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 2v0l_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 0.002 0.000 0.988 4 K CA 0.000 56.289 56.287 0.003 0.000 0.838 4 K CB 0.000 32.503 32.500 0.006 0.000 1.064 5 A N 0.438 123.261 122.820 0.005 0.000 2.409 5 A HA 0.533 4.853 4.320 0.000 0.000 0.246 5 A C -0.527 177.057 177.584 0.000 0.000 1.099 5 A CA -0.158 51.881 52.037 0.003 0.000 0.789 5 A CB 0.120 19.127 19.000 0.011 0.000 1.053 5 A HN 0.644 nan 8.150 nan 0.000 0.503 6 L N -0.272 120.947 121.223 -0.006 0.000 2.445 6 L HA 0.719 5.059 4.340 0.000 0.000 0.262 6 L C -0.401 176.457 176.870 -0.020 0.000 0.974 6 L CA 0.224 55.055 54.840 -0.014 0.000 0.822 6 L CB 2.273 44.322 42.059 -0.017 0.000 1.339 6 L HN 0.641 nan 8.230 nan 0.000 0.409 7 S N 1.848 117.527 115.700 -0.034 0.000 2.632 7 S HA 0.984 5.454 4.470 0.000 0.000 0.289 7 S C -1.120 173.443 174.600 -0.062 0.000 1.115 7 S CA -0.222 57.956 58.200 -0.038 0.000 0.889 7 S CB 1.892 65.111 63.200 0.032 0.000 1.116 7 S HN 0.966 nan 8.310 nan 0.000 0.486 8 A N 1.063 123.848 122.820 -0.059 0.000 2.380 8 A HA 0.857 5.177 4.320 0.000 0.000 0.315 8 A C -1.245 176.342 177.584 0.005 0.000 1.101 8 A CA -0.613 51.390 52.037 -0.056 0.000 0.771 8 A CB 1.096 20.061 19.000 -0.059 0.000 1.287 8 A HN 0.580 nan 8.150 nan 0.000 0.436 9 V N 2.223 122.122 119.914 -0.026 0.000 2.495 9 V HA 0.459 4.579 4.120 0.000 0.000 0.298 9 V C -0.561 175.484 176.094 -0.082 0.000 1.031 9 V CA -0.161 62.147 62.300 0.013 0.000 0.871 9 V CB 1.338 33.167 31.823 0.009 0.000 0.988 9 V HN 0.699 nan 8.190 nan 0.000 0.432 10 I N 5.355 125.881 120.570 -0.073 0.000 2.389 10 I HA 0.364 4.534 4.170 0.000 0.000 0.288 10 I C -0.930 175.139 176.117 -0.080 0.000 0.999 10 I CA -0.697 60.541 61.300 -0.104 0.000 1.129 10 I CB 1.799 39.748 38.000 -0.086 0.000 1.288 10 I HN 0.348 nan 8.210 nan 0.000 0.444 11 L N 6.314 127.464 121.223 -0.122 0.000 2.315 11 L HA 0.437 4.778 4.340 0.000 0.000 0.283 11 L C 0.735 177.642 176.870 0.062 0.000 1.089 11 L CA 0.569 55.395 54.840 -0.023 0.000 0.833 11 L CB 1.145 43.187 42.059 -0.028 0.000 1.170 11 L HN 0.785 nan 8.230 nan 0.000 0.442 12 A N 3.020 125.894 122.820 0.089 0.000 2.524 12 A HA 0.606 4.926 4.320 0.000 0.000 0.267 12 A C 1.098 178.774 177.584 0.152 0.000 0.881 12 A CA 0.395 52.499 52.037 0.111 0.000 1.077 12 A CB 0.081 19.126 19.000 0.076 0.000 1.220 12 A HN 0.628 nan 8.150 nan 0.000 0.488 13 A N -0.154 122.756 122.820 0.151 0.000 2.238 13 A HA 0.509 4.829 4.320 0.000 0.000 0.210 13 A C 1.318 179.036 177.584 0.223 0.000 1.179 13 A CA 0.699 52.830 52.037 0.157 0.000 0.827 13 A CB -0.333 18.726 19.000 0.099 0.000 0.856 13 A HN 0.960 nan 8.150 nan 0.000 0.488 14 G N -0.540 108.375 108.800 0.191 0.000 2.442 14 G HA2 0.300 4.261 3.960 0.000 0.000 0.249 14 G HA3 0.300 4.261 3.960 0.000 0.000 0.249 14 G C 0.623 175.586 174.900 0.105 0.000 1.263 14 G CA -0.065 45.137 45.100 0.169 0.000 0.846 14 G HN 0.370 nan 8.290 nan 0.000 0.555 15 K N 1.343 121.690 120.400 -0.088 0.000 2.217 15 K HA 0.079 4.399 4.320 0.000 0.000 0.202 15 K C 1.562 178.093 176.600 -0.115 0.000 1.051 15 K CA 0.856 56.972 56.287 -0.284 0.000 0.952 15 K CB -0.268 31.801 32.500 -0.717 0.000 0.736 15 K HN 1.051 nan 8.250 nan 0.000 0.453 16 G N 1.321 110.077 108.800 -0.073 0.000 2.333 16 G HA2 -0.237 3.724 3.960 0.000 0.000 0.296 16 G HA3 -0.237 3.724 3.960 0.000 0.000 0.296 16 G C 0.394 175.218 174.900 -0.125 0.000 1.059 16 G CA 0.555 45.629 45.100 -0.043 0.000 1.050 16 G HN 0.361 nan 8.290 nan 0.000 0.508 17 T N 0.169 114.611 114.554 -0.187 0.000 2.759 17 T HA -0.102 4.248 4.350 0.000 0.000 0.269 17 T C 2.449 176.809 174.700 -0.565 0.000 1.042 17 T CA 1.437 63.367 62.100 -0.284 0.000 1.140 17 T CB -0.114 68.624 68.868 -0.216 0.000 0.864 17 T HN 0.490 nan 8.240 nan 0.000 0.455 18 R N 0.619 120.837 120.500 -0.470 0.000 2.323 18 R HA 0.202 4.543 4.340 0.000 0.000 0.198 18 R C 1.730 177.748 176.300 -0.469 0.000 0.988 18 R CA 0.299 56.038 56.100 -0.602 0.000 1.041 18 R CB -0.178 29.984 30.300 -0.230 0.000 0.926 18 R HN 0.436 nan 8.270 nan 0.000 0.476 19 M N -0.706 118.687 119.600 -0.345 0.000 2.558 19 M HA -0.004 4.477 4.480 0.000 0.000 0.255 19 M C -0.175 176.085 176.300 -0.068 0.000 1.113 19 M CA 0.319 55.495 55.300 -0.207 0.000 1.097 19 M CB -0.506 31.949 32.600 -0.241 0.000 1.426 19 M HN 0.058 nan 8.290 nan 0.000 0.488 20 Y N 0.536 120.829 120.300 -0.012 0.000 2.981 20 Y HA -0.228 4.323 4.550 0.000 0.000 0.204 20 Y C 0.601 176.516 175.900 0.026 0.000 1.265 20 Y CA 0.308 58.410 58.100 0.003 0.000 0.941 20 Y CB -1.878 36.579 38.460 -0.006 0.000 1.254 20 Y HN 0.245 nan 8.280 nan 0.000 0.469 21 S N -0.811 114.961 115.700 0.121 0.000 2.595 21 S HA 0.465 4.935 4.470 0.000 0.000 0.281 21 S C 0.523 175.184 174.600 0.100 0.000 1.117 21 S CA -0.826 57.463 58.200 0.148 0.000 0.873 21 S CB 1.512 64.889 63.200 0.295 0.000 1.108 21 S HN 0.228 nan 8.310 nan 0.000 0.477 22 D N 1.428 121.877 120.400 0.082 0.000 2.347 22 D HA 0.196 4.836 4.640 0.000 0.000 0.215 22 D C 0.375 176.681 176.300 0.009 0.000 0.976 22 D CA 0.613 54.639 54.000 0.044 0.000 0.884 22 D CB -0.026 40.798 40.800 0.039 0.000 0.915 22 D HN 0.408 nan 8.370 nan 0.000 0.526 23 L N 1.877 123.095 121.223 -0.008 0.000 2.399 23 L HA 0.276 4.616 4.340 0.000 0.000 0.266 23 L C -1.908 174.895 176.870 -0.112 0.000 1.114 23 L CA -1.782 52.980 54.840 -0.130 0.000 0.804 23 L CB 0.782 42.655 42.059 -0.310 0.000 1.146 23 L HN -0.167 nan 8.230 nan 0.000 0.451 24 P HA 0.046 nan 4.420 nan 0.000 0.274 24 P C -0.009 177.242 177.300 -0.081 0.000 1.246 24 P CA -0.483 62.592 63.100 -0.042 0.000 0.795 24 P CB 0.956 32.669 31.700 0.022 0.000 1.006 25 K N 0.799 121.222 120.400 0.038 0.000 2.034 25 K HA -0.165 4.155 4.320 0.000 0.000 0.214 25 K C 1.520 178.191 176.600 0.119 0.000 1.051 25 K CA 2.494 58.858 56.287 0.127 0.000 0.931 25 K CB -0.591 31.970 32.500 0.101 0.000 0.715 25 K HN 0.360 nan 8.250 nan 0.000 0.446 26 V N -1.049 118.897 119.914 0.053 0.000 3.573 26 V HA 0.018 4.138 4.120 0.000 0.000 0.270 26 V C 1.597 177.695 176.094 0.006 0.000 1.221 26 V CA 0.849 63.183 62.300 0.057 0.000 1.163 26 V CB -0.291 31.572 31.823 0.066 0.000 0.847 26 V HN 0.214 nan 8.190 nan 0.000 0.468 27 L N -0.340 120.815 121.223 -0.114 0.000 2.418 27 L HA 0.219 4.560 4.340 0.000 0.000 0.218 27 L C 0.935 177.729 176.870 -0.128 0.000 1.125 27 L CA 0.143 54.898 54.840 -0.141 0.000 0.835 27 L CB -0.506 41.403 42.059 -0.251 0.000 0.953 27 L HN 0.446 nan 8.230 nan 0.000 0.454 28 H N 0.281 119.369 119.070 0.030 0.000 2.897 28 H HA 0.046 4.602 4.556 0.000 0.000 0.347 28 H C 0.767 176.120 175.328 0.043 0.000 1.068 28 H CA 0.139 56.208 56.048 0.034 0.000 1.426 28 H CB 0.470 30.245 29.762 0.022 0.000 1.410 28 H HN 0.054 nan 8.280 nan 0.000 0.597 29 T N 1.243 115.895 114.554 0.164 0.000 2.909 29 T HA 0.436 4.786 4.350 0.000 0.000 0.289 29 T C 0.062 174.808 174.700 0.075 0.000 1.005 29 T CA -0.895 61.273 62.100 0.113 0.000 1.084 29 T CB 0.880 69.804 68.868 0.093 0.000 0.975 29 T HN 0.288 nan 8.240 nan 0.000 0.509 30 I N 1.731 122.334 120.570 0.056 0.000 2.436 30 I HA 0.481 4.652 4.170 0.000 0.000 0.289 30 I C 0.890 177.001 176.117 -0.010 0.000 1.010 30 I CA -0.663 60.595 61.300 -0.071 0.000 1.098 30 I CB 0.754 38.538 38.000 -0.359 0.000 1.266 30 I HN 1.171 nan 8.210 nan 0.000 0.434 31 A N 4.911 127.733 122.820 0.004 0.000 2.745 31 A HA -0.096 4.224 4.320 0.000 0.000 0.296 31 A C 1.423 179.060 177.584 0.088 0.000 1.500 31 A CA 1.335 53.425 52.037 0.088 0.000 0.766 31 A CB -1.882 17.228 19.000 0.183 0.000 1.030 31 A HN 2.055 nan 8.150 nan 0.000 0.489 32 G N -2.058 106.781 108.800 0.065 0.000 2.184 32 G HA2 -0.285 3.675 3.960 0.000 0.000 0.264 32 G HA3 -0.285 3.675 3.960 0.000 0.000 0.264 32 G C 0.087 175.008 174.900 0.035 0.000 0.975 32 G CA 1.372 46.500 45.100 0.048 0.000 0.642 32 G HN 1.273 nan 8.290 nan 0.000 0.536 33 K N 0.591 121.019 120.400 0.047 0.000 2.378 33 K HA 0.529 4.849 4.320 0.000 0.000 0.252 33 K C -2.680 173.951 176.600 0.051 0.000 0.931 33 K CA -2.431 53.841 56.287 -0.026 0.000 0.794 33 K CB 2.539 34.884 32.500 -0.257 0.000 1.181 33 K HN -0.113 nan 8.250 nan 0.000 0.425 34 P HA -0.046 nan 4.420 nan 0.000 0.263 34 P C 0.565 177.951 177.300 0.144 0.000 1.175 34 P CA 0.465 63.613 63.100 0.080 0.000 0.761 34 P CB 0.486 32.220 31.700 0.057 0.000 0.794 35 M N 2.566 122.259 119.600 0.154 0.000 2.082 35 M HA -0.193 4.287 4.480 0.000 0.000 0.258 35 M C 1.960 178.350 176.300 0.151 0.000 1.069 35 M CA 1.910 57.310 55.300 0.167 0.000 1.102 35 M CB -0.724 31.930 32.600 0.089 0.000 1.336 35 M HN 0.191 nan 8.290 nan 0.000 0.404 36 V N 0.351 120.316 119.914 0.086 0.000 2.490 36 V HA -0.270 3.851 4.120 0.000 0.000 0.250 36 V C 2.267 178.372 176.094 0.019 0.000 1.061 36 V CA 2.089 64.417 62.300 0.045 0.000 1.064 36 V CB -0.423 31.409 31.823 0.014 0.000 0.670 36 V HN 0.411 nan 8.190 nan 0.000 0.461 37 K N -0.403 119.998 120.400 0.003 0.000 2.097 37 K HA -0.188 4.133 4.320 0.000 0.000 0.206 37 K C 2.038 178.587 176.600 -0.085 0.000 1.049 37 K CA 1.904 58.151 56.287 -0.067 0.000 0.933 37 K CB -0.566 31.867 32.500 -0.112 0.000 0.717 37 K HN 0.685 nan 8.250 nan 0.000 0.442 38 H N -0.446 118.611 119.070 -0.022 0.000 2.319 38 H HA -0.100 4.456 4.556 0.000 0.000 0.299 38 H C 2.021 177.358 175.328 0.014 0.000 1.092 38 H CA 1.959 58.001 56.048 -0.009 0.000 1.302 38 H CB -0.106 29.629 29.762 -0.045 0.000 1.373 38 H HN 0.054 nan 8.280 nan 0.000 0.497 39 V N 1.158 121.151 119.914 0.132 0.000 2.358 39 V HA -0.196 3.924 4.120 0.000 0.000 0.246 39 V C 2.714 178.829 176.094 0.035 0.000 1.047 39 V CA 1.238 63.587 62.300 0.080 0.000 1.035 39 V CB -0.514 31.346 31.823 0.061 0.000 0.658 39 V HN 0.253 nan 8.190 nan 0.000 0.452 40 I N 0.358 120.927 120.570 -0.002 0.000 2.127 40 I HA -0.276 3.894 4.170 0.000 0.000 0.241 40 I C 2.377 178.498 176.117 0.007 0.000 1.075 40 I CA 1.828 63.107 61.300 -0.035 0.000 1.334 40 I CB -0.521 37.427 38.000 -0.086 0.000 1.040 40 I HN 0.315 nan 8.210 nan 0.000 0.405 41 D N 0.315 120.723 120.400 0.013 0.000 2.123 41 D HA -0.160 4.480 4.640 0.000 0.000 0.196 41 D C 2.214 178.571 176.300 0.095 0.000 0.992 41 D CA 1.696 55.727 54.000 0.052 0.000 0.833 41 D CB -0.448 40.368 40.800 0.027 0.000 0.954 41 D HN 0.287 nan 8.370 nan 0.000 0.455 42 T N 0.532 115.137 114.554 0.085 0.000 2.821 42 T HA -0.080 4.271 4.350 0.000 0.000 0.267 42 T C 1.976 176.710 174.700 0.058 0.000 1.046 42 T CA 1.334 63.483 62.100 0.083 0.000 1.139 42 T CB -0.211 68.714 68.868 0.095 0.000 0.871 42 T HN 0.198 nan 8.240 nan 0.000 0.454 43 A N 0.874 123.723 122.820 0.048 0.000 1.933 43 A HA -0.153 4.167 4.320 0.000 0.000 0.218 43 A C 2.005 179.611 177.584 0.037 0.000 1.175 43 A CA 2.099 54.151 52.037 0.025 0.000 0.628 43 A CB -0.816 18.183 19.000 -0.001 0.000 0.814 43 A HN 0.633 nan 8.150 nan 0.000 0.444 44 H N 0.571 119.622 119.070 -0.031 0.000 2.326 44 H HA -0.134 4.423 4.556 0.000 0.000 0.301 44 H C 2.258 177.576 175.328 -0.017 0.000 1.081 44 H CA 2.075 58.103 56.048 -0.033 0.000 1.334 44 H CB -0.222 29.518 29.762 -0.036 0.000 1.385 44 H HN 0.670 nan 8.280 nan 0.000 0.504 45 Q N -0.303 119.457 119.800 -0.066 0.000 2.369 45 Q HA -0.078 4.262 4.340 0.000 0.000 0.206 45 Q C 1.736 177.682 176.000 -0.090 0.000 0.963 45 Q CA 0.909 56.647 55.803 -0.109 0.000 0.894 45 Q CB -0.171 28.566 28.738 -0.002 0.000 0.965 45 Q HN 0.387 nan 8.270 nan 0.000 0.475 46 L N 0.752 121.939 121.223 -0.060 0.000 2.291 46 L HA 0.118 4.458 4.340 0.000 0.000 0.214 46 L C 1.232 178.061 176.870 -0.068 0.000 1.120 46 L CA 2.096 56.910 54.840 -0.043 0.000 0.799 46 L CB -0.318 41.731 42.059 -0.017 0.000 0.925 46 L HN 0.567 nan 8.230 nan 0.000 0.446 47 G N -1.786 106.941 108.800 -0.121 0.000 2.138 47 G HA2 -0.218 3.742 3.960 0.000 0.000 0.193 47 G HA3 -0.218 3.742 3.960 0.000 0.000 0.193 47 G C 0.386 175.236 174.900 -0.085 0.000 0.998 47 G CA 0.209 45.236 45.100 -0.123 0.000 0.668 47 G HN 0.273 nan 8.290 nan 0.000 0.516 48 S N -0.014 115.645 115.700 -0.069 0.000 2.525 48 S HA 0.292 4.763 4.470 0.000 0.000 0.285 48 S C 1.327 175.911 174.600 -0.027 0.000 1.283 48 S CA 0.588 58.763 58.200 -0.040 0.000 1.072 48 S CB 1.671 64.850 63.200 -0.035 0.000 0.867 48 S HN 0.587 nan 8.310 nan 0.000 0.492 49 E N 3.634 123.817 120.200 -0.028 0.000 2.051 49 E HA -0.057 4.293 4.350 0.000 0.000 0.189 49 E C -0.117 176.455 176.600 -0.047 0.000 0.979 49 E CA 0.805 57.194 56.400 -0.018 0.000 0.803 49 E CB 0.226 29.924 29.700 -0.003 0.000 0.761 49 E HN 0.719 nan 8.360 nan 0.000 0.451 50 N N -0.590 118.052 118.700 -0.096 0.000 2.292 50 N HA 0.447 5.187 4.740 0.000 0.000 0.303 50 N C -1.317 173.990 175.510 -0.340 0.000 1.140 50 N CA -0.565 52.339 53.050 -0.243 0.000 0.788 50 N CB 2.387 40.687 38.487 -0.312 0.000 1.361 50 N HN -0.033 nan 8.380 nan 0.000 0.489 51 I N 1.922 122.237 120.570 -0.424 0.000 2.448 51 I HA 0.182 4.353 4.170 0.000 0.000 0.281 51 I C -0.802 175.046 176.117 -0.449 0.000 1.027 51 I CA -0.676 60.410 61.300 -0.355 0.000 1.111 51 I CB 0.861 38.729 38.000 -0.221 0.000 1.236 51 I HN 0.426 nan 8.210 nan 0.000 0.452 52 H N 6.585 125.595 119.070 -0.099 0.000 2.705 52 H HA 0.259 4.815 4.556 0.000 0.000 0.291 52 H C -0.593 174.654 175.328 -0.134 0.000 1.085 52 H CA -0.700 55.284 56.048 -0.106 0.000 1.357 52 H CB 1.923 31.695 29.762 0.017 0.000 1.419 52 H HN 0.322 nan 8.280 nan 0.000 0.462 53 L N 5.775 126.912 121.223 -0.143 0.000 2.259 53 L HA 0.197 4.537 4.340 0.000 0.000 0.288 53 L C -0.555 176.317 176.870 0.004 0.000 1.051 53 L CA -0.545 54.184 54.840 -0.184 0.000 0.824 53 L CB 0.172 41.923 42.059 -0.512 0.000 1.206 53 L HN 0.408 nan 8.230 nan 0.000 0.429 54 I N 7.020 127.628 120.570 0.062 0.000 2.363 54 I HA 0.161 4.331 4.170 0.000 0.000 0.292 54 I C -0.073 176.175 176.117 0.218 0.000 1.075 54 I CA -0.178 61.202 61.300 0.133 0.000 1.333 54 I CB -0.672 37.366 38.000 0.063 0.000 1.415 54 I HN 0.567 nan 8.210 nan 0.000 0.502 55 Y N 4.233 124.570 120.300 0.061 0.000 2.633 55 Y HA 0.936 5.486 4.550 0.000 0.000 0.339 55 Y C 0.338 176.283 175.900 0.076 0.000 1.045 55 Y CA -1.046 57.112 58.100 0.096 0.000 1.098 55 Y CB 1.567 40.139 38.460 0.187 0.000 1.296 55 Y HN 0.525 nan 8.280 nan 0.000 0.494 56 G N -0.124 108.624 108.800 -0.087 0.000 3.410 56 G HA2 0.077 4.037 3.960 0.000 0.000 0.127 56 G HA3 0.077 4.037 3.960 0.000 0.000 0.127 56 G C -1.095 173.715 174.900 -0.150 0.000 1.332 56 G CA -0.542 44.405 45.100 -0.256 0.000 1.156 56 G HN 0.755 nan 8.290 nan 0.000 0.591 57 H N 0.616 119.692 119.070 0.011 0.000 2.897 57 H HA 0.399 4.955 4.556 0.000 0.000 0.347 57 H C 1.366 176.724 175.328 0.050 0.000 1.068 57 H CA 1.332 57.394 56.048 0.022 0.000 1.426 57 H CB 0.863 30.638 29.762 0.022 0.000 1.410 57 H HN 1.012 nan 8.280 nan 0.000 0.597 58 G N 2.269 111.167 108.800 0.164 0.000 2.283 58 G HA2 -0.326 3.634 3.960 0.000 0.000 0.280 58 G HA3 -0.326 3.634 3.960 0.000 0.000 0.280 58 G C 1.430 176.405 174.900 0.124 0.000 1.029 58 G CA 0.601 45.760 45.100 0.099 0.000 0.840 58 G HN 0.983 nan 8.290 nan 0.000 0.505 59 G N 0.061 108.950 108.800 0.149 0.000 2.476 59 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 59 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 59 G C 1.309 176.319 174.900 0.183 0.000 1.164 59 G CA 1.642 46.908 45.100 0.277 0.000 0.768 59 G HN 0.490 nan 8.290 nan 0.000 0.560 60 D N 0.298 120.746 120.400 0.080 0.000 2.123 60 D HA -0.065 4.576 4.640 0.000 0.000 0.196 60 D C 2.650 178.960 176.300 0.018 0.000 0.992 60 D CA 0.566 54.581 54.000 0.024 0.000 0.833 60 D CB -0.293 40.517 40.800 0.016 0.000 0.954 60 D HN 0.327 nan 8.370 nan 0.000 0.455 61 L N -0.178 121.056 121.223 0.018 0.000 2.093 61 L HA -0.102 4.238 4.340 0.000 0.000 0.208 61 L C 2.453 179.313 176.870 -0.016 0.000 1.085 61 L CA 0.549 55.370 54.840 -0.033 0.000 0.755 61 L CB -0.265 41.701 42.059 -0.155 0.000 0.904 61 L HN 0.062 nan 8.230 nan 0.000 0.435 62 M N -0.461 119.169 119.600 0.048 0.000 2.117 62 M HA -0.170 4.310 4.480 0.000 0.000 0.262 62 M C 2.432 178.814 176.300 0.138 0.000 1.065 62 M CA 1.719 57.106 55.300 0.146 0.000 1.114 62 M CB -0.965 31.807 32.600 0.285 0.000 1.361 62 M HN 0.249 nan 8.290 nan 0.000 0.408 63 R N -0.248 120.185 120.500 -0.111 0.000 2.075 63 R HA -0.091 4.249 4.340 0.000 0.000 0.232 63 R C 2.274 178.499 176.300 -0.126 0.000 1.126 63 R CA 2.052 57.917 56.100 -0.392 0.000 0.963 63 R CB -1.042 28.967 30.300 -0.486 0.000 0.858 63 R HN 0.550 nan 8.270 nan 0.000 0.435 64 T N -1.668 112.887 114.554 0.002 0.000 2.812 64 T HA -0.117 4.233 4.350 0.000 0.000 0.264 64 T C 1.650 176.410 174.700 0.100 0.000 1.042 64 T CA 1.208 63.340 62.100 0.053 0.000 1.140 64 T CB -0.401 68.526 68.868 0.098 0.000 0.870 64 T HN 0.248 nan 8.240 nan 0.000 0.445 65 H N 1.039 120.112 119.070 0.005 0.000 2.462 65 H HA 0.351 4.908 4.556 0.000 0.000 0.292 65 H C 1.271 176.623 175.328 0.039 0.000 1.049 65 H CA 0.712 56.770 56.048 0.018 0.000 1.334 65 H CB -0.160 29.613 29.762 0.018 0.000 1.404 65 H HN 0.339 nan 8.280 nan 0.000 0.544 66 L N -0.556 120.792 121.223 0.208 0.000 3.202 66 L HA 0.389 4.729 4.340 0.000 0.000 0.278 66 L C 1.756 178.767 176.870 0.235 0.000 1.268 66 L CA -0.032 54.928 54.840 0.200 0.000 1.034 66 L CB 0.465 42.667 42.059 0.239 0.000 1.407 66 L HN 0.137 nan 8.230 nan 0.000 0.581 67 A N 0.500 123.394 122.820 0.122 0.000 1.948 67 A HA -0.231 4.089 4.320 0.000 0.000 0.220 67 A C 1.904 179.538 177.584 0.084 0.000 1.177 67 A CA 2.068 54.145 52.037 0.066 0.000 0.636 67 A CB -0.361 18.630 19.000 -0.015 0.000 0.815 67 A HN 0.487 nan 8.150 nan 0.000 0.449 68 N N 0.063 118.794 118.700 0.053 0.000 2.322 68 N HA 0.041 4.781 4.740 0.000 0.000 0.194 68 N C -0.517 175.000 175.510 0.011 0.000 1.126 68 N CA 0.011 53.075 53.050 0.023 0.000 0.845 68 N CB 0.047 38.529 38.487 -0.008 0.000 0.976 68 N HN 0.290 nan 8.380 nan 0.000 0.475 69 E N 0.537 120.759 120.200 0.038 0.000 2.338 69 E HA 0.060 4.411 4.350 0.000 0.000 0.272 69 E C -0.175 176.388 176.600 -0.062 0.000 1.029 69 E CA 0.046 56.421 56.400 -0.043 0.000 0.872 69 E CB 0.586 30.234 29.700 -0.087 0.000 1.015 69 E HN 0.313 nan 8.360 nan 0.000 0.417 70 Q N 1.541 121.267 119.800 -0.123 0.000 2.844 70 Q HA 0.220 4.561 4.340 0.000 0.000 0.235 70 Q C -0.007 175.882 176.000 -0.184 0.000 1.336 70 Q CA -0.289 55.440 55.803 -0.124 0.000 1.026 70 Q CB -0.068 28.589 28.738 -0.135 0.000 1.513 70 Q HN 0.295 nan 8.270 nan 0.000 0.577 71 V N -1.483 118.284 119.914 -0.245 0.000 3.040 71 V HA 0.473 4.593 4.120 0.000 0.000 0.312 71 V C -0.739 175.122 176.094 -0.389 0.000 1.115 71 V CA -1.320 60.744 62.300 -0.393 0.000 0.998 71 V CB 2.273 33.730 31.823 -0.610 0.000 1.042 71 V HN 0.528 nan 8.190 nan 0.000 0.433 72 N N 1.774 120.253 118.700 -0.369 0.000 2.414 72 N HA 0.289 5.029 4.740 0.000 0.000 0.256 72 N C -1.392 173.974 175.510 -0.240 0.000 1.029 72 N CA -0.574 52.329 53.050 -0.244 0.000 0.948 72 N CB 0.697 39.049 38.487 -0.224 0.000 1.102 72 N HN 0.777 nan 8.380 nan 0.000 0.496 73 W N 4.195 125.436 121.300 -0.099 0.000 2.507 73 W HA 0.265 4.925 4.660 0.000 0.000 0.334 73 W C -0.372 176.239 176.519 0.155 0.000 1.165 73 W CA -0.605 56.713 57.345 -0.045 0.000 1.460 73 W CB 0.597 29.980 29.460 -0.128 0.000 1.404 73 W HN 0.125 nan 8.180 nan 0.000 0.435 74 V N 6.452 126.599 119.914 0.388 0.000 2.294 74 V HA 0.141 4.261 4.120 0.000 0.000 0.272 74 V C -0.210 176.049 176.094 0.276 0.000 1.027 74 V CA -0.978 61.491 62.300 0.283 0.000 0.823 74 V CB 0.587 32.501 31.823 0.152 0.000 1.030 74 V HN 0.201 nan 8.190 nan 0.000 0.457 75 L N 4.944 126.245 121.223 0.130 0.000 2.325 75 L HA 0.342 4.682 4.340 0.000 0.000 0.284 75 L C 0.310 177.082 176.870 -0.164 0.000 1.089 75 L CA 0.544 55.218 54.840 -0.277 0.000 0.836 75 L CB 0.920 42.796 42.059 -0.305 0.000 1.184 75 L HN 0.754 nan 8.230 nan 0.000 0.444 76 Q N 2.628 122.324 119.800 -0.173 0.000 2.377 76 Q HA 0.144 4.484 4.340 0.000 0.000 0.249 76 Q C 0.846 176.781 176.000 -0.108 0.000 1.005 76 Q CA 0.200 55.952 55.803 -0.085 0.000 0.912 76 Q CB 0.988 29.711 28.738 -0.025 0.000 1.223 76 Q HN 0.888 nan 8.270 nan 0.000 0.459 77 T N 0.656 115.167 114.554 -0.071 0.000 2.915 77 T HA -0.097 4.253 4.350 0.000 0.000 0.269 77 T C 0.029 174.683 174.700 -0.077 0.000 1.071 77 T CA 0.909 62.955 62.100 -0.088 0.000 1.132 77 T CB -0.007 68.829 68.868 -0.054 0.000 0.878 77 T HN 0.697 nan 8.240 nan 0.000 0.479 78 E N 0.386 120.576 120.200 -0.016 0.000 2.308 78 E HA 0.366 4.716 4.350 0.000 0.000 0.275 78 E C -1.402 175.206 176.600 0.013 0.000 0.890 78 E CA -0.938 55.446 56.400 -0.027 0.000 0.754 78 E CB 1.430 31.104 29.700 -0.044 0.000 1.207 78 E HN 0.163 nan 8.360 nan 0.000 0.426 79 Q N 2.370 122.180 119.800 0.016 0.000 2.553 79 Q HA 0.192 4.533 4.340 0.000 0.000 0.221 79 Q C 0.235 176.236 176.000 0.001 0.000 1.219 79 Q CA 0.021 55.858 55.803 0.056 0.000 0.955 79 Q CB 0.304 29.096 28.738 0.090 0.000 1.399 79 Q HN 0.541 nan 8.270 nan 0.000 0.551 80 L N 0.832 122.014 121.223 -0.068 0.000 2.653 80 L HA 0.343 4.683 4.340 0.000 0.000 0.231 80 L C 0.725 177.609 176.870 0.023 0.000 1.153 80 L CA -0.316 54.453 54.840 -0.119 0.000 0.933 80 L CB 0.026 41.836 42.059 -0.416 0.000 1.175 80 L HN 0.687 nan 8.230 nan 0.000 0.473 81 G N -0.530 108.296 108.800 0.042 0.000 2.362 81 G HA2 -0.155 3.805 3.960 0.000 0.000 0.656 81 G HA3 -0.155 3.805 3.960 0.000 0.000 0.656 81 G C 0.449 175.423 174.900 0.123 0.000 1.376 81 G CA -0.218 44.887 45.100 0.007 0.000 0.971 81 G HN 0.065 nan 8.290 nan 0.000 0.636 82 T N -1.557 113.074 114.554 0.128 0.000 2.833 82 T HA 0.151 4.501 4.350 0.000 0.000 0.269 82 T C 2.580 177.397 174.700 0.195 0.000 1.054 82 T CA 2.363 64.585 62.100 0.204 0.000 1.135 82 T CB -0.234 68.815 68.868 0.302 0.000 0.869 82 T HN 1.917 nan 8.240 nan 0.000 0.466 83 A N 1.359 124.309 122.820 0.217 0.000 1.898 83 A HA -0.067 4.253 4.320 0.000 0.000 0.216 83 A C 2.180 179.850 177.584 0.142 0.000 1.181 83 A CA 1.866 54.032 52.037 0.215 0.000 0.620 83 A CB -1.180 17.980 19.000 0.267 0.000 0.819 83 A HN 0.712 nan 8.150 nan 0.000 0.442 84 H N 0.137 119.224 119.070 0.028 0.000 2.352 84 H HA -0.014 4.542 4.556 0.000 0.000 0.299 84 H C 2.174 177.479 175.328 -0.038 0.000 1.097 84 H CA 2.008 58.012 56.048 -0.074 0.000 1.311 84 H CB -0.248 29.464 29.762 -0.084 0.000 1.377 84 H HN 0.393 nan 8.280 nan 0.000 0.504 85 A N -0.068 122.782 122.820 0.050 0.000 1.865 85 A HA -0.161 4.159 4.320 0.000 0.000 0.217 85 A C 2.705 180.251 177.584 -0.062 0.000 1.191 85 A CA 2.031 54.063 52.037 -0.008 0.000 0.623 85 A CB -1.071 17.972 19.000 0.072 0.000 0.826 85 A HN 0.333 nan 8.150 nan 0.000 0.444 86 V N 0.027 119.931 119.914 -0.017 0.000 2.407 86 V HA -0.301 3.820 4.120 0.000 0.000 0.248 86 V C 2.665 178.691 176.094 -0.113 0.000 1.055 86 V CA 2.242 64.525 62.300 -0.029 0.000 1.049 86 V CB -0.847 30.983 31.823 0.010 0.000 0.662 86 V HN 0.757 nan 8.190 nan 0.000 0.455 87 Q N -0.666 119.052 119.800 -0.137 0.000 2.291 87 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 87 Q C 2.312 178.124 176.000 -0.314 0.000 0.976 87 Q CA 1.096 56.768 55.803 -0.220 0.000 0.875 87 Q CB 0.012 28.639 28.738 -0.186 0.000 0.927 87 Q HN 0.603 nan 8.270 nan 0.000 0.450 88 Q N -0.696 118.924 119.800 -0.300 0.000 2.170 88 Q HA -0.124 4.216 4.340 0.000 0.000 0.203 88 Q C 1.637 177.531 176.000 -0.177 0.000 0.976 88 Q CA 1.455 57.113 55.803 -0.241 0.000 0.858 88 Q CB -0.077 28.551 28.738 -0.184 0.000 0.907 88 Q HN 0.451 nan 8.270 nan 0.000 0.433 89 A N 0.122 122.797 122.820 -0.241 0.000 2.195 89 A HA 0.309 4.629 4.320 0.000 0.000 0.210 89 A C 2.187 179.244 177.584 -0.878 0.000 1.165 89 A CA 0.835 52.704 52.037 -0.280 0.000 0.806 89 A CB -0.129 18.747 19.000 -0.207 0.000 0.847 89 A HN 0.278 nan 8.150 nan 0.000 0.482 90 A N 1.272 123.422 122.820 -1.116 0.000 1.940 90 A HA -0.047 4.273 4.320 0.000 0.000 0.219 90 A C 0.031 177.036 177.584 -0.965 0.000 1.176 90 A CA 1.816 52.912 52.037 -1.569 0.000 0.631 90 A CB -1.539 17.016 19.000 -0.742 0.000 0.814 90 A HN 0.427 nan 8.150 nan 0.000 0.446 91 P HA -0.129 nan 4.420 nan 0.000 0.221 91 P C 0.529 177.419 177.300 -0.684 0.000 1.145 91 P CA 0.967 63.643 63.100 -0.706 0.000 0.795 91 P CB -0.165 31.005 31.700 -0.882 0.000 0.775 92 F N -2.896 116.851 119.950 -0.338 0.000 2.727 92 F HA 0.217 4.744 4.527 0.000 0.000 0.302 92 F C 1.049 176.881 175.800 0.054 0.000 1.097 92 F CA -0.521 57.398 58.000 -0.135 0.000 1.330 92 F CB -0.822 38.106 39.000 -0.120 0.000 1.084 92 F HN -0.199 nan 8.300 nan 0.000 0.578 93 F N 1.991 121.934 119.950 -0.013 0.000 2.495 93 F HA 0.159 4.687 4.527 0.000 0.000 0.365 93 F C 0.953 176.776 175.800 0.038 0.000 1.090 93 F CA -0.931 57.082 58.000 0.021 0.000 1.235 93 F CB 0.434 39.425 39.000 -0.015 0.000 1.119 93 F HN -0.265 nan 8.300 nan 0.000 0.562 94 K N 2.871 123.419 120.400 0.247 0.000 2.298 94 K HA 0.006 4.326 4.320 0.000 0.000 0.280 94 K C 0.261 176.931 176.600 0.116 0.000 1.032 94 K CA -0.521 55.851 56.287 0.141 0.000 0.958 94 K CB 0.861 33.424 32.500 0.105 0.000 0.978 94 K HN 0.561 nan 8.250 nan 0.000 0.472 95 D N 2.027 122.473 120.400 0.077 0.000 2.133 95 D HA -0.164 4.476 4.640 0.000 0.000 0.195 95 D C 0.525 176.844 176.300 0.032 0.000 0.997 95 D CA 1.731 55.760 54.000 0.049 0.000 0.840 95 D CB 0.037 40.848 40.800 0.018 0.000 0.947 95 D HN 0.543 nan 8.370 nan 0.000 0.452 96 N N 0.141 118.859 118.700 0.029 0.000 2.273 96 N HA 0.070 4.810 4.740 0.000 0.000 0.231 96 N C -0.445 175.077 175.510 0.020 0.000 1.134 96 N CA -0.203 52.857 53.050 0.016 0.000 0.856 96 N CB 0.678 39.171 38.487 0.011 0.000 1.068 96 N HN 0.325 nan 8.380 nan 0.000 0.510 97 E N -0.371 119.846 120.200 0.029 0.000 2.222 97 E HA 0.300 4.650 4.350 0.000 0.000 0.272 97 E C -0.713 175.892 176.600 0.008 0.000 0.982 97 E CA -0.907 55.505 56.400 0.020 0.000 0.842 97 E CB 0.922 30.639 29.700 0.030 0.000 1.144 97 E HN -0.072 nan 8.360 nan 0.000 0.397 98 N N 2.056 120.758 118.700 0.004 0.000 2.525 98 N HA 0.226 4.966 4.740 0.000 0.000 0.271 98 N C -0.661 174.832 175.510 -0.027 0.000 1.194 98 N CA -0.049 53.006 53.050 0.009 0.000 0.964 98 N CB 0.637 39.133 38.487 0.015 0.000 1.126 98 N HN 0.461 nan 8.380 nan 0.000 0.452 99 I N 1.631 122.197 120.570 -0.006 0.000 2.466 99 I HA 0.244 4.415 4.170 0.000 0.000 0.289 99 I C -0.296 175.826 176.117 0.009 0.000 1.026 99 I CA -0.762 60.454 61.300 -0.139 0.000 1.078 99 I CB 1.628 39.308 38.000 -0.534 0.000 1.249 99 I HN 0.051 nan 8.210 nan 0.000 0.429 100 V N 7.964 127.851 119.914 -0.046 0.000 2.435 100 V HA 0.530 4.650 4.120 0.000 0.000 0.290 100 V C -0.522 175.542 176.094 -0.050 0.000 1.030 100 V CA -0.372 61.934 62.300 0.009 0.000 0.881 100 V CB 2.100 33.932 31.823 0.015 0.000 0.983 100 V HN 0.417 nan 8.190 nan 0.000 0.445 101 V N 8.307 128.213 119.914 -0.013 0.000 2.370 101 V HA 0.528 4.648 4.120 0.000 0.000 0.279 101 V C 0.013 176.019 176.094 -0.148 0.000 1.029 101 V CA -0.315 61.920 62.300 -0.108 0.000 0.870 101 V CB 1.123 32.908 31.823 -0.063 0.000 0.984 101 V HN 0.747 nan 8.190 nan 0.000 0.451 102 L N 4.416 125.480 121.223 -0.266 0.000 2.309 102 L HA 0.667 5.007 4.340 0.000 0.000 0.261 102 L C -1.376 175.217 176.870 -0.461 0.000 1.021 102 L CA -0.903 53.817 54.840 -0.199 0.000 0.823 102 L CB 2.359 44.392 42.059 -0.043 0.000 1.366 102 L HN 0.468 nan 8.230 nan 0.000 0.423 103 Y N -1.045 119.284 120.300 0.049 0.000 2.364 103 Y HA 0.352 4.902 4.550 0.000 0.000 0.340 103 Y C 1.065 176.992 175.900 0.045 0.000 0.975 103 Y CA -0.640 57.491 58.100 0.052 0.000 1.089 103 Y CB 1.924 40.419 38.460 0.058 0.000 1.192 103 Y HN 0.677 nan 8.280 nan 0.000 0.454 104 G N 0.756 109.643 108.800 0.146 0.000 2.471 104 G HA2 -0.210 3.750 3.960 0.000 0.000 0.219 104 G HA3 -0.210 3.750 3.960 0.000 0.000 0.219 104 G C 0.692 175.660 174.900 0.112 0.000 1.125 104 G CA 0.905 46.065 45.100 0.099 0.000 0.775 104 G HN 0.759 nan 8.290 nan 0.000 0.548 105 D N -0.167 120.316 120.400 0.139 0.000 2.358 105 D HA 0.381 5.022 4.640 0.000 0.000 0.224 105 D C 0.811 177.161 176.300 0.082 0.000 1.123 105 D CA 0.011 54.074 54.000 0.105 0.000 0.833 105 D CB 0.154 41.014 40.800 0.100 0.000 0.946 105 D HN 0.150 nan 8.370 nan 0.000 0.505 106 A N 1.864 124.746 122.820 0.103 0.000 2.978 106 A HA 0.439 4.760 4.320 0.000 0.000 0.341 106 A C -1.939 175.682 177.584 0.062 0.000 1.105 106 A CA -1.010 51.070 52.037 0.072 0.000 0.819 106 A CB 1.152 20.212 19.000 0.100 0.000 1.080 106 A HN -0.021 nan 8.150 nan 0.000 0.476 107 P HA 0.022 nan 4.420 nan 0.000 0.240 107 P C 0.875 178.173 177.300 -0.003 0.000 1.190 107 P CA 0.423 63.519 63.100 -0.008 0.000 0.781 107 P CB 0.248 31.856 31.700 -0.154 0.000 0.931 108 L N -1.009 120.231 121.223 0.028 0.000 2.558 108 L HA 0.150 4.491 4.340 0.000 0.000 0.225 108 L C 1.307 178.257 176.870 0.134 0.000 1.128 108 L CA -0.565 54.348 54.840 0.121 0.000 0.868 108 L CB -0.480 41.653 42.059 0.124 0.000 1.006 108 L HN -0.083 nan 8.230 nan 0.000 0.454 109 I N 1.541 122.169 120.570 0.096 0.000 2.752 109 I HA -0.076 4.095 4.170 0.000 0.000 0.289 109 I C 0.994 177.177 176.117 0.111 0.000 1.197 109 I CA 0.431 61.787 61.300 0.093 0.000 1.432 109 I CB 0.635 38.689 38.000 0.089 0.000 1.359 109 I HN 0.131 nan 8.210 nan 0.000 0.571 110 T N 3.693 118.308 114.554 0.101 0.000 2.934 110 T HA 0.291 4.641 4.350 0.000 0.000 0.283 110 T C 0.967 175.711 174.700 0.074 0.000 1.005 110 T CA -0.674 61.485 62.100 0.099 0.000 1.041 110 T CB 1.424 70.349 68.868 0.095 0.000 1.042 110 T HN 0.741 nan 8.240 nan 0.000 0.505 111 K N 0.733 121.174 120.400 0.068 0.000 2.063 111 K HA -0.235 4.085 4.320 0.000 0.000 0.208 111 K C 2.073 178.696 176.600 0.038 0.000 1.048 111 K CA 2.134 58.450 56.287 0.048 0.000 0.928 111 K CB -0.224 32.301 32.500 0.042 0.000 0.713 111 K HN 0.901 nan 8.250 nan 0.000 0.442 112 E N -0.321 119.904 120.200 0.040 0.000 2.072 112 E HA -0.140 4.210 4.350 0.000 0.000 0.191 112 E C 1.600 178.219 176.600 0.032 0.000 0.985 112 E CA 1.755 58.174 56.400 0.032 0.000 0.801 112 E CB -0.227 29.491 29.700 0.031 0.000 0.750 112 E HN 0.157 nan 8.360 nan 0.000 0.452 113 T N 1.181 115.759 114.554 0.040 0.000 2.777 113 T HA -0.042 4.308 4.350 0.000 0.000 0.266 113 T C 1.783 176.505 174.700 0.037 0.000 1.040 113 T CA 1.208 63.331 62.100 0.038 0.000 1.141 113 T CB -0.134 68.760 68.868 0.044 0.000 0.868 113 T HN 0.151 nan 8.240 nan 0.000 0.444 114 L N 0.477 121.724 121.223 0.041 0.000 2.217 114 L HA -0.004 4.336 4.340 0.000 0.000 0.211 114 L C 2.618 179.506 176.870 0.030 0.000 1.107 114 L CA 1.099 55.962 54.840 0.039 0.000 0.783 114 L CB -0.442 41.641 42.059 0.041 0.000 0.919 114 L HN 0.313 nan 8.230 nan 0.000 0.442 115 E N 0.252 120.467 120.200 0.025 0.000 2.072 115 E HA -0.209 4.141 4.350 0.000 0.000 0.191 115 E C 2.152 178.763 176.600 0.018 0.000 0.985 115 E CA 0.990 57.401 56.400 0.018 0.000 0.801 115 E CB 0.071 29.779 29.700 0.014 0.000 0.750 115 E HN 0.373 nan 8.360 nan 0.000 0.452 116 K N 0.519 120.931 120.400 0.020 0.000 2.063 116 K HA -0.185 4.135 4.320 0.000 0.000 0.208 116 K C 2.255 178.868 176.600 0.021 0.000 1.048 116 K CA 0.887 57.185 56.287 0.019 0.000 0.928 116 K CB -0.228 32.283 32.500 0.019 0.000 0.713 116 K HN 0.041 nan 8.250 nan 0.000 0.442 117 L N 1.563 122.802 121.223 0.027 0.000 2.012 117 L HA -0.164 4.176 4.340 0.000 0.000 0.210 117 L C 1.995 178.883 176.870 0.031 0.000 1.073 117 L CA 1.572 56.431 54.840 0.032 0.000 0.748 117 L CB -0.259 41.825 42.059 0.042 0.000 0.891 117 L HN 0.134 nan 8.230 nan 0.000 0.431 118 I N -0.569 120.019 120.570 0.029 0.000 2.286 118 I HA -0.278 3.893 4.170 0.000 0.000 0.248 118 I C 2.498 178.628 176.117 0.021 0.000 1.115 118 I CA 1.565 62.881 61.300 0.027 0.000 1.392 118 I CB -0.309 37.703 38.000 0.021 0.000 1.065 118 I HN 0.438 nan 8.210 nan 0.000 0.418 119 E N 1.287 121.497 120.200 0.017 0.000 2.150 119 E HA -0.197 4.153 4.350 0.000 0.000 0.193 119 E C 2.093 178.701 176.600 0.015 0.000 0.985 119 E CA 1.133 57.541 56.400 0.014 0.000 0.814 119 E CB 0.026 29.733 29.700 0.012 0.000 0.752 119 E HN 0.486 nan 8.360 nan 0.000 0.466 120 A N 0.917 123.747 122.820 0.017 0.000 2.169 120 A HA -0.007 4.314 4.320 0.000 0.000 0.212 120 A C 1.137 178.732 177.584 0.018 0.000 1.153 120 A CA -0.028 52.019 52.037 0.016 0.000 0.756 120 A CB -0.163 18.846 19.000 0.016 0.000 0.813 120 A HN 0.042 nan 8.150 nan 0.000 0.471 121 K N 2.133 122.546 120.400 0.022 0.000 2.402 121 K HA 0.150 4.470 4.320 0.000 0.000 0.285 121 K C -2.458 174.155 176.600 0.023 0.000 1.054 121 K CA -1.425 54.877 56.287 0.025 0.000 1.001 121 K CB 0.491 33.009 32.500 0.029 0.000 0.946 121 K HN 0.162 nan 8.250 nan 0.000 0.473 122 P HA 0.062 nan 4.420 nan 0.000 0.274 122 P C -0.704 176.613 177.300 0.028 0.000 1.231 122 P CA -0.296 62.818 63.100 0.024 0.000 0.790 122 P CB 0.643 32.358 31.700 0.025 0.000 0.951 123 E N 1.778 121.991 120.200 0.022 0.000 2.465 123 E HA -0.089 4.261 4.350 0.000 0.000 0.260 123 E C 0.251 176.868 176.600 0.028 0.000 0.980 123 E CA 0.121 56.532 56.400 0.018 0.000 0.927 123 E CB -0.232 29.475 29.700 0.012 0.000 0.934 123 E HN 0.333 nan 8.360 nan 0.000 0.459 124 N N 1.522 120.232 118.700 0.016 0.000 2.732 124 N HA -0.184 4.556 4.740 0.000 0.000 0.250 124 N C -0.146 175.437 175.510 0.121 0.000 1.097 124 N CA 1.166 54.227 53.050 0.018 0.000 0.812 124 N CB -1.294 37.202 38.487 0.015 0.000 1.148 124 N HN 0.584 nan 8.380 nan 0.000 0.572 125 G N -0.602 108.269 108.800 0.117 0.000 3.107 125 G HA2 0.836 4.796 3.960 0.000 0.000 0.232 125 G HA3 0.836 4.796 3.960 0.000 0.000 0.232 125 G C -0.401 174.581 174.900 0.137 0.000 1.339 125 G CA -0.598 44.599 45.100 0.161 0.000 1.033 125 G HN 0.111 nan 8.290 nan 0.000 0.567 126 I N 0.090 120.701 120.570 0.069 0.000 2.608 126 I HA 0.569 4.739 4.170 0.000 0.000 0.295 126 I C -0.093 176.036 176.117 0.019 0.000 1.049 126 I CA -0.988 60.329 61.300 0.028 0.000 1.063 126 I CB 2.454 40.438 38.000 -0.025 0.000 1.248 126 I HN 0.539 nan 8.210 nan 0.000 0.424 127 A N 6.009 128.848 122.820 0.030 0.000 2.271 127 A HA 0.751 5.071 4.320 0.000 0.000 0.317 127 A C -1.155 176.455 177.584 0.042 0.000 1.245 127 A CA -0.401 51.655 52.037 0.031 0.000 0.857 127 A CB 0.980 20.001 19.000 0.035 0.000 1.175 127 A HN 0.575 nan 8.150 nan 0.000 0.512 128 L N 3.238 124.480 121.223 0.032 0.000 2.313 128 L HA 0.638 4.979 4.340 0.000 0.000 0.283 128 L C -0.858 176.034 176.870 0.038 0.000 1.013 128 L CA -0.694 54.171 54.840 0.042 0.000 0.816 128 L CB 1.521 43.595 42.059 0.024 0.000 1.236 128 L HN 0.633 nan 8.230 nan 0.000 0.419 129 L N 5.291 126.545 121.223 0.052 0.000 2.313 129 L HA 0.559 4.899 4.340 0.000 0.000 0.282 129 L C 0.236 177.118 176.870 0.019 0.000 1.092 129 L CA 0.558 55.421 54.840 0.038 0.000 0.831 129 L CB 0.777 42.868 42.059 0.054 0.000 1.159 129 L HN 0.908 nan 8.230 nan 0.000 0.442 130 T N 2.085 116.640 114.554 0.002 0.000 2.940 130 T HA 0.790 5.140 4.350 0.000 0.000 0.288 130 T C -0.672 174.007 174.700 -0.035 0.000 1.045 130 T CA -0.836 61.253 62.100 -0.019 0.000 1.018 130 T CB 1.767 70.625 68.868 -0.017 0.000 1.151 130 T HN 0.501 nan 8.240 nan 0.000 0.529 131 V N 0.635 120.513 119.914 -0.061 0.000 2.932 131 V HA 0.488 4.608 4.120 0.000 0.000 0.307 131 V C -1.564 174.481 176.094 -0.083 0.000 1.147 131 V CA -1.061 61.194 62.300 -0.075 0.000 0.951 131 V CB 2.262 34.021 31.823 -0.107 0.000 1.031 131 V HN 1.068 nan 8.190 nan 0.000 0.426 132 N N 5.856 124.518 118.700 -0.064 0.000 2.419 132 N HA 0.611 5.351 4.740 0.000 0.000 0.264 132 N C -0.934 174.535 175.510 -0.069 0.000 1.031 132 N CA -0.317 52.699 53.050 -0.057 0.000 0.951 132 N CB 1.081 39.547 38.487 -0.035 0.000 1.101 132 N HN 0.513 nan 8.380 nan 0.000 0.488 133 L N 1.244 122.421 121.223 -0.076 0.000 2.334 133 L HA 0.321 4.661 4.340 0.000 0.000 0.272 133 L C 0.757 177.607 176.870 -0.033 0.000 1.020 133 L CA -0.601 54.195 54.840 -0.073 0.000 0.812 133 L CB 1.644 43.636 42.059 -0.112 0.000 1.264 133 L HN 0.491 nan 8.230 nan 0.000 0.439 134 D N 0.284 120.671 120.400 -0.022 0.000 2.162 134 D HA -0.092 4.549 4.640 0.000 0.000 0.203 134 D C 0.480 176.783 176.300 0.005 0.000 0.967 134 D CA 1.080 55.076 54.000 -0.007 0.000 0.840 134 D CB 0.338 41.135 40.800 -0.004 0.000 0.972 134 D HN 0.310 nan 8.370 nan 0.000 0.482 135 N N -0.257 118.452 118.700 0.015 0.000 2.706 135 N HA 0.172 4.912 4.740 0.000 0.000 0.240 135 N C -2.336 173.219 175.510 0.075 0.000 1.039 135 N CA -1.707 51.365 53.050 0.037 0.000 0.888 135 N CB 1.483 39.993 38.487 0.039 0.000 1.128 135 N HN -0.062 nan 8.380 nan 0.000 0.512 136 P HA 0.079 nan 4.420 nan 0.000 0.255 136 P C -0.278 177.146 177.300 0.206 0.000 1.301 136 P CA -0.034 63.149 63.100 0.139 0.000 0.817 136 P CB -0.152 31.588 31.700 0.066 0.000 1.259 137 T N 0.759 115.387 114.554 0.123 0.000 2.905 137 T HA 0.289 4.639 4.350 0.000 0.000 0.299 137 T C 1.527 176.212 174.700 -0.025 0.000 1.024 137 T CA 1.613 63.741 62.100 0.046 0.000 1.151 137 T CB -0.057 68.821 68.868 0.017 0.000 0.987 137 T HN 0.388 nan 8.240 nan 0.000 0.535 138 G N 2.465 111.205 108.800 -0.101 0.000 2.234 138 G HA2 -0.224 3.736 3.960 0.000 0.000 0.235 138 G HA3 -0.224 3.736 3.960 0.000 0.000 0.235 138 G C -0.100 174.591 174.900 -0.347 0.000 0.997 138 G CA -0.338 44.600 45.100 -0.269 0.000 0.623 138 G HN 0.694 nan 8.290 nan 0.000 0.514 139 Y N 0.899 121.174 120.300 -0.042 0.000 2.387 139 Y HA 0.558 5.108 4.550 0.000 0.000 0.330 139 Y C 1.221 177.089 175.900 -0.052 0.000 1.133 139 Y CA -0.275 57.796 58.100 -0.049 0.000 1.152 139 Y CB 1.594 40.028 38.460 -0.043 0.000 1.215 139 Y HN 0.276 nan 8.280 nan 0.000 0.466 140 G N 3.388 112.250 108.800 0.104 0.000 2.343 140 G HA2 0.228 4.188 3.960 0.000 0.000 0.254 140 G HA3 0.228 4.188 3.960 0.000 0.000 0.254 140 G C -0.321 174.599 174.900 0.032 0.000 1.277 140 G CA -0.804 44.312 45.100 0.028 0.000 0.909 140 G HN 0.387 nan 8.290 nan 0.000 0.502 141 R N 2.278 122.786 120.500 0.013 0.000 2.390 141 R HA 0.181 4.522 4.340 0.000 0.000 0.291 141 R C 0.126 176.423 176.300 -0.005 0.000 1.070 141 R CA -0.881 55.223 56.100 0.007 0.000 1.014 141 R CB 1.125 31.427 30.300 0.003 0.000 1.007 141 R HN 0.285 nan 8.270 nan 0.000 0.466 142 I N 4.556 125.121 120.570 -0.008 0.000 2.471 142 I HA 0.097 4.267 4.170 0.000 0.000 0.286 142 I C 0.523 176.632 176.117 -0.013 0.000 1.079 142 I CA -0.494 60.798 61.300 -0.012 0.000 1.398 142 I CB 0.272 38.264 38.000 -0.013 0.000 1.403 142 I HN 0.296 nan 8.210 nan 0.000 0.530 143 I N 7.275 127.835 120.570 -0.016 0.000 2.330 143 I HA 0.314 4.484 4.170 0.000 0.000 0.286 143 I C 0.583 176.690 176.117 -0.017 0.000 1.025 143 I CA -0.474 60.817 61.300 -0.016 0.000 1.197 143 I CB 0.406 38.395 38.000 -0.018 0.000 1.358 143 I HN 0.363 nan 8.210 nan 0.000 0.467 144 R N 4.965 125.457 120.500 -0.013 0.000 2.265 144 R HA 0.433 4.773 4.340 0.000 0.000 0.319 144 R C -0.340 175.953 176.300 -0.011 0.000 1.006 144 R CA -0.476 55.617 56.100 -0.012 0.000 0.880 144 R CB 1.639 31.933 30.300 -0.010 0.000 1.077 144 R HN 0.518 nan 8.270 nan 0.000 0.454 145 E N 3.048 123.241 120.200 -0.012 0.000 2.141 145 E HA 0.167 4.517 4.350 0.000 0.000 0.259 145 E C -0.532 176.063 176.600 -0.008 0.000 0.883 145 E CA -0.324 56.070 56.400 -0.010 0.000 0.744 145 E CB 0.941 30.634 29.700 -0.011 0.000 1.150 145 E HN 0.612 nan 8.360 nan 0.000 0.420 146 N N 1.362 120.058 118.700 -0.006 0.000 1.339 146 N HA -0.245 4.496 4.740 0.000 0.000 0.161 146 N C 0.647 176.154 175.510 -0.005 0.000 0.847 146 N CA 1.226 54.274 53.050 -0.005 0.000 1.038 146 N CB -0.902 37.582 38.487 -0.004 0.000 1.322 146 N HN 0.510 nan 8.380 nan 0.000 0.494 147 G N -0.014 108.784 108.800 -0.004 0.000 3.820 147 G HA2 0.464 4.424 3.960 0.000 0.000 0.293 147 G HA3 0.464 4.424 3.960 0.000 0.000 0.293 147 G C -0.795 174.103 174.900 -0.005 0.000 1.152 147 G CA -0.010 45.088 45.100 -0.003 0.000 0.921 147 G HN 0.462 nan 8.290 nan 0.000 0.544 148 N N -0.841 117.854 118.700 -0.008 0.000 2.229 148 N HA 0.484 5.224 4.740 0.000 0.000 0.298 148 N C -1.077 174.423 175.510 -0.017 0.000 1.114 148 N CA -0.828 52.215 53.050 -0.011 0.000 0.776 148 N CB 2.982 41.462 38.487 -0.012 0.000 1.501 148 N HN -0.164 nan 8.380 nan 0.000 0.474 149 V N 1.991 121.892 119.914 -0.022 0.000 2.432 149 V HA 0.077 4.197 4.120 0.000 0.000 0.271 149 V C 1.180 177.251 176.094 -0.039 0.000 1.046 149 V CA -0.248 62.035 62.300 -0.028 0.000 0.945 149 V CB 0.887 32.693 31.823 -0.029 0.000 0.992 149 V HN 0.714 nan 8.190 nan 0.000 0.471 150 V N 1.660 121.553 119.914 -0.036 0.000 3.621 150 V HA 0.782 4.902 4.120 0.000 0.000 0.263 150 V C 0.586 176.653 176.094 -0.045 0.000 1.272 150 V CA 0.629 62.905 62.300 -0.041 0.000 1.080 150 V CB 0.070 31.875 31.823 -0.030 0.000 0.816 150 V HN 0.941 nan 8.190 nan 0.000 0.451 151 A N 0.024 122.820 122.820 -0.040 0.000 2.594 151 A HA 0.796 5.116 4.320 0.000 0.000 0.296 151 A C -1.348 176.215 177.584 -0.034 0.000 1.061 151 A CA -0.496 51.517 52.037 -0.040 0.000 0.689 151 A CB 1.281 20.261 19.000 -0.034 0.000 1.280 151 A HN 0.249 nan 8.150 nan 0.000 0.406 152 I N 2.099 122.647 120.570 -0.037 0.000 2.359 152 I HA 0.348 4.518 4.170 0.000 0.000 0.284 152 I C -0.681 175.414 176.117 -0.036 0.000 1.018 152 I CA -0.764 60.517 61.300 -0.031 0.000 1.173 152 I CB 1.666 39.648 38.000 -0.030 0.000 1.326 152 I HN 0.335 nan 8.210 nan 0.000 0.462 153 V N 6.446 126.343 119.914 -0.029 0.000 2.364 153 V HA 0.229 4.349 4.120 0.000 0.000 0.272 153 V C 0.558 176.632 176.094 -0.034 0.000 1.036 153 V CA -0.747 61.534 62.300 -0.032 0.000 0.880 153 V CB 0.826 32.634 31.823 -0.024 0.000 0.991 153 V HN 0.576 nan 8.190 nan 0.000 0.460 154 E N 2.830 123.000 120.200 -0.051 0.000 2.391 154 E HA 0.024 4.375 4.350 0.000 0.000 0.255 154 E C 0.970 177.542 176.600 -0.047 0.000 1.187 154 E CA -0.212 56.151 56.400 -0.061 0.000 0.941 154 E CB 0.754 30.398 29.700 -0.094 0.000 1.010 154 E HN 0.676 nan 8.360 nan 0.000 0.458 155 Q N 1.818 121.587 119.800 -0.053 0.000 2.045 155 Q HA -0.247 4.093 4.340 0.000 0.000 0.206 155 Q C 1.311 177.288 176.000 -0.038 0.000 0.991 155 Q CA 2.600 58.377 55.803 -0.043 0.000 0.851 155 Q CB -0.110 28.592 28.738 -0.061 0.000 0.911 155 Q HN 0.404 nan 8.270 nan 0.000 0.418 156 K N -0.243 120.130 120.400 -0.044 0.000 2.486 156 K HA 0.020 4.340 4.320 0.000 0.000 0.194 156 K C 0.856 177.438 176.600 -0.030 0.000 1.033 156 K CA 1.227 57.492 56.287 -0.036 0.000 1.004 156 K CB 0.211 32.689 32.500 -0.037 0.000 0.798 156 K HN 0.228 nan 8.250 nan 0.000 0.495 157 D N 0.890 121.271 120.400 -0.032 0.000 2.388 157 D HA 0.111 4.752 4.640 0.000 0.000 0.208 157 D C 0.267 176.553 176.300 -0.022 0.000 1.035 157 D CA 0.213 54.197 54.000 -0.027 0.000 0.875 157 D CB 0.115 40.897 40.800 -0.031 0.000 0.984 157 D HN 0.245 nan 8.370 nan 0.000 0.508 158 A N 1.871 124.679 122.820 -0.021 0.000 2.477 158 A HA 0.194 4.514 4.320 0.000 0.000 0.246 158 A C 0.883 178.459 177.584 -0.014 0.000 1.078 158 A CA -0.418 51.609 52.037 -0.016 0.000 0.770 158 A CB -0.043 18.949 19.000 -0.014 0.000 1.011 158 A HN 0.293 nan 8.150 nan 0.000 0.494 159 N N 1.560 120.253 118.700 -0.012 0.000 2.328 159 N HA 0.348 5.088 4.740 0.000 0.000 0.277 159 N C 1.197 176.702 175.510 -0.008 0.000 1.286 159 N CA -0.129 52.916 53.050 -0.010 0.000 0.949 159 N CB 0.604 39.085 38.487 -0.009 0.000 1.136 159 N HN 0.481 nan 8.380 nan 0.000 0.550 160 A N 0.116 122.932 122.820 -0.007 0.000 1.877 160 A HA -0.258 4.062 4.320 0.000 0.000 0.216 160 A C 2.108 179.689 177.584 -0.005 0.000 1.186 160 A CA 1.926 53.960 52.037 -0.005 0.000 0.620 160 A CB -1.137 17.860 19.000 -0.005 0.000 0.822 160 A HN 0.919 nan 8.150 nan 0.000 0.443 161 E N -0.484 119.713 120.200 -0.005 0.000 2.152 161 E HA -0.210 4.140 4.350 0.000 0.000 0.192 161 E C 1.889 178.486 176.600 -0.004 0.000 0.983 161 E CA 1.138 57.535 56.400 -0.004 0.000 0.818 161 E CB -0.388 29.309 29.700 -0.005 0.000 0.758 161 E HN 0.743 nan 8.360 nan 0.000 0.467 162 Q N 0.004 119.801 119.800 -0.006 0.000 2.230 162 Q HA -0.056 4.285 4.340 0.000 0.000 0.202 162 Q C 1.935 177.934 176.000 -0.003 0.000 0.963 162 Q CA 0.555 56.355 55.803 -0.006 0.000 0.866 162 Q CB 0.062 28.795 28.738 -0.008 0.000 0.931 162 Q HN 0.230 nan 8.270 nan 0.000 0.452 163 L N 1.180 122.402 121.223 -0.003 0.000 2.191 163 L HA -0.141 4.199 4.340 0.000 0.000 0.212 163 L C 1.417 178.289 176.870 0.004 0.000 1.103 163 L CA 1.483 56.323 54.840 0.001 0.000 0.769 163 L CB -0.594 41.464 42.059 -0.002 0.000 0.908 163 L HN 0.219 nan 8.230 nan 0.000 0.438 164 N N -0.712 117.988 118.700 0.001 0.000 2.463 164 N HA 0.044 4.785 4.740 0.000 0.000 0.181 164 N C 0.628 176.138 175.510 0.001 0.000 1.078 164 N CA 0.182 53.233 53.050 0.001 0.000 0.902 164 N CB 0.069 38.556 38.487 -0.000 0.000 0.970 164 N HN 0.264 nan 8.380 nan 0.000 0.451 165 I N 1.532 122.102 120.570 0.001 0.000 2.683 165 I HA -0.068 4.102 4.170 0.000 0.000 0.286 165 I C 1.305 177.422 176.117 0.000 0.000 1.175 165 I CA 0.178 61.477 61.300 -0.001 0.000 1.429 165 I CB 0.704 38.702 38.000 -0.003 0.000 1.371 165 I HN -0.151 nan 8.210 nan 0.000 0.569 166 K N 4.506 124.903 120.400 -0.006 0.000 2.334 166 K HA 0.084 4.404 4.320 0.000 0.000 0.195 166 K C 0.519 177.105 176.600 -0.023 0.000 1.045 166 K CA 0.259 56.540 56.287 -0.011 0.000 1.004 166 K CB 0.064 32.556 32.500 -0.014 0.000 0.837 166 K HN 0.573 nan 8.250 nan 0.000 0.510 167 E N 1.673 121.860 120.200 -0.021 0.000 2.344 167 E HA 0.151 4.501 4.350 0.000 0.000 0.270 167 E C -1.060 175.523 176.600 -0.027 0.000 1.021 167 E CA -0.122 56.262 56.400 -0.028 0.000 0.887 167 E CB 0.738 30.426 29.700 -0.020 0.000 0.997 167 E HN -0.262 nan 8.360 nan 0.000 0.429 168 V N 4.086 123.971 119.914 -0.047 0.000 3.007 168 V HA 0.176 4.296 4.120 0.000 0.000 0.311 168 V C -0.499 175.566 176.094 -0.049 0.000 1.120 168 V CA -1.047 61.224 62.300 -0.047 0.000 0.980 168 V CB 2.321 34.079 31.823 -0.108 0.000 1.033 168 V HN 0.773 nan 8.190 nan 0.000 0.429 169 N N 1.127 119.817 118.700 -0.016 0.000 2.488 169 N HA 0.207 4.947 4.740 0.000 0.000 0.274 169 N C 0.882 176.381 175.510 -0.019 0.000 1.111 169 N CA 0.626 53.673 53.050 -0.004 0.000 0.974 169 N CB 1.693 40.190 38.487 0.017 0.000 1.089 169 N HN 0.819 nan 8.380 nan 0.000 0.465 170 T N 0.242 114.786 114.554 -0.017 0.000 3.037 170 T HA 0.254 4.605 4.350 0.000 0.000 0.252 170 T C 1.320 176.003 174.700 -0.029 0.000 1.073 170 T CA 0.514 62.590 62.100 -0.041 0.000 1.091 170 T CB -0.246 68.607 68.868 -0.025 0.000 0.935 170 T HN 0.707 nan 8.240 nan 0.000 0.488 171 G N 1.005 109.841 108.800 0.060 0.000 2.217 171 G HA2 -0.236 3.724 3.960 0.000 0.000 0.246 171 G HA3 -0.236 3.724 3.960 0.000 0.000 0.246 171 G C 0.249 175.368 174.900 0.366 0.000 0.990 171 G CA 0.235 45.436 45.100 0.168 0.000 0.627 171 G HN 1.489 nan 8.290 nan 0.000 0.522 172 V N 0.998 121.095 119.914 0.305 0.000 2.546 172 V HA 0.900 5.020 4.120 0.000 0.000 0.284 172 V C 0.113 176.324 176.094 0.194 0.000 1.050 172 V CA 0.389 62.872 62.300 0.305 0.000 0.981 172 V CB 1.170 33.150 31.823 0.261 0.000 0.990 172 V HN 1.164 nan 8.190 nan 0.000 0.474 173 M N 5.212 124.928 119.600 0.193 0.000 2.682 173 M HA 0.822 5.302 4.480 0.000 0.000 0.272 173 M C -2.066 174.356 176.300 0.203 0.000 1.232 173 M CA -0.796 54.610 55.300 0.177 0.000 0.849 173 M CB 2.176 34.892 32.600 0.193 0.000 1.695 173 M HN 0.357 nan 8.290 nan 0.000 0.481 174 V N 0.834 120.843 119.914 0.159 0.000 2.656 174 V HA 0.886 5.006 4.120 0.000 0.000 0.307 174 V C -0.672 175.486 176.094 0.107 0.000 1.051 174 V CA -0.277 62.121 62.300 0.164 0.000 0.893 174 V CB 1.787 33.666 31.823 0.094 0.000 0.999 174 V HN 0.953 nan 8.190 nan 0.000 0.426 175 S N 1.740 117.520 115.700 0.133 0.000 2.625 175 S HA 0.413 4.883 4.470 0.000 0.000 0.271 175 S C -1.743 172.885 174.600 0.047 0.000 1.161 175 S CA -0.773 57.392 58.200 -0.059 0.000 0.820 175 S CB 1.744 64.676 63.200 -0.447 0.000 1.137 175 S HN 1.011 nan 8.310 nan 0.000 0.470 176 D N 0.678 121.067 120.400 -0.019 0.000 2.344 176 D HA 0.216 4.856 4.640 0.000 0.000 0.244 176 D C 1.339 177.689 176.300 0.085 0.000 1.134 176 D CA 0.019 54.030 54.000 0.019 0.000 0.930 176 D CB 0.961 41.746 40.800 -0.024 0.000 1.175 176 D HN 0.603 nan 8.370 nan 0.000 0.437 177 G N 0.880 109.740 108.800 0.099 0.000 2.440 177 G HA2 -0.239 3.722 3.960 0.000 0.000 0.218 177 G HA3 -0.239 3.722 3.960 0.000 0.000 0.218 177 G C 1.542 176.563 174.900 0.203 0.000 1.154 177 G CA 1.287 46.508 45.100 0.201 0.000 0.767 177 G HN 0.667 nan 8.290 nan 0.000 0.552 178 A N 0.725 123.575 122.820 0.050 0.000 1.902 178 A HA 0.016 4.336 4.320 0.000 0.000 0.217 178 A C 2.716 180.201 177.584 -0.165 0.000 1.181 178 A CA 2.257 54.272 52.037 -0.037 0.000 0.623 178 A CB -0.624 18.332 19.000 -0.073 0.000 0.818 178 A HN 0.314 nan 8.150 nan 0.000 0.443 179 S N -0.851 114.669 115.700 -0.299 0.000 2.368 179 S HA -0.106 4.365 4.470 0.000 0.000 0.225 179 S C 1.622 175.901 174.600 -0.536 0.000 1.030 179 S CA 1.414 59.158 58.200 -0.759 0.000 0.999 179 S CB -0.516 62.136 63.200 -0.914 0.000 0.844 179 S HN 0.508 nan 8.310 nan 0.000 0.459 180 F N 1.998 121.897 119.950 -0.085 0.000 2.095 180 F HA -0.077 4.450 4.527 0.000 0.000 0.298 180 F C 2.256 178.124 175.800 0.113 0.000 1.104 180 F CA 1.148 59.236 58.000 0.147 0.000 1.232 180 F CB -0.400 38.770 39.000 0.283 0.000 0.987 180 F HN 0.102 nan 8.300 nan 0.000 0.475 181 K N 0.014 120.563 120.400 0.249 0.000 2.063 181 K HA -0.243 4.077 4.320 0.000 0.000 0.208 181 K C 2.142 178.758 176.600 0.028 0.000 1.048 181 K CA 1.714 58.057 56.287 0.093 0.000 0.928 181 K CB -0.253 32.262 32.500 0.025 0.000 0.713 181 K HN 0.189 nan 8.250 nan 0.000 0.442 182 K N 0.111 120.466 120.400 -0.075 0.000 2.001 182 K HA -0.151 4.169 4.320 0.000 0.000 0.208 182 K C 1.842 178.465 176.600 0.038 0.000 1.048 182 K CA 1.281 57.498 56.287 -0.116 0.000 0.932 182 K CB -0.019 32.280 32.500 -0.335 0.000 0.715 182 K HN 0.163 nan 8.250 nan 0.000 0.437 183 W N 1.306 122.644 121.300 0.064 0.000 2.418 183 W HA 0.001 4.661 4.660 0.000 0.000 0.292 183 W C 1.900 178.480 176.519 0.101 0.000 1.213 183 W CA 0.389 57.773 57.345 0.064 0.000 1.283 183 W CB -0.749 28.729 29.460 0.030 0.000 1.119 183 W HN 0.114 nan 8.180 nan 0.000 0.542 184 L N 0.432 121.864 121.223 0.347 0.000 2.083 184 L HA -0.172 4.168 4.340 0.000 0.000 0.209 184 L C 2.579 179.546 176.870 0.161 0.000 1.083 184 L CA 1.472 56.466 54.840 0.256 0.000 0.752 184 L CB -1.101 41.092 42.059 0.223 0.000 0.899 184 L HN -0.143 nan 8.230 nan 0.000 0.433 185 A N -0.309 122.587 122.820 0.125 0.000 2.121 185 A HA -0.123 4.198 4.320 0.000 0.000 0.218 185 A C 2.209 179.860 177.584 0.113 0.000 1.154 185 A CA 1.083 53.168 52.037 0.080 0.000 0.679 185 A CB -0.332 18.697 19.000 0.047 0.000 0.795 185 A HN 0.358 nan 8.150 nan 0.000 0.458 186 R N -0.648 119.949 120.500 0.162 0.000 2.334 186 R HA 0.176 4.516 4.340 0.000 0.000 0.216 186 R C -0.443 175.960 176.300 0.172 0.000 0.905 186 R CA -0.078 56.119 56.100 0.161 0.000 1.064 186 R CB 0.250 30.660 30.300 0.185 0.000 1.046 186 R HN 0.308 nan 8.270 nan 0.000 0.508 187 V N 1.232 121.270 119.914 0.207 0.000 2.555 187 V HA 0.262 4.382 4.120 0.000 0.000 0.286 187 V C 0.951 177.242 176.094 0.328 0.000 1.044 187 V CA -0.250 62.198 62.300 0.247 0.000 1.026 187 V CB 1.222 33.219 31.823 0.290 0.000 0.981 187 V HN 0.256 nan 8.190 nan 0.000 0.480 188 G N 2.730 111.663 108.800 0.222 0.000 2.601 188 G HA2 0.446 4.406 3.960 0.000 0.000 0.317 188 G HA3 0.446 4.406 3.960 0.000 0.000 0.317 188 G C 0.178 174.982 174.900 -0.159 0.000 1.246 188 G CA -0.522 44.655 45.100 0.129 0.000 1.012 188 G HN 0.734 nan 8.290 nan 0.000 0.494 189 N N -0.665 117.785 118.700 -0.416 0.000 2.351 189 N HA 0.010 4.750 4.740 0.000 0.000 0.254 189 N C -0.295 175.077 175.510 -0.231 0.000 1.241 189 N CA -0.613 52.109 53.050 -0.547 0.000 0.883 189 N CB 0.314 38.156 38.487 -1.074 0.000 1.202 189 N HN 0.262 nan 8.380 nan 0.000 0.512 190 N N 1.811 120.444 118.700 -0.111 0.000 2.739 190 N HA 0.059 4.799 4.740 0.000 0.000 0.266 190 N C -1.093 174.405 175.510 -0.020 0.000 1.168 190 N CA -0.026 52.992 53.050 -0.053 0.000 1.055 190 N CB -0.578 37.894 38.487 -0.025 0.000 1.393 190 N HN 0.597 nan 8.380 nan 0.000 0.514 191 N N -0.567 118.125 118.700 -0.014 0.000 3.116 191 N HA 0.359 5.099 4.740 0.000 0.000 0.244 191 N C 0.296 175.819 175.510 0.023 0.000 1.485 191 N CA -0.522 52.542 53.050 0.024 0.000 0.884 191 N CB 0.139 38.680 38.487 0.091 0.000 1.415 191 N HN -0.068 nan 8.380 nan 0.000 0.524 192 A N -0.621 122.217 122.820 0.030 0.000 1.978 192 A HA -0.193 4.127 4.320 0.000 0.000 0.220 192 A C 1.557 179.158 177.584 0.027 0.000 1.170 192 A CA 1.802 53.851 52.037 0.020 0.000 0.636 192 A CB -0.770 18.238 19.000 0.013 0.000 0.810 192 A HN 0.678 nan 8.150 nan 0.000 0.448 193 Q N -1.906 117.934 119.800 0.066 0.000 2.402 193 Q HA 0.328 4.668 4.340 0.000 0.000 0.206 193 Q C 1.195 177.184 176.000 -0.018 0.000 0.919 193 Q CA 0.763 56.596 55.803 0.051 0.000 0.923 193 Q CB 0.122 28.943 28.738 0.138 0.000 1.048 193 Q HN 0.924 nan 8.270 nan 0.000 0.515 194 G N 0.595 109.369 108.800 -0.043 0.000 2.176 194 G HA2 -0.297 3.663 3.960 0.000 0.000 0.252 194 G HA3 -0.297 3.663 3.960 0.000 0.000 0.252 194 G C -0.336 174.424 174.900 -0.233 0.000 1.024 194 G CA 0.244 45.270 45.100 -0.123 0.000 0.755 194 G HN 0.301 nan 8.290 nan 0.000 0.507 195 E N -1.203 118.825 120.200 -0.287 0.000 2.221 195 E HA 0.535 4.885 4.350 0.000 0.000 0.268 195 E C -0.732 175.559 176.600 -0.516 0.000 0.933 195 E CA -1.076 55.062 56.400 -0.437 0.000 0.809 195 E CB 1.010 30.325 29.700 -0.642 0.000 1.190 195 E HN 0.241 nan 8.360 nan 0.000 0.406 196 Y N 1.499 121.659 120.300 -0.233 0.000 2.556 196 Y HA 0.157 4.708 4.550 0.000 0.000 0.352 196 Y C -0.588 175.256 175.900 -0.093 0.000 1.006 196 Y CA -0.291 57.760 58.100 -0.081 0.000 1.277 196 Y CB -0.064 38.407 38.460 0.017 0.000 1.136 196 Y HN 0.374 nan 8.280 nan 0.000 0.523 197 Y N 2.636 123.039 120.300 0.172 0.000 2.316 197 Y HA 0.086 4.637 4.550 0.000 0.000 0.331 197 Y C 1.083 177.086 175.900 0.173 0.000 1.083 197 Y CA -0.650 57.540 58.100 0.150 0.000 1.206 197 Y CB 1.108 39.621 38.460 0.089 0.000 1.195 197 Y HN 0.571 nan 8.280 nan 0.000 0.497 198 L N 2.045 123.480 121.223 0.353 0.000 2.131 198 L HA -0.178 4.162 4.340 0.000 0.000 0.210 198 L C 1.988 179.007 176.870 0.249 0.000 1.092 198 L CA 1.940 56.963 54.840 0.306 0.000 0.759 198 L CB -0.801 41.451 42.059 0.321 0.000 0.903 198 L HN 0.815 nan 8.230 nan 0.000 0.435 199 T N -0.458 114.236 114.554 0.233 0.000 2.714 199 T HA -0.240 4.110 4.350 0.000 0.000 0.268 199 T C 1.326 176.070 174.700 0.073 0.000 1.036 199 T CA 1.731 63.905 62.100 0.123 0.000 1.148 199 T CB -0.463 68.435 68.868 0.050 0.000 0.856 199 T HN 0.399 nan 8.240 nan 0.000 0.462 200 D N 0.550 121.014 120.400 0.108 0.000 2.351 200 D HA 0.014 4.655 4.640 0.000 0.000 0.216 200 D C 1.754 178.043 176.300 -0.018 0.000 0.968 200 D CA 0.216 54.247 54.000 0.052 0.000 0.899 200 D CB -0.349 40.513 40.800 0.103 0.000 0.907 200 D HN 0.228 nan 8.370 nan 0.000 0.514 201 L N 0.133 121.354 121.223 -0.003 0.000 2.191 201 L HA -0.139 4.201 4.340 0.000 0.000 0.212 201 L C 1.919 178.582 176.870 -0.346 0.000 1.103 201 L CA 0.818 55.573 54.840 -0.143 0.000 0.769 201 L CB -0.231 41.823 42.059 -0.007 0.000 0.908 201 L HN 0.005 nan 8.230 nan 0.000 0.438 202 I N -0.770 119.680 120.570 -0.201 0.000 2.202 202 I HA -0.235 3.935 4.170 0.000 0.000 0.242 202 I C 2.556 178.531 176.117 -0.236 0.000 1.091 202 I CA 1.485 62.657 61.300 -0.214 0.000 1.368 202 I CB -0.964 36.972 38.000 -0.108 0.000 1.058 202 I HN 0.181 nan 8.210 nan 0.000 0.410 203 A N 0.113 122.829 122.820 -0.174 0.000 1.902 203 A HA -0.151 4.169 4.320 0.000 0.000 0.217 203 A C 2.327 179.784 177.584 -0.211 0.000 1.181 203 A CA 1.524 53.473 52.037 -0.147 0.000 0.623 203 A CB -0.967 17.982 19.000 -0.086 0.000 0.818 203 A HN 0.399 nan 8.150 nan 0.000 0.443 204 L N -0.865 120.177 121.223 -0.302 0.000 2.093 204 L HA -0.160 4.181 4.340 0.000 0.000 0.208 204 L C 3.076 179.556 176.870 -0.649 0.000 1.085 204 L CA 0.932 55.536 54.840 -0.393 0.000 0.755 204 L CB -0.496 41.320 42.059 -0.405 0.000 0.904 204 L HN 0.434 nan 8.230 nan 0.000 0.435 205 A N 0.099 122.333 122.820 -0.977 0.000 1.902 205 A HA -0.208 4.113 4.320 0.000 0.000 0.217 205 A C 2.094 179.494 177.584 -0.305 0.000 1.181 205 A CA 1.763 53.248 52.037 -0.920 0.000 0.623 205 A CB -0.562 17.878 19.000 -0.933 0.000 0.818 205 A HN 0.438 nan 8.150 nan 0.000 0.443 206 N N -0.289 118.266 118.700 -0.242 0.000 2.244 206 N HA -0.158 4.582 4.740 0.000 0.000 0.183 206 N C 1.879 177.348 175.510 -0.068 0.000 1.016 206 N CA 1.401 54.381 53.050 -0.117 0.000 0.866 206 N CB -0.307 38.119 38.487 -0.102 0.000 0.980 206 N HN 0.655 nan 8.380 nan 0.000 0.430 207 Q N 0.342 120.095 119.800 -0.079 0.000 2.181 207 Q HA -0.116 4.224 4.340 0.000 0.000 0.205 207 Q C 0.400 176.416 176.000 0.026 0.000 0.980 207 Q CA 1.064 56.854 55.803 -0.022 0.000 0.862 207 Q CB 0.029 28.756 28.738 -0.018 0.000 0.905 207 Q HN 0.247 nan 8.270 nan 0.000 0.429 208 D N -0.184 120.251 120.400 0.058 0.000 2.319 208 D HA 0.028 4.668 4.640 0.000 0.000 0.230 208 D C -0.514 175.848 176.300 0.102 0.000 1.094 208 D CA 0.033 54.116 54.000 0.137 0.000 0.856 208 D CB -0.153 40.840 40.800 0.322 0.000 0.915 208 D HN 0.098 nan 8.370 nan 0.000 0.517 209 N N -0.477 118.255 118.700 0.053 0.000 2.714 209 N HA -0.191 4.549 4.740 0.000 0.000 0.252 209 N C -1.216 174.330 175.510 0.060 0.000 1.014 209 N CA 0.391 53.465 53.050 0.040 0.000 0.735 209 N CB -1.317 37.192 38.487 0.036 0.000 0.924 209 N HN 0.203 nan 8.380 nan 0.000 0.540 210 C N 0.095 119.438 119.300 0.072 0.000 2.391 210 C HA 0.438 4.898 4.460 0.000 0.000 0.339 210 C C 0.799 175.809 174.990 0.034 0.000 1.205 210 C CA -0.886 58.194 59.018 0.103 0.000 1.937 210 C CB 1.662 29.562 27.740 0.267 0.000 2.341 210 C HN 0.400 nan 8.230 nan 0.000 0.516 211 Q N 1.265 121.090 119.800 0.041 0.000 2.267 211 Q HA 0.521 4.862 4.340 0.000 0.000 0.255 211 Q C -0.715 175.285 176.000 -0.000 0.000 0.923 211 Q CA -0.030 55.781 55.803 0.012 0.000 0.925 211 Q CB 1.345 30.094 28.738 0.019 0.000 1.195 211 Q HN 0.729 nan 8.270 nan 0.000 0.417 212 V N 4.392 124.290 119.914 -0.026 0.000 2.448 212 V HA 0.592 4.712 4.120 0.000 0.000 0.295 212 V C -1.131 174.954 176.094 -0.016 0.000 1.025 212 V CA -0.468 61.814 62.300 -0.030 0.000 0.859 212 V CB 1.763 33.546 31.823 -0.068 0.000 0.988 212 V HN 0.555 nan 8.190 nan 0.000 0.431 213 V N 6.507 126.419 119.914 -0.004 0.000 2.459 213 V HA 0.807 4.927 4.120 0.000 0.000 0.295 213 V C 0.653 176.749 176.094 0.003 0.000 1.029 213 V CA -0.054 62.246 62.300 0.000 0.000 0.874 213 V CB 1.612 33.439 31.823 0.007 0.000 0.985 213 V HN 1.240 nan 8.190 nan 0.000 0.438 214 A N 4.607 127.427 122.820 0.000 0.000 2.331 214 A HA 0.763 5.083 4.320 0.000 0.000 0.283 214 A C -0.594 176.994 177.584 0.006 0.000 1.142 214 A CA -0.359 51.679 52.037 0.002 0.000 0.812 214 A CB 0.894 19.893 19.000 -0.003 0.000 1.074 214 A HN 0.719 nan 8.150 nan 0.000 0.497 215 V N 3.540 123.460 119.914 0.009 0.000 2.443 215 V HA 0.245 4.365 4.120 0.000 0.000 0.293 215 V C -0.142 175.957 176.094 0.008 0.000 1.021 215 V CA -0.463 61.843 62.300 0.011 0.000 0.848 215 V CB 1.312 33.146 31.823 0.017 0.000 0.998 215 V HN 1.034 nan 8.190 nan 0.000 0.424 216 Q N 2.603 122.405 119.800 0.003 0.000 2.314 216 Q HA 0.629 4.969 4.340 0.000 0.000 0.258 216 Q C 0.311 176.312 176.000 0.001 0.000 0.954 216 Q CA -0.176 55.626 55.803 -0.003 0.000 0.890 216 Q CB 1.535 30.269 28.738 -0.006 0.000 1.210 216 Q HN 0.943 nan 8.270 nan 0.000 0.410 217 A N 1.807 124.625 122.820 -0.003 0.000 2.401 217 A HA 0.157 4.477 4.320 0.000 0.000 0.259 217 A C 1.170 178.755 177.584 0.001 0.000 1.103 217 A CA -0.136 51.902 52.037 0.002 0.000 0.789 217 A CB 0.332 19.328 19.000 -0.006 0.000 1.035 217 A HN 0.945 nan 8.150 nan 0.000 0.491 218 T N -0.096 114.466 114.554 0.013 0.000 2.746 218 T HA -0.072 4.278 4.350 0.000 0.000 0.267 218 T C 0.491 175.201 174.700 0.018 0.000 1.039 218 T CA 1.540 63.650 62.100 0.017 0.000 1.142 218 T CB -0.184 68.700 68.868 0.027 0.000 0.866 218 T HN 0.606 nan 8.240 nan 0.000 0.444 219 D N 0.233 120.647 120.400 0.023 0.000 2.278 219 D HA 0.374 5.014 4.640 0.000 0.000 0.245 219 D C 1.100 177.374 176.300 -0.042 0.000 1.052 219 D CA -0.542 53.469 54.000 0.018 0.000 0.834 219 D CB 2.369 43.220 40.800 0.086 0.000 1.194 219 D HN -0.052 nan 8.370 nan 0.000 0.481 220 V N 3.812 123.684 119.914 -0.070 0.000 2.407 220 V HA -0.215 3.905 4.120 0.000 0.000 0.248 220 V C 2.376 178.367 176.094 -0.171 0.000 1.055 220 V CA 1.194 63.428 62.300 -0.109 0.000 1.049 220 V CB -0.345 31.418 31.823 -0.100 0.000 0.662 220 V HN 0.670 nan 8.190 nan 0.000 0.455 221 M N -0.768 118.661 119.600 -0.285 0.000 2.296 221 M HA -0.136 4.344 4.480 0.000 0.000 0.265 221 M C 2.089 178.168 176.300 -0.369 0.000 1.064 221 M CA 1.213 56.232 55.300 -0.469 0.000 1.109 221 M CB -1.155 30.785 32.600 -1.099 0.000 1.396 221 M HN 0.461 nan 8.290 nan 0.000 0.430 222 E N 0.318 120.377 120.200 -0.235 0.000 2.097 222 E HA -0.178 4.172 4.350 0.000 0.000 0.196 222 E C 1.630 178.202 176.600 -0.046 0.000 1.000 222 E CA 1.892 58.248 56.400 -0.073 0.000 0.804 222 E CB 0.134 29.833 29.700 -0.002 0.000 0.740 222 E HN 0.478 nan 8.360 nan 0.000 0.454 223 V N -1.334 118.540 119.914 -0.067 0.000 3.647 223 V HA 0.167 4.287 4.120 0.000 0.000 0.279 223 V C 0.337 176.392 176.094 -0.066 0.000 1.314 223 V CA -0.140 62.134 62.300 -0.043 0.000 1.125 223 V CB 0.185 31.979 31.823 -0.049 0.000 0.907 223 V HN -0.039 nan 8.190 nan 0.000 0.434 224 E N 1.676 121.821 120.200 -0.092 0.000 2.344 224 E HA 0.529 4.879 4.350 0.000 0.000 0.270 224 E C 0.666 177.237 176.600 -0.048 0.000 1.021 224 E CA 0.756 57.105 56.400 -0.085 0.000 0.887 224 E CB 0.987 30.619 29.700 -0.114 0.000 0.997 224 E HN 0.602 nan 8.360 nan 0.000 0.429 225 G N 1.845 110.626 108.800 -0.032 0.000 2.511 225 G HA2 0.648 4.608 3.960 0.000 0.000 0.316 225 G HA3 0.648 4.608 3.960 0.000 0.000 0.316 225 G C -1.195 173.703 174.900 -0.003 0.000 1.210 225 G CA -0.285 44.810 45.100 -0.008 0.000 0.969 225 G HN 0.615 nan 8.290 nan 0.000 0.492 226 A N 0.165 122.990 122.820 0.009 0.000 2.332 226 A HA 0.562 4.882 4.320 0.000 0.000 0.300 226 A C 0.264 177.851 177.584 0.006 0.000 1.153 226 A CA -0.779 51.260 52.037 0.003 0.000 0.764 226 A CB 1.099 20.099 19.000 0.000 0.000 1.174 226 A HN 0.446 nan 8.150 nan 0.000 0.467 227 N N 1.113 119.810 118.700 -0.005 0.000 2.325 227 N HA 0.042 4.782 4.740 0.000 0.000 0.182 227 N C -0.062 175.420 175.510 -0.047 0.000 1.088 227 N CA 0.788 53.828 53.050 -0.017 0.000 0.879 227 N CB 0.240 38.718 38.487 -0.014 0.000 0.983 227 N HN 0.913 nan 8.380 nan 0.000 0.471 228 N N -1.614 117.059 118.700 -0.046 0.000 2.934 228 N HA 0.268 5.009 4.740 0.000 0.000 0.253 228 N C 0.081 175.551 175.510 -0.066 0.000 1.466 228 N CA -0.688 52.324 53.050 -0.064 0.000 0.858 228 N CB 1.157 39.628 38.487 -0.026 0.000 1.459 228 N HN -0.335 nan 8.380 nan 0.000 0.532 229 R N -0.863 119.596 120.500 -0.069 0.000 2.189 229 R HA 0.081 4.421 4.340 0.000 0.000 0.218 229 R C 1.318 177.605 176.300 -0.022 0.000 1.074 229 R CA 0.452 56.513 56.100 -0.066 0.000 0.991 229 R CB -0.505 29.756 30.300 -0.065 0.000 0.883 229 R HN 0.484 nan 8.270 nan 0.000 0.457 230 L N 1.470 122.690 121.223 -0.005 0.000 2.017 230 L HA -0.194 4.147 4.340 0.000 0.000 0.208 230 L C 2.047 178.921 176.870 0.006 0.000 1.073 230 L CA 1.840 56.684 54.840 0.007 0.000 0.745 230 L CB -0.320 41.748 42.059 0.014 0.000 0.894 230 L HN 0.090 nan 8.230 nan 0.000 0.432 231 Q N -0.887 118.913 119.800 0.000 0.000 2.119 231 Q HA -0.207 4.133 4.340 0.000 0.000 0.201 231 Q C 2.355 178.354 176.000 -0.000 0.000 0.972 231 Q CA 1.788 57.592 55.803 0.001 0.000 0.847 231 Q CB -0.278 28.458 28.738 -0.003 0.000 0.903 231 Q HN 0.555 nan 8.270 nan 0.000 0.433 232 L N 0.169 121.387 121.223 -0.009 0.000 2.046 232 L HA -0.179 4.161 4.340 0.000 0.000 0.208 232 L C 2.224 179.099 176.870 0.009 0.000 1.077 232 L CA 1.268 56.103 54.840 -0.007 0.000 0.747 232 L CB -0.282 41.763 42.059 -0.024 0.000 0.896 232 L HN 0.190 nan 8.230 nan 0.000 0.432 233 A N -0.578 122.251 122.820 0.014 0.000 1.969 233 A HA -0.122 4.198 4.320 0.000 0.000 0.218 233 A C 2.391 180.005 177.584 0.050 0.000 1.169 233 A CA 1.485 53.541 52.037 0.031 0.000 0.635 233 A CB -0.770 18.246 19.000 0.027 0.000 0.810 233 A HN 0.548 nan 8.150 nan 0.000 0.445 234 A N -0.556 122.291 122.820 0.044 0.000 1.898 234 A HA 0.052 4.372 4.320 0.000 0.000 0.216 234 A C 1.959 179.600 177.584 0.095 0.000 1.181 234 A CA 1.539 53.613 52.037 0.062 0.000 0.620 234 A CB -0.494 18.529 19.000 0.038 0.000 0.819 234 A HN 0.374 nan 8.150 nan 0.000 0.442 235 L N -0.070 121.192 121.223 0.066 0.000 2.042 235 L HA -0.168 4.172 4.340 0.000 0.000 0.210 235 L C 2.418 179.385 176.870 0.161 0.000 1.076 235 L CA 2.339 57.234 54.840 0.091 0.000 0.749 235 L CB -1.002 41.066 42.059 0.015 0.000 0.893 235 L HN 0.604 nan 8.230 nan 0.000 0.432 236 E N -0.036 120.226 120.200 0.102 0.000 2.058 236 E HA -0.280 4.070 4.350 0.000 0.000 0.194 236 E C 2.353 179.066 176.600 0.188 0.000 0.997 236 E CA 1.489 57.962 56.400 0.121 0.000 0.801 236 E CB -0.129 29.615 29.700 0.073 0.000 0.746 236 E HN 0.270 nan 8.360 nan 0.000 0.450 237 R N -0.428 120.165 120.500 0.154 0.000 2.081 237 R HA -0.182 4.159 4.340 0.000 0.000 0.235 237 R C 2.337 178.736 176.300 0.164 0.000 1.131 237 R CA 1.991 58.174 56.100 0.139 0.000 0.960 237 R CB -1.464 28.901 30.300 0.109 0.000 0.856 237 R HN 0.454 nan 8.270 nan 0.000 0.436 238 Y N -0.065 120.289 120.300 0.089 0.000 2.165 238 Y HA -0.199 4.352 4.550 0.000 0.000 0.286 238 Y C 1.838 177.805 175.900 0.112 0.000 1.155 238 Y CA 2.095 60.245 58.100 0.083 0.000 1.164 238 Y CB -0.539 37.964 38.460 0.072 0.000 0.978 238 Y HN 0.169 nan 8.280 nan 0.000 0.513 239 F N 0.860 120.859 119.950 0.082 0.000 2.102 239 F HA -0.236 4.291 4.527 0.000 0.000 0.298 239 F C 2.332 178.107 175.800 -0.041 0.000 1.105 239 F CA 1.915 59.915 58.000 0.001 0.000 1.239 239 F CB -0.471 38.558 39.000 0.049 0.000 0.991 239 F HN 0.070 nan 8.300 nan 0.000 0.474 240 Q N 0.140 120.016 119.800 0.127 0.000 2.084 240 Q HA -0.239 4.101 4.340 0.000 0.000 0.202 240 Q C 2.007 177.993 176.000 -0.022 0.000 0.978 240 Q CA 1.791 57.633 55.803 0.064 0.000 0.844 240 Q CB -1.147 27.666 28.738 0.124 0.000 0.898 240 Q HN 0.519 nan 8.270 nan 0.000 0.426 241 N N 1.087 119.752 118.700 -0.058 0.000 2.104 241 N HA -0.193 4.547 4.740 0.000 0.000 0.190 241 N C 1.662 177.054 175.510 -0.196 0.000 1.024 241 N CA 1.660 54.649 53.050 -0.102 0.000 0.853 241 N CB -0.016 38.408 38.487 -0.104 0.000 1.008 241 N HN 0.150 nan 8.380 nan 0.000 0.424 242 K N 0.061 120.256 120.400 -0.342 0.000 2.097 242 K HA -0.132 4.188 4.320 0.000 0.000 0.205 242 K C 1.985 178.410 176.600 -0.291 0.000 1.050 242 K CA 1.164 57.230 56.287 -0.369 0.000 0.938 242 K CB -0.047 32.139 32.500 -0.524 0.000 0.718 242 K HN 0.361 nan 8.250 nan 0.000 0.442 243 Q N -0.316 119.289 119.800 -0.324 0.000 2.079 243 Q HA -0.112 4.228 4.340 0.000 0.000 0.200 243 Q C 2.102 178.038 176.000 -0.108 0.000 0.974 243 Q CA 1.436 57.103 55.803 -0.227 0.000 0.840 243 Q CB -0.079 28.537 28.738 -0.204 0.000 0.898 243 Q HN 0.420 nan 8.270 nan 0.000 0.430 244 A N 0.319 123.097 122.820 -0.071 0.000 1.898 244 A HA -0.150 4.170 4.320 0.000 0.000 0.216 244 A C 2.253 179.730 177.584 -0.178 0.000 1.181 244 A CA 1.602 53.557 52.037 -0.137 0.000 0.620 244 A CB -0.419 18.543 19.000 -0.062 0.000 0.819 244 A HN 0.246 nan 8.150 nan 0.000 0.442 245 S N -0.402 115.211 115.700 -0.144 0.000 2.368 245 S HA -0.159 4.311 4.470 0.000 0.000 0.225 245 S C 1.985 176.512 174.600 -0.121 0.000 1.030 245 S CA 1.552 59.674 58.200 -0.130 0.000 0.999 245 S CB -0.237 62.891 63.200 -0.121 0.000 0.844 245 S HN 0.669 nan 8.310 nan 0.000 0.459 246 K N 1.099 121.427 120.400 -0.120 0.000 2.057 246 K HA -0.049 4.271 4.320 0.000 0.000 0.207 246 K C 1.997 178.541 176.600 -0.093 0.000 1.049 246 K CA 1.089 57.321 56.287 -0.091 0.000 0.931 246 K CB -0.255 32.195 32.500 -0.083 0.000 0.714 246 K HN 0.284 nan 8.250 nan 0.000 0.440 247 L N 0.821 121.958 121.223 -0.143 0.000 2.056 247 L HA -0.190 4.150 4.340 0.000 0.000 0.207 247 L C 2.397 179.133 176.870 -0.222 0.000 1.078 247 L CA 0.915 55.625 54.840 -0.217 0.000 0.749 247 L CB -0.320 41.548 42.059 -0.318 0.000 0.901 247 L HN 0.201 nan 8.230 nan 0.000 0.433 248 L N -0.651 120.450 121.223 -0.203 0.000 2.046 248 L HA -0.232 4.108 4.340 0.000 0.000 0.208 248 L C 2.386 179.190 176.870 -0.111 0.000 1.077 248 L CA 1.225 55.964 54.840 -0.169 0.000 0.747 248 L CB -0.361 41.604 42.059 -0.157 0.000 0.896 248 L HN 0.243 nan 8.230 nan 0.000 0.432 249 L N -0.792 120.378 121.223 -0.089 0.000 2.291 249 L HA -0.145 4.195 4.340 0.000 0.000 0.214 249 L C 2.009 178.862 176.870 -0.028 0.000 1.120 249 L CA 0.849 55.656 54.840 -0.055 0.000 0.799 249 L CB -0.328 41.702 42.059 -0.048 0.000 0.925 249 L HN 0.299 nan 8.230 nan 0.000 0.446 250 E N -0.223 119.967 120.200 -0.015 0.000 2.502 250 E HA 0.044 4.394 4.350 0.000 0.000 0.194 250 E C 1.298 177.950 176.600 0.087 0.000 1.062 250 E CA 0.490 56.928 56.400 0.063 0.000 0.867 250 E CB 0.271 30.077 29.700 0.176 0.000 0.888 250 E HN 0.513 nan 8.360 nan 0.000 0.510 251 G N 0.833 109.630 108.800 -0.005 0.000 2.163 251 G HA2 -0.228 3.732 3.960 0.000 0.000 0.213 251 G HA3 -0.228 3.732 3.960 0.000 0.000 0.213 251 G C 0.200 175.066 174.900 -0.057 0.000 0.991 251 G CA -0.140 44.952 45.100 -0.014 0.000 0.653 251 G HN 0.123 nan 8.290 nan 0.000 0.518 252 V N 2.191 122.008 119.914 -0.162 0.000 2.455 252 V HA 0.471 4.591 4.120 0.000 0.000 0.273 252 V C 1.071 177.047 176.094 -0.197 0.000 1.045 252 V CA 0.021 62.184 62.300 -0.228 0.000 0.976 252 V CB 1.551 33.119 31.823 -0.425 0.000 0.993 252 V HN 0.481 nan 8.190 nan 0.000 0.475 253 M N 7.190 126.700 119.600 -0.150 0.000 2.266 253 M HA 0.390 4.870 4.480 0.000 0.000 0.340 253 M C -0.899 175.313 176.300 -0.146 0.000 1.486 253 M CA 0.217 55.419 55.300 -0.164 0.000 1.209 253 M CB -0.125 32.375 32.600 -0.167 0.000 1.714 253 M HN 0.526 nan 8.290 nan 0.000 0.459 254 I N 5.812 126.273 120.570 -0.181 0.000 2.354 254 I HA 0.092 4.262 4.170 0.000 0.000 0.286 254 I C -0.227 175.869 176.117 -0.036 0.000 1.007 254 I CA -0.629 60.589 61.300 -0.137 0.000 1.167 254 I CB 1.118 38.913 38.000 -0.342 0.000 1.320 254 I HN 0.709 nan 8.210 nan 0.000 0.458 255 Y N 2.628 122.878 120.300 -0.083 0.000 2.151 255 Y HA -0.198 4.352 4.550 0.000 0.000 0.284 255 Y C 1.121 176.998 175.900 -0.039 0.000 1.166 255 Y CA 1.401 59.470 58.100 -0.052 0.000 1.163 255 Y CB 0.005 38.445 38.460 -0.034 0.000 0.974 255 Y HN 0.482 nan 8.280 nan 0.000 0.511 256 D N -1.466 119.014 120.400 0.134 0.000 2.375 256 D HA 0.173 4.813 4.640 0.000 0.000 0.241 256 D C -2.320 174.021 176.300 0.067 0.000 1.361 256 D CA -2.189 51.857 54.000 0.077 0.000 0.995 256 D CB 1.466 42.319 40.800 0.088 0.000 1.312 256 D HN -0.136 nan 8.370 nan 0.000 0.576 257 P HA -0.075 nan 4.420 nan 0.000 0.221 257 P C 1.012 178.365 177.300 0.089 0.000 1.145 257 P CA 0.586 63.700 63.100 0.023 0.000 0.795 257 P CB 0.262 31.939 31.700 -0.037 0.000 0.775 258 A N -0.319 122.543 122.820 0.069 0.000 2.167 258 A HA -0.015 4.305 4.320 0.000 0.000 0.214 258 A C 1.594 179.231 177.584 0.089 0.000 1.151 258 A CA 0.569 52.649 52.037 0.072 0.000 0.735 258 A CB -0.670 18.360 19.000 0.051 0.000 0.802 258 A HN 0.117 nan 8.150 nan 0.000 0.467 259 R N -1.300 119.267 120.500 0.113 0.000 2.989 259 R HA 0.428 4.768 4.340 0.000 0.000 0.340 259 R C -1.277 175.129 176.300 0.177 0.000 1.205 259 R CA -0.092 56.073 56.100 0.109 0.000 1.235 259 R CB 0.211 30.559 30.300 0.081 0.000 1.394 259 R HN 0.364 nan 8.270 nan 0.000 0.598 260 F N -0.070 119.885 119.950 0.010 0.000 2.581 260 F HA 0.427 4.954 4.527 0.000 0.000 0.311 260 F C -1.655 174.154 175.800 0.015 0.000 1.113 260 F CA -0.883 57.120 58.000 0.005 0.000 0.935 260 F CB 2.049 41.045 39.000 -0.006 0.000 1.232 260 F HN 0.011 nan 8.300 nan 0.000 0.445 261 D N 5.363 125.276 120.400 -0.813 0.000 2.757 261 D HA 0.467 5.108 4.640 0.000 0.000 0.249 261 D C -1.749 174.097 176.300 -0.758 0.000 1.168 261 D CA -0.269 53.406 54.000 -0.542 0.000 0.870 261 D CB 2.401 43.060 40.800 -0.234 0.000 1.411 261 D HN 0.496 nan 8.370 nan 0.000 0.525 262 L N 2.389 123.367 121.223 -0.408 0.000 2.313 262 L HA 0.613 4.953 4.340 0.000 0.000 0.283 262 L C -0.942 175.945 176.870 0.028 0.000 1.013 262 L CA -0.427 54.314 54.840 -0.165 0.000 0.816 262 L CB 1.218 43.308 42.059 0.051 0.000 1.236 262 L HN 0.324 nan 8.230 nan 0.000 0.419 263 R N 4.152 124.666 120.500 0.023 0.000 2.629 263 R HA 0.731 5.072 4.340 0.000 0.000 0.277 263 R C -0.058 176.279 176.300 0.063 0.000 1.637 263 R CA 0.233 56.373 56.100 0.067 0.000 1.663 263 R CB 1.088 31.404 30.300 0.027 0.000 1.228 263 R HN 1.012 nan 8.270 nan 0.000 0.632 264 G N -0.518 108.340 108.800 0.097 0.000 2.295 264 G HA2 -0.058 3.902 3.960 0.000 0.000 0.155 264 G HA3 -0.058 3.902 3.960 0.000 0.000 0.155 264 G C -1.070 173.886 174.900 0.094 0.000 1.307 264 G CA -0.231 44.913 45.100 0.074 0.000 1.140 264 G HN 0.309 nan 8.290 nan 0.000 0.470 265 T N -1.683 112.916 114.554 0.074 0.000 2.893 265 T HA 0.712 5.062 4.350 0.000 0.000 0.291 265 T C -1.217 173.534 174.700 0.086 0.000 1.028 265 T CA -0.542 61.607 62.100 0.082 0.000 0.995 265 T CB 2.056 70.964 68.868 0.067 0.000 1.051 265 T HN 1.611 nan 8.240 nan 0.000 0.470 266 L N 1.643 122.930 121.223 0.107 0.000 2.376 266 L HA 0.627 4.968 4.340 0.000 0.000 0.275 266 L C -0.383 176.579 176.870 0.155 0.000 0.987 266 L CA -0.533 54.383 54.840 0.126 0.000 0.828 266 L CB 1.577 43.726 42.059 0.149 0.000 1.249 266 L HN 0.955 nan 8.230 nan 0.000 0.409 267 E N 3.411 123.687 120.200 0.128 0.000 2.191 267 E HA 0.514 4.865 4.350 0.000 0.000 0.278 267 E C -1.470 175.220 176.600 0.150 0.000 0.972 267 E CA -0.520 55.944 56.400 0.106 0.000 0.804 267 E CB 0.840 30.564 29.700 0.040 0.000 1.110 267 E HN 0.851 nan 8.360 nan 0.000 0.394 268 H N 0.819 119.894 119.070 0.008 0.000 2.961 268 H HA 0.638 5.194 4.556 0.000 0.000 0.371 268 H C -0.041 175.284 175.328 -0.005 0.000 1.190 268 H CA -0.991 55.058 56.048 0.002 0.000 1.138 268 H CB 1.318 31.079 29.762 -0.002 0.000 1.816 268 H HN 0.516 nan 8.280 nan 0.000 0.551 269 G N 0.506 109.327 108.800 0.036 0.000 2.574 269 G HA2 0.357 4.317 3.960 0.000 0.000 0.248 269 G HA3 0.357 4.317 3.960 0.000 0.000 0.248 269 G C -0.750 174.194 174.900 0.074 0.000 1.422 269 G CA -1.145 43.948 45.100 -0.012 0.000 1.051 269 G HN 0.900 nan 8.290 nan 0.000 0.560 270 K N -0.785 119.638 120.400 0.039 0.000 2.095 270 K HA 0.357 4.677 4.320 0.000 0.000 0.252 270 K C -0.816 175.807 176.600 0.039 0.000 0.977 270 K CA -0.217 56.098 56.287 0.048 0.000 0.900 270 K CB 1.348 33.857 32.500 0.014 0.000 1.060 270 K HN 0.382 nan 8.250 nan 0.000 0.449 271 D N -0.264 120.151 120.400 0.026 0.000 2.772 271 D HA -0.129 4.511 4.640 0.000 0.000 0.233 271 D C -0.562 175.744 176.300 0.010 0.000 1.143 271 D CA 0.620 54.623 54.000 0.006 0.000 0.700 271 D CB -1.235 39.566 40.800 0.001 0.000 1.076 271 D HN 0.317 nan 8.370 nan 0.000 0.430 272 V N 0.594 120.519 119.914 0.018 0.000 2.530 272 V HA 0.155 4.275 4.120 0.000 0.000 0.282 272 V C 0.792 176.882 176.094 -0.007 0.000 1.048 272 V CA 0.246 62.553 62.300 0.013 0.000 0.997 272 V CB 1.628 33.464 31.823 0.023 0.000 0.987 272 V HN 0.016 nan 8.190 nan 0.000 0.477 273 E N 4.722 124.935 120.200 0.022 0.000 2.199 273 E HA 0.593 4.943 4.350 0.000 0.000 0.265 273 E C -1.163 175.494 176.600 0.095 0.000 0.882 273 E CA -0.447 55.996 56.400 0.072 0.000 0.759 273 E CB 2.287 32.062 29.700 0.126 0.000 1.148 273 E HN 0.547 nan 8.360 nan 0.000 0.412 274 I N 2.782 123.427 120.570 0.125 0.000 2.439 274 I HA 0.201 4.371 4.170 0.000 0.000 0.283 274 I C -0.060 176.137 176.117 0.132 0.000 1.023 274 I CA -0.705 60.651 61.300 0.093 0.000 1.100 274 I CB 1.339 39.379 38.000 0.066 0.000 1.238 274 I HN 0.470 nan 8.210 nan 0.000 0.445 275 D N 3.957 124.318 120.400 -0.065 0.000 2.414 275 D HA 0.191 4.831 4.640 0.000 0.000 0.259 275 D C -0.205 176.030 176.300 -0.108 0.000 1.269 275 D CA -0.116 53.690 54.000 -0.323 0.000 1.028 275 D CB 1.578 42.070 40.800 -0.513 0.000 1.093 275 D HN 0.046 nan 8.370 nan 0.000 0.545 276 V N 2.242 122.066 119.914 -0.150 0.000 2.715 276 V HA 0.037 4.157 4.120 0.000 0.000 0.299 276 V C 0.173 176.248 176.094 -0.032 0.000 1.054 276 V CA -0.062 62.220 62.300 -0.031 0.000 1.077 276 V CB 0.522 32.323 31.823 -0.037 0.000 0.972 276 V HN 0.683 nan 8.190 nan 0.000 0.484 277 N N 2.205 120.919 118.700 0.024 0.000 2.780 277 N HA -0.139 4.602 4.740 0.000 0.000 0.247 277 N C -0.649 174.850 175.510 -0.017 0.000 1.076 277 N CA 0.558 53.615 53.050 0.011 0.000 0.688 277 N CB -1.005 37.490 38.487 0.013 0.000 0.957 277 N HN 0.344 nan 8.380 nan 0.000 0.551 278 V N 1.081 120.998 119.914 0.005 0.000 2.612 278 V HA 0.562 4.682 4.120 0.000 0.000 0.301 278 V C 0.875 176.894 176.094 -0.126 0.000 1.046 278 V CA -0.546 61.739 62.300 -0.025 0.000 0.946 278 V CB 2.269 34.125 31.823 0.054 0.000 1.003 278 V HN 0.130 nan 8.190 nan 0.000 0.459 279 I N 5.007 125.503 120.570 -0.124 0.000 2.436 279 I HA 0.470 4.640 4.170 0.000 0.000 0.289 279 I C -1.030 175.003 176.117 -0.139 0.000 1.010 279 I CA -0.537 60.657 61.300 -0.178 0.000 1.098 279 I CB 1.916 39.858 38.000 -0.096 0.000 1.266 279 I HN 0.287 nan 8.210 nan 0.000 0.434 280 I N 5.638 126.094 120.570 -0.191 0.000 2.389 280 I HA 0.440 4.611 4.170 0.000 0.000 0.288 280 I C -0.177 175.907 176.117 -0.056 0.000 0.999 280 I CA -0.430 60.818 61.300 -0.087 0.000 1.129 280 I CB 1.443 39.414 38.000 -0.049 0.000 1.288 280 I HN 0.644 nan 8.210 nan 0.000 0.444 281 E N 3.135 123.324 120.200 -0.019 0.000 2.288 281 E HA 0.647 4.997 4.350 0.000 0.000 0.268 281 E C 0.346 176.952 176.600 0.010 0.000 0.885 281 E CA -0.669 55.728 56.400 -0.004 0.000 0.767 281 E CB 2.562 32.259 29.700 -0.006 0.000 1.220 281 E HN 0.773 nan 8.360 nan 0.000 0.427 282 G N 2.828 111.637 108.800 0.015 0.000 2.566 282 G HA2 -0.285 3.675 3.960 0.000 0.000 0.280 282 G HA3 -0.285 3.675 3.960 0.000 0.000 0.280 282 G C -0.447 174.468 174.900 0.025 0.000 1.225 282 G CA -0.380 44.729 45.100 0.016 0.000 0.966 282 G HN 0.556 nan 8.290 nan 0.000 0.560 283 N N 0.478 119.191 118.700 0.022 0.000 2.439 283 N HA 0.506 5.246 4.740 0.000 0.000 0.249 283 N C -0.486 175.041 175.510 0.029 0.000 1.003 283 N CA -0.106 52.960 53.050 0.028 0.000 0.942 283 N CB 1.713 40.213 38.487 0.021 0.000 1.115 283 N HN 0.520 nan 8.380 nan 0.000 0.505 284 V N 2.119 122.057 119.914 0.040 0.000 2.604 284 V HA 0.397 4.517 4.120 0.000 0.000 0.305 284 V C 0.041 176.165 176.094 0.052 0.000 1.043 284 V CA -0.814 61.511 62.300 0.042 0.000 0.888 284 V CB 2.376 34.227 31.823 0.047 0.000 0.995 284 V HN 0.483 nan 8.190 nan 0.000 0.429 285 K N 5.055 125.480 120.400 0.042 0.000 2.463 285 K HA 0.718 5.038 4.320 0.000 0.000 0.255 285 K C -1.748 174.878 176.600 0.043 0.000 0.942 285 K CA -0.582 55.731 56.287 0.043 0.000 0.814 285 K CB 1.378 33.893 32.500 0.026 0.000 1.122 285 K HN 0.626 nan 8.250 nan 0.000 0.425 286 L N 3.356 124.615 121.223 0.060 0.000 2.341 286 L HA 0.526 4.866 4.340 0.000 0.000 0.278 286 L C 0.801 177.700 176.870 0.048 0.000 1.005 286 L CA -1.035 53.838 54.840 0.055 0.000 0.818 286 L CB 1.881 43.984 42.059 0.073 0.000 1.259 286 L HN 0.805 nan 8.230 nan 0.000 0.418 287 G N 0.974 109.790 108.800 0.027 0.000 2.508 287 G HA2 0.178 4.138 3.960 0.000 0.000 0.278 287 G HA3 0.178 4.138 3.960 0.000 0.000 0.278 287 G C -0.520 174.394 174.900 0.023 0.000 1.389 287 G CA -0.547 44.563 45.100 0.016 0.000 1.050 287 G HN 0.555 nan 8.290 nan 0.000 0.522 288 D N -0.334 120.072 120.400 0.011 0.000 2.414 288 D HA 0.238 4.878 4.640 0.000 0.000 0.242 288 D C 0.733 177.039 176.300 0.012 0.000 1.129 288 D CA 0.291 54.299 54.000 0.013 0.000 0.885 288 D CB 0.840 41.642 40.800 0.003 0.000 1.198 288 D HN 0.459 nan 8.370 nan 0.000 0.437 289 R N -0.826 119.683 120.500 0.015 0.000 3.878 289 R HA -0.145 4.196 4.340 0.000 0.000 0.330 289 R C -0.448 175.857 176.300 0.009 0.000 1.186 289 R CA 0.110 56.215 56.100 0.009 0.000 0.885 289 R CB -1.926 28.376 30.300 0.003 0.000 1.377 289 R HN 0.224 nan 8.270 nan 0.000 0.523 290 V N 1.567 121.489 119.914 0.014 0.000 2.555 290 V HA 0.112 4.232 4.120 0.000 0.000 0.286 290 V C 0.798 176.899 176.094 0.012 0.000 1.044 290 V CA 0.360 62.666 62.300 0.010 0.000 1.026 290 V CB 1.333 33.166 31.823 0.016 0.000 0.981 290 V HN 0.091 nan 8.190 nan 0.000 0.480 291 K N 5.992 126.394 120.400 0.004 0.000 2.323 291 K HA 0.629 4.949 4.320 0.000 0.000 0.259 291 K C -1.077 175.513 176.600 -0.017 0.000 0.947 291 K CA -0.448 55.842 56.287 0.005 0.000 0.819 291 K CB 2.053 34.554 32.500 0.002 0.000 1.109 291 K HN 0.508 nan 8.250 nan 0.000 0.429 292 I N 2.213 122.773 120.570 -0.018 0.000 2.362 292 I HA 0.247 4.417 4.170 0.000 0.000 0.289 292 I C 0.749 176.806 176.117 -0.099 0.000 0.994 292 I CA -0.665 60.607 61.300 -0.046 0.000 1.158 292 I CB 1.774 39.767 38.000 -0.013 0.000 1.315 292 I HN 0.675 nan 8.210 nan 0.000 0.451 293 G N 3.274 111.984 108.800 -0.150 0.000 2.616 293 G HA2 0.223 4.183 3.960 0.000 0.000 0.268 293 G HA3 0.223 4.183 3.960 0.000 0.000 0.268 293 G C -0.052 174.674 174.900 -0.289 0.000 1.213 293 G CA -0.256 44.707 45.100 -0.229 0.000 0.926 293 G HN 0.482 nan 8.290 nan 0.000 0.523 294 T N -1.274 113.058 114.554 -0.370 0.000 2.940 294 T HA 0.399 4.749 4.350 0.000 0.000 0.309 294 T C 1.579 175.909 174.700 -0.616 0.000 1.056 294 T CA 1.741 63.601 62.100 -0.400 0.000 1.137 294 T CB 0.037 68.694 68.868 -0.352 0.000 0.976 294 T HN 2.023 nan 8.240 nan 0.000 0.547 295 G N 2.780 111.345 108.800 -0.391 0.000 2.179 295 G HA2 -0.238 3.723 3.960 0.000 0.000 0.260 295 G HA3 -0.238 3.723 3.960 0.000 0.000 0.260 295 G C 0.536 175.339 174.900 -0.162 0.000 0.977 295 G CA 0.036 44.955 45.100 -0.303 0.000 0.641 295 G HN 0.963 nan 8.290 nan 0.000 0.533 296 C N 0.177 119.373 119.300 -0.173 0.000 2.605 296 C HA 0.613 5.073 4.460 0.000 0.000 0.404 296 C C 0.928 175.894 174.990 -0.040 0.000 1.284 296 C CA -0.365 58.597 59.018 -0.094 0.000 2.199 296 C CB 1.182 28.861 27.740 -0.101 0.000 2.647 296 C HN 0.428 nan 8.230 nan 0.000 0.604 297 V N 4.237 124.143 119.914 -0.014 0.000 2.443 297 V HA 0.448 4.568 4.120 0.000 0.000 0.293 297 V C -0.681 175.411 176.094 -0.004 0.000 1.021 297 V CA -0.329 61.966 62.300 -0.008 0.000 0.848 297 V CB 1.320 33.150 31.823 0.011 0.000 0.998 297 V HN 0.568 nan 8.190 nan 0.000 0.424 298 L N 5.144 126.362 121.223 -0.009 0.000 2.343 298 L HA 0.600 4.940 4.340 0.000 0.000 0.278 298 L C -0.261 176.610 176.870 0.001 0.000 0.996 298 L CA -0.111 54.729 54.840 0.000 0.000 0.831 298 L CB 1.657 43.719 42.059 0.006 0.000 1.232 298 L HN 0.616 nan 8.230 nan 0.000 0.413 299 K N 3.495 123.899 120.400 0.006 0.000 2.502 299 K HA 0.425 4.745 4.320 0.000 0.000 0.254 299 K C -0.592 176.014 176.600 0.009 0.000 0.947 299 K CA -0.467 55.824 56.287 0.007 0.000 0.834 299 K CB 0.735 33.239 32.500 0.006 0.000 1.112 299 K HN 0.541 nan 8.250 nan 0.000 0.427 300 N N 1.528 120.235 118.700 0.011 0.000 2.641 300 N HA -0.160 4.580 4.740 0.000 0.000 0.267 300 N C -0.900 174.616 175.510 0.011 0.000 1.087 300 N CA 1.342 54.399 53.050 0.011 0.000 0.731 300 N CB -1.179 37.313 38.487 0.008 0.000 0.886 300 N HN 0.462 nan 8.380 nan 0.000 0.547 301 V N -3.264 116.658 119.914 0.013 0.000 2.962 301 V HA 0.843 4.963 4.120 0.000 0.000 0.313 301 V C 0.125 176.226 176.094 0.013 0.000 1.099 301 V CA -0.905 61.402 62.300 0.011 0.000 0.971 301 V CB 2.898 34.726 31.823 0.009 0.000 1.028 301 V HN -0.095 nan 8.190 nan 0.000 0.430 302 V N 4.576 124.495 119.914 0.008 0.000 2.409 302 V HA 0.568 4.688 4.120 0.000 0.000 0.291 302 V C -0.530 175.567 176.094 0.004 0.000 1.020 302 V CA -0.373 61.932 62.300 0.008 0.000 0.848 302 V CB 1.415 33.241 31.823 0.005 0.000 0.990 302 V HN 0.741 nan 8.190 nan 0.000 0.430 303 I N 4.106 124.680 120.570 0.007 0.000 2.406 303 I HA 0.512 4.682 4.170 0.000 0.000 0.290 303 I C 0.877 176.994 176.117 -0.000 0.000 0.999 303 I CA -0.047 61.253 61.300 0.001 0.000 1.124 303 I CB 1.427 39.430 38.000 0.004 0.000 1.289 303 I HN 0.681 nan 8.210 nan 0.000 0.441 304 G N 5.102 113.897 108.800 -0.008 0.000 2.621 304 G HA2 0.164 4.124 3.960 0.000 0.000 0.271 304 G HA3 0.164 4.124 3.960 0.000 0.000 0.271 304 G C 0.180 175.075 174.900 -0.009 0.000 1.236 304 G CA -0.505 44.589 45.100 -0.010 0.000 0.958 304 G HN 0.614 nan 8.290 nan 0.000 0.512 305 N N 0.795 119.490 118.700 -0.009 0.000 2.395 305 N HA 0.056 4.797 4.740 0.000 0.000 0.246 305 N C 0.190 175.692 175.510 -0.013 0.000 1.246 305 N CA 0.384 53.429 53.050 -0.008 0.000 0.879 305 N CB 0.341 38.823 38.487 -0.008 0.000 1.098 305 N HN 0.561 nan 8.380 nan 0.000 0.444 306 D N -1.414 118.981 120.400 -0.009 0.000 2.945 306 D HA -0.156 4.484 4.640 0.000 0.000 0.225 306 D C -0.800 175.487 176.300 -0.021 0.000 1.158 306 D CA 0.518 54.510 54.000 -0.012 0.000 0.805 306 D CB -1.183 39.609 40.800 -0.013 0.000 1.098 306 D HN 0.141 nan 8.370 nan 0.000 0.426 307 V N 0.807 120.708 119.914 -0.022 0.000 2.465 307 V HA 0.212 4.332 4.120 0.000 0.000 0.279 307 V C 0.649 176.726 176.094 -0.027 0.000 1.045 307 V CA -0.189 62.092 62.300 -0.032 0.000 0.938 307 V CB 1.907 33.712 31.823 -0.031 0.000 0.986 307 V HN 0.073 nan 8.190 nan 0.000 0.467 308 E N 4.820 125.000 120.200 -0.034 0.000 2.151 308 E HA 0.505 4.855 4.350 0.000 0.000 0.275 308 E C -1.149 175.424 176.600 -0.046 0.000 0.936 308 E CA -0.606 55.774 56.400 -0.034 0.000 0.777 308 E CB 1.203 30.885 29.700 -0.029 0.000 1.108 308 E HN 0.636 nan 8.360 nan 0.000 0.401 309 I N 4.998 125.536 120.570 -0.053 0.000 2.330 309 I HA 0.261 4.431 4.170 0.000 0.000 0.289 309 I C 0.209 176.266 176.117 -0.100 0.000 1.001 309 I CA -0.677 60.582 61.300 -0.068 0.000 1.193 309 I CB 1.180 39.145 38.000 -0.059 0.000 1.345 309 I HN 0.356 nan 8.210 nan 0.000 0.461 310 K N 6.624 126.954 120.400 -0.116 0.000 2.102 310 K HA 0.402 4.723 4.320 0.000 0.000 0.244 310 K C -2.398 174.060 176.600 -0.237 0.000 1.021 310 K CA -1.563 54.629 56.287 -0.159 0.000 0.913 310 K CB 0.287 32.704 32.500 -0.138 0.000 1.062 310 K HN 0.205 nan 8.250 nan 0.000 0.485 311 P HA -0.123 nan 4.420 nan 0.000 0.266 311 P C -1.096 175.899 177.300 -0.510 0.000 1.193 311 P CA 0.577 63.361 63.100 -0.528 0.000 0.770 311 P CB 0.020 31.384 31.700 -0.559 0.000 0.836 312 Y N -1.439 118.712 120.300 -0.247 0.000 3.234 312 Y HA -0.216 4.334 4.550 0.000 0.000 0.207 312 Y C 0.110 175.936 175.900 -0.124 0.000 1.316 312 Y CA 0.011 58.000 58.100 -0.185 0.000 1.309 312 Y CB -2.528 35.779 38.460 -0.255 0.000 1.408 312 Y HN 0.162 nan 8.280 nan 0.000 0.544 313 S N 0.077 115.753 115.700 -0.041 0.000 2.475 313 S HA 0.743 5.214 4.470 0.000 0.000 0.298 313 S C -0.026 174.587 174.600 0.022 0.000 1.119 313 S CA -0.881 57.319 58.200 -0.001 0.000 1.085 313 S CB 2.375 65.547 63.200 -0.046 0.000 1.028 313 S HN 0.118 nan 8.310 nan 0.000 0.489 314 V N 4.212 124.155 119.914 0.049 0.000 2.444 314 V HA 0.517 4.638 4.120 0.000 0.000 0.294 314 V C -1.157 174.957 176.094 0.035 0.000 1.022 314 V CA -0.610 61.717 62.300 0.045 0.000 0.850 314 V CB 1.072 32.935 31.823 0.066 0.000 0.992 314 V HN 0.632 nan 8.190 nan 0.000 0.426 315 L N 4.494 125.730 121.223 0.022 0.000 2.385 315 L HA 0.692 5.032 4.340 0.000 0.000 0.273 315 L C -0.365 176.515 176.870 0.016 0.000 0.990 315 L CA -0.152 54.698 54.840 0.017 0.000 0.821 315 L CB 1.966 44.029 42.059 0.008 0.000 1.279 315 L HN 0.738 nan 8.230 nan 0.000 0.412 316 E N 1.921 122.132 120.200 0.018 0.000 2.308 316 E HA 0.279 4.629 4.350 0.000 0.000 0.275 316 E C -1.081 175.527 176.600 0.014 0.000 0.890 316 E CA -0.497 55.912 56.400 0.016 0.000 0.754 316 E CB 1.348 31.058 29.700 0.018 0.000 1.207 316 E HN 0.590 nan 8.360 nan 0.000 0.426 317 D N 1.876 122.282 120.400 0.011 0.000 2.689 317 D HA -0.141 4.499 4.640 0.000 0.000 0.237 317 D C -1.437 174.868 176.300 0.008 0.000 1.148 317 D CA 1.217 55.222 54.000 0.009 0.000 0.656 317 D CB -0.862 39.943 40.800 0.009 0.000 1.050 317 D HN 0.292 nan 8.370 nan 0.000 0.426 318 S N -0.510 115.194 115.700 0.007 0.000 2.599 318 S HA 0.799 5.269 4.470 0.000 0.000 0.287 318 S C 0.077 174.678 174.600 0.001 0.000 1.105 318 S CA -0.699 57.504 58.200 0.004 0.000 0.899 318 S CB 2.207 65.410 63.200 0.005 0.000 1.100 318 S HN 0.216 nan 8.310 nan 0.000 0.482 319 I N 1.575 122.144 120.570 -0.003 0.000 2.545 319 I HA 0.566 4.736 4.170 0.000 0.000 0.292 319 I C -1.226 174.884 176.117 -0.011 0.000 1.040 319 I CA -0.821 60.476 61.300 -0.005 0.000 1.068 319 I CB 2.015 40.012 38.000 -0.005 0.000 1.251 319 I HN 0.241 nan 8.210 nan 0.000 0.424 320 V N 4.501 124.407 119.914 -0.014 0.000 2.483 320 V HA 0.574 4.694 4.120 0.000 0.000 0.297 320 V C 0.546 176.625 176.094 -0.025 0.000 1.027 320 V CA -0.615 61.672 62.300 -0.023 0.000 0.855 320 V CB 1.513 33.321 31.823 -0.025 0.000 0.995 320 V HN 0.895 nan 8.190 nan 0.000 0.424 321 G N 3.099 111.880 108.800 -0.032 0.000 2.599 321 G HA2 0.453 4.413 3.960 0.000 0.000 0.264 321 G HA3 0.453 4.413 3.960 0.000 0.000 0.264 321 G C 0.009 174.886 174.900 -0.039 0.000 1.200 321 G CA -0.467 44.614 45.100 -0.031 0.000 0.896 321 G HN 0.915 nan 8.290 nan 0.000 0.536 322 E N -0.564 119.616 120.200 -0.033 0.000 2.413 322 E HA 0.158 4.508 4.350 0.000 0.000 0.263 322 E C -0.158 176.413 176.600 -0.049 0.000 1.015 322 E CA 0.031 56.411 56.400 -0.034 0.000 0.916 322 E CB 0.490 30.176 29.700 -0.024 0.000 0.947 322 E HN 0.563 nan 8.360 nan 0.000 0.440 323 K N -0.732 119.639 120.400 -0.049 0.000 3.407 323 K HA -0.243 4.077 4.320 0.000 0.000 0.312 323 K C 0.027 176.559 176.600 -0.114 0.000 1.302 323 K CA 0.626 56.876 56.287 -0.063 0.000 0.931 323 K CB -1.960 30.509 32.500 -0.050 0.000 1.257 323 K HN 0.699 nan 8.250 nan 0.000 0.454 324 A N 0.905 123.654 122.820 -0.119 0.000 2.366 324 A HA 0.615 4.935 4.320 0.000 0.000 0.249 324 A C 0.309 177.804 177.584 -0.149 0.000 1.084 324 A CA 0.423 52.357 52.037 -0.172 0.000 0.794 324 A CB 0.523 19.451 19.000 -0.121 0.000 1.034 324 A HN 0.462 nan 8.150 nan 0.000 0.491 325 A N 1.509 124.222 122.820 -0.178 0.000 2.335 325 A HA 0.645 4.966 4.320 0.000 0.000 0.304 325 A C -0.745 176.808 177.584 -0.052 0.000 1.118 325 A CA -0.403 51.586 52.037 -0.080 0.000 0.757 325 A CB 0.629 19.626 19.000 -0.004 0.000 1.188 325 A HN 0.600 nan 8.150 nan 0.000 0.460 326 I N 1.618 122.160 120.570 -0.046 0.000 2.569 326 I HA 0.792 4.963 4.170 0.000 0.000 0.296 326 I C 0.755 176.838 176.117 -0.057 0.000 1.028 326 I CA 0.336 61.609 61.300 -0.044 0.000 1.082 326 I CB 0.794 38.769 38.000 -0.042 0.000 1.264 326 I HN 1.339 nan 8.210 nan 0.000 0.429 327 G N 7.006 115.769 108.800 -0.062 0.000 2.685 327 G HA2 -0.062 3.899 3.960 0.000 0.000 0.387 327 G HA3 -0.062 3.899 3.960 0.000 0.000 0.387 327 G C -3.143 171.690 174.900 -0.111 0.000 1.324 327 G CA -0.939 44.102 45.100 -0.098 0.000 0.878 327 G HN 0.478 nan 8.290 nan 0.000 0.527 328 P HA 0.549 nan 4.420 nan 0.000 0.277 328 P C 0.267 177.432 177.300 -0.226 0.000 1.271 328 P CA 0.032 62.948 63.100 -0.307 0.000 0.795 328 P CB 0.076 31.472 31.700 -0.506 0.000 1.101 329 F N -3.219 116.708 119.950 -0.038 0.000 3.091 329 F HA -0.192 4.335 4.527 0.000 0.000 0.288 329 F C 0.352 176.112 175.800 -0.066 0.000 0.907 329 F CA 0.604 58.577 58.000 -0.045 0.000 1.028 329 F CB -2.899 35.969 39.000 -0.219 0.000 1.022 329 F HN 0.017 nan 8.300 nan 0.000 0.665 330 S N 0.156 115.899 115.700 0.072 0.000 2.617 330 S HA 0.744 5.215 4.470 0.000 0.000 0.283 330 S C 0.272 174.920 174.600 0.080 0.000 1.189 330 S CA -0.928 57.306 58.200 0.057 0.000 1.036 330 S CB 2.400 65.604 63.200 0.007 0.000 1.014 330 S HN 0.267 nan 8.310 nan 0.000 0.522 331 R N 2.176 122.727 120.500 0.085 0.000 2.451 331 R HA 0.402 4.742 4.340 0.000 0.000 0.307 331 R C -1.635 174.706 176.300 0.067 0.000 0.965 331 R CA -0.369 55.781 56.100 0.083 0.000 0.865 331 R CB 0.823 31.186 30.300 0.104 0.000 1.174 331 R HN 0.600 nan 8.270 nan 0.000 0.455 332 L N 5.046 126.298 121.223 0.048 0.000 2.280 332 L HA 0.531 4.871 4.340 0.000 0.000 0.287 332 L C 0.723 177.617 176.870 0.042 0.000 1.023 332 L CA -0.617 54.246 54.840 0.038 0.000 0.819 332 L CB 1.399 43.470 42.059 0.020 0.000 1.212 332 L HN 0.330 nan 8.230 nan 0.000 0.420 333 R N 2.944 123.475 120.500 0.050 0.000 2.607 333 R HA 0.455 4.796 4.340 0.000 0.000 0.261 333 R C -2.389 173.931 176.300 0.034 0.000 1.051 333 R CA -1.963 54.166 56.100 0.048 0.000 1.110 333 R CB 0.830 31.172 30.300 0.070 0.000 1.158 333 R HN 0.252 nan 8.270 nan 0.000 0.543 334 P HA -0.092 nan 4.420 nan 0.000 0.263 334 P C 0.413 177.724 177.300 0.017 0.000 1.175 334 P CA 1.244 64.356 63.100 0.019 0.000 0.761 334 P CB 0.319 32.029 31.700 0.017 0.000 0.794 335 G N 1.712 110.519 108.800 0.011 0.000 2.157 335 G HA2 -0.179 3.781 3.960 0.000 0.000 0.248 335 G HA3 -0.179 3.781 3.960 0.000 0.000 0.248 335 G C 0.369 175.271 174.900 0.003 0.000 0.979 335 G CA -0.067 45.037 45.100 0.007 0.000 0.650 335 G HN 0.844 nan 8.290 nan 0.000 0.529 336 A N 0.328 123.151 122.820 0.005 0.000 2.451 336 A HA 0.599 4.919 4.320 0.000 0.000 0.266 336 A C 0.334 177.914 177.584 -0.005 0.000 1.119 336 A CA 0.340 52.376 52.037 -0.002 0.000 0.786 336 A CB 0.211 19.213 19.000 0.003 0.000 1.061 336 A HN 0.486 nan 8.150 nan 0.000 0.503 337 E N 2.341 122.535 120.200 -0.010 0.000 2.220 337 E HA 0.410 4.760 4.350 0.000 0.000 0.256 337 E C -1.618 174.972 176.600 -0.016 0.000 0.881 337 E CA -0.649 55.744 56.400 -0.011 0.000 0.766 337 E CB 1.588 31.282 29.700 -0.009 0.000 1.187 337 E HN 0.444 nan 8.360 nan 0.000 0.419 338 L N 2.579 123.790 121.223 -0.020 0.000 2.282 338 L HA 0.476 4.816 4.340 0.000 0.000 0.288 338 L C 0.407 177.259 176.870 -0.030 0.000 1.033 338 L CA -0.315 54.509 54.840 -0.027 0.000 0.807 338 L CB 1.269 43.308 42.059 -0.034 0.000 1.209 338 L HN 0.606 nan 8.230 nan 0.000 0.423 339 A N 2.786 125.588 122.820 -0.030 0.000 2.267 339 A HA 0.782 5.102 4.320 0.000 0.000 0.271 339 A C 0.372 177.930 177.584 -0.043 0.000 1.131 339 A CA 0.007 52.026 52.037 -0.029 0.000 0.818 339 A CB 0.012 18.999 19.000 -0.021 0.000 1.118 339 A HN 0.850 nan 8.150 nan 0.000 0.501 340 A N -1.056 121.741 122.820 -0.039 0.000 2.520 340 A HA 0.415 4.735 4.320 0.000 0.000 0.235 340 A C 0.611 178.153 177.584 -0.070 0.000 1.065 340 A CA 0.818 52.826 52.037 -0.049 0.000 0.764 340 A CB -0.685 18.295 19.000 -0.033 0.000 1.002 340 A HN 1.117 nan 8.150 nan 0.000 0.502 341 E N -0.906 119.230 120.200 -0.108 0.000 2.971 341 E HA -0.199 4.151 4.350 0.000 0.000 0.278 341 E C 0.301 176.746 176.600 -0.260 0.000 1.009 341 E CA 0.917 57.220 56.400 -0.161 0.000 0.862 341 E CB -2.298 27.362 29.700 -0.067 0.000 1.436 341 E HN 1.041 nan 8.360 nan 0.000 0.434 342 T N -1.828 112.584 114.554 -0.238 0.000 2.816 342 T HA 0.478 4.828 4.350 0.000 0.000 0.282 342 T C -0.081 174.370 174.700 -0.414 0.000 0.993 342 T CA -0.476 61.500 62.100 -0.206 0.000 0.994 342 T CB 1.136 69.949 68.868 -0.091 0.000 1.025 342 T HN 0.213 nan 8.240 nan 0.000 0.529 343 H N -1.103 117.945 119.070 -0.036 0.000 2.840 343 H HA 0.610 5.166 4.556 0.000 0.000 0.340 343 H C -1.098 174.193 175.328 -0.062 0.000 1.004 343 H CA -0.715 55.303 56.048 -0.049 0.000 1.288 343 H CB 1.682 31.412 29.762 -0.053 0.000 1.607 343 H HN 0.494 nan 8.280 nan 0.000 0.522 344 V N 2.997 122.930 119.914 0.031 0.000 2.531 344 V HA 0.678 4.799 4.120 0.000 0.000 0.301 344 V C 0.552 176.626 176.094 -0.034 0.000 1.034 344 V CA -0.470 61.824 62.300 -0.010 0.000 0.865 344 V CB 1.717 33.531 31.823 -0.015 0.000 0.995 344 V HN 0.952 nan 8.190 nan 0.000 0.424 345 G N 3.342 112.099 108.800 -0.073 0.000 2.990 345 G HA2 0.371 4.331 3.960 0.000 0.000 0.208 345 G HA3 0.371 4.331 3.960 0.000 0.000 0.208 345 G C -0.308 174.522 174.900 -0.117 0.000 1.334 345 G CA -0.956 44.076 45.100 -0.113 0.000 1.024 345 G HN 0.820 nan 8.290 nan 0.000 0.574 346 N N -1.352 117.233 118.700 -0.192 0.000 2.520 346 N HA 0.237 4.978 4.740 0.000 0.000 0.273 346 N C -0.809 174.463 175.510 -0.397 0.000 1.155 346 N CA -0.329 52.450 53.050 -0.452 0.000 0.967 346 N CB 0.571 38.589 38.487 -0.783 0.000 1.092 346 N HN 0.378 nan 8.380 nan 0.000 0.457 347 F N -1.660 118.386 119.950 0.160 0.000 3.071 347 F HA -0.178 4.349 4.527 0.000 0.000 0.295 347 F C -0.914 174.941 175.800 0.092 0.000 0.919 347 F CA -0.262 57.793 58.000 0.092 0.000 1.050 347 F CB -2.277 36.746 39.000 0.037 0.000 1.040 347 F HN 0.252 nan 8.300 nan 0.000 0.692 348 V N 0.162 120.174 119.914 0.164 0.000 2.495 348 V HA 0.525 4.645 4.120 0.000 0.000 0.298 348 V C 0.114 176.287 176.094 0.132 0.000 1.031 348 V CA -1.027 61.351 62.300 0.130 0.000 0.871 348 V CB 2.265 34.125 31.823 0.062 0.000 0.988 348 V HN 0.294 nan 8.190 nan 0.000 0.432 349 E N 4.802 125.102 120.200 0.166 0.000 2.165 349 E HA 0.601 4.951 4.350 0.000 0.000 0.266 349 E C -1.573 175.122 176.600 0.160 0.000 0.889 349 E CA -0.571 55.945 56.400 0.194 0.000 0.756 349 E CB 1.570 31.436 29.700 0.276 0.000 1.131 349 E HN 0.657 nan 8.360 nan 0.000 0.411 350 I N 4.674 125.298 120.570 0.089 0.000 2.418 350 I HA 0.343 4.514 4.170 0.000 0.000 0.287 350 I C -0.358 175.781 176.117 0.036 0.000 1.008 350 I CA -0.705 60.601 61.300 0.010 0.000 1.104 350 I CB 1.698 39.692 38.000 -0.010 0.000 1.264 350 I HN 0.330 nan 8.210 nan 0.000 0.438 351 K N 6.681 127.086 120.400 0.009 0.000 2.397 351 K HA 0.290 4.610 4.320 0.000 0.000 0.253 351 K C -0.280 176.321 176.600 0.002 0.000 0.932 351 K CA -0.782 55.536 56.287 0.052 0.000 0.795 351 K CB 1.471 34.071 32.500 0.167 0.000 1.159 351 K HN 0.491 nan 8.250 nan 0.000 0.424 352 K N 2.019 122.426 120.400 0.011 0.000 3.540 352 K HA -0.163 4.157 4.320 0.000 0.000 0.274 352 K C -1.500 175.091 176.600 -0.015 0.000 0.890 352 K CA 0.739 57.027 56.287 0.002 0.000 0.701 352 K CB -1.046 31.461 32.500 0.012 0.000 1.523 352 K HN 0.596 nan 8.250 nan 0.000 0.450 353 S N -0.158 115.527 115.700 -0.024 0.000 2.564 353 S HA 0.410 4.880 4.470 0.000 0.000 0.274 353 S C -0.625 173.959 174.600 -0.025 0.000 1.124 353 S CA -0.595 57.584 58.200 -0.035 0.000 0.869 353 S CB 2.072 65.232 63.200 -0.067 0.000 1.105 353 S HN 0.381 nan 8.310 nan 0.000 0.472 354 T N -0.763 113.777 114.554 -0.022 0.000 2.829 354 T HA 0.756 5.107 4.350 0.000 0.000 0.282 354 T C -0.652 174.036 174.700 -0.021 0.000 0.990 354 T CA -0.678 61.412 62.100 -0.018 0.000 1.028 354 T CB 0.897 69.759 68.868 -0.011 0.000 0.951 354 T HN 0.314 nan 8.240 nan 0.000 0.460 355 V N 2.692 122.593 119.914 -0.020 0.000 2.483 355 V HA 0.706 4.826 4.120 0.000 0.000 0.297 355 V C 0.948 177.033 176.094 -0.016 0.000 1.027 355 V CA -0.800 61.488 62.300 -0.020 0.000 0.855 355 V CB 1.447 33.256 31.823 -0.024 0.000 0.995 355 V HN 1.245 nan 8.190 nan 0.000 0.424 356 G N 2.622 111.416 108.800 -0.010 0.000 2.562 356 G HA2 0.366 4.326 3.960 0.000 0.000 0.275 356 G HA3 0.366 4.326 3.960 0.000 0.000 0.275 356 G C -0.192 174.705 174.900 -0.005 0.000 1.196 356 G CA -0.614 44.482 45.100 -0.006 0.000 0.908 356 G HN 0.741 nan 8.290 nan 0.000 0.524 357 K N -0.386 120.012 120.400 -0.004 0.000 2.484 357 K HA 0.300 4.620 4.320 0.000 0.000 0.280 357 K C 1.359 177.965 176.600 0.009 0.000 1.013 357 K CA 1.113 57.397 56.287 -0.006 0.000 1.029 357 K CB -0.101 32.397 32.500 -0.004 0.000 0.902 357 K HN 1.166 nan 8.250 nan 0.000 0.481 358 G N 2.233 111.039 108.800 0.010 0.000 2.205 358 G HA2 -0.270 3.691 3.960 0.000 0.000 0.261 358 G HA3 -0.270 3.691 3.960 0.000 0.000 0.261 358 G C 0.019 174.974 174.900 0.092 0.000 0.980 358 G CA 0.360 45.492 45.100 0.054 0.000 0.632 358 G HN 0.638 nan 8.290 nan 0.000 0.533 359 S N 1.026 116.760 115.700 0.057 0.000 2.576 359 S HA 0.513 4.984 4.470 0.000 0.000 0.276 359 S C 0.359 175.013 174.600 0.091 0.000 1.339 359 S CA 0.514 58.748 58.200 0.055 0.000 1.039 359 S CB 0.991 64.203 63.200 0.019 0.000 0.902 359 S HN 0.773 nan 8.310 nan 0.000 0.516 360 K N -0.032 120.405 120.400 0.063 0.000 2.378 360 K HA 0.674 4.994 4.320 0.000 0.000 0.252 360 K C -1.725 174.868 176.600 -0.013 0.000 0.931 360 K CA -0.905 55.414 56.287 0.053 0.000 0.794 360 K CB 1.500 34.002 32.500 0.004 0.000 1.181 360 K HN 0.277 nan 8.250 nan 0.000 0.425 361 V N 2.488 122.388 119.914 -0.023 0.000 2.454 361 V HA 0.169 4.289 4.120 0.000 0.000 0.267 361 V C -0.215 175.823 176.094 -0.094 0.000 0.993 361 V CA -0.681 61.591 62.300 -0.047 0.000 0.836 361 V CB 0.364 32.169 31.823 -0.030 0.000 1.055 361 V HN 0.965 nan 8.190 nan 0.000 0.452 362 N N 1.576 120.149 118.700 -0.210 0.000 2.282 362 N HA 0.220 4.960 4.740 0.000 0.000 0.185 362 N C -0.132 174.982 175.510 -0.661 0.000 1.099 362 N CA 0.072 52.837 53.050 -0.476 0.000 0.878 362 N CB 0.403 38.493 38.487 -0.662 0.000 0.993 362 N HN 0.757 nan 8.380 nan 0.000 0.481 363 H N -0.287 118.804 119.070 0.036 0.000 3.087 363 H HA 0.114 4.670 4.556 0.000 0.000 0.348 363 H C -0.610 174.782 175.328 0.106 0.000 1.092 363 H CA -1.002 55.095 56.048 0.082 0.000 1.285 363 H CB 1.369 31.188 29.762 0.094 0.000 1.875 363 H HN -0.222 nan 8.280 nan 0.000 0.512 364 L N 1.176 122.580 121.223 0.302 0.000 3.597 364 L HA -0.172 4.169 4.340 0.000 0.000 0.440 364 L C -0.352 176.616 176.870 0.163 0.000 1.277 364 L CA 1.050 56.032 54.840 0.237 0.000 0.852 364 L CB -2.683 39.489 42.059 0.188 0.000 1.708 364 L HN 0.924 nan 8.230 nan 0.000 0.885 365 T N -0.416 114.234 114.554 0.159 0.000 2.912 365 T HA 0.538 4.889 4.350 0.000 0.000 0.299 365 T C -1.126 173.678 174.700 0.174 0.000 1.052 365 T CA -0.533 61.644 62.100 0.128 0.000 0.996 365 T CB 2.272 71.188 68.868 0.079 0.000 1.070 365 T HN 0.083 nan 8.240 nan 0.000 0.465 366 Y N 2.986 123.302 120.300 0.028 0.000 2.328 366 Y HA 0.666 5.217 4.550 0.000 0.000 0.336 366 Y C -1.379 174.527 175.900 0.010 0.000 0.960 366 Y CA -1.066 57.046 58.100 0.020 0.000 1.134 366 Y CB 0.896 39.365 38.460 0.014 0.000 1.166 366 Y HN 0.372 nan 8.280 nan 0.000 0.464 367 V N 6.189 125.756 119.914 -0.579 0.000 2.378 367 V HA 0.803 4.924 4.120 0.000 0.000 0.288 367 V C 0.071 175.692 176.094 -0.788 0.000 1.016 367 V CA -0.332 61.618 62.300 -0.583 0.000 0.840 367 V CB 1.316 32.989 31.823 -0.250 0.000 0.994 367 V HN 0.998 nan 8.190 nan 0.000 0.431 368 G N 1.818 110.155 108.800 -0.773 0.000 2.638 368 G HA2 0.596 4.557 3.960 0.000 0.000 0.302 368 G HA3 0.596 4.557 3.960 0.000 0.000 0.302 368 G C -0.660 174.144 174.900 -0.159 0.000 1.365 368 G CA -0.499 44.349 45.100 -0.420 0.000 0.987 368 G HN 0.638 nan 8.290 nan 0.000 0.495 369 D N -0.047 120.314 120.400 -0.065 0.000 2.686 369 D HA -0.149 4.492 4.640 0.000 0.000 0.235 369 D C 0.310 176.596 176.300 -0.023 0.000 1.160 369 D CA 1.690 55.678 54.000 -0.020 0.000 0.645 369 D CB -0.959 39.848 40.800 0.011 0.000 1.039 369 D HN 0.333 nan 8.370 nan 0.000 0.423 370 S N -0.081 115.592 115.700 -0.046 0.000 2.599 370 S HA 0.536 5.006 4.470 0.000 0.000 0.294 370 S C -0.131 174.453 174.600 -0.028 0.000 1.094 370 S CA -0.890 57.285 58.200 -0.041 0.000 0.931 370 S CB 2.786 65.941 63.200 -0.076 0.000 1.093 370 S HN 0.109 nan 8.310 nan 0.000 0.488 371 E N 1.245 121.434 120.200 -0.017 0.000 2.165 371 E HA 0.510 4.860 4.350 0.000 0.000 0.266 371 E C -1.175 175.416 176.600 -0.015 0.000 0.889 371 E CA -0.306 56.086 56.400 -0.013 0.000 0.756 371 E CB 1.616 31.314 29.700 -0.003 0.000 1.131 371 E HN 0.411 nan 8.360 nan 0.000 0.411 372 I N 2.159 122.719 120.570 -0.018 0.000 2.465 372 I HA 0.356 4.527 4.170 0.000 0.000 0.291 372 I C 0.812 176.925 176.117 -0.008 0.000 1.014 372 I CA -0.641 60.649 61.300 -0.015 0.000 1.093 372 I CB 1.876 39.861 38.000 -0.024 0.000 1.267 372 I HN 0.570 nan 8.210 nan 0.000 0.431 373 G N 3.314 112.113 108.800 -0.001 0.000 2.504 373 G HA2 0.350 4.310 3.960 0.000 0.000 0.257 373 G HA3 0.350 4.310 3.960 0.000 0.000 0.257 373 G C -0.158 174.745 174.900 0.006 0.000 1.451 373 G CA -0.354 44.748 45.100 0.004 0.000 1.059 373 G HN 0.643 nan 8.290 nan 0.000 0.550 374 S N -0.823 114.884 115.700 0.011 0.000 2.585 374 S HA 0.293 4.763 4.470 0.000 0.000 0.277 374 S C 0.297 174.911 174.600 0.024 0.000 1.241 374 S CA -0.330 57.879 58.200 0.015 0.000 1.041 374 S CB 1.187 64.395 63.200 0.013 0.000 0.987 374 S HN 0.640 nan 8.310 nan 0.000 0.512 375 N N -0.577 118.142 118.700 0.031 0.000 2.735 375 N HA -0.145 4.595 4.740 0.000 0.000 0.248 375 N C -0.632 174.905 175.510 0.046 0.000 1.083 375 N CA 0.739 53.814 53.050 0.042 0.000 0.703 375 N CB -2.240 36.272 38.487 0.041 0.000 1.005 375 N HN 0.655 nan 8.380 nan 0.000 0.550 376 C N 0.665 119.986 119.300 0.035 0.000 2.382 376 C HA 0.408 4.869 4.460 0.000 0.000 0.363 376 C C 1.143 176.141 174.990 0.013 0.000 1.213 376 C CA -0.745 58.289 59.018 0.027 0.000 2.363 376 C CB 1.349 29.092 27.740 0.006 0.000 2.397 376 C HN 0.373 nan 8.230 nan 0.000 0.573 377 N N 2.058 120.748 118.700 -0.016 0.000 2.569 377 N HA 0.349 5.089 4.740 0.000 0.000 0.254 377 N C -1.225 174.155 175.510 -0.216 0.000 1.004 377 N CA -0.337 52.661 53.050 -0.086 0.000 0.904 377 N CB 0.379 38.844 38.487 -0.037 0.000 1.165 377 N HN 0.440 nan 8.380 nan 0.000 0.513 378 I N 2.393 122.876 120.570 -0.145 0.000 2.297 378 I HA 0.312 4.482 4.170 0.000 0.000 0.291 378 I C 1.496 177.535 176.117 -0.130 0.000 1.033 378 I CA -0.681 60.532 61.300 -0.146 0.000 1.253 378 I CB 0.197 38.148 38.000 -0.081 0.000 1.396 378 I HN 0.366 nan 8.210 nan 0.000 0.476 379 G N 4.575 113.261 108.800 -0.190 0.000 2.634 379 G HA2 0.420 4.381 3.960 0.000 0.000 0.255 379 G HA3 0.420 4.381 3.960 0.000 0.000 0.255 379 G C 0.216 175.131 174.900 0.026 0.000 1.205 379 G CA -0.407 44.630 45.100 -0.105 0.000 0.884 379 G HN 0.809 nan 8.290 nan 0.000 0.549 380 A N -0.802 122.086 122.820 0.113 0.000 2.565 380 A HA 0.494 4.815 4.320 0.000 0.000 0.237 380 A C 1.685 179.299 177.584 0.050 0.000 1.053 380 A CA 1.329 53.441 52.037 0.125 0.000 0.755 380 A CB -0.435 18.541 19.000 -0.042 0.000 0.980 380 A HN 2.636 nan 8.150 nan 0.000 0.506 381 G N 0.843 109.684 108.800 0.069 0.000 2.159 381 G HA2 -0.162 3.798 3.960 0.000 0.000 0.256 381 G HA3 -0.162 3.798 3.960 0.000 0.000 0.256 381 G C 0.251 175.173 174.900 0.037 0.000 0.977 381 G CA 0.128 45.255 45.100 0.045 0.000 0.652 381 G HN 1.396 nan 8.290 nan 0.000 0.531 382 V N 2.118 122.050 119.914 0.031 0.000 2.614 382 V HA 0.509 4.629 4.120 0.000 0.000 0.291 382 V C 0.618 176.733 176.094 0.036 0.000 1.049 382 V CA -0.045 62.263 62.300 0.013 0.000 1.038 382 V CB 1.402 33.214 31.823 -0.018 0.000 0.980 382 V HN 0.273 nan 8.190 nan 0.000 0.481 383 I N 3.734 124.325 120.570 0.035 0.000 2.534 383 I HA 0.301 4.472 4.170 0.000 0.000 0.288 383 I C 0.157 176.297 176.117 0.038 0.000 1.077 383 I CA -0.330 61.017 61.300 0.078 0.000 1.051 383 I CB 2.141 40.198 38.000 0.095 0.000 1.234 383 I HN 0.691 nan 8.210 nan 0.000 0.425 384 T N 2.765 117.326 114.554 0.013 0.000 2.780 384 T HA 0.623 4.973 4.350 0.000 0.000 0.294 384 T C 0.042 174.793 174.700 0.084 0.000 0.949 384 T CA -0.542 61.550 62.100 -0.012 0.000 1.074 384 T CB 0.954 69.753 68.868 -0.116 0.000 0.910 384 T HN 0.795 nan 8.240 nan 0.000 0.501 385 C N 2.228 121.549 119.300 0.034 0.000 3.213 385 C HA 0.784 5.245 4.460 0.000 0.000 0.319 385 C C -0.572 174.400 174.990 -0.031 0.000 1.386 385 C CA -1.106 57.930 59.018 0.030 0.000 1.494 385 C CB 1.175 28.911 27.740 -0.007 0.000 1.905 385 C HN 0.917 nan 8.230 nan 0.000 0.456 386 N N -0.905 117.775 118.700 -0.035 0.000 2.402 386 N HA 0.479 5.219 4.740 0.000 0.000 0.294 386 N C -1.394 174.060 175.510 -0.093 0.000 1.203 386 N CA -0.223 52.808 53.050 -0.031 0.000 0.838 386 N CB 1.368 39.875 38.487 0.033 0.000 1.306 386 N HN 0.762 nan 8.380 nan 0.000 0.510 387 Y N 0.162 120.518 120.300 0.093 0.000 2.426 387 Y HA -0.039 4.511 4.550 0.000 0.000 0.344 387 Y C 1.024 176.955 175.900 0.052 0.000 1.256 387 Y CA 0.021 58.165 58.100 0.073 0.000 1.451 387 Y CB 0.325 38.840 38.460 0.091 0.000 1.342 387 Y HN 0.433 nan 8.280 nan 0.000 0.600 388 D N 0.720 121.243 120.400 0.204 0.000 2.382 388 D HA 0.378 5.018 4.640 0.000 0.000 0.259 388 D C 0.309 176.680 176.300 0.118 0.000 1.224 388 D CA 1.222 55.292 54.000 0.117 0.000 0.894 388 D CB 0.074 40.927 40.800 0.089 0.000 1.127 388 D HN 0.734 nan 8.370 nan 0.000 0.487 389 G N 1.903 110.752 108.800 0.082 0.000 2.609 389 G HA2 0.471 4.431 3.960 0.000 0.000 0.082 389 G HA3 0.471 4.431 3.960 0.000 0.000 0.082 389 G C -0.510 174.408 174.900 0.031 0.000 1.075 389 G CA 0.208 45.350 45.100 0.070 0.000 1.172 389 G HN 0.740 nan 8.290 nan 0.000 0.532 390 A N -0.469 122.367 122.820 0.026 0.000 3.696 390 A HA 0.728 5.048 4.320 0.000 0.000 0.156 390 A C 0.740 178.220 177.584 -0.173 0.000 1.732 390 A CA 0.200 52.215 52.037 -0.036 0.000 1.004 390 A CB -0.678 18.324 19.000 0.003 0.000 1.799 390 A HN 0.664 nan 8.150 nan 0.000 0.665 391 N N 0.721 119.259 118.700 -0.271 0.000 2.146 391 N HA 0.009 4.749 4.740 0.000 0.000 0.215 391 N C -0.492 174.567 175.510 -0.752 0.000 1.313 391 N CA 0.725 53.511 53.050 -0.440 0.000 0.877 391 N CB -0.029 38.229 38.487 -0.382 0.000 1.076 391 N HN 0.386 nan 8.380 nan 0.000 0.437 392 K N 1.394 121.476 120.400 -0.531 0.000 2.292 392 K HA 0.262 4.582 4.320 0.000 0.000 0.270 392 K C -0.397 176.031 176.600 -0.287 0.000 1.062 392 K CA -0.144 55.929 56.287 -0.356 0.000 0.916 392 K CB 0.411 32.831 32.500 -0.134 0.000 1.166 392 K HN 0.337 nan 8.250 nan 0.000 0.458 393 F N 1.531 121.510 119.950 0.049 0.000 2.362 393 F HA 0.293 4.820 4.527 0.000 0.000 0.311 393 F C 1.039 176.856 175.800 0.028 0.000 1.161 393 F CA -0.767 57.259 58.000 0.043 0.000 1.085 393 F CB 0.798 39.835 39.000 0.062 0.000 1.311 393 F HN 0.100 nan 8.300 nan 0.000 0.524 394 K N 0.226 120.776 120.400 0.251 0.000 2.138 394 K HA 0.417 4.737 4.320 0.000 0.000 0.263 394 K C -1.002 175.647 176.600 0.083 0.000 0.965 394 K CA -0.692 55.667 56.287 0.120 0.000 0.868 394 K CB 1.774 34.330 32.500 0.092 0.000 1.083 394 K HN 0.490 nan 8.250 nan 0.000 0.443 395 T N 3.267 117.845 114.554 0.041 0.000 2.771 395 T HA 0.403 4.754 4.350 0.000 0.000 0.281 395 T C -0.275 174.430 174.700 0.008 0.000 0.982 395 T CA -0.624 61.488 62.100 0.020 0.000 0.978 395 T CB 0.478 69.343 68.868 -0.005 0.000 0.930 395 T HN 0.258 nan 8.240 nan 0.000 0.447 396 I N 4.765 125.342 120.570 0.011 0.000 2.382 396 I HA 0.460 4.631 4.170 0.000 0.000 0.286 396 I C -0.225 175.895 176.117 0.005 0.000 1.002 396 I CA -0.756 60.548 61.300 0.007 0.000 1.135 396 I CB 1.128 39.135 38.000 0.011 0.000 1.288 396 I HN 0.586 nan 8.210 nan 0.000 0.448 397 I N 4.964 125.534 120.570 -0.000 0.000 2.406 397 I HA 0.477 4.647 4.170 0.000 0.000 0.290 397 I C 1.015 177.135 176.117 0.005 0.000 0.999 397 I CA -0.343 60.958 61.300 0.002 0.000 1.124 397 I CB 2.120 40.116 38.000 -0.006 0.000 1.289 397 I HN 0.650 nan 8.210 nan 0.000 0.441 398 G N 4.551 113.357 108.800 0.011 0.000 2.514 398 G HA2 0.158 4.119 3.960 0.000 0.000 0.245 398 G HA3 0.158 4.119 3.960 0.000 0.000 0.245 398 G C -0.426 174.483 174.900 0.015 0.000 1.488 398 G CA -0.328 44.780 45.100 0.012 0.000 1.063 398 G HN 0.509 nan 8.290 nan 0.000 0.557 399 D N 0.203 120.613 120.400 0.018 0.000 2.253 399 D HA 0.267 4.907 4.640 0.000 0.000 0.249 399 D C -0.106 176.212 176.300 0.030 0.000 1.049 399 D CA -0.093 53.920 54.000 0.021 0.000 0.929 399 D CB 1.007 41.818 40.800 0.018 0.000 1.176 399 D HN 0.401 nan 8.370 nan 0.000 0.437 400 D N -0.278 120.144 120.400 0.037 0.000 2.772 400 D HA -0.143 4.497 4.640 0.000 0.000 0.233 400 D C -0.558 175.783 176.300 0.069 0.000 1.143 400 D CA 0.459 54.489 54.000 0.051 0.000 0.700 400 D CB -1.041 39.784 40.800 0.042 0.000 1.076 400 D HN 0.045 nan 8.370 nan 0.000 0.430 401 V N 0.808 120.762 119.914 0.068 0.000 2.481 401 V HA 0.428 4.548 4.120 0.000 0.000 0.286 401 V C 0.246 176.417 176.094 0.129 0.000 1.042 401 V CA -0.693 61.660 62.300 0.088 0.000 0.928 401 V CB 1.548 33.402 31.823 0.051 0.000 0.986 401 V HN 0.141 nan 8.190 nan 0.000 0.462 402 F N 5.220 125.178 119.950 0.012 0.000 2.404 402 F HA 0.644 5.171 4.527 0.000 0.000 0.354 402 F C -0.268 175.541 175.800 0.015 0.000 1.122 402 F CA -0.437 57.571 58.000 0.014 0.000 1.080 402 F CB 1.292 40.300 39.000 0.014 0.000 1.131 402 F HN 0.252 nan 8.300 nan 0.000 0.471 403 V N 6.676 126.368 119.914 -0.369 0.000 2.334 403 V HA 0.454 4.574 4.120 0.000 0.000 0.281 403 V C 0.709 176.535 176.094 -0.447 0.000 1.016 403 V CA -0.752 61.405 62.300 -0.239 0.000 0.832 403 V CB 0.801 32.539 31.823 -0.143 0.000 0.999 403 V HN 0.968 nan 8.190 nan 0.000 0.439 404 G N 3.550 112.244 108.800 -0.176 0.000 2.614 404 G HA2 0.320 4.280 3.960 0.000 0.000 0.239 404 G HA3 0.320 4.280 3.960 0.000 0.000 0.239 404 G C 0.503 175.365 174.900 -0.064 0.000 1.240 404 G CA 0.104 45.173 45.100 -0.051 0.000 0.842 404 G HN 0.959 nan 8.290 nan 0.000 0.584 405 S N -0.171 115.512 115.700 -0.029 0.000 2.558 405 S HA 0.107 4.577 4.470 0.000 0.000 0.288 405 S C 0.507 175.107 174.600 -0.000 0.000 1.318 405 S CA 0.665 58.854 58.200 -0.018 0.000 1.056 405 S CB 0.830 64.028 63.200 -0.003 0.000 0.853 405 S HN 0.854 nan 8.310 nan 0.000 0.505 406 D N -0.176 120.224 120.400 -0.000 0.000 3.041 406 D HA -0.142 4.499 4.640 0.000 0.000 0.220 406 D C -0.508 175.795 176.300 0.005 0.000 1.157 406 D CA 1.478 55.481 54.000 0.006 0.000 0.876 406 D CB -1.630 39.174 40.800 0.006 0.000 1.107 406 D HN 0.750 nan 8.370 nan 0.000 0.422 407 T N 1.361 115.914 114.554 -0.000 0.000 2.869 407 T HA 0.274 4.624 4.350 0.000 0.000 0.295 407 T C 0.099 174.798 174.700 -0.001 0.000 0.987 407 T CA -0.402 61.699 62.100 0.001 0.000 1.109 407 T CB 1.235 70.100 68.868 -0.005 0.000 0.932 407 T HN -0.031 nan 8.240 nan 0.000 0.518 408 Q N 3.096 122.895 119.800 -0.002 0.000 2.314 408 Q HA 0.395 4.736 4.340 0.000 0.000 0.259 408 Q C -0.682 175.308 176.000 -0.016 0.000 0.951 408 Q CA -0.318 55.480 55.803 -0.008 0.000 0.909 408 Q CB 1.638 30.366 28.738 -0.015 0.000 1.236 408 Q HN 0.575 nan 8.270 nan 0.000 0.444 409 L N 2.546 123.758 121.223 -0.019 0.000 2.262 409 L HA 0.387 4.727 4.340 0.000 0.000 0.288 409 L C -0.266 176.581 176.870 -0.038 0.000 1.035 409 L CA -0.850 53.977 54.840 -0.021 0.000 0.820 409 L CB 1.205 43.252 42.059 -0.020 0.000 1.204 409 L HN 0.210 nan 8.230 nan 0.000 0.424 410 V N 3.513 123.393 119.914 -0.058 0.000 2.318 410 V HA 0.426 4.546 4.120 0.000 0.000 0.271 410 V C 0.776 176.839 176.094 -0.053 0.000 1.030 410 V CA -0.573 61.644 62.300 -0.139 0.000 0.844 410 V CB 1.012 32.669 31.823 -0.277 0.000 1.015 410 V HN 0.840 nan 8.190 nan 0.000 0.460 411 A N 8.555 131.376 122.820 0.002 0.000 2.386 411 A HA 0.643 4.963 4.320 0.000 0.000 0.248 411 A C -2.115 175.617 177.584 0.247 0.000 1.082 411 A CA -1.115 50.992 52.037 0.116 0.000 0.789 411 A CB 0.055 19.142 19.000 0.145 0.000 1.025 411 A HN 0.627 nan 8.150 nan 0.000 0.490 412 P HA 0.443 nan 4.420 nan 0.000 0.285 412 P C -0.804 176.539 177.300 0.072 0.000 1.259 412 P CA -0.050 63.115 63.100 0.109 0.000 0.794 412 P CB 1.435 33.118 31.700 -0.028 0.000 0.940 413 V N 3.358 123.304 119.914 0.053 0.000 3.147 413 V HA 0.441 4.561 4.120 0.000 0.000 0.299 413 V C -1.597 174.512 176.094 0.025 0.000 1.302 413 V CA -0.808 61.514 62.300 0.038 0.000 1.015 413 V CB 2.695 34.543 31.823 0.041 0.000 1.086 413 V HN 0.469 nan 8.190 nan 0.000 0.437 414 K N 3.709 124.121 120.400 0.020 0.000 2.378 414 K HA 0.793 5.114 4.320 0.000 0.000 0.252 414 K C -1.679 174.930 176.600 0.016 0.000 0.931 414 K CA -0.754 55.542 56.287 0.015 0.000 0.794 414 K CB 2.543 35.050 32.500 0.011 0.000 1.181 414 K HN 0.426 nan 8.250 nan 0.000 0.425 415 V N 2.286 122.209 119.914 0.015 0.000 2.376 415 V HA 0.404 4.524 4.120 0.000 0.000 0.287 415 V C 0.001 176.107 176.094 0.019 0.000 1.015 415 V CA -0.845 61.466 62.300 0.019 0.000 0.834 415 V CB 1.226 33.061 31.823 0.020 0.000 1.001 415 V HN 0.967 nan 8.190 nan 0.000 0.428 416 A N 4.638 127.469 122.820 0.020 0.000 2.296 416 A HA 0.517 4.838 4.320 0.000 0.000 0.264 416 A C 0.482 178.079 177.584 0.022 0.000 1.097 416 A CA -0.522 51.526 52.037 0.018 0.000 0.811 416 A CB 0.094 19.104 19.000 0.016 0.000 1.072 416 A HN 0.791 nan 8.150 nan 0.000 0.495 417 N N -0.017 118.695 118.700 0.020 0.000 2.294 417 N HA 0.235 4.975 4.740 0.000 0.000 0.248 417 N C 1.195 176.722 175.510 0.027 0.000 1.242 417 N CA 1.704 54.767 53.050 0.023 0.000 0.848 417 N CB 0.261 38.758 38.487 0.018 0.000 1.084 417 N HN 1.371 nan 8.380 nan 0.000 0.457 418 G N -0.686 108.135 108.800 0.035 0.000 2.189 418 G HA2 -0.255 3.705 3.960 0.000 0.000 0.267 418 G HA3 -0.255 3.705 3.960 0.000 0.000 0.267 418 G C 0.352 175.279 174.900 0.044 0.000 0.975 418 G CA 0.515 45.637 45.100 0.037 0.000 0.644 418 G HN 0.957 nan 8.290 nan 0.000 0.537 419 A N -0.443 122.407 122.820 0.050 0.000 2.406 419 A HA 0.684 5.004 4.320 0.000 0.000 0.243 419 A C 0.575 178.213 177.584 0.091 0.000 1.082 419 A CA 1.288 53.359 52.037 0.056 0.000 0.786 419 A CB 0.519 19.549 19.000 0.049 0.000 1.029 419 A HN 0.897 nan 8.150 nan 0.000 0.495 420 T N 1.711 116.320 114.554 0.092 0.000 2.881 420 T HA 0.545 4.896 4.350 0.000 0.000 0.291 420 T C -0.617 174.171 174.700 0.146 0.000 0.990 420 T CA 0.056 62.242 62.100 0.143 0.000 0.976 420 T CB 0.594 69.490 68.868 0.046 0.000 0.970 420 T HN 0.442 nan 8.240 nan 0.000 0.438 421 I N 2.277 122.984 120.570 0.230 0.000 2.406 421 I HA 0.527 4.697 4.170 0.000 0.000 0.290 421 I C 1.041 177.290 176.117 0.219 0.000 0.999 421 I CA -0.807 60.590 61.300 0.162 0.000 1.124 421 I CB 1.749 39.810 38.000 0.102 0.000 1.289 421 I HN 0.725 nan 8.210 nan 0.000 0.441 422 G N 3.957 112.844 108.800 0.144 0.000 2.569 422 G HA2 0.497 4.457 3.960 0.000 0.000 0.249 422 G HA3 0.497 4.457 3.960 0.000 0.000 0.249 422 G C 0.069 175.042 174.900 0.121 0.000 1.216 422 G CA -0.410 44.775 45.100 0.142 0.000 0.845 422 G HN 0.795 nan 8.290 nan 0.000 0.568 423 A N -0.443 122.450 122.820 0.121 0.000 2.498 423 A HA 0.537 4.858 4.320 0.000 0.000 0.239 423 A C 1.562 179.175 177.584 0.048 0.000 1.068 423 A CA 1.063 53.147 52.037 0.078 0.000 0.766 423 A CB -0.230 18.817 19.000 0.077 0.000 1.003 423 A HN 2.612 nan 8.150 nan 0.000 0.497 424 G N 1.665 110.484 108.800 0.031 0.000 2.137 424 G HA2 -0.166 3.794 3.960 0.000 0.000 0.237 424 G HA3 -0.166 3.794 3.960 0.000 0.000 0.237 424 G C 0.302 175.214 174.900 0.020 0.000 1.002 424 G CA 0.442 45.555 45.100 0.021 0.000 0.702 424 G HN 1.142 nan 8.290 nan 0.000 0.515 425 T N 0.923 115.491 114.554 0.024 0.000 2.907 425 T HA 0.609 4.959 4.350 0.000 0.000 0.284 425 T C 0.236 174.945 174.700 0.015 0.000 1.004 425 T CA 0.336 62.451 62.100 0.024 0.000 1.063 425 T CB 1.541 70.429 68.868 0.034 0.000 0.992 425 T HN 0.166 nan 8.240 nan 0.000 0.483 426 T N 3.913 118.476 114.554 0.014 0.000 2.809 426 T HA 0.427 4.777 4.350 0.000 0.000 0.296 426 T C -0.285 174.424 174.700 0.014 0.000 1.015 426 T CA -0.563 61.542 62.100 0.008 0.000 0.954 426 T CB 0.199 69.071 68.868 0.007 0.000 0.950 426 T HN 0.303 nan 8.240 nan 0.000 0.450 427 I N 4.785 125.361 120.570 0.010 0.000 2.307 427 I HA 0.246 4.417 4.170 0.000 0.000 0.289 427 I C 1.524 177.654 176.117 0.022 0.000 1.021 427 I CA -0.283 61.028 61.300 0.019 0.000 1.224 427 I CB 0.881 38.891 38.000 0.017 0.000 1.376 427 I HN 0.749 nan 8.210 nan 0.000 0.470 428 T N 3.317 117.899 114.554 0.046 0.000 2.955 428 T HA 0.285 4.635 4.350 0.000 0.000 0.251 428 T C 0.871 175.623 174.700 0.087 0.000 1.002 428 T CA -0.197 61.955 62.100 0.087 0.000 0.970 428 T CB 0.548 69.500 68.868 0.140 0.000 1.091 428 T HN 0.379 nan 8.240 nan 0.000 0.495 429 R N 1.836 122.370 120.500 0.057 0.000 2.668 429 R HA 0.496 4.836 4.340 0.000 0.000 0.279 429 R C -1.247 175.072 176.300 0.033 0.000 0.976 429 R CA -0.864 55.262 56.100 0.043 0.000 0.978 429 R CB 0.748 31.069 30.300 0.034 0.000 1.133 429 R HN 0.183 nan 8.270 nan 0.000 0.484 430 D N 1.209 121.624 120.400 0.025 0.000 2.472 430 D HA 0.067 4.707 4.640 0.000 0.000 0.237 430 D C -0.238 176.074 176.300 0.020 0.000 1.141 430 D CA 0.272 54.285 54.000 0.021 0.000 0.875 430 D CB 0.885 41.693 40.800 0.014 0.000 1.192 430 D HN 0.038 nan 8.370 nan 0.000 0.450 431 V N 1.971 121.898 119.914 0.021 0.000 2.435 431 V HA 0.559 4.680 4.120 0.000 0.000 0.290 431 V C 1.099 177.205 176.094 0.020 0.000 1.030 431 V CA -0.778 61.536 62.300 0.023 0.000 0.881 431 V CB 1.598 33.438 31.823 0.028 0.000 0.983 431 V HN 0.581 nan 8.190 nan 0.000 0.445 432 G N 2.491 111.302 108.800 0.018 0.000 2.580 432 G HA2 0.376 4.336 3.960 0.000 0.000 0.278 432 G HA3 0.376 4.336 3.960 0.000 0.000 0.278 432 G C -0.230 174.680 174.900 0.017 0.000 1.212 432 G CA -0.446 44.663 45.100 0.015 0.000 0.939 432 G HN 0.760 nan 8.290 nan 0.000 0.513 433 E N 0.221 120.430 120.200 0.015 0.000 2.415 433 E HA -0.004 4.346 4.350 0.000 0.000 0.263 433 E C 0.071 176.680 176.600 0.015 0.000 0.995 433 E CA -0.099 56.311 56.400 0.015 0.000 0.915 433 E CB 0.106 29.813 29.700 0.012 0.000 0.951 433 E HN 0.456 nan 8.360 nan 0.000 0.449 434 N N 2.416 121.127 118.700 0.018 0.000 2.714 434 N HA -0.239 4.502 4.740 0.000 0.000 0.250 434 N C -0.902 174.617 175.510 0.015 0.000 1.117 434 N CA 1.226 54.285 53.050 0.016 0.000 0.719 434 N CB -1.071 37.422 38.487 0.010 0.000 1.081 434 N HN 0.675 nan 8.380 nan 0.000 0.557 435 E N 0.542 120.754 120.200 0.020 0.000 2.227 435 E HA 0.355 4.705 4.350 0.000 0.000 0.282 435 E C -0.374 176.242 176.600 0.025 0.000 1.015 435 E CA -0.508 55.904 56.400 0.020 0.000 0.823 435 E CB 0.850 30.562 29.700 0.020 0.000 1.081 435 E HN 0.217 nan 8.360 nan 0.000 0.396 436 L N 5.709 126.944 121.223 0.020 0.000 2.282 436 L HA 0.415 4.755 4.340 0.000 0.000 0.288 436 L C -1.339 175.546 176.870 0.026 0.000 1.033 436 L CA -0.749 54.104 54.840 0.022 0.000 0.807 436 L CB 1.332 43.395 42.059 0.006 0.000 1.209 436 L HN 0.409 nan 8.230 nan 0.000 0.423 437 V N 6.646 126.583 119.914 0.038 0.000 2.407 437 V HA 0.436 4.556 4.120 0.000 0.000 0.291 437 V C -0.007 176.112 176.094 0.041 0.000 1.018 437 V CA -0.498 61.824 62.300 0.036 0.000 0.842 437 V CB 1.569 33.415 31.823 0.039 0.000 0.996 437 V HN 0.667 nan 8.190 nan 0.000 0.426 438 I N 0.956 121.545 120.570 0.032 0.000 2.646 438 I HA 0.726 4.896 4.170 0.000 0.000 0.299 438 I C -0.048 176.086 176.117 0.028 0.000 1.036 438 I CA -0.471 60.849 61.300 0.033 0.000 1.074 438 I CB 2.447 40.462 38.000 0.026 0.000 1.258 438 I HN 0.362 nan 8.210 nan 0.000 0.430 439 T N 4.138 118.710 114.554 0.029 0.000 2.780 439 T HA 0.321 4.671 4.350 0.000 0.000 0.294 439 T C 0.192 174.904 174.700 0.020 0.000 0.949 439 T CA -0.482 61.632 62.100 0.024 0.000 1.074 439 T CB 0.385 69.267 68.868 0.023 0.000 0.910 439 T HN 0.434 nan 8.240 nan 0.000 0.501 440 R N 3.074 123.584 120.500 0.017 0.000 2.248 440 R HA 0.266 4.606 4.340 0.000 0.000 0.337 440 R C 0.236 176.545 176.300 0.014 0.000 1.106 440 R CA -0.288 55.821 56.100 0.016 0.000 0.959 440 R CB 0.226 30.535 30.300 0.014 0.000 1.075 440 R HN 0.539 nan 8.270 nan 0.000 0.480 441 V N 0.111 120.034 119.914 0.016 0.000 2.686 441 V HA 0.684 4.804 4.120 0.000 0.000 0.295 441 V C 0.296 176.398 176.094 0.013 0.000 1.057 441 V CA -0.959 61.347 62.300 0.011 0.000 1.012 441 V CB 1.538 33.367 31.823 0.010 0.000 1.006 441 V HN 0.669 nan 8.190 nan 0.000 0.477 442 A N 4.014 126.836 122.820 0.003 0.000 2.303 442 A HA 0.760 5.080 4.320 0.000 0.000 0.320 442 A C -0.293 177.279 177.584 -0.019 0.000 1.192 442 A CA -0.697 51.341 52.037 0.003 0.000 0.821 442 A CB 0.984 19.983 19.000 -0.002 0.000 1.188 442 A HN 0.959 nan 8.150 nan 0.000 0.492 443 Q N 1.001 120.792 119.800 -0.015 0.000 2.394 443 Q HA 0.488 4.828 4.340 0.000 0.000 0.273 443 Q C -0.767 175.164 176.000 -0.116 0.000 1.089 443 Q CA -1.005 54.734 55.803 -0.107 0.000 0.812 443 Q CB 2.545 31.184 28.738 -0.166 0.000 1.353 443 Q HN 0.631 nan 8.270 nan 0.000 0.438 444 R N 1.651 122.027 120.500 -0.207 0.000 2.338 444 R HA 0.350 4.690 4.340 0.000 0.000 0.317 444 R C -1.211 174.915 176.300 -0.290 0.000 0.968 444 R CA -0.311 55.698 56.100 -0.151 0.000 0.849 444 R CB 0.789 31.017 30.300 -0.121 0.000 1.128 444 R HN 0.691 nan 8.270 nan 0.000 0.448 445 H N 5.105 124.150 119.070 -0.042 0.000 2.511 445 H HA 0.380 4.936 4.556 0.000 0.000 0.328 445 H C -0.206 175.104 175.328 -0.030 0.000 1.044 445 H CA -0.574 55.453 56.048 -0.035 0.000 1.212 445 H CB 1.764 31.516 29.762 -0.016 0.000 1.428 445 H HN 0.382 nan 8.280 nan 0.000 0.483 446 I N 4.113 124.708 120.570 0.041 0.000 2.382 446 I HA 0.070 4.240 4.170 0.000 0.000 0.286 446 I C -0.112 176.068 176.117 0.104 0.000 1.002 446 I CA -0.767 60.558 61.300 0.043 0.000 1.135 446 I CB 1.441 39.413 38.000 -0.045 0.000 1.288 446 I HN 0.313 nan 8.210 nan 0.000 0.448 447 Q N 4.069 123.936 119.800 0.110 0.000 2.259 447 Q HA 0.375 4.716 4.340 0.000 0.000 0.246 447 Q C 0.996 177.080 176.000 0.139 0.000 0.920 447 Q CA 0.025 55.896 55.803 0.114 0.000 0.895 447 Q CB 1.345 30.129 28.738 0.077 0.000 1.220 447 Q HN 0.953 nan 8.270 nan 0.000 0.439 448 G N 1.238 110.118 108.800 0.133 0.000 2.176 448 G HA2 -0.221 3.739 3.960 0.000 0.000 0.252 448 G HA3 -0.221 3.739 3.960 0.000 0.000 0.252 448 G C -0.486 174.512 174.900 0.163 0.000 1.024 448 G CA -0.016 45.153 45.100 0.114 0.000 0.755 448 G HN 0.648 nan 8.290 nan 0.000 0.507 449 W N 1.229 122.536 121.300 0.011 0.000 2.481 449 W HA 0.613 5.274 4.660 0.001 0.000 0.320 449 W C 0.068 176.590 176.519 0.005 0.000 1.209 449 W CA -0.718 56.632 57.345 0.007 0.000 1.400 449 W CB 0.785 30.249 29.460 0.007 0.000 1.361 449 W HN 0.223 nan 8.180 nan 0.000 0.456 450 Q N 5.517 125.049 119.800 -0.447 0.000 2.294 450 Q HA 0.221 4.561 4.340 0.000 0.000 0.257 450 Q C -0.071 175.614 176.000 -0.524 0.000 0.955 450 Q CA 0.018 55.606 55.803 -0.358 0.000 0.936 450 Q CB 0.681 29.258 28.738 -0.268 0.000 1.188 450 Q HN 0.430 nan 8.270 nan 0.000 0.420 451 R N 4.166 124.515 120.500 -0.253 0.000 2.582 451 R HA 0.277 4.617 4.340 0.000 0.000 0.271 451 R C -1.966 174.252 176.300 -0.137 0.000 1.078 451 R CA -1.730 54.278 56.100 -0.154 0.000 1.127 451 R CB -0.093 30.202 30.300 -0.009 0.000 1.038 451 R HN 0.537 nan 8.270 nan 0.000 0.500 452 P HA -0.112 nan 4.420 nan 0.000 0.251 452 P C -0.309 176.961 177.300 -0.050 0.000 1.154 452 P CA 0.757 63.814 63.100 -0.071 0.000 0.805 452 P CB 0.119 31.797 31.700 -0.036 0.000 0.759 453 I N 2.732 123.268 120.570 -0.057 0.000 3.747 453 I HA 0.642 4.812 4.170 0.000 0.000 0.250 453 I C 0.802 176.901 176.117 -0.030 0.000 1.364 453 I CA 0.122 61.398 61.300 -0.041 0.000 0.808 453 I CB 0.922 38.894 38.000 -0.046 0.000 1.706 453 I HN 0.275 nan 8.210 nan 0.000 0.795 454 K N 0.000 120.386 120.400 -0.024 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