055 121.362 120.400 -0.156 0.000 2.155 15 K HA 0.077 4.397 4.320 0.000 0.000 0.203 15 K C 1.572 178.098 176.600 -0.123 0.000 1.052 15 K CA 0.905 57.013 56.287 -0.298 0.000 0.948 15 K CB -0.276 31.842 32.500 -0.636 0.000 0.728 15 K HN 1.061 nan 8.250 nan 0.000 0.448 16 G N 1.314 110.055 108.800 -0.098 0.000 2.333 16 G HA2 -0.237 3.723 3.960 0.000 0.000 0.296 16 G HA3 -0.237 3.723 3.960 0.000 0.000 0.296 16 G C 0.417 175.220 174.900 -0.161 0.000 1.059 16 G CA 0.550 45.602 45.100 -0.079 0.000 1.050 16 G HN 0.359 nan 8.290 nan 0.000 0.508 17 T N 0.210 114.637 114.554 -0.212 0.000 2.699 17 T HA -0.148 4.202 4.350 0.000 0.000 0.268 17 T C 2.428 176.763 174.700 -0.608 0.000 1.036 17 T CA 1.528 63.445 62.100 -0.306 0.000 1.147 17 T CB -0.123 68.608 68.868 -0.228 0.000 0.862 17 T HN 0.500 nan 8.240 nan 0.000 0.446 18 R N 0.528 120.721 120.500 -0.511 0.000 2.323 18 R HA 0.193 4.533 4.340 0.000 0.000 0.198 18 R C 1.789 177.793 176.300 -0.493 0.000 0.988 18 R CA 0.293 56.006 56.100 -0.645 0.000 1.041 18 R CB -0.187 29.957 30.300 -0.260 0.000 0.926 18 R HN 0.440 nan 8.270 nan 0.000 0.476 19 M N -0.703 118.669 119.600 -0.379 0.000 2.492 19 M HA -0.017 4.463 4.480 0.000 0.000 0.262 19 M C -0.164 176.081 176.300 -0.092 0.000 1.090 19 M CA 0.362 55.516 55.300 -0.243 0.000 1.110 19 M CB -0.549 31.872 32.600 -0.297 0.000 1.407 19 M HN 0.059 nan 8.290 nan 0.000 0.470 20 Y N 0.493 120.777 120.300 -0.027 0.000 2.988 20 Y HA -0.220 4.330 4.550 0.000 0.000 0.193 20 Y C 0.569 176.483 175.900 0.023 0.000 1.388 20 Y CA 0.311 58.408 58.100 -0.004 0.000 0.904 20 Y CB -1.882 36.572 38.460 -0.011 0.000 1.297 20 Y HN 0.242 nan 8.280 nan 0.000 0.432 21 S N -0.719 115.050 115.700 0.114 0.000 2.595 21 S HA 0.466 4.936 4.470 0.000 0.000 0.281 21 S C 0.423 175.084 174.600 0.101 0.000 1.117 21 S CA -0.841 57.448 58.200 0.148 0.000 0.873 21 S CB 1.495 64.870 63.200 0.291 0.000 1.108 21 S HN 0.244 nan 8.310 nan 0.000 0.477 22 D N 1.531 121.982 120.400 0.085 0.000 2.347 22 D HA 0.210 4.850 4.640 0.000 0.000 0.213 22 D C 0.369 176.680 176.300 0.019 0.000 0.985 22 D CA 0.519 54.549 54.000 0.050 0.000 0.879 22 D CB 0.027 40.854 40.800 0.045 0.000 0.919 22 D HN 0.414 nan 8.370 nan 0.000 0.526 23 L N 2.066 123.288 121.223 -0.003 0.000 2.418 23 L HA 0.264 4.604 4.340 0.000 0.000 0.265 23 L C -1.881 174.950 176.870 -0.065 0.000 1.143 23 L CA -1.721 53.047 54.840 -0.119 0.000 0.809 23 L CB 0.673 42.522 42.059 -0.351 0.000 1.124 23 L HN -0.176 nan 8.230 nan 0.000 0.456 24 P HA 0.038 nan 4.420 nan 0.000 0.274 24 P C -0.017 177.287 177.300 0.007 0.000 1.246 24 P CA -0.481 62.621 63.100 0.003 0.000 0.795 24 P CB 0.946 32.672 31.700 0.043 0.000 1.006 25 K N 0.736 121.188 120.400 0.086 0.000 2.044 25 K HA -0.138 4.182 4.320 0.000 0.000 0.210 25 K C 1.476 178.184 176.600 0.181 0.000 1.049 25 K CA 2.245 58.630 56.287 0.163 0.000 0.927 25 K CB -0.460 32.096 32.500 0.094 0.000 0.713 25 K HN 0.361 nan 8.250 nan 0.000 0.443 26 V N -1.220 118.747 119.914 0.088 0.000 3.623 26 V HA 0.063 4.183 4.120 0.000 0.000 0.271 26 V C 1.442 177.551 176.094 0.025 0.000 1.248 26 V CA 0.663 63.008 62.300 0.076 0.000 1.156 26 V CB -0.186 31.681 31.823 0.073 0.000 0.870 26 V HN 0.176 nan 8.190 nan 0.000 0.453 27 L N -0.299 120.878 121.223 -0.076 0.000 2.567 27 L HA 0.292 4.632 4.340 0.000 0.000 0.225 27 L C 0.809 177.579 176.870 -0.166 0.000 1.119 27 L CA -0.057 54.698 54.840 -0.141 0.000 0.871 27 L CB -0.500 41.402 42.059 -0.262 0.000 1.036 27 L HN 0.421 nan 8.230 nan 0.000 0.459 28 H N 0.416 119.494 119.070 0.014 0.000 2.897 28 H HA 0.058 4.614 4.556 -0.000 0.000 0.347 28 H C 0.763 176.113 175.328 0.036 0.000 1.068 28 H CA 0.319 56.380 56.048 0.023 0.000 1.426 28 H CB 0.479 30.251 29.762 0.016 0.000 1.410 28 H HN 0.047 nan 8.280 nan 0.000 0.597 29 T N 1.217 115.860 114.554 0.149 0.000 2.922 29 T HA 0.497 4.847 4.350 0.000 0.000 0.285 29 T C -0.010 174.745 174.700 0.091 0.000 1.005 29 T CA -0.938 61.227 62.100 0.107 0.000 1.061 29 T CB 0.971 69.892 68.868 0.088 0.000 1.007 29 T HN 0.280 nan 8.240 nan 0.000 0.502 30 I N 1.580 122.202 120.570 0.087 0.000 2.436 30 I HA 0.496 4.666 4.170 0.000 0.000 0.289 30 I C 0.939 177.102 176.117 0.076 0.000 1.010 30 I CA -0.710 60.588 61.300 -0.003 0.000 1.098 30 I CB 0.790 38.626 38.000 -0.273 0.000 1.266 30 I HN 1.159 nan 8.210 nan 0.000 0.434 31 A N 4.829 127.698 122.820 0.083 0.000 2.783 31 A HA -0.106 4.214 4.320 0.000 0.000 0.292 31 A C 1.403 179.063 177.584 0.126 0.000 1.495 31 A CA 1.451 53.586 52.037 0.164 0.000 0.787 31 A CB -1.881 17.319 19.000 0.332 0.000 1.017 31 A HN 2.089 nan 8.150 nan 0.000 0.516 32 G N -1.880 106.974 108.800 0.089 0.000 2.179 32 G HA2 -0.171 3.789 3.960 0.000 0.000 0.260 32 G HA3 -0.171 3.789 3.960 0.000 0.000 0.260 32 G C -0.030 174.895 174.900 0.041 0.000 0.977 32 G CA 1.390 46.526 45.100 0.060 0.000 0.641 32 G HN 2.265 nan 8.290 nan 0.000 0.533 33 K N -0.577 119.846 120.400 0.039 0.000 2.435 33 K HA 0.742 5.062 4.320 0.000 0.000 0.251 33 K C -3.256 173.353 176.600 0.014 0.000 0.954 33 K CA -2.573 53.701 56.287 -0.023 0.000 0.820 33 K CB 2.553 34.961 32.500 -0.152 0.000 1.292 33 K HN -0.056 nan 8.250 nan 0.000 0.436 34 P HA -0.053 nan 4.420 nan 0.000 0.263 34 P C 0.536 177.890 177.300 0.090 0.000 1.175 34 P CA 0.215 63.341 63.100 0.044 0.000 0.761 34 P CB 0.373 32.089 31.700 0.027 0.000 0.794 35 M N 2.535 122.213 119.600 0.129 0.000 2.108 35 M HA -0.197 4.283 4.480 0.000 0.000 0.257 35 M C 1.950 178.329 176.300 0.131 0.000 1.071 35 M CA 1.898 57.295 55.300 0.161 0.000 1.093 35 M CB -0.771 31.884 32.600 0.093 0.000 1.345 35 M HN 0.193 nan 8.290 nan 0.000 0.403 36 V N 0.414 120.368 119.914 0.067 0.000 2.594 36 V HA -0.256 3.864 4.120 0.000 0.000 0.253 36 V C 2.144 178.236 176.094 -0.003 0.000 1.069 36 V CA 1.834 64.152 62.300 0.029 0.000 1.082 36 V CB -0.437 31.389 31.823 0.004 0.000 0.680 36 V HN 0.431 nan 8.190 nan 0.000 0.469 37 K N -1.215 119.166 120.400 -0.031 0.000 2.097 37 K HA -0.151 4.169 4.320 0.000 0.000 0.205 37 K C 2.038 178.570 176.600 -0.113 0.000 1.050 37 K CA 1.524 57.752 56.287 -0.098 0.000 0.938 37 K CB -0.348 32.062 32.500 -0.150 0.000 0.718 37 K HN 0.619 nan 8.250 nan 0.000 0.442 38 H N 0.198 119.245 119.070 -0.038 0.000 2.352 38 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 38 H C 2.244 177.569 175.328 -0.005 0.000 1.097 38 H CA 1.487 57.516 56.048 -0.033 0.000 1.311 38 H CB -0.097 29.614 29.762 -0.086 0.000 1.377 38 H HN -0.026 nan 8.280 nan 0.000 0.504 39 V N 1.060 121.041 119.914 0.111 0.000 2.379 39 V HA -0.186 3.934 4.120 0.000 0.000 0.245 39 V C 2.698 178.804 176.094 0.021 0.000 1.044 39 V CA 1.229 63.568 62.300 0.063 0.000 1.036 39 V CB -0.487 31.364 31.823 0.047 0.000 0.664 39 V HN 0.238 nan 8.190 nan 0.000 0.453 40 I N 0.407 120.968 120.570 -0.015 0.000 2.163 40 I HA -0.258 3.912 4.170 0.000 0.000 0.243 40 I C 2.306 178.421 176.117 -0.003 0.000 1.085 40 I CA 1.712 62.984 61.300 -0.046 0.000 1.347 40 I CB -0.485 37.457 38.000 -0.098 0.000 1.044 40 I HN 0.301 nan 8.210 nan 0.000 0.408 41 D N 0.276 120.681 120.400 0.008 0.000 2.117 41 D HA -0.147 4.493 4.640 0.000 0.000 0.197 41 D C 2.248 178.605 176.300 0.096 0.000 0.987 41 D CA 1.560 55.590 54.000 0.050 0.000 0.829 41 D CB -0.391 40.428 40.800 0.031 0.000 0.961 41 D HN 0.265 nan 8.370 nan 0.000 0.460 42 T N 0.435 115.039 114.554 0.083 0.000 2.777 42 T HA -0.090 4.260 4.350 0.000 0.000 0.266 42 T C 1.988 176.720 174.700 0.052 0.000 1.040 42 T CA 1.404 63.550 62.100 0.077 0.000 1.141 42 T CB -0.265 68.652 68.868 0.083 0.000 0.868 42 T HN 0.190 nan 8.240 nan 0.000 0.444 43 A N 0.917 123.761 122.820 0.040 0.000 1.933 43 A HA -0.171 4.149 4.320 0.000 0.000 0.218 43 A C 2.019 179.620 177.584 0.029 0.000 1.175 43 A CA 2.161 54.207 52.037 0.014 0.000 0.628 43 A CB -0.858 18.133 19.000 -0.015 0.000 0.814 43 A HN 0.646 nan 8.150 nan 0.000 0.444 44 H N -0.691 118.356 119.070 -0.038 0.000 2.357 44 H HA -0.048 4.508 4.556 0.000 0.000 0.301 44 H C 2.095 177.411 175.328 -0.020 0.000 1.082 44 H CA 1.880 57.906 56.048 -0.037 0.000 1.342 44 H CB 0.016 29.754 29.762 -0.039 0.000 1.389 44 H HN 0.342 nan 8.280 nan 0.000 0.511 45 Q N -0.204 119.576 119.800 -0.032 0.000 2.224 45 Q HA -0.076 4.263 4.340 0.000 0.000 0.203 45 Q C 2.240 178.193 176.000 -0.078 0.000 0.970 45 Q CA 0.597 56.357 55.803 -0.071 0.000 0.865 45 Q CB -0.276 28.473 28.738 0.019 0.000 0.922 45 Q HN 0.407 nan 8.270 nan 0.000 0.445 46 L N -0.227 120.965 121.223 -0.052 0.000 2.275 46 L HA 0.017 4.357 4.340 0.000 0.000 0.215 46 L C 0.983 177.811 176.870 -0.069 0.000 1.119 46 L CA 1.905 56.720 54.840 -0.042 0.000 0.790 46 L CB -0.265 41.782 42.059 -0.019 0.000 0.919 46 L HN 0.411 nan 8.230 nan 0.000 0.443 47 G N -1.425 107.305 108.800 -0.118 0.000 2.141 47 G HA2 -0.223 3.737 3.960 0.000 0.000 0.195 47 G HA3 -0.223 3.737 3.960 0.000 0.000 0.195 47 G C 0.350 175.194 174.900 -0.092 0.000 1.012 47 G CA 0.219 45.242 45.100 -0.128 0.000 0.696 47 G HN 0.325 nan 8.290 nan 0.000 0.508 48 S N 0.320 115.972 115.700 -0.079 0.000 2.525 48 S HA 0.235 4.705 4.470 0.000 0.000 0.285 48 S C 1.443 176.012 174.600 -0.051 0.000 1.283 48 S CA 0.395 58.559 58.200 -0.060 0.000 1.072 48 S CB 1.165 64.329 63.200 -0.060 0.000 0.867 48 S HN 0.503 nan 8.310 nan 0.000 0.492 49 E N 2.876 123.047 120.200 -0.048 0.000 2.046 49 E HA -0.061 4.289 4.350 0.000 0.000 0.190 49 E C 0.004 176.567 176.600 -0.061 0.000 0.982 49 E CA 0.814 57.194 56.400 -0.034 0.000 0.800 49 E CB 0.064 29.756 29.700 -0.014 0.000 0.756 49 E HN 0.630 nan 8.360 nan 0.000 0.449 50 N N 0.055 118.685 118.700 -0.117 0.000 2.319 50 N HA 0.448 5.188 4.740 0.000 0.000 0.305 50 N C -1.064 174.221 175.510 -0.376 0.000 1.103 50 N CA -0.447 52.442 53.050 -0.268 0.000 0.815 50 N CB 2.296 40.572 38.487 -0.352 0.000 1.288 50 N HN -0.105 nan 8.380 nan 0.000 0.493 51 I N 2.005 122.308 120.570 -0.445 0.000 2.448 51 I HA 0.181 4.351 4.170 0.000 0.000 0.281 51 I C -0.797 175.044 176.117 -0.460 0.000 1.027 51 I CA -0.674 60.402 61.300 -0.374 0.000 1.111 51 I CB 0.787 38.652 38.000 -0.225 0.000 1.236 51 I HN 0.425 nan 8.210 nan 0.000 0.452 52 H N 6.460 125.453 119.070 -0.129 0.000 2.705 52 H HA 0.268 4.824 4.556 -0.000 0.000 0.291 52 H C -0.567 174.669 175.328 -0.153 0.000 1.085 52 H CA -0.701 55.262 56.048 -0.142 0.000 1.357 52 H CB 1.878 31.617 29.762 -0.038 0.000 1.419 52 H HN 0.330 nan 8.280 nan 0.000 0.462 53 L N 5.693 126.828 121.223 -0.148 0.000 2.255 53 L HA 0.212 4.552 4.340 0.000 0.000 0.289 53 L C -0.580 176.288 176.870 -0.004 0.000 1.046 53 L CA -0.468 54.257 54.840 -0.192 0.000 0.816 53 L CB 0.218 41.961 42.059 -0.527 0.000 1.197 53 L HN 0.399 nan 8.230 nan 0.000 0.427 54 I N 7.169 127.774 120.570 0.060 0.000 2.322 54 I HA 0.209 4.379 4.170 0.000 0.000 0.292 54 I C -0.102 176.150 176.117 0.224 0.000 1.060 54 I CA -0.202 61.182 61.300 0.139 0.000 1.309 54 I CB -0.451 37.597 38.000 0.080 0.000 1.415 54 I HN 0.660 nan 8.210 nan 0.000 0.492 55 Y N 4.068 124.417 120.300 0.083 0.000 2.602 55 Y HA 0.935 5.485 4.550 -0.000 0.000 0.342 55 Y C 0.345 176.312 175.900 0.110 0.000 1.029 55 Y CA -0.612 57.562 58.100 0.122 0.000 1.080 55 Y CB 2.035 40.625 38.460 0.218 0.000 1.284 55 Y HN 0.554 nan 8.280 nan 0.000 0.485 56 G N -0.090 108.699 108.800 -0.018 0.000 3.311 56 G HA2 0.061 4.021 3.960 0.000 0.000 0.130 56 G HA3 0.061 4.021 3.960 0.000 0.000 0.130 56 G C -0.778 174.073 174.900 -0.082 0.000 1.323 56 G CA -0.525 44.473 45.100 -0.170 0.000 1.262 56 G HN 0.697 nan 8.290 nan 0.000 0.678 57 H N 1.306 120.400 119.070 0.040 0.000 2.897 57 H HA 0.338 4.894 4.556 -0.000 0.000 0.347 57 H C 1.516 176.887 175.328 0.073 0.000 1.068 57 H CA 1.492 57.568 56.048 0.046 0.000 1.426 57 H CB 0.645 30.430 29.762 0.038 0.000 1.410 57 H HN 1.117 nan 8.280 nan 0.000 0.597 58 G N 2.601 111.507 108.800 0.176 0.000 2.305 58 G HA2 -0.306 3.654 3.960 0.000 0.000 0.287 58 G HA3 -0.306 3.654 3.960 0.000 0.000 0.287 58 G C 1.402 176.385 174.900 0.138 0.000 1.036 58 G CA 0.717 45.886 45.100 0.115 0.000 0.887 58 G HN 0.903 nan 8.290 nan 0.000 0.505 59 G N 0.070 108.968 108.800 0.165 0.000 2.476 59 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 59 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 59 G C 1.333 176.347 174.900 0.191 0.000 1.164 59 G CA 1.594 46.870 45.100 0.292 0.000 0.768 59 G HN 0.495 nan 8.290 nan 0.000 0.560 60 D N 0.463 120.920 120.400 0.094 0.000 2.123 60 D HA -0.071 4.569 4.640 0.000 0.000 0.196 60 D C 2.648 178.971 176.300 0.039 0.000 0.992 60 D CA 0.555 54.578 54.000 0.037 0.000 0.833 60 D CB -0.344 40.473 40.800 0.029 0.000 0.954 60 D HN 0.313 nan 8.370 nan 0.000 0.455 61 L N 0.090 121.341 121.223 0.047 0.000 2.093 61 L HA -0.137 4.203 4.340 0.000 0.000 0.208 61 L C 2.549 179.437 176.870 0.030 0.000 1.085 61 L CA 0.639 55.491 54.840 0.021 0.000 0.755 61 L CB -0.272 41.721 42.059 -0.112 0.000 0.904 61 L HN 0.040 nan 8.230 nan 0.000 0.435 62 M N -0.515 119.124 119.600 0.065 0.000 2.080 62 M HA -0.205 4.275 4.480 0.000 0.000 0.260 62 M C 2.413 178.809 176.300 0.159 0.000 1.068 62 M CA 1.807 57.199 55.300 0.153 0.000 1.109 62 M CB -1.046 31.723 32.600 0.283 0.000 1.342 62 M HN 0.224 nan 8.290 nan 0.000 0.405 63 R N -0.320 120.122 120.500 -0.097 0.000 2.115 63 R HA -0.092 4.248 4.340 0.000 0.000 0.230 63 R C 2.261 178.476 176.300 -0.142 0.000 1.111 63 R CA 1.910 57.763 56.100 -0.413 0.000 0.976 63 R CB -0.585 29.352 30.300 -0.606 0.000 0.870 63 R HN 0.572 nan 8.270 nan 0.000 0.445 64 T N -2.155 112.402 114.554 0.005 0.000 2.851 64 T HA -0.090 4.260 4.350 0.000 0.000 0.262 64 T C 1.498 176.235 174.700 0.060 0.000 1.043 64 T CA 1.074 63.196 62.100 0.036 0.000 1.140 64 T CB -0.308 68.603 68.868 0.072 0.000 0.872 64 T HN 0.260 nan 8.240 nan 0.000 0.446 65 H N 0.889 119.962 119.070 0.004 0.000 2.502 65 H HA 0.390 4.946 4.556 -0.000 0.000 0.283 65 H C 1.243 176.593 175.328 0.037 0.000 1.015 65 H CA 0.599 56.656 56.048 0.015 0.000 1.298 65 H CB -0.099 29.671 29.762 0.013 0.000 1.411 65 H HN 0.325 nan 8.280 nan 0.000 0.556 66 L N -0.532 120.817 121.223 0.211 0.000 3.202 66 L HA 0.404 4.744 4.340 0.000 0.000 0.278 66 L C 1.699 178.718 176.870 0.249 0.000 1.268 66 L CA -0.043 54.922 54.840 0.208 0.000 1.034 66 L CB 0.448 42.663 42.059 0.260 0.000 1.407 66 L HN 0.149 nan 8.230 nan 0.000 0.581 67 A N 0.413 123.308 122.820 0.124 0.000 1.978 67 A HA -0.205 4.115 4.320 0.000 0.000 0.220 67 A C 1.844 179.478 177.584 0.083 0.000 1.170 67 A CA 1.903 53.977 52.037 0.062 0.000 0.636 67 A CB -0.339 18.649 19.000 -0.020 0.000 0.810 67 A HN 0.461 nan 8.150 nan 0.000 0.448 68 N N 0.114 118.847 118.700 0.055 0.000 2.322 68 N HA 0.048 4.788 4.740 0.000 0.000 0.194 68 N C -0.485 175.033 175.510 0.013 0.000 1.126 68 N CA 0.092 53.156 53.050 0.024 0.000 0.845 68 N CB 0.120 38.603 38.487 -0.007 0.000 0.976 68 N HN 0.329 nan 8.380 nan 0.000 0.475 69 E N 0.582 120.807 120.200 0.041 0.000 2.313 69 E HA 0.079 4.429 4.350 0.000 0.000 0.276 69 E C -0.191 176.376 176.600 -0.055 0.000 1.031 69 E CA -0.035 56.343 56.400 -0.038 0.000 0.857 69 E CB 0.653 30.307 29.700 -0.077 0.000 1.040 69 E HN 0.281 nan 8.360 nan 0.000 0.408 70 Q N 1.657 121.389 119.800 -0.114 0.000 2.664 70 Q HA 0.220 4.560 4.340 0.000 0.000 0.223 70 Q C 0.003 175.904 176.000 -0.166 0.000 1.298 70 Q CA -0.271 55.463 55.803 -0.115 0.000 0.965 70 Q CB -0.018 28.640 28.738 -0.133 0.000 1.510 70 Q HN 0.299 nan 8.270 nan 0.000 0.567 71 V N -1.235 118.554 119.914 -0.210 0.000 3.078 71 V HA 0.465 4.585 4.120 0.000 0.000 0.311 71 V C -0.797 175.104 176.094 -0.322 0.000 1.138 71 V CA -1.328 60.766 62.300 -0.344 0.000 1.007 71 V CB 2.291 33.774 31.823 -0.566 0.000 1.045 71 V HN 0.565 nan 8.190 nan 0.000 0.432 72 N N 1.622 120.129 118.700 -0.322 0.000 2.420 72 N HA 0.283 5.023 4.740 0.000 0.000 0.249 72 N C -1.325 174.067 175.510 -0.197 0.000 1.033 72 N CA -0.562 52.367 53.050 -0.203 0.000 0.944 72 N CB 0.625 38.997 38.487 -0.191 0.000 1.113 72 N HN 0.764 nan 8.380 nan 0.000 0.502 73 W N 3.997 125.255 121.300 -0.070 0.000 2.485 73 W HA 0.237 4.897 4.660 0.000 0.000 0.315 73 W C -0.308 176.305 176.519 0.157 0.000 1.304 73 W CA -0.530 56.806 57.345 -0.016 0.000 1.345 73 W CB 0.608 30.006 29.460 -0.103 0.000 1.368 73 W HN 0.113 nan 8.180 nan 0.000 0.497 74 V N 6.680 126.836 119.914 0.404 0.000 2.304 74 V HA 0.167 4.287 4.120 0.000 0.000 0.278 74 V C -0.313 175.956 176.094 0.291 0.000 1.018 74 V CA -1.064 61.413 62.300 0.294 0.000 0.814 74 V CB 0.787 32.695 31.823 0.142 0.000 1.021 74 V HN 0.225 nan 8.190 nan 0.000 0.440 75 L N 4.764 126.064 121.223 0.128 0.000 2.313 75 L HA 0.361 4.701 4.340 0.000 0.000 0.282 75 L C 0.280 177.056 176.870 -0.156 0.000 1.092 75 L CA 0.596 55.253 54.840 -0.306 0.000 0.831 75 L CB 0.974 42.855 42.059 -0.297 0.000 1.159 75 L HN 0.769 nan 8.230 nan 0.000 0.442 76 Q N 2.706 122.405 119.800 -0.168 0.000 2.430 76 Q HA 0.160 4.500 4.340 0.000 0.000 0.245 76 Q C 0.781 176.734 176.000 -0.079 0.000 1.021 76 Q CA 0.142 55.919 55.803 -0.043 0.000 0.867 76 Q CB 0.914 29.675 28.738 0.040 0.000 1.210 76 Q HN 0.907 nan 8.270 nan 0.000 0.487 77 T N 0.526 115.048 114.554 -0.054 0.000 2.867 77 T HA -0.009 4.341 4.350 0.000 0.000 0.268 77 T C 0.269 174.922 174.700 -0.079 0.000 1.057 77 T CA 0.874 62.923 62.100 -0.085 0.000 1.136 77 T CB 0.190 69.025 68.868 -0.055 0.000 0.874 77 T HN 0.524 nan 8.240 nan 0.000 0.466 78 E N 0.659 120.841 120.200 -0.030 0.000 2.272 78 E HA 0.363 4.713 4.350 0.000 0.000 0.269 78 E C -1.303 175.265 176.600 -0.053 0.000 0.877 78 E CA -0.739 55.626 56.400 -0.058 0.000 0.755 78 E CB 1.733 31.383 29.700 -0.084 0.000 1.192 78 E HN 0.039 nan 8.360 nan 0.000 0.422 79 Q N 2.327 122.122 119.800 -0.009 0.000 2.835 79 Q HA 0.211 4.551 4.340 0.000 0.000 0.235 79 Q C 0.284 176.293 176.000 0.015 0.000 1.313 79 Q CA 0.180 56.014 55.803 0.052 0.000 1.053 79 Q CB 0.033 28.846 28.738 0.125 0.000 1.443 79 Q HN 0.465 nan 8.270 nan 0.000 0.576 80 L N -0.259 120.900 121.223 -0.107 0.000 2.611 80 L HA 0.420 4.760 4.340 0.000 0.000 0.229 80 L C 0.712 177.684 176.870 0.170 0.000 1.137 80 L CA -0.165 54.632 54.840 -0.071 0.000 0.901 80 L CB -0.095 41.752 42.059 -0.353 0.000 1.098 80 L HN 0.610 nan 8.230 nan 0.000 0.456 81 G N -0.772 108.153 108.800 0.208 0.000 2.334 81 G HA2 -0.127 3.833 3.960 0.000 0.000 0.566 81 G HA3 -0.127 3.833 3.960 0.000 0.000 0.566 81 G C 0.430 175.514 174.900 0.306 0.000 1.413 81 G CA -0.207 45.066 45.100 0.288 0.000 0.993 81 G HN 0.033 nan 8.290 nan 0.000 0.642 82 T N -1.522 113.214 114.554 0.303 0.000 2.833 82 T HA 0.123 4.473 4.350 0.000 0.000 0.269 82 T C 2.577 177.440 174.700 0.271 0.000 1.054 82 T CA 2.379 64.648 62.100 0.282 0.000 1.135 82 T CB -0.253 68.792 68.868 0.295 0.000 0.869 82 T HN 1.884 nan 8.240 nan 0.000 0.466 83 A N 1.531 124.535 122.820 0.308 0.000 1.898 83 A HA -0.131 4.189 4.320 0.000 0.000 0.216 83 A C 2.360 180.058 177.584 0.191 0.000 1.181 83 A CA 1.520 53.721 52.037 0.274 0.000 0.620 83 A CB -1.122 18.066 19.000 0.314 0.000 0.819 83 A HN 0.725 nan 8.150 nan 0.000 0.442 84 H N 0.247 119.379 119.070 0.104 0.000 2.353 84 H HA -0.075 4.481 4.556 -0.000 0.000 0.300 84 H C 2.249 177.579 175.328 0.003 0.000 1.090 84 H CA 1.683 57.717 56.048 -0.023 0.000 1.327 84 H CB -0.188 29.556 29.762 -0.030 0.000 1.383 84 H HN 0.401 nan 8.280 nan 0.000 0.508 85 A N 0.580 123.497 122.820 0.161 0.000 1.865 85 A HA -0.123 4.197 4.320 0.000 0.000 0.217 85 A C 2.879 180.464 177.584 0.002 0.000 1.191 85 A CA 1.860 53.952 52.037 0.092 0.000 0.623 85 A CB -0.998 18.088 19.000 0.143 0.000 0.826 85 A HN 0.303 nan 8.150 nan 0.000 0.444 86 V N 0.015 119.948 119.914 0.033 0.000 2.490 86 V HA -0.289 3.831 4.120 0.000 0.000 0.250 86 V C 2.671 178.711 176.094 -0.090 0.000 1.061 86 V CA 2.220 64.528 62.300 0.014 0.000 1.064 86 V CB -0.820 31.046 31.823 0.072 0.000 0.670 86 V HN 0.784 nan 8.190 nan 0.000 0.461 87 Q N -0.522 119.205 119.800 -0.122 0.000 2.226 87 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 87 Q C 2.274 178.094 176.000 -0.299 0.000 0.975 87 Q CA 1.197 56.868 55.803 -0.221 0.000 0.866 87 Q CB 0.007 28.614 28.738 -0.219 0.000 0.915 87 Q HN 0.581 nan 8.270 nan 0.000 0.440 88 Q N -0.484 119.155 119.800 -0.269 0.000 2.170 88 Q HA -0.106 4.234 4.340 0.000 0.000 0.203 88 Q C 1.696 177.607 176.000 -0.148 0.000 0.976 88 Q CA 1.478 57.159 55.803 -0.204 0.000 0.858 88 Q CB -0.215 28.442 28.738 -0.135 0.000 0.907 88 Q HN 0.487 nan 8.270 nan 0.000 0.433 89 A N 0.283 122.977 122.820 -0.211 0.000 2.147 89 A HA 0.302 4.622 4.320 0.000 0.000 0.211 89 A C 2.222 179.345 177.584 -0.769 0.000 1.160 89 A CA 0.875 52.749 52.037 -0.273 0.000 0.781 89 A CB -0.213 18.681 19.000 -0.178 0.000 0.842 89 A HN 0.280 nan 8.150 nan 0.000 0.475 90 A N 1.205 123.404 122.820 -1.035 0.000 1.940 90 A HA -0.066 4.254 4.320 0.000 0.000 0.219 90 A C 0.055 177.082 177.584 -0.928 0.000 1.176 90 A CA 1.886 52.998 52.037 -1.541 0.000 0.631 90 A CB -1.583 16.970 19.000 -0.745 0.000 0.814 90 A HN 0.433 nan 8.150 nan 0.000 0.446 91 P HA -0.122 nan 4.420 nan 0.000 0.221 91 P C 0.620 177.551 177.300 -0.615 0.000 1.145 91 P CA 0.932 63.675 63.100 -0.595 0.000 0.795 91 P CB -0.169 31.123 31.700 -0.681 0.000 0.775 92 F N -2.622 117.141 119.950 -0.312 0.000 2.743 92 F HA 0.163 4.690 4.527 -0.000 0.000 0.297 92 F C 1.138 177.003 175.800 0.108 0.000 1.131 92 F CA -0.294 57.640 58.000 -0.110 0.000 1.426 92 F CB -0.851 38.059 39.000 -0.149 0.000 1.116 92 F HN -0.195 nan 8.300 nan 0.000 0.583 93 F N 1.944 121.912 119.950 0.031 0.000 2.538 93 F HA 0.103 4.630 4.527 0.000 0.000 0.371 93 F C 0.884 176.711 175.800 0.045 0.000 1.087 93 F CA -0.759 57.270 58.000 0.047 0.000 1.250 93 F CB 0.304 39.305 39.000 0.003 0.000 1.110 93 F HN -0.240 nan 8.300 nan 0.000 0.570 94 K N 2.733 123.279 120.400 0.243 0.000 2.270 94 K HA 0.015 4.335 4.320 0.000 0.000 0.276 94 K C 0.354 177.024 176.600 0.116 0.000 1.023 94 K CA -0.601 55.769 56.287 0.139 0.000 0.955 94 K CB 0.834 33.395 32.500 0.102 0.000 0.975 94 K HN 0.520 nan 8.250 nan 0.000 0.471 95 D N 1.287 121.734 120.400 0.078 0.000 2.149 95 D HA -0.138 4.502 4.640 0.000 0.000 0.198 95 D C 0.505 176.827 176.300 0.037 0.000 0.990 95 D CA 1.427 55.458 54.000 0.053 0.000 0.839 95 D CB 0.153 40.966 40.800 0.022 0.000 0.948 95 D HN 0.417 nan 8.370 nan 0.000 0.460 96 N N 0.934 119.655 118.700 0.034 0.000 2.273 96 N HA 0.024 4.764 4.740 0.000 0.000 0.231 96 N C -0.169 175.355 175.510 0.023 0.000 1.134 96 N CA 0.010 53.072 53.050 0.021 0.000 0.856 96 N CB 0.835 39.330 38.487 0.015 0.000 1.068 96 N HN 0.498 nan 8.380 nan 0.000 0.510 97 E N -0.087 120.131 120.200 0.030 0.000 2.222 97 E HA 0.301 4.651 4.350 0.000 0.000 0.272 97 E C -0.597 176.009 176.600 0.009 0.000 0.982 97 E CA -0.756 55.655 56.400 0.017 0.000 0.842 97 E CB 1.065 30.777 29.700 0.020 0.000 1.144 97 E HN -0.167 nan 8.360 nan 0.000 0.397 98 N N 1.925 120.627 118.700 0.002 0.000 2.525 98 N HA 0.223 4.963 4.740 0.000 0.000 0.271 98 N C -0.610 174.876 175.510 -0.040 0.000 1.194 98 N CA -0.076 52.980 53.050 0.010 0.000 0.964 98 N CB 0.678 39.175 38.487 0.017 0.000 1.126 98 N HN 0.457 nan 8.380 nan 0.000 0.452 99 I N 1.674 122.225 120.570 -0.031 0.000 2.418 99 I HA 0.229 4.399 4.170 0.000 0.000 0.287 99 I C -0.194 175.905 176.117 -0.029 0.000 1.008 99 I CA -0.763 60.419 61.300 -0.197 0.000 1.104 99 I CB 1.575 39.176 38.000 -0.665 0.000 1.264 99 I HN 0.051 nan 8.210 nan 0.000 0.438 100 V N 8.094 127.969 119.914 -0.065 0.000 2.427 100 V HA 0.474 4.594 4.120 0.000 0.000 0.286 100 V C -0.355 175.708 176.094 -0.052 0.000 1.034 100 V CA -0.369 61.930 62.300 -0.002 0.000 0.893 100 V CB 2.013 33.838 31.823 0.004 0.000 0.982 100 V HN 0.419 nan 8.190 nan 0.000 0.452 101 V N 8.467 128.379 119.914 -0.002 0.000 2.383 101 V HA 0.496 4.616 4.120 0.000 0.000 0.275 101 V C 0.106 176.118 176.094 -0.136 0.000 1.036 101 V CA -0.236 62.010 62.300 -0.090 0.000 0.889 101 V CB 1.033 32.851 31.823 -0.008 0.000 0.985 101 V HN 0.739 nan 8.190 nan 0.000 0.459 102 L N 4.592 125.647 121.223 -0.279 0.000 2.283 102 L HA 0.693 5.033 4.340 0.000 0.000 0.259 102 L C -1.414 175.136 176.870 -0.534 0.000 1.027 102 L CA -0.920 53.790 54.840 -0.217 0.000 0.828 102 L CB 2.373 44.395 42.059 -0.061 0.000 1.380 102 L HN 0.472 nan 8.230 nan 0.000 0.425 103 Y N -1.356 118.966 120.300 0.036 0.000 2.406 103 Y HA 0.342 4.892 4.550 -0.000 0.000 0.340 103 Y C 0.946 176.865 175.900 0.033 0.000 0.975 103 Y CA -0.760 57.364 58.100 0.040 0.000 1.056 103 Y CB 1.985 40.472 38.460 0.045 0.000 1.210 103 Y HN 0.648 nan 8.280 nan 0.000 0.448 104 G N 0.582 109.467 108.800 0.142 0.000 2.559 104 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 104 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 104 G C 0.700 175.666 174.900 0.109 0.000 1.126 104 G CA 0.991 46.149 45.100 0.097 0.000 0.778 104 G HN 0.759 nan 8.290 nan 0.000 0.543 105 D N -0.308 120.174 120.400 0.137 0.000 2.340 105 D HA 0.366 5.006 4.640 0.000 0.000 0.217 105 D C 0.914 177.257 176.300 0.071 0.000 1.081 105 D CA 0.104 54.163 54.000 0.097 0.000 0.842 105 D CB 0.133 40.985 40.800 0.086 0.000 0.934 105 D HN 0.144 nan 8.370 nan 0.000 0.511 106 A N 1.760 124.637 122.820 0.094 0.000 2.978 106 A HA 0.438 4.758 4.320 0.000 0.000 0.341 106 A C -1.897 175.715 177.584 0.046 0.000 1.105 106 A CA -1.006 51.065 52.037 0.056 0.000 0.819 106 A CB 1.086 20.131 19.000 0.075 0.000 1.080 106 A HN -0.005 nan 8.150 nan 0.000 0.476 107 P HA 0.019 nan 4.420 nan 0.000 0.240 107 P C 0.817 178.091 177.300 -0.044 0.000 1.190 107 P CA 0.482 63.568 63.100 -0.023 0.000 0.781 107 P CB 0.268 31.891 31.700 -0.127 0.000 0.931 108 L N -1.054 120.157 121.223 -0.021 0.000 2.592 108 L HA 0.192 4.532 4.340 0.000 0.000 0.227 108 L C 1.208 178.134 176.870 0.094 0.000 1.127 108 L CA -0.679 54.195 54.840 0.057 0.000 0.884 108 L CB -0.355 41.740 42.059 0.061 0.000 1.065 108 L HN -0.096 nan 8.230 nan 0.000 0.457 109 I N 1.802 122.411 120.570 0.064 0.000 2.741 109 I HA -0.064 4.106 4.170 0.000 0.000 0.288 109 I C 0.988 177.159 176.117 0.091 0.000 1.192 109 I CA 0.363 61.705 61.300 0.070 0.000 1.426 109 I CB 0.642 38.681 38.000 0.066 0.000 1.367 109 I HN 0.137 nan 8.210 nan 0.000 0.563 110 T N 3.523 118.131 114.554 0.089 0.000 2.928 110 T HA 0.283 4.633 4.350 0.000 0.000 0.284 110 T C 1.025 175.765 174.700 0.068 0.000 1.008 110 T CA -0.641 61.514 62.100 0.092 0.000 1.057 110 T CB 1.317 70.241 68.868 0.094 0.000 1.018 110 T HN 0.738 nan 8.240 nan 0.000 0.493 111 K N 0.614 121.052 120.400 0.063 0.000 2.074 111 K HA -0.234 4.086 4.320 0.000 0.000 0.209 111 K C 1.737 178.358 176.600 0.035 0.000 1.048 111 K CA 1.990 58.303 56.287 0.043 0.000 0.926 111 K CB -0.150 32.373 32.500 0.038 0.000 0.713 111 K HN 0.714 nan 8.250 nan 0.000 0.444 112 E N -0.263 119.960 120.200 0.038 0.000 2.047 112 E HA -0.106 4.244 4.350 0.000 0.000 0.191 112 E C 1.992 178.610 176.600 0.029 0.000 0.987 112 E CA 1.773 58.191 56.400 0.030 0.000 0.799 112 E CB -0.325 29.394 29.700 0.031 0.000 0.752 112 E HN 0.270 nan 8.360 nan 0.000 0.449 113 T N 0.835 115.410 114.554 0.036 0.000 2.746 113 T HA -0.089 4.261 4.350 0.000 0.000 0.267 113 T C 1.786 176.505 174.700 0.031 0.000 1.039 113 T CA 0.901 63.020 62.100 0.033 0.000 1.142 113 T CB -0.220 68.670 68.868 0.037 0.000 0.866 113 T HN 0.061 nan 8.240 nan 0.000 0.444 114 L N 0.488 121.731 121.223 0.034 0.000 2.141 114 L HA -0.033 4.307 4.340 0.000 0.000 0.209 114 L C 2.644 179.529 176.870 0.024 0.000 1.094 114 L CA 1.202 56.061 54.840 0.032 0.000 0.763 114 L CB -0.495 41.584 42.059 0.033 0.000 0.908 114 L HN 0.318 nan 8.230 nan 0.000 0.437 115 E N 0.199 120.411 120.200 0.020 0.000 2.106 115 E HA -0.252 4.098 4.350 0.000 0.000 0.192 115 E C 2.127 178.736 176.600 0.015 0.000 0.984 115 E CA 0.965 57.373 56.400 0.014 0.000 0.806 115 E CB 0.023 29.730 29.700 0.011 0.000 0.750 115 E HN 0.320 nan 8.360 nan 0.000 0.458 116 K N 0.876 121.286 120.400 0.017 0.000 2.097 116 K HA -0.172 4.148 4.320 0.000 0.000 0.205 116 K C 2.218 178.828 176.600 0.018 0.000 1.050 116 K CA 0.728 57.024 56.287 0.016 0.000 0.938 116 K CB -0.033 32.477 32.500 0.016 0.000 0.718 116 K HN 0.035 nan 8.250 nan 0.000 0.442 117 L N 1.533 122.769 121.223 0.022 0.000 2.056 117 L HA -0.099 4.241 4.340 0.000 0.000 0.207 117 L C 1.982 178.868 176.870 0.027 0.000 1.078 117 L CA 1.493 56.348 54.840 0.026 0.000 0.749 117 L CB -0.231 41.848 42.059 0.034 0.000 0.901 117 L HN 0.211 nan 8.230 nan 0.000 0.433 118 I N -0.649 119.936 120.570 0.025 0.000 2.252 118 I HA -0.275 3.895 4.170 0.000 0.000 0.245 118 I C 2.478 178.607 176.117 0.020 0.000 1.102 118 I CA 1.453 62.767 61.300 0.024 0.000 1.385 118 I CB -0.298 37.712 38.000 0.018 0.000 1.064 118 I HN 0.387 nan 8.210 nan 0.000 0.414 119 E N 0.883 121.093 120.200 0.016 0.000 2.204 119 E HA -0.197 4.153 4.350 0.000 0.000 0.195 119 E C 2.091 178.700 176.600 0.014 0.000 0.990 119 E CA 1.053 57.461 56.400 0.013 0.000 0.821 119 E CB 0.038 29.744 29.700 0.011 0.000 0.750 119 E HN 0.507 nan 8.360 nan 0.000 0.477 120 A N 0.796 123.625 122.820 0.016 0.000 2.208 120 A HA -0.007 4.313 4.320 0.000 0.000 0.209 120 A C 1.066 178.661 177.584 0.017 0.000 1.161 120 A CA -0.048 51.998 52.037 0.015 0.000 0.782 120 A CB -0.046 18.962 19.000 0.014 0.000 0.816 120 A HN -0.022 nan 8.150 nan 0.000 0.477 121 K N 1.970 122.383 120.400 0.022 0.000 2.379 121 K HA 0.195 4.515 4.320 0.000 0.000 0.284 121 K C -2.553 174.062 176.600 0.025 0.000 1.044 121 K CA -1.470 54.833 56.287 0.027 0.000 0.974 121 K CB 0.576 33.096 32.500 0.033 0.000 0.962 121 K HN 0.139 nan 8.250 nan 0.000 0.474 122 P HA 0.099 nan 4.420 nan 0.000 0.281 122 P C -0.837 176.483 177.300 0.035 0.000 1.249 122 P CA -0.396 62.721 63.100 0.028 0.000 0.810 122 P CB 0.708 32.425 31.700 0.028 0.000 1.008 123 E N 1.985 122.202 120.200 0.028 0.000 2.529 123 E HA -0.104 4.246 4.350 0.000 0.000 0.259 123 E C 0.238 176.861 176.600 0.038 0.000 0.966 123 E CA 0.224 56.640 56.400 0.026 0.000 0.937 123 E CB -0.253 29.458 29.700 0.018 0.000 0.923 123 E HN 0.347 nan 8.360 nan 0.000 0.468 124 N N 1.565 120.284 118.700 0.031 0.000 2.778 124 N HA -0.183 4.557 4.740 0.000 0.000 0.249 124 N C -0.131 175.465 175.510 0.144 0.000 1.069 124 N CA 1.145 54.217 53.050 0.038 0.000 0.831 124 N CB -1.220 37.282 38.487 0.026 0.000 1.142 124 N HN 0.597 nan 8.380 nan 0.000 0.573 125 G N -0.550 108.335 108.800 0.140 0.000 3.107 125 G HA2 0.839 4.799 3.960 0.000 0.000 0.232 125 G HA3 0.839 4.799 3.960 0.000 0.000 0.232 125 G C -0.493 174.497 174.900 0.149 0.000 1.339 125 G CA -0.579 44.630 45.100 0.182 0.000 1.033 125 G HN 0.103 nan 8.290 nan 0.000 0.567 126 I N 0.176 120.786 120.570 0.067 0.000 2.647 126 I HA 0.586 4.756 4.170 0.000 0.000 0.295 126 I C -0.116 176.009 176.117 0.013 0.000 1.078 126 I CA -0.955 60.358 61.300 0.023 0.000 1.048 126 I CB 2.406 40.376 38.000 -0.050 0.000 1.239 126 I HN 0.569 nan 8.210 nan 0.000 0.421 127 A N 6.939 129.775 122.820 0.025 0.000 2.330 127 A HA 0.928 5.248 4.320 0.000 0.000 0.327 127 A C -0.824 176.780 177.584 0.033 0.000 1.155 127 A CA -0.488 51.564 52.037 0.024 0.000 0.803 127 A CB 1.101 20.119 19.000 0.030 0.000 1.208 127 A HN 0.716 nan 8.150 nan 0.000 0.477 128 L N 0.239 121.477 121.223 0.024 0.000 2.371 128 L HA 0.782 5.122 4.340 0.000 0.000 0.262 128 L C -1.178 175.707 176.870 0.025 0.000 1.006 128 L CA -0.890 53.972 54.840 0.035 0.000 0.818 128 L CB 1.712 43.788 42.059 0.028 0.000 1.354 128 L HN 0.541 nan 8.230 nan 0.000 0.415 129 L N 2.414 123.655 121.223 0.031 0.000 2.276 129 L HA 0.573 4.913 4.340 0.000 0.000 0.286 129 L C 0.174 177.039 176.870 -0.008 0.000 1.061 129 L CA -0.076 54.772 54.840 0.013 0.000 0.807 129 L CB 1.717 43.789 42.059 0.022 0.000 1.177 129 L HN 1.002 nan 8.230 nan 0.000 0.429 130 T N 1.065 115.606 114.554 -0.023 0.000 2.926 130 T HA 0.733 5.083 4.350 0.000 0.000 0.289 130 T C -0.723 173.941 174.700 -0.061 0.000 1.054 130 T CA -0.809 61.264 62.100 -0.044 0.000 1.015 130 T CB 2.348 71.194 68.868 -0.035 0.000 1.167 130 T HN 0.317 nan 8.240 nan 0.000 0.526 131 V N 0.851 120.713 119.914 -0.086 0.000 2.969 131 V HA 0.467 4.587 4.120 0.000 0.000 0.304 131 V C -1.746 174.289 176.094 -0.098 0.000 1.192 131 V CA -1.022 61.220 62.300 -0.097 0.000 0.962 131 V CB 2.338 34.081 31.823 -0.134 0.000 1.045 131 V HN 1.017 nan 8.190 nan 0.000 0.428 132 N N 5.849 124.505 118.700 -0.074 0.000 2.434 132 N HA 0.582 5.322 4.740 0.000 0.000 0.272 132 N C -0.998 174.471 175.510 -0.069 0.000 1.040 132 N CA -0.070 52.944 53.050 -0.060 0.000 0.956 132 N CB 1.658 40.122 38.487 -0.039 0.000 1.108 132 N HN 0.574 nan 8.380 nan 0.000 0.481 133 L N 1.216 122.400 121.223 -0.065 0.000 2.362 133 L HA 0.342 4.682 4.340 0.000 0.000 0.271 133 L C 1.077 177.935 176.870 -0.020 0.000 1.002 133 L CA -0.823 53.984 54.840 -0.056 0.000 0.818 133 L CB 1.944 43.955 42.059 -0.079 0.000 1.298 133 L HN 0.325 nan 8.230 nan 0.000 0.420 134 D N 0.566 120.959 120.400 -0.011 0.000 2.117 134 D HA -0.114 4.526 4.640 0.000 0.000 0.197 134 D C 0.498 176.806 176.300 0.012 0.000 0.987 134 D CA 1.678 55.678 54.000 0.000 0.000 0.829 134 D CB 0.219 41.020 40.800 0.001 0.000 0.961 134 D HN 0.341 nan 8.370 nan 0.000 0.460 135 N N 0.551 119.266 118.700 0.024 0.000 2.626 135 N HA 0.116 4.856 4.740 0.000 0.000 0.242 135 N C -2.285 173.280 175.510 0.091 0.000 1.005 135 N CA -1.674 51.403 53.050 0.045 0.000 0.905 135 N CB 1.612 40.124 38.487 0.042 0.000 1.128 135 N HN -0.112 nan 8.380 nan 0.000 0.512 136 P HA 0.102 nan 4.420 nan 0.000 0.257 136 P C -0.352 177.073 177.300 0.209 0.000 1.325 136 P CA -0.078 63.129 63.100 0.179 0.000 0.850 136 P CB -0.139 31.613 31.700 0.088 0.000 1.324 137 T N 0.535 115.146 114.554 0.096 0.000 2.902 137 T HA 0.328 4.678 4.350 0.000 0.000 0.301 137 T C 1.520 176.122 174.700 -0.163 0.000 1.012 137 T CA 1.434 63.528 62.100 -0.011 0.000 1.151 137 T CB 0.196 69.050 68.868 -0.023 0.000 0.946 137 T HN 0.362 nan 8.240 nan 0.000 0.542 138 G N 2.326 110.993 108.800 -0.221 0.000 2.254 138 G HA2 -0.214 3.746 3.960 0.000 0.000 0.225 138 G HA3 -0.214 3.746 3.960 0.000 0.000 0.225 138 G C -0.109 174.516 174.900 -0.458 0.000 1.003 138 G CA -0.425 44.428 45.100 -0.411 0.000 0.622 138 G HN 0.697 nan 8.290 nan 0.000 0.507 139 Y N 1.084 121.344 120.300 -0.068 0.000 2.419 139 Y HA 0.557 5.107 4.550 0.000 0.000 0.328 139 Y C 1.294 177.143 175.900 -0.085 0.000 1.162 139 Y CA -0.376 57.674 58.100 -0.083 0.000 1.174 139 Y CB 1.321 39.737 38.460 -0.074 0.000 1.228 139 Y HN 0.299 nan 8.280 nan 0.000 0.473 140 G N 2.980 111.817 108.800 0.062 0.000 2.313 140 G HA2 0.183 4.143 3.960 0.000 0.000 0.250 140 G HA3 0.183 4.143 3.960 0.000 0.000 0.250 140 G C -0.236 174.672 174.900 0.013 0.000 1.281 140 G CA -0.741 44.353 45.100 -0.011 0.000 0.917 140 G HN 0.366 nan 8.290 nan 0.000 0.501 141 R N 1.817 122.317 120.500 0.000 0.000 2.357 141 R HA 0.203 4.543 4.340 0.000 0.000 0.296 141 R C 0.185 176.480 176.300 -0.009 0.000 1.052 141 R CA -0.941 55.160 56.100 0.001 0.000 0.988 141 R CB 1.201 31.502 30.300 0.002 0.000 1.025 141 R HN 0.295 nan 8.270 nan 0.000 0.469 142 I N 4.877 125.440 120.570 -0.012 0.000 2.396 142 I HA 0.146 4.316 4.170 0.000 0.000 0.289 142 I C 0.608 176.717 176.117 -0.014 0.000 1.056 142 I CA -0.474 60.816 61.300 -0.016 0.000 1.365 142 I CB 0.301 38.289 38.000 -0.020 0.000 1.407 142 I HN 0.276 nan 8.210 nan 0.000 0.509 143 I N 7.386 127.947 120.570 -0.016 0.000 2.304 143 I HA 0.339 4.509 4.170 0.000 0.000 0.291 143 I C 0.483 176.590 176.117 -0.017 0.000 1.018 143 I CA -0.414 60.878 61.300 -0.014 0.000 1.260 143 I CB 0.550 38.542 38.000 -0.013 0.000 1.390 143 I HN 0.432 nan 8.210 nan 0.000 0.475 144 R N 4.999 125.490 120.500 -0.014 0.000 2.494 144 R HA 0.514 4.854 4.340 0.000 0.000 0.305 144 R C -0.605 175.688 176.300 -0.012 0.000 0.959 144 R CA -0.653 55.438 56.100 -0.014 0.000 0.864 144 R CB 2.247 32.539 30.300 -0.013 0.000 1.159 144 R HN 0.540 nan 8.270 nan 0.000 0.446 145 E N 1.932 122.124 120.200 -0.013 0.000 2.165 145 E HA 0.173 4.523 4.350 0.000 0.000 0.266 145 E C -0.760 175.834 176.600 -0.009 0.000 0.889 145 E CA -0.569 55.825 56.400 -0.010 0.000 0.756 145 E CB 1.436 31.129 29.700 -0.011 0.000 1.131 145 E HN 0.585 nan 8.360 nan 0.000 0.411 146 N N 2.311 121.007 118.700 -0.007 0.000 2.740 146 N HA -0.284 4.456 4.740 0.000 0.000 0.248 146 N C 0.709 176.215 175.510 -0.007 0.000 1.062 146 N CA 0.351 53.398 53.050 -0.006 0.000 0.704 146 N CB -0.748 37.736 38.487 -0.005 0.000 0.968 146 N HN 0.969 nan 8.380 nan 0.000 0.547 147 G N -1.440 107.356 108.800 -0.007 0.000 2.304 147 G HA2 -0.347 3.613 3.960 0.000 0.000 0.252 147 G HA3 -0.347 3.613 3.960 0.000 0.000 0.252 147 G C -0.056 174.838 174.900 -0.010 0.000 1.014 147 G CA 0.388 45.483 45.100 -0.008 0.000 0.619 147 G HN 0.494 nan 8.290 nan 0.000 0.525 148 N N 0.511 119.205 118.700 -0.011 0.000 2.473 148 N HA 0.468 5.208 4.740 0.000 0.000 0.291 148 N C 0.128 175.626 175.510 -0.019 0.000 1.083 148 N CA -0.270 52.771 53.050 -0.014 0.000 0.951 148 N CB 2.246 40.725 38.487 -0.013 0.000 1.164 148 N HN 0.095 nan 8.380 nan 0.000 0.480 149 V N 1.953 121.853 119.914 -0.023 0.000 2.521 149 V HA 0.027 4.147 4.120 0.000 0.000 0.286 149 V C 1.500 177.571 176.094 -0.039 0.000 1.034 149 V CA -0.067 62.216 62.300 -0.029 0.000 1.045 149 V CB 0.916 32.720 31.823 -0.031 0.000 0.974 149 V HN 0.660 nan 8.190 nan 0.000 0.480 150 V N 1.555 121.445 119.914 -0.039 0.000 3.562 150 V HA 0.845 4.965 4.120 0.000 0.000 0.270 150 V C 0.426 176.487 176.094 -0.054 0.000 1.418 150 V CA 0.633 62.905 62.300 -0.048 0.000 1.033 150 V CB 0.155 31.957 31.823 -0.035 0.000 0.820 150 V HN 1.040 nan 8.190 nan 0.000 0.441 151 A N -0.056 122.738 122.820 -0.043 0.000 2.586 151 A HA 0.823 5.143 4.320 0.000 0.000 0.291 151 A C -1.606 175.962 177.584 -0.027 0.000 1.062 151 A CA -0.555 51.459 52.037 -0.038 0.000 0.666 151 A CB 1.219 20.204 19.000 -0.024 0.000 1.281 151 A HN 0.282 nan 8.150 nan 0.000 0.421 152 I N 0.691 121.250 120.570 -0.019 0.000 2.465 152 I HA 0.545 4.715 4.170 0.000 0.000 0.291 152 I C -0.961 175.151 176.117 -0.010 0.000 1.014 152 I CA -1.040 60.250 61.300 -0.017 0.000 1.093 152 I CB 2.101 40.088 38.000 -0.021 0.000 1.267 152 I HN 0.326 nan 8.210 nan 0.000 0.431 153 V N 5.423 125.329 119.914 -0.014 0.000 2.409 153 V HA 0.308 4.428 4.120 0.000 0.000 0.291 153 V C 0.097 176.168 176.094 -0.037 0.000 1.020 153 V CA -0.842 61.454 62.300 -0.007 0.000 0.848 153 V CB 1.573 33.399 31.823 0.006 0.000 0.990 153 V HN 0.598 nan 8.190 nan 0.000 0.430 154 E N 2.422 122.576 120.200 -0.077 0.000 2.408 154 E HA 0.028 4.378 4.350 0.000 0.000 0.259 154 E C 0.932 177.496 176.600 -0.059 0.000 1.110 154 E CA -0.074 56.246 56.400 -0.134 0.000 0.929 154 E CB 0.981 30.498 29.700 -0.306 0.000 0.971 154 E HN 0.721 nan 8.360 nan 0.000 0.438 155 Q N 2.599 122.359 119.800 -0.068 0.000 2.077 155 Q HA -0.223 4.117 4.340 0.000 0.000 0.206 155 Q C 1.304 177.289 176.000 -0.024 0.000 0.989 155 Q CA 2.122 57.898 55.803 -0.046 0.000 0.853 155 Q CB 0.047 28.741 28.738 -0.074 0.000 0.907 155 Q HN 0.371 nan 8.270 nan 0.000 0.418 156 K N -0.315 120.076 120.400 -0.016 0.000 2.365 156 K HA -0.053 4.267 4.320 0.000 0.000 0.199 156 K C 0.703 177.322 176.600 0.032 0.000 1.045 156 K CA 1.021 57.314 56.287 0.011 0.000 0.962 156 K CB 0.264 32.781 32.500 0.028 0.000 0.759 156 K HN 0.374 nan 8.250 nan 0.000 0.469 157 D N 0.167 120.593 120.400 0.044 0.000 2.379 157 D HA 0.060 4.700 4.640 0.000 0.000 0.208 157 D C 0.036 176.354 176.300 0.030 0.000 1.065 157 D CA 0.112 54.145 54.000 0.055 0.000 0.848 157 D CB 0.631 41.496 40.800 0.108 0.000 0.949 157 D HN 0.077 nan 8.370 nan 0.000 0.509 158 A N 1.685 124.514 122.820 0.015 0.000 2.327 158 A HA 0.360 4.680 4.320 0.000 0.000 0.283 158 A C 0.441 178.029 177.584 0.006 0.000 1.127 158 A CA -0.620 51.422 52.037 0.008 0.000 0.810 158 A CB 0.429 19.429 19.000 0.001 0.000 1.066 158 A HN 0.125 nan 8.150 nan 0.000 0.492 159 N N 1.341 120.044 118.700 0.005 0.000 2.347 159 N HA 0.421 5.161 4.740 0.000 0.000 0.253 159 N C 0.995 176.505 175.510 0.001 0.000 1.274 159 N CA 0.092 53.144 53.050 0.003 0.000 0.941 159 N CB 0.453 38.942 38.487 0.003 0.000 1.200 159 N HN 0.542 nan 8.380 nan 0.000 0.514 160 A N -0.565 122.255 122.820 0.001 0.000 1.940 160 A HA -0.257 4.063 4.320 0.000 0.000 0.219 160 A C 2.015 179.599 177.584 0.000 0.000 1.176 160 A CA 1.890 53.927 52.037 0.000 0.000 0.631 160 A CB -1.129 17.871 19.000 -0.000 0.000 0.814 160 A HN 0.914 nan 8.150 nan 0.000 0.446 161 E N -0.460 119.741 120.200 0.000 0.000 2.072 161 E HA -0.233 4.117 4.350 0.000 0.000 0.191 161 E C 2.127 178.727 176.600 0.000 0.000 0.985 161 E CA 1.246 57.646 56.400 0.000 0.000 0.801 161 E CB -0.172 29.528 29.700 -0.000 0.000 0.750 161 E HN 0.759 nan 8.360 nan 0.000 0.452 162 Q N 0.142 119.942 119.800 0.001 0.000 2.167 162 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 162 Q C 2.313 178.314 176.000 0.002 0.000 0.970 162 Q CA 1.032 56.835 55.803 0.001 0.000 0.855 162 Q CB 0.002 28.740 28.738 0.001 0.000 0.911 162 Q HN 0.368 nan 8.270 nan 0.000 0.438 163 L N 0.798 122.023 121.223 0.002 0.000 2.265 163 L HA -0.165 4.175 4.340 0.000 0.000 0.215 163 L C 1.572 178.445 176.870 0.006 0.000 1.117 163 L CA 0.450 55.292 54.840 0.003 0.000 0.782 163 L CB -0.334 41.726 42.059 0.000 0.000 0.914 163 L HN 0.266 nan 8.230 nan 0.000 0.441 164 N N 0.291 118.993 118.700 0.004 0.000 2.457 164 N HA 0.046 4.786 4.740 0.000 0.000 0.180 164 N C 0.716 176.228 175.510 0.003 0.000 1.050 164 N CA 0.446 53.498 53.050 0.003 0.000 0.906 164 N CB -0.022 38.466 38.487 0.002 0.000 0.968 164 N HN 0.263 nan 8.380 nan 0.000 0.445 165 I N 1.628 122.199 120.570 0.003 0.000 2.741 165 I HA -0.124 4.046 4.170 0.000 0.000 0.288 165 I C 1.443 177.561 176.117 0.003 0.000 1.192 165 I CA 0.567 61.867 61.300 0.001 0.000 1.426 165 I CB 0.655 38.654 38.000 -0.001 0.000 1.367 165 I HN -0.080 nan 8.210 nan 0.000 0.563 166 K N 4.370 124.768 120.400 -0.003 0.000 2.352 166 K HA 0.072 4.392 4.320 0.000 0.000 0.194 166 K C 0.501 177.089 176.600 -0.020 0.000 1.038 166 K CA 0.099 56.382 56.287 -0.006 0.000 1.023 166 K CB 0.247 32.742 32.500 -0.009 0.000 0.840 166 K HN 0.563 nan 8.250 nan 0.000 0.519 167 E N 2.286 122.474 120.200 -0.021 0.000 2.257 167 E HA 0.112 4.462 4.350 0.000 0.000 0.278 167 E C -0.790 175.790 176.600 -0.033 0.000 1.049 167 E CA -0.405 55.976 56.400 -0.032 0.000 0.876 167 E CB 0.803 30.488 29.700 -0.026 0.000 1.035 167 E HN -0.056 nan 8.360 nan 0.000 0.419 168 V N 1.661 121.540 119.914 -0.058 0.000 3.074 168 V HA 0.467 4.587 4.120 0.000 0.000 0.314 168 V C -0.393 175.657 176.094 -0.073 0.000 1.117 168 V CA -1.166 61.102 62.300 -0.054 0.000 1.014 168 V CB 1.807 33.591 31.823 -0.065 0.000 1.057 168 V HN 0.750 nan 8.190 nan 0.000 0.438 169 N N 0.868 119.542 118.700 -0.044 0.000 2.488 169 N HA 0.162 4.902 4.740 0.000 0.000 0.274 169 N C 1.054 176.520 175.510 -0.074 0.000 1.111 169 N CA 0.327 53.354 53.050 -0.039 0.000 0.974 169 N CB 1.707 40.186 38.487 -0.014 0.000 1.089 169 N HN 1.047 nan 8.380 nan 0.000 0.465 170 T N 0.558 115.068 114.554 -0.073 0.000 3.088 170 T HA 0.211 4.561 4.350 0.000 0.000 0.259 170 T C 1.360 175.999 174.700 -0.102 0.000 1.122 170 T CA 0.672 62.713 62.100 -0.099 0.000 1.095 170 T CB 0.004 68.835 68.868 -0.063 0.000 0.930 170 T HN 0.774 nan 8.240 nan 0.000 0.508 171 G N 0.530 109.313 108.800 -0.029 0.000 2.234 171 G HA2 -0.227 3.733 3.960 0.000 0.000 0.235 171 G HA3 -0.227 3.733 3.960 0.000 0.000 0.235 171 G C 0.068 175.185 174.900 0.362 0.000 0.997 171 G CA -0.098 45.031 45.100 0.049 0.000 0.623 171 G HN 0.697 nan 8.290 nan 0.000 0.514 172 V N 2.729 122.801 119.914 0.262 0.000 2.461 172 V HA 0.739 4.859 4.120 0.000 0.000 0.275 172 V C 0.580 176.777 176.094 0.171 0.000 1.047 172 V CA 0.907 63.361 62.300 0.256 0.000 0.955 172 V CB 1.009 32.939 31.823 0.177 0.000 0.988 172 V HN 0.735 nan 8.190 nan 0.000 0.471 173 M N 4.616 124.324 119.600 0.180 0.000 2.622 173 M HA 0.904 5.384 4.480 0.000 0.000 0.276 173 M C -1.898 174.515 176.300 0.188 0.000 1.265 173 M CA -0.810 54.587 55.300 0.161 0.000 0.850 173 M CB 2.571 35.275 32.600 0.174 0.000 1.720 173 M HN 0.148 nan 8.290 nan 0.000 0.465 174 V N 0.679 120.684 119.914 0.152 0.000 2.686 174 V HA 0.868 4.988 4.120 0.000 0.000 0.306 174 V C -0.802 175.365 176.094 0.122 0.000 1.065 174 V CA -0.286 62.112 62.300 0.164 0.000 0.894 174 V CB 1.774 33.653 31.823 0.094 0.000 1.004 174 V HN 0.977 nan 8.190 nan 0.000 0.424 175 S N 1.781 117.587 115.700 0.176 0.000 2.625 175 S HA 0.450 4.920 4.470 0.000 0.000 0.271 175 S C -1.770 172.903 174.600 0.123 0.000 1.161 175 S CA -0.751 57.461 58.200 0.019 0.000 0.820 175 S CB 1.773 64.786 63.200 -0.312 0.000 1.137 175 S HN 1.009 nan 8.310 nan 0.000 0.470 176 D N 0.655 121.082 120.400 0.045 0.000 2.344 176 D HA 0.213 4.853 4.640 0.000 0.000 0.244 176 D C 1.344 177.728 176.300 0.140 0.000 1.134 176 D CA 0.018 54.056 54.000 0.062 0.000 0.930 176 D CB 0.898 41.702 40.800 0.006 0.000 1.175 176 D HN 0.609 nan 8.370 nan 0.000 0.437 177 G N 0.801 109.677 108.800 0.127 0.000 2.440 177 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 177 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 177 G C 1.533 176.568 174.900 0.225 0.000 1.154 177 G CA 1.281 46.516 45.100 0.224 0.000 0.767 177 G HN 0.665 nan 8.290 nan 0.000 0.552 178 A N 0.742 123.605 122.820 0.071 0.000 1.902 178 A HA 0.021 4.341 4.320 0.000 0.000 0.217 178 A C 2.715 180.213 177.584 -0.143 0.000 1.181 178 A CA 2.256 54.282 52.037 -0.020 0.000 0.623 178 A CB -0.600 18.365 19.000 -0.059 0.000 0.818 178 A HN 0.314 nan 8.150 nan 0.000 0.443 179 S N -0.869 114.670 115.700 -0.268 0.000 2.368 179 S HA -0.084 4.386 4.470 0.000 0.000 0.224 179 S C 1.610 175.882 174.600 -0.547 0.000 1.029 179 S CA 1.286 59.045 58.200 -0.736 0.000 0.988 179 S CB -0.516 62.148 63.200 -0.894 0.000 0.838 179 S HN 0.497 nan 8.310 nan 0.000 0.462 180 F N 2.048 121.949 119.950 -0.081 0.000 2.069 180 F HA -0.128 4.399 4.527 0.000 0.000 0.298 180 F C 2.267 178.134 175.800 0.111 0.000 1.113 180 F CA 1.336 59.430 58.000 0.158 0.000 1.214 180 F CB -0.451 38.738 39.000 0.314 0.000 0.978 180 F HN 0.093 nan 8.300 nan 0.000 0.474 181 K N 0.058 120.613 120.400 0.259 0.000 2.032 181 K HA -0.262 4.058 4.320 0.000 0.000 0.209 181 K C 2.104 178.720 176.600 0.027 0.000 1.048 181 K CA 1.873 58.218 56.287 0.097 0.000 0.927 181 K CB -0.309 32.208 32.500 0.029 0.000 0.712 181 K HN 0.161 nan 8.250 nan 0.000 0.441 182 K N 0.134 120.480 120.400 -0.091 0.000 2.009 182 K HA -0.189 4.131 4.320 0.000 0.000 0.210 182 K C 1.807 178.406 176.600 -0.002 0.000 1.049 182 K CA 1.674 57.869 56.287 -0.155 0.000 0.929 182 K CB -0.070 32.181 32.500 -0.414 0.000 0.714 182 K HN 0.207 nan 8.250 nan 0.000 0.440 183 W N 1.046 122.383 121.300 0.062 0.000 2.453 183 W HA 0.023 4.683 4.660 -0.000 0.000 0.289 183 W C 1.938 178.513 176.519 0.093 0.000 1.215 183 W CA 0.337 57.717 57.345 0.058 0.000 1.297 183 W CB -0.734 28.738 29.460 0.021 0.000 1.113 183 W HN 0.122 nan 8.180 nan 0.000 0.551 184 L N 0.478 121.901 121.223 0.334 0.000 2.083 184 L HA -0.172 4.168 4.340 0.000 0.000 0.209 184 L C 2.592 179.557 176.870 0.158 0.000 1.083 184 L CA 1.478 56.467 54.840 0.248 0.000 0.752 184 L CB -1.103 41.086 42.059 0.217 0.000 0.899 184 L HN -0.147 nan 8.230 nan 0.000 0.433 185 A N -0.058 122.834 122.820 0.121 0.000 2.067 185 A HA -0.145 4.175 4.320 0.000 0.000 0.219 185 A C 2.186 179.834 177.584 0.107 0.000 1.158 185 A CA 1.214 53.297 52.037 0.077 0.000 0.661 185 A CB -0.359 18.668 19.000 0.044 0.000 0.801 185 A HN 0.371 nan 8.150 nan 0.000 0.452 186 R N -0.946 119.645 120.500 0.152 0.000 2.393 186 R HA 0.224 4.564 4.340 0.000 0.000 0.244 186 R C -0.536 175.855 176.300 0.153 0.000 0.920 186 R CA -0.162 56.026 56.100 0.147 0.000 1.076 186 R CB 0.511 30.913 30.300 0.170 0.000 1.119 186 R HN 0.269 nan 8.270 nan 0.000 0.524 187 V N 0.979 121.004 119.914 0.186 0.000 2.488 187 V HA 0.345 4.465 4.120 0.000 0.000 0.277 187 V C 0.921 177.172 176.094 0.262 0.000 1.046 187 V CA -0.338 62.088 62.300 0.210 0.000 0.986 187 V CB 1.189 33.170 31.823 0.263 0.000 0.989 187 V HN 0.316 nan 8.190 nan 0.000 0.475 188 G N 3.051 111.938 108.800 0.144 0.000 2.753 188 G HA2 0.417 4.377 3.960 0.000 0.000 0.285 188 G HA3 0.417 4.377 3.960 0.000 0.000 0.285 188 G C 0.052 174.798 174.900 -0.257 0.000 1.344 188 G CA -0.401 44.726 45.100 0.045 0.000 1.050 188 G HN 0.848 nan 8.290 nan 0.000 0.532 189 N N -1.443 116.971 118.700 -0.478 0.000 2.433 189 N HA 0.044 4.784 4.740 0.000 0.000 0.270 189 N C -0.345 174.923 175.510 -0.403 0.000 1.354 189 N CA -0.403 52.248 53.050 -0.664 0.000 0.889 189 N CB 0.434 38.244 38.487 -1.128 0.000 1.285 189 N HN 0.353 nan 8.380 nan 0.000 0.503 190 N N 1.582 120.119 118.700 -0.272 0.000 2.968 190 N HA 0.033 4.773 4.740 0.000 0.000 0.271 190 N C -1.183 174.219 175.510 -0.180 0.000 1.174 190 N CA -0.060 52.881 53.050 -0.182 0.000 1.096 190 N CB 0.070 38.491 38.487 -0.109 0.000 1.403 190 N HN 0.522 nan 8.380 nan 0.000 0.522 191 N N -0.021 118.548 118.700 -0.217 0.000 3.243 191 N HA 0.283 5.023 4.740 0.000 0.000 0.280 191 N C 0.165 175.616 175.510 -0.098 0.000 1.545 191 N CA -0.743 52.211 53.050 -0.161 0.000 0.854 191 N CB 0.297 38.607 38.487 -0.296 0.000 1.612 191 N HN -0.070 nan 8.380 nan 0.000 0.577 192 A N -0.964 121.852 122.820 -0.007 0.000 2.067 192 A HA -0.094 4.226 4.320 0.000 0.000 0.219 192 A C 1.462 179.055 177.584 0.014 0.000 1.158 192 A CA 1.238 53.283 52.037 0.013 0.000 0.661 192 A CB -0.678 18.348 19.000 0.043 0.000 0.801 192 A HN 0.673 nan 8.150 nan 0.000 0.452 193 Q N -1.923 117.896 119.800 0.032 0.000 2.384 193 Q HA 0.263 4.603 4.340 0.000 0.000 0.207 193 Q C 1.019 176.992 176.000 -0.046 0.000 0.904 193 Q CA 0.283 56.108 55.803 0.036 0.000 0.933 193 Q CB 0.345 29.180 28.738 0.161 0.000 1.077 193 Q HN 0.798 nan 8.270 nan 0.000 0.522 194 G N 1.820 110.537 108.800 -0.138 0.000 2.198 194 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 194 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 194 G C -0.348 174.397 174.900 -0.259 0.000 1.025 194 G CA 0.416 45.399 45.100 -0.195 0.000 0.769 194 G HN 0.326 nan 8.290 nan 0.000 0.507 195 E N -1.275 118.736 120.200 -0.314 0.000 2.221 195 E HA 0.526 4.876 4.350 0.000 0.000 0.268 195 E C -0.716 175.645 176.600 -0.398 0.000 0.933 195 E CA -1.108 55.161 56.400 -0.217 0.000 0.809 195 E CB 1.009 30.752 29.700 0.072 0.000 1.190 195 E HN 0.246 nan 8.360 nan 0.000 0.406 196 Y N 1.474 121.755 120.300 -0.031 0.000 2.585 196 Y HA 0.097 4.647 4.550 -0.000 0.000 0.354 196 Y C -0.449 175.560 175.900 0.181 0.000 1.024 196 Y CA -0.393 57.725 58.100 0.031 0.000 1.321 196 Y CB -0.108 38.418 38.460 0.110 0.000 1.151 196 Y HN 0.337 nan 8.280 nan 0.000 0.525 197 Y N 3.494 123.897 120.300 0.173 0.000 2.393 197 Y HA 0.035 4.585 4.550 -0.000 0.000 0.338 197 Y C 1.045 177.046 175.900 0.170 0.000 1.029 197 Y CA -1.343 56.843 58.100 0.143 0.000 1.239 197 Y CB 0.687 39.196 38.460 0.083 0.000 1.170 197 Y HN 0.611 nan 8.280 nan 0.000 0.515 198 L N 2.958 124.385 121.223 0.340 0.000 2.187 198 L HA -0.179 4.161 4.340 0.000 0.000 0.213 198 L C 2.154 179.157 176.870 0.221 0.000 1.100 198 L CA 2.323 57.335 54.840 0.288 0.000 0.765 198 L CB -0.853 41.382 42.059 0.293 0.000 0.904 198 L HN 0.823 nan 8.230 nan 0.000 0.437 199 T N -4.927 109.734 114.554 0.177 0.000 2.929 199 T HA -0.140 4.210 4.350 0.000 0.000 0.271 199 T C 1.521 176.273 174.700 0.086 0.000 1.085 199 T CA 1.065 63.221 62.100 0.093 0.000 1.125 199 T CB -0.563 68.308 68.868 0.005 0.000 0.874 199 T HN 0.271 nan 8.240 nan 0.000 0.494 200 D N 0.902 121.391 120.400 0.149 0.000 2.310 200 D HA 0.059 4.699 4.640 0.000 0.000 0.212 200 D C 1.710 178.005 176.300 -0.008 0.000 0.965 200 D CA 0.189 54.244 54.000 0.092 0.000 0.879 200 D CB -0.326 40.554 40.800 0.133 0.000 0.921 200 D HN 0.273 nan 8.370 nan 0.000 0.510 201 L N 0.633 121.852 121.223 -0.006 0.000 2.187 201 L HA -0.170 4.170 4.340 0.000 0.000 0.213 201 L C 2.071 178.716 176.870 -0.375 0.000 1.100 201 L CA 0.869 55.609 54.840 -0.168 0.000 0.765 201 L CB -0.314 41.721 42.059 -0.040 0.000 0.904 201 L HN 0.089 nan 8.230 nan 0.000 0.437 202 I N -0.638 119.803 120.570 -0.216 0.000 2.163 202 I HA -0.226 3.944 4.170 0.000 0.000 0.240 202 I C 2.606 178.575 176.117 -0.246 0.000 1.081 202 I CA 1.571 62.736 61.300 -0.226 0.000 1.353 202 I CB -1.723 36.209 38.000 -0.114 0.000 1.054 202 I HN 0.215 nan 8.210 nan 0.000 0.407 203 A N 0.572 123.291 122.820 -0.169 0.000 1.969 203 A HA -0.118 4.202 4.320 0.000 0.000 0.218 203 A C 2.411 179.880 177.584 -0.192 0.000 1.169 203 A CA 1.113 53.067 52.037 -0.138 0.000 0.635 203 A CB -0.723 18.235 19.000 -0.069 0.000 0.810 203 A HN 0.402 nan 8.150 nan 0.000 0.445 204 L N -0.970 120.081 121.223 -0.287 0.000 2.056 204 L HA -0.147 4.193 4.340 0.000 0.000 0.207 204 L C 3.082 179.612 176.870 -0.567 0.000 1.078 204 L CA 0.968 55.596 54.840 -0.353 0.000 0.749 204 L CB -0.487 41.352 42.059 -0.365 0.000 0.901 204 L HN 0.421 nan 8.230 nan 0.000 0.433 205 A N -0.067 122.187 122.820 -0.943 0.000 1.902 205 A HA -0.254 4.066 4.320 0.000 0.000 0.217 205 A C 2.146 179.565 177.584 -0.275 0.000 1.181 205 A CA 1.968 53.493 52.037 -0.854 0.000 0.623 205 A CB -0.805 17.587 19.000 -1.014 0.000 0.818 205 A HN 0.516 nan 8.150 nan 0.000 0.443 206 N N -0.606 117.956 118.700 -0.230 0.000 2.166 206 N HA -0.219 4.521 4.740 0.000 0.000 0.186 206 N C 2.001 177.476 175.510 -0.059 0.000 1.019 206 N CA 1.504 54.489 53.050 -0.109 0.000 0.856 206 N CB -0.151 38.278 38.487 -0.097 0.000 0.993 206 N HN 0.737 nan 8.380 nan 0.000 0.426 207 Q N 0.220 119.980 119.800 -0.067 0.000 2.224 207 Q HA -0.119 4.221 4.340 0.000 0.000 0.203 207 Q C 0.274 176.293 176.000 0.032 0.000 0.970 207 Q CA 1.287 57.082 55.803 -0.015 0.000 0.865 207 Q CB 0.118 28.848 28.738 -0.013 0.000 0.922 207 Q HN 0.223 nan 8.270 nan 0.000 0.445 208 D N 0.367 120.807 120.400 0.066 0.000 2.328 208 D HA -0.005 4.635 4.640 0.000 0.000 0.226 208 D C -0.140 176.222 176.300 0.103 0.000 1.066 208 D CA 0.144 54.227 54.000 0.140 0.000 0.861 208 D CB -0.229 40.763 40.800 0.321 0.000 0.912 208 D HN 0.280 nan 8.370 nan 0.000 0.521 209 N N -0.362 118.372 118.700 0.056 0.000 2.721 209 N HA -0.204 4.536 4.740 0.000 0.000 0.249 209 N C -1.223 174.322 175.510 0.058 0.000 1.072 209 N CA 0.267 53.342 53.050 0.042 0.000 0.710 209 N CB -1.670 36.839 38.487 0.038 0.000 0.993 209 N HN 0.140 nan 8.380 nan 0.000 0.547 210 C N 0.382 119.728 119.300 0.077 0.000 2.365 210 C HA 0.447 4.907 4.460 0.000 0.000 0.349 210 C C 0.729 175.742 174.990 0.038 0.000 1.191 210 C CA -0.838 58.242 59.018 0.103 0.000 2.114 210 C CB 1.470 29.362 27.740 0.254 0.000 2.367 210 C HN 0.377 nan 8.230 nan 0.000 0.530 211 Q N 0.817 120.643 119.800 0.042 0.000 2.259 211 Q HA 0.553 4.893 4.340 0.000 0.000 0.249 211 Q C -1.030 174.968 176.000 -0.004 0.000 0.914 211 Q CA -0.181 55.630 55.803 0.013 0.000 0.904 211 Q CB 1.353 30.103 28.738 0.020 0.000 1.213 211 Q HN 0.547 nan 8.270 nan 0.000 0.428 212 V N 3.005 122.903 119.914 -0.026 0.000 2.444 212 V HA 0.335 4.455 4.120 0.000 0.000 0.294 212 V C -0.537 175.545 176.094 -0.021 0.000 1.022 212 V CA -0.709 61.568 62.300 -0.039 0.000 0.850 212 V CB 1.822 33.601 31.823 -0.073 0.000 0.992 212 V HN 0.490 nan 8.190 nan 0.000 0.426 213 V N 4.029 123.936 119.914 -0.011 0.000 2.417 213 V HA 0.771 4.891 4.120 0.000 0.000 0.291 213 V C 0.415 176.507 176.094 -0.004 0.000 1.024 213 V CA -0.585 61.712 62.300 -0.005 0.000 0.861 213 V CB 1.792 33.617 31.823 0.003 0.000 0.985 213 V HN 0.954 nan 8.190 nan 0.000 0.436 214 A N 4.753 127.569 122.820 -0.006 0.000 2.290 214 A HA 0.758 5.078 4.320 0.000 0.000 0.310 214 A C -0.487 177.095 177.584 -0.002 0.000 1.202 214 A CA -0.437 51.597 52.037 -0.005 0.000 0.837 214 A CB 1.010 20.003 19.000 -0.011 0.000 1.139 214 A HN 0.672 nan 8.150 nan 0.000 0.509 215 V N 4.093 124.007 119.914 0.001 0.000 2.350 215 V HA 0.187 4.307 4.120 0.000 0.000 0.276 215 V C 0.094 176.185 176.094 -0.004 0.000 1.028 215 V CA -0.353 61.948 62.300 0.001 0.000 0.860 215 V CB 1.122 32.950 31.823 0.008 0.000 0.990 215 V HN 0.959 nan 8.190 nan 0.000 0.453 216 Q N 3.540 123.335 119.800 -0.008 0.000 2.307 216 Q HA 0.536 4.876 4.340 0.000 0.000 0.259 216 Q C 0.244 176.236 176.000 -0.014 0.000 0.998 216 Q CA -0.287 55.507 55.803 -0.015 0.000 0.923 216 Q CB 1.460 30.188 28.738 -0.016 0.000 1.196 216 Q HN 0.867 nan 8.270 nan 0.000 0.416 217 A N 2.251 125.059 122.820 -0.020 0.000 2.450 217 A HA 0.166 4.486 4.320 0.000 0.000 0.255 217 A C 1.141 178.713 177.584 -0.019 0.000 1.096 217 A CA -0.175 51.851 52.037 -0.017 0.000 0.778 217 A CB 0.263 19.247 19.000 -0.028 0.000 1.031 217 A HN 0.857 nan 8.150 nan 0.000 0.494 218 T N -1.009 113.541 114.554 -0.007 0.000 3.057 218 T HA 0.068 4.418 4.350 0.000 0.000 0.254 218 T C 0.273 174.974 174.700 0.001 0.000 1.094 218 T CA 0.764 62.862 62.100 -0.003 0.000 1.088 218 T CB -0.011 68.860 68.868 0.005 0.000 0.934 218 T HN 0.561 nan 8.240 nan 0.000 0.497 219 D N 1.410 121.813 120.400 0.005 0.000 2.427 219 D HA 0.309 4.949 4.640 0.000 0.000 0.226 219 D C 1.208 177.480 176.300 -0.047 0.000 1.076 219 D CA -0.505 53.502 54.000 0.011 0.000 0.849 219 D CB 1.655 42.494 40.800 0.065 0.000 1.052 219 D HN -0.045 nan 8.370 nan 0.000 0.515 220 V N 4.221 124.095 119.914 -0.065 0.000 2.343 220 V HA -0.225 3.895 4.120 0.000 0.000 0.247 220 V C 2.420 178.410 176.094 -0.173 0.000 1.051 220 V CA 1.171 63.406 62.300 -0.108 0.000 1.036 220 V CB -0.389 31.381 31.823 -0.089 0.000 0.654 220 V HN 0.647 nan 8.190 nan 0.000 0.451 221 M N -0.496 118.953 119.600 -0.252 0.000 2.229 221 M HA -0.155 4.325 4.480 0.000 0.000 0.264 221 M C 2.166 178.161 176.300 -0.509 0.000 1.063 221 M CA 1.399 56.425 55.300 -0.457 0.000 1.114 221 M CB -1.194 30.919 32.600 -0.812 0.000 1.387 221 M HN 0.502 nan 8.290 nan 0.000 0.420 222 E N 0.647 120.612 120.200 -0.392 0.000 2.130 222 E HA -0.163 4.187 4.350 0.000 0.000 0.196 222 E C 1.476 178.008 176.600 -0.115 0.000 0.998 222 E CA 1.746 58.034 56.400 -0.188 0.000 0.806 222 E CB 0.217 29.903 29.700 -0.024 0.000 0.738 222 E HN 0.436 nan 8.360 nan 0.000 0.459 223 V N -1.241 118.601 119.914 -0.120 0.000 3.542 223 V HA 0.223 4.343 4.120 0.000 0.000 0.296 223 V C 0.270 176.299 176.094 -0.108 0.000 1.364 223 V CA -0.273 61.975 62.300 -0.086 0.000 1.118 223 V CB 0.261 32.035 31.823 -0.082 0.000 0.972 223 V HN -0.032 nan 8.190 nan 0.000 0.430 224 E N 1.708 121.829 120.200 -0.132 0.000 2.354 224 E HA 0.562 4.912 4.350 0.000 0.000 0.269 224 E C 0.573 177.135 176.600 -0.063 0.000 1.036 224 E CA 0.680 57.014 56.400 -0.110 0.000 0.876 224 E CB 1.144 30.770 29.700 -0.124 0.000 1.009 224 E HN 0.569 nan 8.360 nan 0.000 0.416 225 G N 1.577 110.361 108.800 -0.027 0.000 2.491 225 G HA2 0.627 4.587 3.960 0.000 0.000 0.327 225 G HA3 0.627 4.587 3.960 0.000 0.000 0.327 225 G C -1.195 173.706 174.900 0.001 0.000 1.189 225 G CA -0.324 44.772 45.100 -0.007 0.000 0.956 225 G HN 0.604 nan 8.290 nan 0.000 0.491 226 A N 0.654 123.475 122.820 0.002 0.000 2.285 226 A HA 0.543 4.863 4.320 0.000 0.000 0.310 226 A C 0.440 178.016 177.584 -0.014 0.000 1.266 226 A CA -0.805 51.228 52.037 -0.007 0.000 0.832 226 A CB 0.864 19.859 19.000 -0.009 0.000 1.163 226 A HN 0.482 nan 8.150 nan 0.000 0.499 227 N N 1.142 119.825 118.700 -0.027 0.000 2.356 227 N HA 0.034 4.774 4.740 0.000 0.000 0.178 227 N C -0.031 175.432 175.510 -0.078 0.000 1.075 227 N CA 0.786 53.806 53.050 -0.050 0.000 0.889 227 N CB 0.225 38.677 38.487 -0.057 0.000 0.999 227 N HN 0.912 nan 8.380 nan 0.000 0.464 228 N N -1.504 117.156 118.700 -0.067 0.000 2.972 228 N HA 0.286 5.026 4.740 0.000 0.000 0.262 228 N C 0.093 175.559 175.510 -0.073 0.000 1.478 228 N CA -0.677 52.327 53.050 -0.077 0.000 0.841 228 N CB 1.159 39.625 38.487 -0.034 0.000 1.512 228 N HN -0.326 nan 8.380 nan 0.000 0.548 229 R N -0.906 119.553 120.500 -0.068 0.000 2.193 229 R HA 0.101 4.441 4.340 0.000 0.000 0.213 229 R C 1.343 177.632 176.300 -0.019 0.000 1.055 229 R CA 0.384 56.447 56.100 -0.062 0.000 0.995 229 R CB -0.470 29.796 30.300 -0.056 0.000 0.893 229 R HN 0.481 nan 8.270 nan 0.000 0.459 230 L N 1.414 122.634 121.223 -0.005 0.000 2.017 230 L HA -0.185 4.155 4.340 0.000 0.000 0.208 230 L C 1.998 178.872 176.870 0.007 0.000 1.073 230 L CA 1.830 56.674 54.840 0.007 0.000 0.745 230 L CB -0.351 41.715 42.059 0.012 0.000 0.894 230 L HN 0.088 nan 8.230 nan 0.000 0.432 231 Q N -0.780 119.019 119.800 -0.001 0.000 2.084 231 Q HA -0.238 4.102 4.340 0.000 0.000 0.202 231 Q C 2.345 178.344 176.000 -0.002 0.000 0.978 231 Q CA 1.982 57.785 55.803 -0.000 0.000 0.844 231 Q CB -0.392 28.344 28.738 -0.004 0.000 0.898 231 Q HN 0.546 nan 8.270 nan 0.000 0.426 232 L N 0.362 121.578 121.223 -0.010 0.000 2.042 232 L HA -0.228 4.112 4.340 0.000 0.000 0.210 232 L C 2.248 179.127 176.870 0.016 0.000 1.076 232 L CA 1.649 56.486 54.840 -0.005 0.000 0.749 232 L CB -0.376 41.671 42.059 -0.019 0.000 0.893 232 L HN 0.195 nan 8.230 nan 0.000 0.432 233 A N -0.651 122.182 122.820 0.020 0.000 1.933 233 A HA -0.143 4.177 4.320 0.000 0.000 0.218 233 A C 2.423 180.039 177.584 0.054 0.000 1.175 233 A CA 1.595 53.655 52.037 0.038 0.000 0.628 233 A CB -0.970 18.050 19.000 0.032 0.000 0.814 233 A HN 0.564 nan 8.150 nan 0.000 0.444 234 A N -0.542 122.306 122.820 0.046 0.000 1.902 234 A HA -0.004 4.316 4.320 0.000 0.000 0.217 234 A C 1.962 179.600 177.584 0.089 0.000 1.181 234 A CA 1.680 53.753 52.037 0.060 0.000 0.623 234 A CB -0.497 18.523 19.000 0.034 0.000 0.818 234 A HN 0.384 nan 8.150 nan 0.000 0.443 235 L N -0.227 121.032 121.223 0.059 0.000 2.046 235 L HA -0.138 4.202 4.340 0.000 0.000 0.208 235 L C 2.403 179.373 176.870 0.167 0.000 1.077 235 L CA 2.267 57.155 54.840 0.080 0.000 0.747 235 L CB -1.128 40.934 42.059 0.004 0.000 0.896 235 L HN 0.578 nan 8.230 nan 0.000 0.432 236 E N -0.095 120.175 120.200 0.117 0.000 2.058 236 E HA -0.262 4.088 4.350 0.000 0.000 0.194 236 E C 2.392 179.109 176.600 0.196 0.000 0.997 236 E CA 1.278 57.764 56.400 0.143 0.000 0.801 236 E CB -0.073 29.682 29.700 0.093 0.000 0.746 236 E HN 0.167 nan 8.360 nan 0.000 0.450 237 R N -0.815 119.782 120.500 0.160 0.000 2.075 237 R HA -0.141 4.199 4.340 0.000 0.000 0.232 237 R C 2.313 178.712 176.300 0.164 0.000 1.126 237 R CA 1.773 57.958 56.100 0.140 0.000 0.963 237 R CB -1.106 29.261 30.300 0.111 0.000 0.858 237 R HN 0.441 nan 8.270 nan 0.000 0.435 238 Y N -0.404 119.948 120.300 0.087 0.000 2.145 238 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 238 Y C 1.825 177.789 175.900 0.107 0.000 1.145 238 Y CA 2.068 60.217 58.100 0.081 0.000 1.148 238 Y CB -0.542 37.962 38.460 0.073 0.000 0.981 238 Y HN 0.153 nan 8.280 nan 0.000 0.507 239 F N 0.976 120.994 119.950 0.114 0.000 2.134 239 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 239 F C 2.308 178.092 175.800 -0.027 0.000 1.097 239 F CA 1.839 59.850 58.000 0.018 0.000 1.264 239 F CB -0.456 38.579 39.000 0.058 0.000 1.001 239 F HN 0.098 nan 8.300 nan 0.000 0.479 240 Q N 0.274 120.128 119.800 0.090 0.000 2.079 240 Q HA -0.234 4.106 4.340 0.000 0.000 0.200 240 Q C 2.163 178.142 176.000 -0.035 0.000 0.974 240 Q CA 1.472 57.293 55.803 0.030 0.000 0.840 240 Q CB -1.140 27.660 28.738 0.103 0.000 0.898 240 Q HN 0.572 nan 8.270 nan 0.000 0.430 241 N N 1.161 119.821 118.700 -0.068 0.000 2.120 241 N HA -0.195 4.545 4.740 0.000 0.000 0.188 241 N C 1.757 177.150 175.510 -0.195 0.000 1.024 241 N CA 1.266 54.253 53.050 -0.105 0.000 0.852 241 N CB 0.075 38.496 38.487 -0.109 0.000 1.003 241 N HN 0.170 nan 8.380 nan 0.000 0.424 242 K N 0.673 120.871 120.400 -0.337 0.000 2.057 242 K HA -0.145 4.175 4.320 0.000 0.000 0.207 242 K C 2.189 178.616 176.600 -0.289 0.000 1.049 242 K CA 1.320 57.390 56.287 -0.362 0.000 0.931 242 K CB 0.034 32.239 32.500 -0.493 0.000 0.714 242 K HN 0.311 nan 8.250 nan 0.000 0.440 243 Q N -0.407 119.192 119.800 -0.334 0.000 2.046 243 Q HA -0.122 4.218 4.340 0.000 0.000 0.200 243 Q C 2.167 178.111 176.000 -0.092 0.000 0.975 243 Q CA 1.405 57.074 55.803 -0.222 0.000 0.836 243 Q CB -0.135 28.480 28.738 -0.204 0.000 0.896 243 Q HN 0.417 nan 8.270 nan 0.000 0.428 244 A N 0.581 123.372 122.820 -0.049 0.000 1.902 244 A HA -0.176 4.144 4.320 0.000 0.000 0.217 244 A C 2.279 179.766 177.584 -0.162 0.000 1.181 244 A CA 1.705 53.673 52.037 -0.116 0.000 0.623 244 A CB -0.489 18.488 19.000 -0.038 0.000 0.818 244 A HN 0.242 nan 8.150 nan 0.000 0.443 245 S N -0.572 115.047 115.700 -0.134 0.000 2.382 245 S HA -0.156 4.314 4.470 0.000 0.000 0.228 245 S C 1.984 176.516 174.600 -0.114 0.000 1.027 245 S CA 1.611 59.738 58.200 -0.123 0.000 0.991 245 S CB -0.221 62.908 63.200 -0.117 0.000 0.823 245 S HN 0.694 nan 8.310 nan 0.000 0.469 246 K N 1.088 121.422 120.400 -0.111 0.000 2.057 246 K HA -0.023 4.297 4.320 0.000 0.000 0.207 246 K C 1.965 178.518 176.600 -0.078 0.000 1.049 246 K CA 1.049 57.288 56.287 -0.080 0.000 0.931 246 K CB -0.229 32.230 32.500 -0.068 0.000 0.714 246 K HN 0.267 nan 8.250 nan 0.000 0.440 247 L N 0.825 121.977 121.223 -0.118 0.000 2.056 247 L HA -0.176 4.164 4.340 0.000 0.000 0.207 247 L C 2.371 179.111 176.870 -0.217 0.000 1.078 247 L CA 0.897 55.629 54.840 -0.180 0.000 0.749 247 L CB -0.330 41.572 42.059 -0.261 0.000 0.901 247 L HN 0.211 nan 8.230 nan 0.000 0.433 248 L N -0.592 120.512 121.223 -0.199 0.000 2.042 248 L HA -0.254 4.086 4.340 0.000 0.000 0.210 248 L C 2.451 179.251 176.870 -0.117 0.000 1.076 248 L CA 1.324 56.063 54.840 -0.168 0.000 0.749 248 L CB -0.419 41.549 42.059 -0.151 0.000 0.893 248 L HN 0.255 nan 8.230 nan 0.000 0.432 249 L N -0.733 120.436 121.223 -0.090 0.000 2.201 249 L HA -0.177 4.163 4.340 0.000 0.000 0.212 249 L C 2.186 179.034 176.870 -0.036 0.000 1.105 249 L CA 1.006 55.811 54.840 -0.058 0.000 0.775 249 L CB -0.393 41.637 42.059 -0.048 0.000 0.913 249 L HN 0.303 nan 8.230 nan 0.000 0.440 250 E N -0.222 119.961 120.200 -0.028 0.000 2.482 250 E HA -0.010 4.340 4.350 0.000 0.000 0.196 250 E C 1.296 177.917 176.600 0.034 0.000 1.047 250 E CA 0.517 56.941 56.400 0.040 0.000 0.869 250 E CB 0.157 29.948 29.700 0.152 0.000 0.836 250 E HN 0.555 nan 8.360 nan 0.000 0.520 251 G N 0.716 109.481 108.800 -0.058 0.000 2.154 251 G HA2 -0.220 3.740 3.960 0.000 0.000 0.186 251 G HA3 -0.220 3.740 3.960 0.000 0.000 0.186 251 G C 0.143 174.964 174.900 -0.131 0.000 1.000 251 G CA -0.126 44.937 45.100 -0.063 0.000 0.664 251 G HN 0.113 nan 8.290 nan 0.000 0.513 252 V N 1.436 121.197 119.914 -0.256 0.000 2.461 252 V HA 0.577 4.697 4.120 0.000 0.000 0.275 252 V C 0.833 176.805 176.094 -0.204 0.000 1.047 252 V CA -0.247 61.877 62.300 -0.294 0.000 0.955 252 V CB 1.465 33.006 31.823 -0.469 0.000 0.988 252 V HN 0.381 nan 8.190 nan 0.000 0.471 253 M N 7.325 126.846 119.600 -0.131 0.000 2.264 253 M HA 0.397 4.877 4.480 0.000 0.000 0.340 253 M C -0.615 175.657 176.300 -0.046 0.000 1.420 253 M CA 0.309 55.553 55.300 -0.094 0.000 1.254 253 M CB -0.367 32.198 32.600 -0.058 0.000 1.575 253 M HN 0.472 nan 8.290 nan 0.000 0.452 254 I N 5.719 126.219 120.570 -0.118 0.000 2.307 254 I HA 0.081 4.251 4.170 0.000 0.000 0.289 254 I C 0.016 176.155 176.117 0.036 0.000 1.021 254 I CA -0.509 60.727 61.300 -0.107 0.000 1.224 254 I CB 0.766 38.544 38.000 -0.370 0.000 1.376 254 I HN 0.639 nan 8.210 nan 0.000 0.470 255 Y N 2.670 122.911 120.300 -0.097 0.000 2.207 255 Y HA -0.168 4.382 4.550 0.000 0.000 0.287 255 Y C 1.129 177.001 175.900 -0.046 0.000 1.156 255 Y CA 1.126 59.189 58.100 -0.062 0.000 1.182 255 Y CB -0.107 38.328 38.460 -0.042 0.000 0.979 255 Y HN 0.482 nan 8.280 nan 0.000 0.521 256 D N -1.115 119.365 120.400 0.134 0.000 2.386 256 D HA 0.190 4.830 4.640 0.000 0.000 0.247 256 D C -2.296 174.043 176.300 0.065 0.000 1.336 256 D CA -2.336 51.709 54.000 0.075 0.000 0.976 256 D CB 1.574 42.426 40.800 0.085 0.000 1.257 256 D HN -0.123 nan 8.370 nan 0.000 0.570 257 P HA -0.062 nan 4.420 nan 0.000 0.222 257 P C 0.964 178.318 177.300 0.091 0.000 1.147 257 P CA 0.526 63.643 63.100 0.028 0.000 0.790 257 P CB 0.281 31.962 31.700 -0.031 0.000 0.780 258 A N -0.110 122.751 122.820 0.070 0.000 2.167 258 A HA -0.003 4.317 4.320 0.000 0.000 0.214 258 A C 1.661 179.297 177.584 0.088 0.000 1.151 258 A CA 0.478 52.557 52.037 0.071 0.000 0.735 258 A CB -0.540 18.490 19.000 0.050 0.000 0.802 258 A HN 0.108 nan 8.150 nan 0.000 0.467 259 R N -1.161 119.405 120.500 0.111 0.000 2.989 259 R HA 0.382 4.722 4.340 0.000 0.000 0.340 259 R C -1.466 174.937 176.300 0.172 0.000 1.205 259 R CA -0.122 56.042 56.100 0.107 0.000 1.235 259 R CB 0.164 30.512 30.300 0.080 0.000 1.394 259 R HN 0.375 nan 8.270 nan 0.000 0.598 260 F N 0.138 120.091 119.950 0.006 0.000 2.581 260 F HA 0.392 4.919 4.527 0.000 0.000 0.311 260 F C -1.689 174.117 175.800 0.010 0.000 1.113 260 F CA -0.852 57.147 58.000 -0.001 0.000 0.935 260 F CB 2.114 41.108 39.000 -0.011 0.000 1.232 260 F HN -0.001 nan 8.300 nan 0.000 0.445 261 D N 5.291 125.181 120.400 -0.850 0.000 2.757 261 D HA 0.476 5.116 4.640 0.000 0.000 0.249 261 D C -1.778 174.046 176.300 -0.792 0.000 1.168 261 D CA -0.275 53.373 54.000 -0.586 0.000 0.870 261 D CB 2.420 43.072 40.800 -0.246 0.000 1.411 261 D HN 0.496 nan 8.370 nan 0.000 0.525 262 L N 2.360 123.314 121.223 -0.448 0.000 2.325 262 L HA 0.554 4.894 4.340 0.000 0.000 0.281 262 L C -0.913 175.963 176.870 0.009 0.000 1.004 262 L CA -0.370 54.358 54.840 -0.187 0.000 0.823 262 L CB 1.059 43.135 42.059 0.028 0.000 1.236 262 L HN 0.390 nan 8.230 nan 0.000 0.415 263 R N 4.663 125.172 120.500 0.015 0.000 2.748 263 R HA 0.689 5.029 4.340 0.000 0.000 0.283 263 R C -0.060 176.278 176.300 0.064 0.000 1.507 263 R CA -0.010 56.130 56.100 0.066 0.000 1.666 263 R CB 0.971 31.291 30.300 0.033 0.000 1.237 263 R HN 0.978 nan 8.270 nan 0.000 0.633 264 G N 0.170 109.028 108.800 0.096 0.000 2.480 264 G HA2 -0.086 3.874 3.960 0.000 0.000 0.109 264 G HA3 -0.086 3.874 3.960 0.000 0.000 0.109 264 G C -1.019 173.938 174.900 0.095 0.000 1.172 264 G CA -0.233 44.913 45.100 0.077 0.000 1.091 264 G HN 0.244 nan 8.290 nan 0.000 0.464 265 T N -1.628 112.972 114.554 0.076 0.000 2.876 265 T HA 0.694 5.044 4.350 0.000 0.000 0.289 265 T C -1.342 173.409 174.700 0.085 0.000 1.014 265 T CA -0.551 61.598 62.100 0.082 0.000 0.986 265 T CB 2.067 70.972 68.868 0.062 0.000 1.021 265 T HN 1.502 nan 8.240 nan 0.000 0.458 266 L N 1.914 123.203 121.223 0.108 0.000 2.343 266 L HA 0.612 4.952 4.340 0.000 0.000 0.278 266 L C -0.304 176.645 176.870 0.131 0.000 0.996 266 L CA -0.551 54.367 54.840 0.129 0.000 0.831 266 L CB 1.479 43.645 42.059 0.178 0.000 1.232 266 L HN 0.957 nan 8.230 nan 0.000 0.413 267 E N 3.483 123.735 120.200 0.088 0.000 2.191 267 E HA 0.503 4.853 4.350 0.000 0.000 0.278 267 E C -1.458 175.182 176.600 0.068 0.000 0.972 267 E CA -0.514 55.902 56.400 0.028 0.000 0.804 267 E CB 0.783 30.480 29.700 -0.006 0.000 1.110 267 E HN 0.824 nan 8.360 nan 0.000 0.394 268 H N 1.058 120.133 119.070 0.009 0.000 2.961 268 H HA 0.627 5.183 4.556 -0.000 0.000 0.371 268 H C -0.062 175.264 175.328 -0.003 0.000 1.190 268 H CA -0.809 55.241 56.048 0.003 0.000 1.138 268 H CB 1.266 31.028 29.762 -0.001 0.000 1.816 268 H HN 0.515 nan 8.280 nan 0.000 0.551 269 G N 0.702 109.568 108.800 0.110 0.000 2.531 269 G HA2 0.368 4.328 3.960 0.000 0.000 0.253 269 G HA3 0.368 4.328 3.960 0.000 0.000 0.253 269 G C -0.752 174.250 174.900 0.169 0.000 1.439 269 G CA -1.126 44.016 45.100 0.070 0.000 1.056 269 G HN 0.920 nan 8.290 nan 0.000 0.555 270 K N -0.912 119.540 120.400 0.086 0.000 2.098 270 K HA 0.377 4.697 4.320 0.000 0.000 0.258 270 K C -0.784 175.842 176.600 0.043 0.000 0.973 270 K CA -0.252 56.079 56.287 0.072 0.000 0.898 270 K CB 1.392 33.914 32.500 0.037 0.000 1.057 270 K HN 0.357 nan 8.250 nan 0.000 0.447 271 D N -0.218 120.195 120.400 0.022 0.000 2.837 271 D HA -0.130 4.510 4.640 0.000 0.000 0.230 271 D C -0.539 175.765 176.300 0.006 0.000 1.152 271 D CA 0.630 54.633 54.000 0.005 0.000 0.736 271 D CB -1.207 39.596 40.800 0.004 0.000 1.084 271 D HN 0.333 nan 8.370 nan 0.000 0.429 272 V N 0.649 120.565 119.914 0.003 0.000 2.614 272 V HA 0.119 4.239 4.120 0.000 0.000 0.291 272 V C 0.842 176.928 176.094 -0.013 0.000 1.049 272 V CA 0.380 62.678 62.300 -0.004 0.000 1.038 272 V CB 1.496 33.314 31.823 -0.008 0.000 0.980 272 V HN 0.011 nan 8.190 nan 0.000 0.481 273 E N 5.036 125.244 120.200 0.014 0.000 2.199 273 E HA 0.587 4.937 4.350 0.000 0.000 0.265 273 E C -1.195 175.419 176.600 0.023 0.000 0.882 273 E CA -0.490 55.954 56.400 0.073 0.000 0.759 273 E CB 2.409 32.194 29.700 0.142 0.000 1.148 273 E HN 0.533 nan 8.360 nan 0.000 0.412 274 I N 2.443 123.029 120.570 0.027 0.000 2.439 274 I HA 0.230 4.400 4.170 0.000 0.000 0.285 274 I C -0.069 175.969 176.117 -0.133 0.000 1.021 274 I CA -0.792 60.482 61.300 -0.043 0.000 1.091 274 I CB 1.418 39.416 38.000 -0.003 0.000 1.242 274 I HN 0.451 nan 8.210 nan 0.000 0.439 275 D N 4.104 124.297 120.400 -0.345 0.000 2.414 275 D HA 0.233 4.873 4.640 0.000 0.000 0.259 275 D C -0.181 175.996 176.300 -0.205 0.000 1.269 275 D CA -0.166 53.493 54.000 -0.568 0.000 1.028 275 D CB 1.683 42.118 40.800 -0.609 0.000 1.093 275 D HN 0.257 nan 8.370 nan 0.000 0.545 276 V N -0.021 119.796 119.914 -0.162 0.000 2.811 276 V HA 0.258 4.378 4.120 0.000 0.000 0.302 276 V C 0.169 176.244 176.094 -0.032 0.000 1.063 276 V CA -0.900 61.385 62.300 -0.026 0.000 1.088 276 V CB 0.536 32.363 31.823 0.008 0.000 0.982 276 V HN 0.684 nan 8.190 nan 0.000 0.485 277 N N 0.823 119.536 118.700 0.023 0.000 2.746 277 N HA -0.126 4.614 4.740 0.000 0.000 0.250 277 N C -0.552 174.946 175.510 -0.020 0.000 1.055 277 N CA 0.904 53.961 53.050 0.011 0.000 0.699 277 N CB -1.208 37.291 38.487 0.020 0.000 0.919 277 N HN 0.748 nan 8.380 nan 0.000 0.548 278 V N 1.159 121.074 119.914 0.002 0.000 2.547 278 V HA 0.563 4.683 4.120 0.000 0.000 0.299 278 V C 0.824 176.848 176.094 -0.117 0.000 1.040 278 V CA -0.596 61.689 62.300 -0.025 0.000 0.913 278 V CB 2.276 34.127 31.823 0.047 0.000 0.992 278 V HN 0.142 nan 8.190 nan 0.000 0.449 279 I N 5.268 125.768 120.570 -0.117 0.000 2.406 279 I HA 0.462 4.632 4.170 0.000 0.000 0.290 279 I C -0.954 175.085 176.117 -0.130 0.000 0.999 279 I CA -0.525 60.673 61.300 -0.171 0.000 1.124 279 I CB 1.813 39.757 38.000 -0.094 0.000 1.289 279 I HN 0.292 nan 8.210 nan 0.000 0.441 280 I N 5.917 126.378 120.570 -0.181 0.000 2.362 280 I HA 0.421 4.591 4.170 0.000 0.000 0.289 280 I C -0.061 176.025 176.117 -0.052 0.000 0.994 280 I CA -0.423 60.831 61.300 -0.076 0.000 1.158 280 I CB 1.275 39.258 38.000 -0.029 0.000 1.315 280 I HN 0.641 nan 8.210 nan 0.000 0.451 281 E N 3.268 123.458 120.200 -0.017 0.000 2.312 281 E HA 0.665 5.015 4.350 0.000 0.000 0.267 281 E C 0.340 176.947 176.600 0.012 0.000 0.894 281 E CA -0.696 55.703 56.400 -0.002 0.000 0.773 281 E CB 2.534 32.233 29.700 -0.002 0.000 1.241 281 E HN 0.764 nan 8.360 nan 0.000 0.432 282 G N 2.691 111.502 108.800 0.018 0.000 2.552 282 G HA2 -0.270 3.690 3.960 0.000 0.000 0.265 282 G HA3 -0.270 3.690 3.960 0.000 0.000 0.265 282 G C -0.508 174.407 174.900 0.025 0.000 1.234 282 G CA -0.487 44.624 45.100 0.018 0.000 0.944 282 G HN 0.547 nan 8.290 nan 0.000 0.568 283 N N 0.425 119.138 118.700 0.022 0.000 2.457 283 N HA 0.516 5.256 4.740 0.000 0.000 0.250 283 N C -0.501 175.025 175.510 0.027 0.000 0.982 283 N CA -0.128 52.937 53.050 0.026 0.000 0.941 283 N CB 1.704 40.202 38.487 0.018 0.000 1.120 283 N HN 0.533 nan 8.380 nan 0.000 0.505 284 V N 2.106 122.043 119.914 0.038 0.000 2.604 284 V HA 0.407 4.527 4.120 0.000 0.000 0.305 284 V C 0.077 176.198 176.094 0.046 0.000 1.043 284 V CA -0.810 61.513 62.300 0.039 0.000 0.888 284 V CB 2.395 34.246 31.823 0.047 0.000 0.995 284 V HN 0.467 nan 8.190 nan 0.000 0.429 285 K N 5.025 125.447 120.400 0.036 0.000 2.376 285 K HA 0.726 5.046 4.320 0.000 0.000 0.257 285 K C -1.799 174.822 176.600 0.036 0.000 0.939 285 K CA -0.608 55.700 56.287 0.034 0.000 0.809 285 K CB 1.494 34.004 32.500 0.017 0.000 1.121 285 K HN 0.629 nan 8.250 nan 0.000 0.425 286 L N 3.333 124.587 121.223 0.053 0.000 2.362 286 L HA 0.510 4.850 4.340 0.000 0.000 0.275 286 L C 0.749 177.647 176.870 0.046 0.000 0.998 286 L CA -1.036 53.834 54.840 0.050 0.000 0.820 286 L CB 1.917 44.019 42.059 0.070 0.000 1.270 286 L HN 0.823 nan 8.230 nan 0.000 0.415 287 G N 0.963 109.779 108.800 0.026 0.000 2.508 287 G HA2 0.184 4.144 3.960 0.000 0.000 0.278 287 G HA3 0.184 4.144 3.960 0.000 0.000 0.278 287 G C -0.536 174.380 174.900 0.028 0.000 1.389 287 G CA -0.540 44.571 45.100 0.019 0.000 1.050 287 G HN 0.549 nan 8.290 nan 0.000 0.522 288 D N -0.141 120.270 120.400 0.019 0.000 2.424 288 D HA 0.215 4.855 4.640 0.000 0.000 0.244 288 D C 0.753 177.062 176.300 0.015 0.000 1.134 288 D CA 0.311 54.324 54.000 0.021 0.000 0.881 288 D CB 0.782 41.589 40.800 0.012 0.000 1.191 288 D HN 0.469 nan 8.370 nan 0.000 0.445 289 R N -0.669 119.841 120.500 0.017 0.000 3.770 289 R HA -0.147 4.193 4.340 0.000 0.000 0.305 289 R C -0.420 175.883 176.300 0.005 0.000 1.184 289 R CA 0.042 56.148 56.100 0.010 0.000 0.823 289 R CB -1.972 28.331 30.300 0.005 0.000 1.285 289 R HN 0.230 nan 8.270 nan 0.000 0.499 290 V N 1.675 121.594 119.914 0.008 0.000 2.572 290 V HA 0.084 4.204 4.120 0.000 0.000 0.291 290 V C 0.854 176.945 176.094 -0.004 0.000 1.039 290 V CA 0.508 62.808 62.300 0.001 0.000 1.055 290 V CB 1.247 33.075 31.823 0.008 0.000 0.969 290 V HN 0.091 nan 8.190 nan 0.000 0.482 291 K N 5.996 126.386 120.400 -0.017 0.000 2.323 291 K HA 0.624 4.944 4.320 0.000 0.000 0.259 291 K C -1.108 175.458 176.600 -0.056 0.000 0.947 291 K CA -0.493 55.777 56.287 -0.030 0.000 0.819 291 K CB 2.162 34.645 32.500 -0.028 0.000 1.109 291 K HN 0.504 nan 8.250 nan 0.000 0.429 292 I N 2.139 122.664 120.570 -0.075 0.000 2.389 292 I HA 0.246 4.416 4.170 0.000 0.000 0.288 292 I C 0.754 176.770 176.117 -0.168 0.000 0.999 292 I CA -0.691 60.550 61.300 -0.098 0.000 1.129 292 I CB 1.779 39.744 38.000 -0.057 0.000 1.288 292 I HN 0.665 nan 8.210 nan 0.000 0.444 293 G N 3.286 111.968 108.800 -0.198 0.000 2.621 293 G HA2 0.223 4.183 3.960 0.000 0.000 0.271 293 G HA3 0.223 4.183 3.960 0.000 0.000 0.271 293 G C -0.057 174.650 174.900 -0.321 0.000 1.236 293 G CA -0.250 44.689 45.100 -0.269 0.000 0.958 293 G HN 0.480 nan 8.290 nan 0.000 0.512 294 T N -1.282 113.039 114.554 -0.390 0.000 2.930 294 T HA 0.403 4.753 4.350 0.000 0.000 0.306 294 T C 1.574 175.891 174.700 -0.639 0.000 1.045 294 T CA 1.731 63.583 62.100 -0.415 0.000 1.134 294 T CB 0.065 68.728 68.868 -0.341 0.000 0.961 294 T HN 2.006 nan 8.240 nan 0.000 0.545 295 G N 2.752 111.311 108.800 -0.400 0.000 2.179 295 G HA2 -0.240 3.720 3.960 0.000 0.000 0.260 295 G HA3 -0.240 3.720 3.960 0.000 0.000 0.260 295 G C 0.546 175.350 174.900 -0.160 0.000 0.977 295 G CA 0.048 44.965 45.100 -0.305 0.000 0.641 295 G HN 0.961 nan 8.290 nan 0.000 0.533 296 C N 0.229 119.421 119.300 -0.180 0.000 2.605 296 C HA 0.609 5.069 4.460 0.000 0.000 0.404 296 C C 0.931 175.896 174.990 -0.042 0.000 1.284 296 C CA -0.361 58.599 59.018 -0.098 0.000 2.199 296 C CB 1.177 28.851 27.740 -0.111 0.000 2.647 296 C HN 0.432 nan 8.230 nan 0.000 0.604 297 V N 4.163 124.068 119.914 -0.014 0.000 2.443 297 V HA 0.451 4.571 4.120 0.000 0.000 0.293 297 V C -0.656 175.436 176.094 -0.003 0.000 1.021 297 V CA -0.323 61.973 62.300 -0.006 0.000 0.848 297 V CB 1.294 33.125 31.823 0.014 0.000 0.998 297 V HN 0.571 nan 8.190 nan 0.000 0.424 298 L N 5.098 126.316 121.223 -0.008 0.000 2.343 298 L HA 0.605 4.945 4.340 0.000 0.000 0.278 298 L C -0.251 176.620 176.870 0.003 0.000 0.996 298 L CA -0.101 54.739 54.840 0.001 0.000 0.831 298 L CB 1.684 43.746 42.059 0.005 0.000 1.232 298 L HN 0.606 nan 8.230 nan 0.000 0.413 299 K N 3.574 123.978 120.400 0.007 0.000 2.502 299 K HA 0.413 4.733 4.320 0.000 0.000 0.254 299 K C -0.670 175.936 176.600 0.010 0.000 0.947 299 K CA -0.455 55.837 56.287 0.008 0.000 0.834 299 K CB 0.668 33.173 32.500 0.009 0.000 1.112 299 K HN 0.556 nan 8.250 nan 0.000 0.427 300 N N 1.366 120.073 118.700 0.012 0.000 2.681 300 N HA -0.152 4.588 4.740 0.000 0.000 0.259 300 N C -0.923 174.593 175.510 0.010 0.000 1.066 300 N CA 1.304 54.360 53.050 0.011 0.000 0.717 300 N CB -1.218 37.274 38.487 0.008 0.000 0.885 300 N HN 0.458 nan 8.380 nan 0.000 0.547 301 V N -3.447 116.475 119.914 0.012 0.000 2.962 301 V HA 0.861 4.981 4.120 0.000 0.000 0.313 301 V C 0.133 176.234 176.094 0.011 0.000 1.099 301 V CA -0.876 61.430 62.300 0.009 0.000 0.971 301 V CB 2.940 34.768 31.823 0.008 0.000 1.028 301 V HN -0.106 nan 8.190 nan 0.000 0.430 302 V N 4.670 124.587 119.914 0.006 0.000 2.409 302 V HA 0.566 4.686 4.120 0.000 0.000 0.291 302 V C -0.607 175.487 176.094 0.001 0.000 1.020 302 V CA -0.346 61.957 62.300 0.005 0.000 0.848 302 V CB 1.367 33.191 31.823 0.002 0.000 0.990 302 V HN 0.740 nan 8.190 nan 0.000 0.430 303 I N 4.190 124.762 120.570 0.004 0.000 2.389 303 I HA 0.517 4.687 4.170 0.000 0.000 0.288 303 I C 0.884 176.999 176.117 -0.002 0.000 0.999 303 I CA -0.084 61.215 61.300 -0.002 0.000 1.129 303 I CB 1.408 39.409 38.000 0.001 0.000 1.288 303 I HN 0.671 nan 8.210 nan 0.000 0.444 304 G N 5.125 113.919 108.800 -0.010 0.000 2.621 304 G HA2 0.159 4.119 3.960 0.000 0.000 0.271 304 G HA3 0.159 4.119 3.960 0.000 0.000 0.271 304 G C 0.178 175.073 174.900 -0.009 0.000 1.236 304 G CA -0.492 44.602 45.100 -0.010 0.000 0.958 304 G HN 0.605 nan 8.290 nan 0.000 0.512 305 N N 0.790 119.486 118.700 -0.008 0.000 2.407 305 N HA 0.077 4.817 4.740 0.000 0.000 0.250 305 N C 0.222 175.726 175.510 -0.011 0.000 1.236 305 N CA 0.346 53.392 53.050 -0.006 0.000 0.879 305 N CB 0.431 38.915 38.487 -0.005 0.000 1.088 305 N HN 0.562 nan 8.380 nan 0.000 0.450 306 D N -1.470 118.925 120.400 -0.008 0.000 3.076 306 D HA -0.157 4.482 4.640 0.000 0.000 0.218 306 D C -0.714 175.575 176.300 -0.018 0.000 1.156 306 D CA 0.508 54.502 54.000 -0.011 0.000 0.921 306 D CB -1.195 39.598 40.800 -0.010 0.000 1.113 306 D HN 0.161 nan 8.370 nan 0.000 0.418 307 V N 0.881 120.783 119.914 -0.021 0.000 2.583 307 V HA 0.171 4.291 4.120 0.000 0.000 0.287 307 V C 0.713 176.789 176.094 -0.029 0.000 1.051 307 V CA 0.044 62.326 62.300 -0.030 0.000 1.010 307 V CB 1.823 33.628 31.823 -0.031 0.000 0.988 307 V HN 0.070 nan 8.190 nan 0.000 0.478 308 E N 4.713 124.892 120.200 -0.034 0.000 2.145 308 E HA 0.491 4.841 4.350 0.000 0.000 0.270 308 E C -1.170 175.399 176.600 -0.052 0.000 0.906 308 E CA -0.616 55.760 56.400 -0.040 0.000 0.761 308 E CB 1.198 30.877 29.700 -0.035 0.000 1.116 308 E HN 0.632 nan 8.360 nan 0.000 0.408 309 I N 4.940 125.472 120.570 -0.064 0.000 2.307 309 I HA 0.267 4.437 4.170 0.000 0.000 0.289 309 I C 0.293 176.340 176.117 -0.115 0.000 1.021 309 I CA -0.674 60.578 61.300 -0.079 0.000 1.224 309 I CB 1.148 39.106 38.000 -0.070 0.000 1.376 309 I HN 0.338 nan 8.210 nan 0.000 0.470 310 K N 6.585 126.908 120.400 -0.128 0.000 2.102 310 K HA 0.390 4.710 4.320 0.000 0.000 0.244 310 K C -2.376 174.074 176.600 -0.250 0.000 1.021 310 K CA -1.524 54.660 56.287 -0.171 0.000 0.913 310 K CB 0.361 32.771 32.500 -0.150 0.000 1.062 310 K HN 0.202 nan 8.250 nan 0.000 0.485 311 P HA -0.117 nan 4.420 nan 0.000 0.266 311 P C -1.104 175.883 177.300 -0.522 0.000 1.193 311 P CA 0.587 63.367 63.100 -0.533 0.000 0.770 311 P CB 0.044 31.412 31.700 -0.553 0.000 0.836 312 Y N -1.515 118.630 120.300 -0.258 0.000 3.389 312 Y HA -0.218 4.332 4.550 0.000 0.000 0.213 312 Y C 0.115 175.937 175.900 -0.130 0.000 1.272 312 Y CA -0.020 57.961 58.100 -0.198 0.000 1.444 312 Y CB -2.496 35.791 38.460 -0.289 0.000 1.445 312 Y HN 0.164 nan 8.280 nan 0.000 0.583 313 S N 0.118 115.789 115.700 -0.049 0.000 2.475 313 S HA 0.734 5.204 4.470 0.000 0.000 0.298 313 S C -0.023 174.590 174.600 0.021 0.000 1.119 313 S CA -0.863 57.334 58.200 -0.005 0.000 1.085 313 S CB 2.353 65.523 63.200 -0.051 0.000 1.028 313 S HN 0.113 nan 8.310 nan 0.000 0.489 314 V N 4.284 124.228 119.914 0.050 0.000 2.444 314 V HA 0.523 4.643 4.120 0.000 0.000 0.294 314 V C -1.161 174.955 176.094 0.037 0.000 1.022 314 V CA -0.597 61.731 62.300 0.047 0.000 0.850 314 V CB 1.123 32.988 31.823 0.070 0.000 0.992 314 V HN 0.632 nan 8.190 nan 0.000 0.426 315 L N 4.489 125.726 121.223 0.023 0.000 2.410 315 L HA 0.685 5.025 4.340 0.000 0.000 0.270 315 L C -0.387 176.493 176.870 0.017 0.000 0.983 315 L CA -0.150 54.701 54.840 0.018 0.000 0.822 315 L CB 1.998 44.061 42.059 0.007 0.000 1.285 315 L HN 0.732 nan 8.230 nan 0.000 0.409 316 E N 1.851 122.063 120.200 0.019 0.000 2.290 316 E HA 0.350 4.700 4.350 0.000 0.000 0.274 316 E C -1.244 175.364 176.600 0.014 0.000 0.889 316 E CA -0.508 55.902 56.400 0.017 0.000 0.760 316 E CB 1.255 30.967 29.700 0.020 0.000 1.206 316 E HN 0.597 nan 8.360 nan 0.000 0.419 317 D N 1.822 122.228 120.400 0.011 0.000 2.689 317 D HA -0.141 4.499 4.640 0.000 0.000 0.237 317 D C -1.286 175.019 176.300 0.007 0.000 1.148 317 D CA 1.271 55.276 54.000 0.008 0.000 0.656 317 D CB -0.992 39.813 40.800 0.009 0.000 1.050 317 D HN 0.238 nan 8.370 nan 0.000 0.426 318 S N -0.633 115.070 115.700 0.006 0.000 2.595 318 S HA 0.793 5.263 4.470 0.000 0.000 0.281 318 S C 0.065 174.665 174.600 -0.000 0.000 1.117 318 S CA -0.711 57.490 58.200 0.003 0.000 0.873 318 S CB 2.307 65.509 63.200 0.004 0.000 1.108 318 S HN 0.178 nan 8.310 nan 0.000 0.477 319 I N 1.708 122.276 120.570 -0.004 0.000 2.498 319 I HA 0.561 4.731 4.170 0.000 0.000 0.290 319 I C -1.224 174.885 176.117 -0.013 0.000 1.032 319 I CA -0.822 60.473 61.300 -0.007 0.000 1.073 319 I CB 1.994 39.990 38.000 -0.007 0.000 1.251 319 I HN 0.234 nan 8.210 nan 0.000 0.426 320 V N 4.587 124.492 119.914 -0.015 0.000 2.531 320 V HA 0.576 4.696 4.120 0.000 0.000 0.301 320 V C 0.548 176.626 176.094 -0.027 0.000 1.034 320 V CA -0.577 61.708 62.300 -0.024 0.000 0.865 320 V CB 1.592 33.400 31.823 -0.026 0.000 0.995 320 V HN 0.895 nan 8.190 nan 0.000 0.424 321 G N 2.999 111.779 108.800 -0.034 0.000 2.580 321 G HA2 0.467 4.427 3.960 0.000 0.000 0.278 321 G HA3 0.467 4.427 3.960 0.000 0.000 0.278 321 G C -0.024 174.852 174.900 -0.039 0.000 1.212 321 G CA -0.485 44.595 45.100 -0.033 0.000 0.939 321 G HN 0.902 nan 8.290 nan 0.000 0.513 322 E N -0.715 119.465 120.200 -0.033 0.000 2.415 322 E HA 0.163 4.513 4.350 0.000 0.000 0.262 322 E C -0.210 176.362 176.600 -0.046 0.000 1.038 322 E CA 0.009 56.389 56.400 -0.032 0.000 0.921 322 E CB 0.498 30.184 29.700 -0.023 0.000 0.950 322 E HN 0.546 nan 8.360 nan 0.000 0.438 323 K N -0.662 119.712 120.400 -0.044 0.000 3.349 323 K HA -0.250 4.070 4.320 0.000 0.000 0.310 323 K C 0.033 176.576 176.600 -0.095 0.000 1.267 323 K CA 0.611 56.866 56.287 -0.052 0.000 0.920 323 K CB -1.926 30.549 32.500 -0.042 0.000 1.240 323 K HN 0.693 nan 8.250 nan 0.000 0.453 324 A N 0.830 123.587 122.820 -0.105 0.000 2.406 324 A HA 0.609 4.929 4.320 0.000 0.000 0.243 324 A C 0.325 177.839 177.584 -0.117 0.000 1.082 324 A CA 0.419 52.364 52.037 -0.154 0.000 0.786 324 A CB 0.499 19.430 19.000 -0.116 0.000 1.029 324 A HN 0.464 nan 8.150 nan 0.000 0.495 325 A N 1.445 124.188 122.820 -0.128 0.000 2.335 325 A HA 0.645 4.965 4.320 0.000 0.000 0.304 325 A C -0.749 176.817 177.584 -0.030 0.000 1.118 325 A CA -0.395 51.617 52.037 -0.041 0.000 0.757 325 A CB 0.618 19.651 19.000 0.055 0.000 1.188 325 A HN 0.599 nan 8.150 nan 0.000 0.460 326 I N 1.661 122.208 120.570 -0.038 0.000 2.545 326 I HA 0.780 4.950 4.170 0.000 0.000 0.292 326 I C 0.738 176.819 176.117 -0.060 0.000 1.040 326 I CA 0.348 61.624 61.300 -0.041 0.000 1.068 326 I CB 0.814 38.790 38.000 -0.041 0.000 1.251 326 I HN 1.335 nan 8.210 nan 0.000 0.424 327 G N 7.137 115.897 108.800 -0.066 0.000 2.685 327 G HA2 -0.065 3.895 3.960 0.000 0.000 0.387 327 G HA3 -0.065 3.895 3.960 0.000 0.000 0.387 327 G C -3.132 171.692 174.900 -0.126 0.000 1.324 327 G CA -0.945 44.092 45.100 -0.105 0.000 0.878 327 G HN 0.474 nan 8.290 nan 0.000 0.527 328 P HA 0.539 nan 4.420 nan 0.000 0.276 328 P C 0.256 177.416 177.300 -0.233 0.000 1.261 328 P CA 0.065 62.977 63.100 -0.315 0.000 0.800 328 P CB 0.074 31.478 31.700 -0.493 0.000 1.066 329 F N -3.135 116.791 119.950 -0.040 0.000 3.091 329 F HA -0.189 4.338 4.527 0.000 0.000 0.288 329 F C 0.305 176.068 175.800 -0.063 0.000 0.907 329 F CA 0.611 58.584 58.000 -0.044 0.000 1.028 329 F CB -2.883 35.999 39.000 -0.197 0.000 1.022 329 F HN 0.026 nan 8.300 nan 0.000 0.665 330 S N -0.485 115.261 115.700 0.076 0.000 2.565 330 S HA 0.781 5.251 4.470 0.000 0.000 0.290 330 S C 0.081 174.731 174.600 0.084 0.000 1.150 330 S CA -0.845 57.391 58.200 0.061 0.000 1.058 330 S CB 2.314 65.520 63.200 0.010 0.000 1.032 330 S HN 0.368 nan 8.310 nan 0.000 0.510 331 R N 2.389 122.943 120.500 0.091 0.000 2.451 331 R HA 0.493 4.833 4.340 0.000 0.000 0.307 331 R C -1.741 174.602 176.300 0.071 0.000 0.965 331 R CA -0.263 55.891 56.100 0.089 0.000 0.865 331 R CB 0.273 30.641 30.300 0.113 0.000 1.174 331 R HN 0.596 nan 8.270 nan 0.000 0.455 332 L N 5.345 126.598 121.223 0.051 0.000 2.280 332 L HA 0.576 4.916 4.340 0.000 0.000 0.287 332 L C 0.356 177.252 176.870 0.043 0.000 1.023 332 L CA -0.755 54.109 54.840 0.040 0.000 0.819 332 L CB 1.570 43.642 42.059 0.021 0.000 1.212 332 L HN 0.568 nan 8.230 nan 0.000 0.420 333 R N 3.048 123.579 120.500 0.051 0.000 2.607 333 R HA 0.450 4.790 4.340 0.000 0.000 0.261 333 R C -2.379 173.942 176.300 0.035 0.000 1.051 333 R CA -1.848 54.282 56.100 0.050 0.000 1.110 333 R CB 0.705 31.049 30.300 0.073 0.000 1.158 333 R HN 0.281 nan 8.270 nan 0.000 0.543 334 P HA -0.067 nan 4.420 nan 0.000 0.263 334 P C 0.260 177.570 177.300 0.016 0.000 1.175 334 P CA 1.222 64.334 63.100 0.019 0.000 0.761 334 P CB 0.426 32.136 31.700 0.017 0.000 0.794 335 G N 1.696 110.502 108.800 0.010 0.000 2.157 335 G HA2 -0.165 3.795 3.960 0.000 0.000 0.248 335 G HA3 -0.165 3.795 3.960 0.000 0.000 0.248 335 G C 0.357 175.257 174.900 0.001 0.000 0.979 335 G CA -0.076 45.027 45.100 0.005 0.000 0.650 335 G HN 0.838 nan 8.290 nan 0.000 0.529 336 A N 0.327 123.148 122.820 0.002 0.000 2.409 336 A HA 0.615 4.935 4.320 0.000 0.000 0.267 336 A C 0.327 177.906 177.584 -0.007 0.000 1.127 336 A CA 0.269 52.304 52.037 -0.004 0.000 0.795 336 A CB 0.256 19.257 19.000 0.001 0.000 1.061 336 A HN 0.481 nan 8.150 nan 0.000 0.502 337 E N 2.899 123.092 120.200 -0.012 0.000 2.235 337 E HA 0.410 4.760 4.350 0.000 0.000 0.252 337 E C -1.437 175.152 176.600 -0.018 0.000 0.886 337 E CA -0.265 56.127 56.400 -0.013 0.000 0.767 337 E CB 1.611 31.304 29.700 -0.011 0.000 1.205 337 E HN 0.612 nan 8.360 nan 0.000 0.421 338 L N 2.457 123.667 121.223 -0.022 0.000 2.287 338 L HA 0.598 4.938 4.340 0.000 0.000 0.287 338 L C 0.493 177.343 176.870 -0.034 0.000 1.022 338 L CA -0.792 54.030 54.840 -0.030 0.000 0.814 338 L CB 1.339 43.376 42.059 -0.036 0.000 1.217 338 L HN 0.539 nan 8.230 nan 0.000 0.420 339 A N 2.812 125.611 122.820 -0.035 0.000 2.292 339 A HA 0.692 5.012 4.320 0.000 0.000 0.265 339 A C 0.524 178.078 177.584 -0.051 0.000 1.133 339 A CA -0.003 52.014 52.037 -0.035 0.000 0.807 339 A CB 0.322 19.306 19.000 -0.027 0.000 1.102 339 A HN 0.808 nan 8.150 nan 0.000 0.502 340 A N -0.928 121.864 122.820 -0.046 0.000 2.520 340 A HA 0.425 4.745 4.320 0.000 0.000 0.235 340 A C 0.620 178.154 177.584 -0.084 0.000 1.065 340 A CA 0.733 52.736 52.037 -0.057 0.000 0.764 340 A CB -0.638 18.339 19.000 -0.038 0.000 1.002 340 A HN 1.137 nan 8.150 nan 0.000 0.502 341 E N -0.945 119.182 120.200 -0.123 0.000 2.971 341 E HA -0.206 4.144 4.350 0.000 0.000 0.278 341 E C 0.282 176.674 176.600 -0.346 0.000 1.009 341 E CA 0.869 57.156 56.400 -0.189 0.000 0.862 341 E CB -2.456 27.194 29.700 -0.084 0.000 1.436 341 E HN 1.029 nan 8.360 nan 0.000 0.434 342 T N -1.224 113.148 114.554 -0.304 0.000 2.849 342 T HA 0.376 4.726 4.350 0.000 0.000 0.284 342 T C 0.068 174.457 174.700 -0.517 0.000 1.004 342 T CA -0.490 61.432 62.100 -0.295 0.000 1.021 342 T CB 1.270 70.064 68.868 -0.124 0.000 1.013 342 T HN 0.162 nan 8.240 nan 0.000 0.527 343 H N -0.264 118.791 119.070 -0.025 0.000 2.840 343 H HA 0.547 5.103 4.556 0.000 0.000 0.340 343 H C -1.263 174.040 175.328 -0.040 0.000 1.004 343 H CA -0.595 55.432 56.048 -0.036 0.000 1.288 343 H CB 1.768 31.507 29.762 -0.038 0.000 1.607 343 H HN 0.415 nan 8.280 nan 0.000 0.522 344 V N 2.552 122.493 119.914 0.045 0.000 2.531 344 V HA 0.566 4.686 4.120 0.000 0.000 0.301 344 V C 0.577 176.662 176.094 -0.015 0.000 1.034 344 V CA -0.597 61.710 62.300 0.012 0.000 0.865 344 V CB 1.867 33.690 31.823 -0.000 0.000 0.995 344 V HN 0.947 nan 8.190 nan 0.000 0.424 345 G N 3.111 111.887 108.800 -0.040 0.000 3.107 345 G HA2 0.373 4.333 3.960 0.000 0.000 0.232 345 G HA3 0.373 4.333 3.960 0.000 0.000 0.232 345 G C -0.327 174.505 174.900 -0.113 0.000 1.339 345 G CA -0.986 44.054 45.100 -0.100 0.000 1.033 345 G HN 0.833 nan 8.290 nan 0.000 0.567 346 N N -1.238 117.332 118.700 -0.216 0.000 2.513 346 N HA 0.199 4.939 4.740 0.000 0.000 0.268 346 N C -0.788 174.470 175.510 -0.419 0.000 1.180 346 N CA -0.270 52.486 53.050 -0.489 0.000 0.948 346 N CB 0.420 38.399 38.487 -0.847 0.000 1.083 346 N HN 0.403 nan 8.380 nan 0.000 0.455 347 F N -1.648 118.400 119.950 0.163 0.000 3.071 347 F HA -0.179 4.348 4.527 0.000 0.000 0.295 347 F C -0.920 174.941 175.800 0.103 0.000 0.919 347 F CA -0.267 57.793 58.000 0.100 0.000 1.050 347 F CB -2.278 36.748 39.000 0.044 0.000 1.040 347 F HN 0.254 nan 8.300 nan 0.000 0.692 348 V N 0.194 120.217 119.914 0.180 0.000 2.495 348 V HA 0.525 4.645 4.120 0.000 0.000 0.298 348 V C 0.092 176.271 176.094 0.142 0.000 1.031 348 V CA -1.027 61.360 62.300 0.146 0.000 0.871 348 V CB 2.263 34.138 31.823 0.087 0.000 0.988 348 V HN 0.303 nan 8.190 nan 0.000 0.432 349 E N 4.759 125.062 120.200 0.171 0.000 2.165 349 E HA 0.617 4.967 4.350 0.000 0.000 0.266 349 E C -1.587 175.098 176.600 0.142 0.000 0.889 349 E CA -0.579 55.937 56.400 0.193 0.000 0.756 349 E CB 1.592 31.465 29.700 0.289 0.000 1.131 349 E HN 0.652 nan 8.360 nan 0.000 0.411 350 I N 4.522 125.138 120.570 0.077 0.000 2.406 350 I HA 0.361 4.531 4.170 0.000 0.000 0.290 350 I C -0.311 175.821 176.117 0.024 0.000 0.999 350 I CA -0.731 60.566 61.300 -0.005 0.000 1.124 350 I CB 1.706 39.696 38.000 -0.017 0.000 1.289 350 I HN 0.287 nan 8.210 nan 0.000 0.441 351 K N 6.851 127.244 120.400 -0.010 0.000 2.471 351 K HA 0.269 4.589 4.320 0.000 0.000 0.252 351 K C -0.427 176.171 176.600 -0.003 0.000 0.938 351 K CA -0.776 55.536 56.287 0.042 0.000 0.796 351 K CB 1.590 34.186 32.500 0.159 0.000 1.161 351 K HN 0.553 nan 8.250 nan 0.000 0.425 352 K N 2.064 122.468 120.400 0.007 0.000 3.490 352 K HA -0.153 4.167 4.320 0.000 0.000 0.273 352 K C -1.496 175.093 176.600 -0.018 0.000 0.916 352 K CA 0.814 57.101 56.287 -0.000 0.000 0.718 352 K CB -1.076 31.430 32.500 0.010 0.000 1.477 352 K HN 0.607 nan 8.250 nan 0.000 0.452 353 S N -0.081 115.603 115.700 -0.027 0.000 2.546 353 S HA 0.412 4.882 4.470 0.000 0.000 0.274 353 S C -0.648 173.936 174.600 -0.027 0.000 1.121 353 S CA -0.525 57.652 58.200 -0.037 0.000 0.887 353 S CB 2.061 65.219 63.200 -0.070 0.000 1.094 353 S HN 0.391 nan 8.310 nan 0.000 0.474 354 T N -0.829 113.711 114.554 -0.023 0.000 2.859 354 T HA 0.776 5.126 4.350 0.000 0.000 0.281 354 T C -0.712 173.975 174.700 -0.021 0.000 1.005 354 T CA -0.691 61.398 62.100 -0.019 0.000 1.025 354 T CB 0.983 69.844 68.868 -0.012 0.000 0.977 354 T HN 0.320 nan 8.240 nan 0.000 0.458 355 V N 2.628 122.529 119.914 -0.021 0.000 2.482 355 V HA 0.681 4.801 4.120 0.000 0.000 0.295 355 V C 0.950 177.033 176.094 -0.017 0.000 1.026 355 V CA -0.805 61.483 62.300 -0.020 0.000 0.856 355 V CB 1.401 33.210 31.823 -0.023 0.000 1.001 355 V HN 1.263 nan 8.190 nan 0.000 0.424 356 G N 2.675 111.469 108.800 -0.011 0.000 2.599 356 G HA2 0.324 4.284 3.960 0.000 0.000 0.264 356 G HA3 0.324 4.284 3.960 0.000 0.000 0.264 356 G C -0.128 174.766 174.900 -0.010 0.000 1.200 356 G CA -0.548 44.546 45.100 -0.009 0.000 0.896 356 G HN 0.730 nan 8.290 nan 0.000 0.536 357 K N -0.285 120.109 120.400 -0.010 0.000 2.511 357 K HA 0.271 4.591 4.320 0.000 0.000 0.280 357 K C 1.367 177.966 176.600 -0.002 0.000 1.008 357 K CA 1.139 57.417 56.287 -0.014 0.000 1.050 357 K CB -0.164 32.331 32.500 -0.010 0.000 0.889 357 K HN 1.165 nan 8.250 nan 0.000 0.484 358 G N 2.290 111.083 108.800 -0.012 0.000 2.205 358 G HA2 -0.268 3.692 3.960 0.000 0.000 0.261 358 G HA3 -0.268 3.692 3.960 0.000 0.000 0.261 358 G C 0.034 174.983 174.900 0.081 0.000 0.980 358 G CA 0.374 45.494 45.100 0.033 0.000 0.632 358 G HN 0.631 nan 8.290 nan 0.000 0.533 359 S N 0.878 116.606 115.700 0.047 0.000 2.576 359 S HA 0.516 4.986 4.470 0.000 0.000 0.276 359 S C 0.386 175.049 174.600 0.105 0.000 1.339 359 S CA 0.480 58.716 58.200 0.060 0.000 1.039 359 S CB 0.980 64.193 63.200 0.023 0.000 0.902 359 S HN 0.765 nan 8.310 nan 0.000 0.516 360 K N -0.025 120.434 120.400 0.097 0.000 2.324 360 K HA 0.670 4.990 4.320 0.000 0.000 0.253 360 K C -1.701 174.927 176.600 0.045 0.000 0.932 360 K CA -0.885 55.465 56.287 0.106 0.000 0.799 360 K CB 1.488 34.035 32.500 0.078 0.000 1.154 360 K HN 0.280 nan 8.250 nan 0.000 0.425 361 V N 2.966 122.906 119.914 0.045 0.000 2.465 361 V HA 0.138 4.258 4.120 0.000 0.000 0.263 361 V C -0.455 175.661 176.094 0.037 0.000 0.981 361 V CA -0.822 61.499 62.300 0.035 0.000 0.838 361 V CB 0.548 32.381 31.823 0.018 0.000 1.068 361 V HN 0.840 nan 8.190 nan 0.000 0.458 362 N N 2.040 120.765 118.700 0.042 0.000 2.325 362 N HA 0.161 4.901 4.740 0.000 0.000 0.182 362 N C 0.179 175.564 175.510 -0.208 0.000 1.088 362 N CA 0.401 53.360 53.050 -0.152 0.000 0.879 362 N CB 0.320 38.589 38.487 -0.363 0.000 0.983 362 N HN 0.867 nan 8.380 nan 0.000 0.471 363 H N -1.576 117.514 119.070 0.033 0.000 3.086 363 H HA 0.216 4.772 4.556 0.000 0.000 0.353 363 H C -0.199 175.192 175.328 0.106 0.000 1.134 363 H CA -0.953 55.141 56.048 0.077 0.000 1.248 363 H CB 1.381 31.198 29.762 0.091 0.000 1.878 363 H HN -0.251 nan 8.280 nan 0.000 0.527 364 L N 1.044 122.453 121.223 0.310 0.000 3.660 364 L HA -0.201 4.139 4.340 0.000 0.000 0.440 364 L C -0.720 176.242 176.870 0.154 0.000 1.262 364 L CA 0.778 55.758 54.840 0.234 0.000 0.837 364 L CB -1.581 40.583 42.059 0.176 0.000 1.689 364 L HN 0.808 nan 8.230 nan 0.000 0.890 365 T N -1.235 113.416 114.554 0.161 0.000 2.912 365 T HA 0.540 4.890 4.350 0.000 0.000 0.299 365 T C -1.220 173.586 174.700 0.177 0.000 1.052 365 T CA -0.555 61.623 62.100 0.129 0.000 0.996 365 T CB 2.147 71.068 68.868 0.088 0.000 1.070 365 T HN 0.110 nan 8.240 nan 0.000 0.465 366 Y N 2.707 123.025 120.300 0.031 0.000 2.328 366 Y HA 0.668 5.218 4.550 -0.000 0.000 0.336 366 Y C -1.400 174.509 175.900 0.015 0.000 0.960 366 Y CA -1.047 57.067 58.100 0.024 0.000 1.134 366 Y CB 0.980 39.450 38.460 0.016 0.000 1.166 366 Y HN 0.375 nan 8.280 nan 0.000 0.464 367 V N 6.338 125.864 119.914 -0.647 0.000 2.376 367 V HA 0.760 4.880 4.120 0.000 0.000 0.287 367 V C 0.034 175.635 176.094 -0.822 0.000 1.015 367 V CA -0.336 61.604 62.300 -0.600 0.000 0.834 367 V CB 1.286 32.956 31.823 -0.254 0.000 1.001 367 V HN 1.003 nan 8.190 nan 0.000 0.428 368 G N 1.806 110.104 108.800 -0.836 0.000 2.571 368 G HA2 0.607 4.567 3.960 0.000 0.000 0.304 368 G HA3 0.607 4.567 3.960 0.000 0.000 0.304 368 G C -0.544 174.264 174.900 -0.152 0.000 1.314 368 G CA -0.486 44.359 45.100 -0.425 0.000 0.975 368 G HN 0.640 nan 8.290 nan 0.000 0.485 369 D N -0.210 120.153 120.400 -0.061 0.000 2.708 369 D HA -0.150 4.490 4.640 0.000 0.000 0.236 369 D C 0.307 176.596 176.300 -0.018 0.000 1.146 369 D CA 1.641 55.631 54.000 -0.017 0.000 0.662 369 D CB -0.992 39.816 40.800 0.014 0.000 1.059 369 D HN 0.308 nan 8.370 nan 0.000 0.428 370 S N -0.108 115.566 115.700 -0.043 0.000 2.568 370 S HA 0.486 4.956 4.470 0.000 0.000 0.293 370 S C -0.190 174.394 174.600 -0.026 0.000 1.089 370 S CA -0.895 57.282 58.200 -0.038 0.000 0.945 370 S CB 3.259 66.416 63.200 -0.073 0.000 1.077 370 S HN 0.285 nan 8.310 nan 0.000 0.485 371 E N 2.112 122.304 120.200 -0.015 0.000 2.191 371 E HA 0.539 4.889 4.350 0.000 0.000 0.263 371 E C -1.503 175.089 176.600 -0.012 0.000 0.881 371 E CA -0.458 55.936 56.400 -0.011 0.000 0.757 371 E CB 0.735 30.434 29.700 -0.001 0.000 1.147 371 E HN 0.540 nan 8.360 nan 0.000 0.414 372 I N 3.842 124.403 120.570 -0.015 0.000 2.465 372 I HA 0.389 4.559 4.170 0.000 0.000 0.291 372 I C 0.824 176.938 176.117 -0.006 0.000 1.014 372 I CA -0.845 60.447 61.300 -0.013 0.000 1.093 372 I CB 1.920 39.907 38.000 -0.021 0.000 1.267 372 I HN 0.668 nan 8.210 nan 0.000 0.431 373 G N 3.488 112.289 108.800 0.001 0.000 2.489 373 G HA2 0.337 4.297 3.960 0.000 0.000 0.271 373 G HA3 0.337 4.297 3.960 0.000 0.000 0.271 373 G C -0.104 174.801 174.900 0.007 0.000 1.427 373 G CA -0.359 44.743 45.100 0.005 0.000 1.057 373 G HN 0.654 nan 8.290 nan 0.000 0.532 374 S N -0.777 114.930 115.700 0.011 0.000 2.586 374 S HA 0.273 4.743 4.470 0.000 0.000 0.274 374 S C 0.340 174.955 174.600 0.025 0.000 1.281 374 S CA -0.321 57.888 58.200 0.015 0.000 1.035 374 S CB 1.163 64.370 63.200 0.013 0.000 0.962 374 S HN 0.637 nan 8.310 nan 0.000 0.512 375 N N -0.772 117.948 118.700 0.033 0.000 2.721 375 N HA -0.149 4.591 4.740 0.000 0.000 0.249 375 N C -0.629 174.913 175.510 0.053 0.000 1.072 375 N CA 0.763 53.842 53.050 0.047 0.000 0.710 375 N CB -2.248 36.266 38.487 0.045 0.000 0.993 375 N HN 0.655 nan 8.380 nan 0.000 0.547 376 C N 0.643 119.968 119.300 0.042 0.000 2.382 376 C HA 0.402 4.862 4.460 0.000 0.000 0.363 376 C C 1.166 176.172 174.990 0.026 0.000 1.213 376 C CA -0.777 58.262 59.018 0.035 0.000 2.363 376 C CB 1.334 29.082 27.740 0.013 0.000 2.397 376 C HN 0.368 nan 8.230 nan 0.000 0.573 377 N N 2.065 120.762 118.700 -0.005 0.000 2.569 377 N HA 0.340 5.080 4.740 0.000 0.000 0.254 377 N C -1.197 174.191 175.510 -0.203 0.000 1.004 377 N CA -0.337 52.672 53.050 -0.068 0.000 0.904 377 N CB 0.301 38.778 38.487 -0.017 0.000 1.165 377 N HN 0.441 nan 8.380 nan 0.000 0.513 378 I N 2.328 122.825 120.570 -0.122 0.000 2.297 378 I HA 0.309 4.479 4.170 0.000 0.000 0.291 378 I C 1.515 177.562 176.117 -0.117 0.000 1.033 378 I CA -0.674 60.549 61.300 -0.129 0.000 1.253 378 I CB 0.195 38.158 38.000 -0.061 0.000 1.396 378 I HN 0.362 nan 8.210 nan 0.000 0.476 379 G N 4.643 113.321 108.800 -0.204 0.000 2.667 379 G HA2 0.406 4.366 3.960 0.000 0.000 0.250 379 G HA3 0.406 4.366 3.960 0.000 0.000 0.250 379 G C 0.214 175.070 174.900 -0.074 0.000 1.212 379 G CA -0.377 44.623 45.100 -0.167 0.000 0.874 379 G HN 0.801 nan 8.290 nan 0.000 0.561 380 A N -0.786 121.956 122.820 -0.130 0.000 2.531 380 A HA 0.515 4.835 4.320 0.000 0.000 0.236 380 A C 1.687 179.227 177.584 -0.073 0.000 1.062 380 A CA 1.197 53.142 52.037 -0.154 0.000 0.760 380 A CB -0.344 18.368 19.000 -0.481 0.000 0.995 380 A HN 2.617 nan 8.150 nan 0.000 0.501 381 G N 0.651 109.444 108.800 -0.010 0.000 2.162 381 G HA2 -0.177 3.783 3.960 0.000 0.000 0.260 381 G HA3 -0.177 3.783 3.960 0.000 0.000 0.260 381 G C 0.288 175.193 174.900 0.008 0.000 0.976 381 G CA 0.210 45.311 45.100 0.003 0.000 0.655 381 G HN 1.366 nan 8.290 nan 0.000 0.533 382 V N 0.987 120.903 119.914 0.003 0.000 2.637 382 V HA 0.528 4.648 4.120 0.000 0.000 0.296 382 V C 0.805 176.917 176.094 0.031 0.000 1.046 382 V CA 0.397 62.696 62.300 -0.002 0.000 1.066 382 V CB 1.387 33.192 31.823 -0.031 0.000 0.968 382 V HN 0.323 nan 8.190 nan 0.000 0.483 383 I N 3.562 124.153 120.570 0.035 0.000 2.569 383 I HA 0.341 4.511 4.170 0.000 0.000 0.290 383 I C 0.055 176.206 176.117 0.056 0.000 1.088 383 I CA -0.472 60.882 61.300 0.088 0.000 1.047 383 I CB 2.552 40.613 38.000 0.101 0.000 1.237 383 I HN 0.678 nan 8.210 nan 0.000 0.421 384 T N 2.394 116.979 114.554 0.053 0.000 2.806 384 T HA 0.623 4.973 4.350 0.000 0.000 0.290 384 T C -0.150 174.623 174.700 0.122 0.000 0.966 384 T CA -0.600 61.514 62.100 0.023 0.000 1.060 384 T CB 0.943 69.764 68.868 -0.079 0.000 0.927 384 T HN 0.786 nan 8.240 nan 0.000 0.485 385 C N 1.997 121.329 119.300 0.053 0.000 3.318 385 C HA 0.793 5.253 4.460 0.000 0.000 0.329 385 C C -0.796 174.183 174.990 -0.018 0.000 1.449 385 C CA -1.070 57.972 59.018 0.040 0.000 1.397 385 C CB 1.087 28.825 27.740 -0.003 0.000 1.810 385 C HN 0.947 nan 8.230 nan 0.000 0.449 386 N N -1.104 117.577 118.700 -0.033 0.000 2.380 386 N HA 0.482 5.222 4.740 0.000 0.000 0.290 386 N C -1.556 173.894 175.510 -0.100 0.000 1.236 386 N CA -0.229 52.805 53.050 -0.026 0.000 0.780 386 N CB 1.549 40.075 38.487 0.065 0.000 1.438 386 N HN 0.766 nan 8.380 nan 0.000 0.491 387 Y N 0.201 120.563 120.300 0.103 0.000 2.426 387 Y HA -0.041 4.509 4.550 0.000 0.000 0.344 387 Y C 1.058 176.995 175.900 0.063 0.000 1.256 387 Y CA 0.027 58.174 58.100 0.079 0.000 1.451 387 Y CB 0.317 38.831 38.460 0.091 0.000 1.342 387 Y HN 0.453 nan 8.280 nan 0.000 0.600 388 D N 1.201 121.724 120.400 0.206 0.000 2.441 388 D HA 0.239 4.879 4.640 0.000 0.000 0.243 388 D C 0.161 176.538 176.300 0.128 0.000 1.257 388 D CA 0.401 54.474 54.000 0.122 0.000 1.027 388 D CB -0.484 40.370 40.800 0.089 0.000 1.084 388 D HN 0.676 nan 8.370 nan 0.000 0.514 389 G N 1.271 110.146 108.800 0.125 0.000 3.259 389 G HA2 0.647 4.607 3.960 0.000 0.000 0.178 389 G HA3 0.647 4.607 3.960 0.000 0.000 0.178 389 G C 0.057 174.994 174.900 0.061 0.000 1.129 389 G CA 0.045 45.215 45.100 0.116 0.000 0.816 389 G HN 0.500 nan 8.290 nan 0.000 0.634 390 A N -0.374 122.477 122.820 0.052 0.000 3.909 390 A HA 0.448 4.768 4.320 0.000 0.000 0.180 390 A C 0.934 178.460 177.584 -0.098 0.000 1.812 390 A CA -0.094 51.939 52.037 -0.006 0.000 1.557 390 A CB -0.911 18.097 19.000 0.013 0.000 1.216 390 A HN 0.656 nan 8.150 nan 0.000 0.386 391 N N -0.611 117.976 118.700 -0.188 0.000 2.231 391 N HA 0.190 4.930 4.740 0.000 0.000 0.223 391 N C -0.765 174.360 175.510 -0.642 0.000 1.329 391 N CA 0.301 53.141 53.050 -0.350 0.000 0.889 391 N CB 0.122 38.400 38.487 -0.349 0.000 1.125 391 N HN 0.195 nan 8.380 nan 0.000 0.447 392 K N 1.157 121.225 120.400 -0.553 0.000 2.367 392 K HA 0.333 4.653 4.320 0.000 0.000 0.263 392 K C -1.210 175.172 176.600 -0.363 0.000 1.000 392 K CA -0.184 55.865 56.287 -0.397 0.000 0.891 392 K CB 0.354 32.764 32.500 -0.151 0.000 1.117 392 K HN 0.276 nan 8.250 nan 0.000 0.443 393 F N 1.277 121.259 119.950 0.053 0.000 2.364 393 F HA 0.443 4.970 4.527 0.000 0.000 0.316 393 F C 0.939 176.759 175.800 0.033 0.000 1.133 393 F CA -0.681 57.347 58.000 0.046 0.000 1.051 393 F CB 0.863 39.901 39.000 0.064 0.000 1.342 393 F HN 0.072 nan 8.300 nan 0.000 0.507 394 K N 0.004 120.558 120.400 0.257 0.000 2.123 394 K HA 0.446 4.766 4.320 0.000 0.000 0.259 394 K C -1.015 175.641 176.600 0.092 0.000 0.960 394 K CA -0.713 55.649 56.287 0.125 0.000 0.872 394 K CB 1.675 34.233 32.500 0.095 0.000 1.079 394 K HN 0.474 nan 8.250 nan 0.000 0.440 395 T N 3.058 117.640 114.554 0.047 0.000 2.771 395 T HA 0.402 4.752 4.350 0.000 0.000 0.281 395 T C -0.359 174.349 174.700 0.013 0.000 0.982 395 T CA -0.616 61.499 62.100 0.025 0.000 0.978 395 T CB 0.426 69.295 68.868 0.002 0.000 0.930 395 T HN 0.253 nan 8.240 nan 0.000 0.447 396 I N 4.881 125.460 120.570 0.015 0.000 2.382 396 I HA 0.461 4.631 4.170 0.000 0.000 0.286 396 I C -0.201 175.920 176.117 0.007 0.000 1.002 396 I CA -0.767 60.539 61.300 0.010 0.000 1.135 396 I CB 1.174 39.183 38.000 0.015 0.000 1.288 396 I HN 0.582 nan 8.210 nan 0.000 0.448 397 I N 4.862 125.433 120.570 0.002 0.000 2.433 397 I HA 0.490 4.660 4.170 0.000 0.000 0.292 397 I C 1.043 177.164 176.117 0.007 0.000 1.001 397 I CA -0.405 60.897 61.300 0.004 0.000 1.119 397 I CB 2.125 40.123 38.000 -0.003 0.000 1.289 397 I HN 0.635 nan 8.210 nan 0.000 0.438 398 G N 4.306 113.113 108.800 0.013 0.000 2.485 398 G HA2 0.145 4.105 3.960 0.000 0.000 0.260 398 G HA3 0.145 4.105 3.960 0.000 0.000 0.260 398 G C -0.439 174.471 174.900 0.017 0.000 1.459 398 G CA -0.347 44.761 45.100 0.014 0.000 1.060 398 G HN 0.527 nan 8.290 nan 0.000 0.546 399 D N 0.250 120.662 120.400 0.019 0.000 2.283 399 D HA 0.251 4.891 4.640 0.000 0.000 0.248 399 D C -0.022 176.297 176.300 0.032 0.000 1.072 399 D CA -0.053 53.960 54.000 0.023 0.000 0.929 399 D CB 0.922 41.734 40.800 0.019 0.000 1.182 399 D HN 0.418 nan 8.370 nan 0.000 0.433 400 D N -0.253 120.170 120.400 0.039 0.000 2.772 400 D HA -0.146 4.494 4.640 0.000 0.000 0.233 400 D C -0.565 175.778 176.300 0.071 0.000 1.143 400 D CA 0.437 54.469 54.000 0.053 0.000 0.700 400 D CB -1.014 39.812 40.800 0.045 0.000 1.076 400 D HN 0.047 nan 8.370 nan 0.000 0.430 401 V N 0.857 120.813 119.914 0.070 0.000 2.481 401 V HA 0.401 4.521 4.120 0.000 0.000 0.286 401 V C 0.238 176.409 176.094 0.127 0.000 1.042 401 V CA -0.679 61.675 62.300 0.089 0.000 0.928 401 V CB 1.505 33.359 31.823 0.051 0.000 0.986 401 V HN 0.153 nan 8.190 nan 0.000 0.462 402 F N 5.477 125.435 119.950 0.014 0.000 2.385 402 F HA 0.625 5.152 4.527 0.000 0.000 0.360 402 F C -0.233 175.575 175.800 0.013 0.000 1.122 402 F CA -0.426 57.583 58.000 0.015 0.000 1.090 402 F CB 1.219 40.227 39.000 0.013 0.000 1.150 402 F HN 0.253 nan 8.300 nan 0.000 0.472 403 V N 6.799 126.477 119.914 -0.393 0.000 2.334 403 V HA 0.446 4.566 4.120 0.000 0.000 0.281 403 V C 0.759 176.574 176.094 -0.466 0.000 1.016 403 V CA -0.722 61.423 62.300 -0.258 0.000 0.832 403 V CB 0.751 32.484 31.823 -0.150 0.000 0.999 403 V HN 0.963 nan 8.190 nan 0.000 0.439 404 G N 3.339 112.022 108.800 -0.195 0.000 2.614 404 G HA2 0.262 4.222 3.960 0.000 0.000 0.239 404 G HA3 0.262 4.222 3.960 0.000 0.000 0.239 404 G C 0.316 175.164 174.900 -0.087 0.000 1.240 404 G CA -0.236 44.824 45.100 -0.067 0.000 0.842 404 G HN 0.669 nan 8.290 nan 0.000 0.584 405 S N -0.139 115.526 115.700 -0.057 0.000 2.558 405 S HA 0.119 4.589 4.470 0.000 0.000 0.291 405 S C 0.816 175.397 174.600 -0.031 0.000 1.306 405 S CA 0.864 59.029 58.200 -0.059 0.000 1.056 405 S CB 0.521 63.690 63.200 -0.053 0.000 0.836 405 S HN 0.850 nan 8.310 nan 0.000 0.504 406 D N 0.451 120.831 120.400 -0.033 0.000 2.981 406 D HA -0.145 4.495 4.640 0.000 0.000 0.223 406 D C -0.342 175.952 176.300 -0.010 0.000 1.151 406 D CA 1.102 55.091 54.000 -0.017 0.000 0.827 406 D CB -1.372 39.420 40.800 -0.014 0.000 1.101 406 D HN 0.509 nan 8.370 nan 0.000 0.426 407 T N 0.822 115.367 114.554 -0.015 0.000 2.856 407 T HA 0.442 4.792 4.350 0.000 0.000 0.292 407 T C 0.264 174.960 174.700 -0.008 0.000 0.980 407 T CA -0.380 61.715 62.100 -0.009 0.000 1.091 407 T CB 1.188 70.049 68.868 -0.012 0.000 0.936 407 T HN 0.023 nan 8.240 nan 0.000 0.503 408 Q N 2.393 122.189 119.800 -0.007 0.000 2.290 408 Q HA 0.530 4.870 4.340 0.000 0.000 0.259 408 Q C -0.793 175.197 176.000 -0.017 0.000 0.941 408 Q CA -0.273 55.524 55.803 -0.010 0.000 0.912 408 Q CB 1.296 30.023 28.738 -0.018 0.000 1.244 408 Q HN 0.520 nan 8.270 nan 0.000 0.441 409 L N 2.768 123.981 121.223 -0.017 0.000 2.262 409 L HA 0.441 4.781 4.340 0.000 0.000 0.288 409 L C -0.832 176.018 176.870 -0.033 0.000 1.035 409 L CA -0.960 53.870 54.840 -0.018 0.000 0.820 409 L CB 1.014 43.064 42.059 -0.015 0.000 1.204 409 L HN 0.374 nan 8.230 nan 0.000 0.424 410 V N 3.393 123.273 119.914 -0.056 0.000 2.320 410 V HA 0.414 4.534 4.120 0.000 0.000 0.265 410 V C 0.835 176.900 176.094 -0.050 0.000 1.048 410 V CA -0.579 61.638 62.300 -0.139 0.000 0.865 410 V CB 0.923 32.575 31.823 -0.285 0.000 1.043 410 V HN 0.835 nan 8.190 nan 0.000 0.474 411 A N 8.493 131.318 122.820 0.009 0.000 2.425 411 A HA 0.593 4.913 4.320 0.000 0.000 0.242 411 A C -2.075 175.653 177.584 0.239 0.000 1.077 411 A CA -1.051 51.059 52.037 0.121 0.000 0.781 411 A CB -0.046 19.051 19.000 0.161 0.000 1.020 411 A HN 0.636 nan 8.150 nan 0.000 0.494 412 P HA 0.401 nan 4.420 nan 0.000 0.281 412 P C -0.811 176.526 177.300 0.061 0.000 1.252 412 P CA 0.044 63.198 63.100 0.090 0.000 0.778 412 P CB 1.301 32.956 31.700 -0.076 0.000 0.895 413 V N 3.795 123.739 119.914 0.051 0.000 3.077 413 V HA 0.437 4.557 4.120 0.000 0.000 0.299 413 V C -1.422 174.687 176.094 0.026 0.000 1.276 413 V CA -0.813 61.508 62.300 0.036 0.000 0.993 413 V CB 2.722 34.569 31.823 0.040 0.000 1.076 413 V HN 0.443 nan 8.190 nan 0.000 0.434 414 K N 3.937 124.348 120.400 0.019 0.000 2.324 414 K HA 0.801 5.121 4.320 0.000 0.000 0.253 414 K C -1.669 174.941 176.600 0.016 0.000 0.932 414 K CA -0.767 55.529 56.287 0.016 0.000 0.799 414 K CB 2.547 35.055 32.500 0.012 0.000 1.154 414 K HN 0.423 nan 8.250 nan 0.000 0.425 415 V N 2.270 122.193 119.914 0.016 0.000 2.376 415 V HA 0.390 4.510 4.120 0.000 0.000 0.287 415 V C -0.080 176.025 176.094 0.019 0.000 1.015 415 V CA -0.830 61.482 62.300 0.019 0.000 0.834 415 V CB 1.286 33.121 31.823 0.020 0.000 1.001 415 V HN 0.971 nan 8.190 nan 0.000 0.428 416 A N 4.604 127.436 122.820 0.020 0.000 2.259 416 A HA 0.543 4.863 4.320 0.000 0.000 0.278 416 A C 0.444 178.042 177.584 0.023 0.000 1.107 416 A CA -0.521 51.527 52.037 0.018 0.000 0.828 416 A CB 0.111 19.121 19.000 0.016 0.000 1.111 416 A HN 0.786 nan 8.150 nan 0.000 0.498 417 N N -0.019 118.693 118.700 0.021 0.000 2.356 417 N HA 0.266 5.006 4.740 0.000 0.000 0.252 417 N C 1.176 176.703 175.510 0.028 0.000 1.241 417 N CA 1.692 54.756 53.050 0.024 0.000 0.861 417 N CB 0.345 38.843 38.487 0.019 0.000 1.075 417 N HN 1.354 nan 8.380 nan 0.000 0.461 418 G N -0.602 108.219 108.800 0.036 0.000 2.184 418 G HA2 -0.251 3.709 3.960 0.000 0.000 0.264 418 G HA3 -0.251 3.709 3.960 0.000 0.000 0.264 418 G C 0.347 175.275 174.900 0.046 0.000 0.975 418 G CA 0.451 45.575 45.100 0.039 0.000 0.642 418 G HN 0.951 nan 8.290 nan 0.000 0.536 419 A N -0.353 122.498 122.820 0.051 0.000 2.425 419 A HA 0.672 4.992 4.320 0.000 0.000 0.242 419 A C 0.570 178.210 177.584 0.094 0.000 1.077 419 A CA 1.336 53.407 52.037 0.057 0.000 0.781 419 A CB 0.488 19.517 19.000 0.049 0.000 1.020 419 A HN 0.884 nan 8.150 nan 0.000 0.494 420 T N 1.714 116.325 114.554 0.094 0.000 2.879 420 T HA 0.553 4.903 4.350 0.000 0.000 0.290 420 T C -0.603 174.187 174.700 0.150 0.000 0.993 420 T CA 0.056 62.245 62.100 0.147 0.000 0.975 420 T CB 0.610 69.506 68.868 0.046 0.000 0.981 420 T HN 0.438 nan 8.240 nan 0.000 0.439 421 I N 2.359 123.072 120.570 0.239 0.000 2.418 421 I HA 0.497 4.667 4.170 0.000 0.000 0.287 421 I C 1.077 177.327 176.117 0.221 0.000 1.008 421 I CA -0.816 60.582 61.300 0.164 0.000 1.104 421 I CB 1.700 39.759 38.000 0.099 0.000 1.264 421 I HN 0.726 nan 8.210 nan 0.000 0.438 422 G N 4.042 112.928 108.800 0.144 0.000 2.636 422 G HA2 0.455 4.415 3.960 0.000 0.000 0.246 422 G HA3 0.455 4.415 3.960 0.000 0.000 0.246 422 G C 0.153 175.124 174.900 0.118 0.000 1.216 422 G CA -0.359 44.825 45.100 0.138 0.000 0.854 422 G HN 0.794 nan 8.290 nan 0.000 0.572 423 A N -0.519 122.370 122.820 0.115 0.000 2.483 423 A HA 0.541 4.861 4.320 0.000 0.000 0.238 423 A C 1.605 179.213 177.584 0.040 0.000 1.070 423 A CA 1.057 53.135 52.037 0.068 0.000 0.770 423 A CB -0.239 18.799 19.000 0.063 0.000 1.008 423 A HN 2.625 nan 8.150 nan 0.000 0.497 424 G N 1.483 110.296 108.800 0.022 0.000 2.147 424 G HA2 -0.182 3.778 3.960 0.000 0.000 0.244 424 G HA3 -0.182 3.778 3.960 0.000 0.000 0.244 424 G C 0.338 175.246 174.900 0.014 0.000 1.005 424 G CA 0.548 45.655 45.100 0.013 0.000 0.713 424 G HN 1.149 nan 8.290 nan 0.000 0.515 425 T N 0.934 115.499 114.554 0.018 0.000 2.909 425 T HA 0.580 4.930 4.350 0.000 0.000 0.286 425 T C 0.334 175.040 174.700 0.011 0.000 1.002 425 T CA 0.383 62.494 62.100 0.019 0.000 1.074 425 T CB 1.472 70.357 68.868 0.029 0.000 0.984 425 T HN 0.163 nan 8.240 nan 0.000 0.495 426 T N 4.053 118.613 114.554 0.011 0.000 2.788 426 T HA 0.398 4.748 4.350 0.000 0.000 0.296 426 T C -0.145 174.561 174.700 0.011 0.000 1.009 426 T CA -0.566 61.537 62.100 0.005 0.000 0.949 426 T CB 0.095 68.966 68.868 0.004 0.000 0.946 426 T HN 0.305 nan 8.240 nan 0.000 0.453 427 I N 4.848 125.423 120.570 0.007 0.000 2.297 427 I HA 0.229 4.399 4.170 0.000 0.000 0.291 427 I C 1.591 177.719 176.117 0.019 0.000 1.033 427 I CA -0.193 61.117 61.300 0.016 0.000 1.253 427 I CB 0.794 38.802 38.000 0.015 0.000 1.396 427 I HN 0.738 nan 8.210 nan 0.000 0.476 428 T N 3.457 118.036 114.554 0.042 0.000 2.978 428 T HA 0.272 4.622 4.350 0.000 0.000 0.248 428 T C 0.934 175.682 174.700 0.081 0.000 1.018 428 T CA -0.158 61.990 62.100 0.081 0.000 1.026 428 T CB 0.472 69.418 68.868 0.130 0.000 1.032 428 T HN 0.389 nan 8.240 nan 0.000 0.485 429 R N 1.753 122.285 120.500 0.053 0.000 2.540 429 R HA 0.513 4.853 4.340 0.000 0.000 0.287 429 R C -1.130 175.188 176.300 0.030 0.000 0.980 429 R CA -0.934 55.189 56.100 0.039 0.000 0.966 429 R CB 0.631 30.949 30.300 0.030 0.000 1.106 429 R HN 0.172 nan 8.270 nan 0.000 0.480 430 D N 1.091 121.505 120.400 0.023 0.000 2.472 430 D HA 0.040 4.680 4.640 0.000 0.000 0.237 430 D C -0.410 175.901 176.300 0.019 0.000 1.141 430 D CA 0.370 54.381 54.000 0.018 0.000 0.875 430 D CB 0.791 41.598 40.800 0.012 0.000 1.192 430 D HN 0.017 nan 8.370 nan 0.000 0.450 431 V N 1.883 121.809 119.914 0.020 0.000 2.435 431 V HA 0.575 4.695 4.120 0.000 0.000 0.290 431 V C 1.076 177.181 176.094 0.019 0.000 1.030 431 V CA -0.783 61.530 62.300 0.021 0.000 0.881 431 V CB 1.645 33.484 31.823 0.027 0.000 0.983 431 V HN 0.581 nan 8.190 nan 0.000 0.445 432 G N 2.442 111.253 108.800 0.018 0.000 2.580 432 G HA2 0.413 4.373 3.960 0.000 0.000 0.278 432 G HA3 0.413 4.373 3.960 0.000 0.000 0.278 432 G C -0.220 174.690 174.900 0.017 0.000 1.212 432 G CA -0.459 44.650 45.100 0.015 0.000 0.939 432 G HN 0.804 nan 8.290 nan 0.000 0.513 433 E N 0.171 120.380 120.200 0.015 0.000 2.415 433 E HA -0.002 4.348 4.350 0.000 0.000 0.263 433 E C 0.095 176.704 176.600 0.016 0.000 0.995 433 E CA -0.144 56.266 56.400 0.016 0.000 0.915 433 E CB 0.083 29.791 29.700 0.013 0.000 0.951 433 E HN 0.439 nan 8.360 nan 0.000 0.449 434 N N 2.393 121.104 118.700 0.019 0.000 2.725 434 N HA -0.247 4.493 4.740 0.000 0.000 0.249 434 N C -0.976 174.543 175.510 0.015 0.000 1.103 434 N CA 1.320 54.379 53.050 0.017 0.000 0.707 434 N CB -1.112 37.382 38.487 0.011 0.000 1.043 434 N HN 0.719 nan 8.380 nan 0.000 0.553 435 E N 0.487 120.699 120.200 0.020 0.000 2.227 435 E HA 0.341 4.691 4.350 0.000 0.000 0.282 435 E C -0.516 176.099 176.600 0.025 0.000 1.015 435 E CA -0.741 55.671 56.400 0.019 0.000 0.823 435 E CB 0.706 30.418 29.700 0.020 0.000 1.081 435 E HN 0.203 nan 8.360 nan 0.000 0.396 436 L N 5.525 126.760 121.223 0.019 0.000 2.282 436 L HA 0.380 4.720 4.340 0.000 0.000 0.288 436 L C -1.525 175.359 176.870 0.024 0.000 1.033 436 L CA -0.555 54.298 54.840 0.021 0.000 0.807 436 L CB 1.534 43.596 42.059 0.005 0.000 1.209 436 L HN 0.323 nan 8.230 nan 0.000 0.423 437 V N 7.092 127.028 119.914 0.036 0.000 2.378 437 V HA 0.511 4.631 4.120 0.000 0.000 0.288 437 V C -0.048 176.069 176.094 0.039 0.000 1.016 437 V CA -0.340 61.981 62.300 0.034 0.000 0.840 437 V CB 1.322 33.167 31.823 0.037 0.000 0.994 437 V HN 0.650 nan 8.190 nan 0.000 0.431 438 I N 3.043 123.630 120.570 0.029 0.000 2.509 438 I HA 0.406 4.576 4.170 0.000 0.000 0.293 438 I C 0.349 176.481 176.117 0.025 0.000 1.020 438 I CA -0.370 60.948 61.300 0.029 0.000 1.088 438 I CB 2.444 40.456 38.000 0.020 0.000 1.267 438 I HN 0.444 nan 8.210 nan 0.000 0.430 439 T N 5.587 120.157 114.554 0.027 0.000 2.851 439 T HA 0.288 4.638 4.350 0.000 0.000 0.298 439 T C 0.163 174.874 174.700 0.018 0.000 0.977 439 T CA -0.357 61.756 62.100 0.021 0.000 1.126 439 T CB 0.227 69.107 68.868 0.021 0.000 0.916 439 T HN 0.397 nan 8.240 nan 0.000 0.529 440 R N 2.206 122.715 120.500 0.016 0.000 2.202 440 R HA 0.462 4.802 4.340 0.000 0.000 0.334 440 R C 0.020 176.329 176.300 0.014 0.000 1.036 440 R CA -0.634 55.475 56.100 0.014 0.000 0.878 440 R CB 0.627 30.935 30.300 0.012 0.000 1.067 440 R HN 0.507 nan 8.270 nan 0.000 0.457 441 V N -0.149 119.774 119.914 0.016 0.000 2.612 441 V HA 0.864 4.984 4.120 0.000 0.000 0.301 441 V C 0.012 176.116 176.094 0.017 0.000 1.046 441 V CA -1.039 61.268 62.300 0.013 0.000 0.946 441 V CB 1.744 33.574 31.823 0.012 0.000 1.003 441 V HN 0.759 nan 8.190 nan 0.000 0.459 442 A N 3.668 126.494 122.820 0.010 0.000 2.318 442 A HA 0.809 5.129 4.320 0.000 0.000 0.324 442 A C -0.353 177.232 177.584 0.002 0.000 1.170 442 A CA -0.686 51.359 52.037 0.014 0.000 0.810 442 A CB 1.087 20.091 19.000 0.006 0.000 1.198 442 A HN 0.961 nan 8.150 nan 0.000 0.484 443 Q N 1.112 120.924 119.800 0.020 0.000 2.397 443 Q HA 0.469 4.809 4.340 0.000 0.000 0.275 443 Q C -0.873 175.115 176.000 -0.020 0.000 1.090 443 Q CA -0.797 54.980 55.803 -0.042 0.000 0.809 443 Q CB 2.748 31.434 28.738 -0.086 0.000 1.362 443 Q HN 0.740 nan 8.270 nan 0.000 0.431 444 R N 1.417 121.849 120.500 -0.113 0.000 2.368 444 R HA 0.396 4.736 4.340 0.000 0.000 0.302 444 R C -0.716 175.453 176.300 -0.219 0.000 1.002 444 R CA -0.514 55.541 56.100 -0.076 0.000 0.929 444 R CB 1.050 31.300 30.300 -0.084 0.000 1.073 444 R HN 0.577 nan 8.270 nan 0.000 0.464 445 H N 3.715 122.761 119.070 -0.041 0.000 2.539 445 H HA 0.358 4.914 4.556 0.000 0.000 0.332 445 H C -0.286 175.023 175.328 -0.031 0.000 1.031 445 H CA -0.535 55.493 56.048 -0.034 0.000 1.206 445 H CB 1.689 31.442 29.762 -0.015 0.000 1.446 445 H HN 0.332 nan 8.280 nan 0.000 0.496 446 I N 4.181 124.766 120.570 0.026 0.000 2.382 446 I HA 0.076 4.246 4.170 0.000 0.000 0.286 446 I C -0.118 176.054 176.117 0.093 0.000 1.002 446 I CA -0.794 60.522 61.300 0.027 0.000 1.135 446 I CB 1.430 39.384 38.000 -0.076 0.000 1.288 446 I HN 0.332 nan 8.210 nan 0.000 0.448 447 Q N 3.824 123.689 119.800 0.108 0.000 2.260 447 Q HA 0.362 4.702 4.340 0.000 0.000 0.238 447 Q C 1.008 177.097 176.000 0.148 0.000 0.948 447 Q CA -0.047 55.828 55.803 0.118 0.000 0.895 447 Q CB 1.245 30.033 28.738 0.083 0.000 1.218 447 Q HN 0.936 nan 8.270 nan 0.000 0.470 448 G N 0.898 109.781 108.800 0.138 0.000 2.198 448 G HA2 -0.225 3.735 3.960 0.000 0.000 0.260 448 G HA3 -0.225 3.735 3.960 0.000 0.000 0.260 448 G C -0.494 174.506 174.900 0.166 0.000 1.025 448 G CA 0.094 45.264 45.100 0.117 0.000 0.769 448 G HN 0.633 nan 8.290 nan 0.000 0.507 449 W N 1.208 122.514 121.300 0.010 0.000 2.416 449 W HA 0.610 5.270 4.660 -0.000 0.000 0.318 449 W C 0.113 176.634 176.519 0.004 0.000 1.150 449 W CA -0.819 56.529 57.345 0.005 0.000 1.392 449 W CB 0.802 30.265 29.460 0.004 0.000 1.311 449 W HN 0.243 nan 8.180 nan 0.000 0.436 450 Q N 5.938 125.450 119.800 -0.481 0.000 2.322 450 Q HA 0.217 4.557 4.340 0.000 0.000 0.256 450 Q C 0.009 175.694 176.000 -0.527 0.000 0.960 450 Q CA -0.056 55.526 55.803 -0.368 0.000 0.934 450 Q CB 0.638 29.222 28.738 -0.257 0.000 1.200 450 Q HN 0.407 nan 8.270 nan 0.000 0.435 451 R N 4.478 124.816 120.500 -0.271 0.000 2.641 451 R HA 0.264 4.604 4.340 0.000 0.000 0.269 451 R C -2.008 174.207 176.300 -0.142 0.000 1.074 451 R CA -1.651 54.348 56.100 -0.167 0.000 1.133 451 R CB -0.295 29.992 30.300 -0.022 0.000 1.029 451 R HN 0.595 nan 8.270 nan 0.000 0.488 452 P HA -0.092 nan 4.420 nan 0.000 0.261 452 P C -0.461 176.804 177.300 -0.058 0.000 1.165 452 P CA 0.868 63.920 63.100 -0.079 0.000 0.759 452 P CB 0.250 31.921 31.700 -0.047 0.000 0.772 453 I N 2.161 122.697 120.570 -0.057 0.000 2.331 453 I HA 0.609 4.779 4.170 0.000 0.000 0.292 453 I C 0.855 176.954 176.117 -0.030 0.000 0.998 453 I CA 0.356 61.631 61.300 -0.042 0.000 1.267 453 I CB 0.745 38.718 38.000 -0.045 0.000 1.386 453 I HN 0.347 nan 8.210 nan 0.000 0.476 454 K N 0.000 120.386 120.400 -0.023 0.000 2.780 454 K HA 0.000 4.320 4.320 0.000 0.000 0.191 454 K CA 0.000 nan 56.287 nan 0.000 0.838 454 K CB 0.000 nan 32.500 nan 0.000 1.064 454 K HN 0.000 nan 8.250 nan 0.000 0.543