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 2v0j_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 RHIQGWQRP 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 0.000 176.602 176.600 0.003 0.000 0.988 4 K CA 0.000 56.289 56.287 0.004 0.000 0.838 4 K CB 0.000 32.504 32.500 0.006 0.000 1.064 5 A N 0.427 123.250 122.820 0.005 0.000 2.366 5 A HA 0.539 4.859 4.320 0.000 0.000 0.250 5 A C -0.591 176.993 177.584 0.001 0.000 1.099 5 A CA -0.183 51.856 52.037 0.004 0.000 0.794 5 A CB 0.143 19.151 19.000 0.013 0.000 1.056 5 A HN 0.609 nan 8.150 nan 0.000 0.499 6 L N -0.215 121.005 121.223 -0.006 0.000 2.455 6 L HA 0.692 5.032 4.340 0.000 0.000 0.264 6 L C -0.421 176.436 176.870 -0.021 0.000 0.968 6 L CA 0.266 55.097 54.840 -0.015 0.000 0.827 6 L CB 2.289 44.337 42.059 -0.018 0.000 1.317 6 L HN 0.649 nan 8.230 nan 0.000 0.407 7 S N 1.987 117.666 115.700 -0.035 0.000 2.632 7 S HA 0.977 5.447 4.470 0.000 0.000 0.289 7 S C -1.055 173.505 174.600 -0.066 0.000 1.115 7 S CA -0.281 57.894 58.200 -0.041 0.000 0.889 7 S CB 1.873 65.088 63.200 0.025 0.000 1.116 7 S HN 0.930 nan 8.310 nan 0.000 0.486 8 A N 1.118 123.899 122.820 -0.065 0.000 2.355 8 A HA 0.841 5.161 4.320 0.000 0.000 0.324 8 A C -1.097 176.480 177.584 -0.011 0.000 1.117 8 A CA -0.635 51.363 52.037 -0.065 0.000 0.785 8 A CB 0.945 19.905 19.000 -0.067 0.000 1.254 8 A HN 0.587 nan 8.150 nan 0.000 0.453 9 V N 2.550 122.438 119.914 -0.043 0.000 2.448 9 V HA 0.449 4.570 4.120 0.000 0.000 0.295 9 V C -0.495 175.542 176.094 -0.095 0.000 1.025 9 V CA -0.151 62.146 62.300 -0.005 0.000 0.859 9 V CB 1.259 33.073 31.823 -0.014 0.000 0.988 9 V HN 0.702 nan 8.190 nan 0.000 0.431 10 I N 5.366 125.887 120.570 -0.082 0.000 2.389 10 I HA 0.371 4.541 4.170 0.000 0.000 0.288 10 I C -0.912 175.157 176.117 -0.081 0.000 0.999 10 I CA -0.697 60.536 61.300 -0.112 0.000 1.129 10 I CB 1.862 39.808 38.000 -0.091 0.000 1.288 10 I HN 0.360 nan 8.210 nan 0.000 0.444 11 L N 6.303 127.458 121.223 -0.112 0.000 2.278 11 L HA 0.422 4.762 4.340 0.000 0.000 0.287 11 L C 0.757 177.667 176.870 0.066 0.000 1.072 11 L CA 0.600 55.434 54.840 -0.010 0.000 0.819 11 L CB 1.178 43.245 42.059 0.012 0.000 1.176 11 L HN 0.783 nan 8.230 nan 0.000 0.435 12 A N 2.969 125.841 122.820 0.088 0.000 2.569 12 A HA 0.594 4.914 4.320 0.000 0.000 0.284 12 A C 1.259 178.931 177.584 0.147 0.000 0.948 12 A CA 0.417 52.517 52.037 0.106 0.000 1.007 12 A CB 0.159 19.202 19.000 0.071 0.000 1.232 12 A HN 0.629 nan 8.150 nan 0.000 0.530 13 A N -0.092 122.819 122.820 0.152 0.000 2.218 13 A HA 0.488 4.808 4.320 0.000 0.000 0.209 13 A C 1.351 179.071 177.584 0.228 0.000 1.168 13 A CA 0.706 52.848 52.037 0.175 0.000 0.804 13 A CB -0.416 18.665 19.000 0.135 0.000 0.834 13 A HN 0.885 nan 8.150 nan 0.000 0.482 14 G N -0.599 108.294 108.800 0.154 0.000 2.483 14 G HA2 0.291 4.251 3.960 0.000 0.000 0.248 14 G HA3 0.291 4.251 3.960 0.000 0.000 0.248 14 G C 0.637 175.529 174.900 -0.013 0.000 1.248 14 G CA -0.010 45.135 45.100 0.076 0.000 0.838 14 G HN 0.379 nan 8.290 nan 0.000 0.566 15 K N 1.247 121.478 120.400 -0.281 0.000 2.155 15 K HA 0.076 4.396 4.320 0.000 0.000 0.203 15 K C 1.620 178.134 176.600 -0.143 0.000 1.052 15 K CA 0.937 57.010 56.287 -0.357 0.000 0.948 15 K CB -0.279 31.815 32.500 -0.676 0.000 0.728 15 K HN 1.070 nan 8.250 nan 0.000 0.448 16 G N 1.182 109.915 108.800 -0.112 0.000 2.333 16 G HA2 -0.245 3.715 3.960 0.000 0.000 0.296 16 G HA3 -0.245 3.715 3.960 0.000 0.000 0.296 16 G C 0.430 175.245 174.900 -0.140 0.000 1.059 16 G CA 0.556 45.616 45.100 -0.066 0.000 1.050 16 G HN 0.364 nan 8.290 nan 0.000 0.508 17 T N -0.096 114.338 114.554 -0.200 0.000 2.699 17 T HA -0.159 4.192 4.350 0.000 0.000 0.268 17 T C 2.384 176.726 174.700 -0.597 0.000 1.036 17 T CA 1.721 63.644 62.100 -0.294 0.000 1.147 17 T CB -0.107 68.630 68.868 -0.218 0.000 0.862 17 T HN 0.606 nan 8.240 nan 0.000 0.446 18 R N 0.243 120.446 120.500 -0.494 0.000 2.313 18 R HA 0.215 4.555 4.340 0.000 0.000 0.199 18 R C 1.847 177.862 176.300 -0.475 0.000 0.958 18 R CA 0.241 55.965 56.100 -0.627 0.000 1.047 18 R CB -0.013 30.153 30.300 -0.222 0.000 0.955 18 R HN 0.346 nan 8.270 nan 0.000 0.481 19 M N -0.635 118.747 119.600 -0.364 0.000 2.558 19 M HA -0.005 4.475 4.480 0.000 0.000 0.255 19 M C -0.262 175.989 176.300 -0.081 0.000 1.113 19 M CA 0.555 55.725 55.300 -0.217 0.000 1.097 19 M CB -0.312 32.152 32.600 -0.227 0.000 1.426 19 M HN 0.093 nan 8.290 nan 0.000 0.488 20 Y N 0.471 120.767 120.300 -0.006 0.000 2.980 20 Y HA -0.224 4.327 4.550 0.000 0.000 0.199 20 Y C 0.564 176.484 175.900 0.034 0.000 1.319 20 Y CA 0.290 58.396 58.100 0.010 0.000 0.877 20 Y CB -1.904 36.555 38.460 -0.001 0.000 1.259 20 Y HN 0.234 nan 8.280 nan 0.000 0.437 21 S N -0.683 115.088 115.700 0.118 0.000 2.569 21 S HA 0.453 4.924 4.470 0.000 0.000 0.280 21 S C 0.491 175.153 174.600 0.103 0.000 1.111 21 S CA -0.854 57.436 58.200 0.150 0.000 0.887 21 S CB 1.426 64.805 63.200 0.298 0.000 1.095 21 S HN 0.241 nan 8.310 nan 0.000 0.476 22 D N 1.625 122.077 120.400 0.086 0.000 2.347 22 D HA 0.166 4.806 4.640 0.000 0.000 0.215 22 D C 0.407 176.717 176.300 0.017 0.000 0.976 22 D CA 0.637 54.668 54.000 0.052 0.000 0.884 22 D CB -0.038 40.791 40.800 0.049 0.000 0.915 22 D HN 0.420 nan 8.370 nan 0.000 0.526 23 L N 2.079 123.298 121.223 -0.006 0.000 2.395 23 L HA 0.253 4.593 4.340 0.000 0.000 0.269 23 L C -1.863 174.934 176.870 -0.122 0.000 1.133 23 L CA -1.728 53.030 54.840 -0.135 0.000 0.812 23 L CB 0.672 42.535 42.059 -0.325 0.000 1.125 23 L HN -0.161 nan 8.230 nan 0.000 0.452 24 P HA 0.038 nan 4.420 nan 0.000 0.274 24 P C -0.027 177.209 177.300 -0.106 0.000 1.246 24 P CA -0.504 62.562 63.100 -0.055 0.000 0.795 24 P CB 0.942 32.649 31.700 0.012 0.000 1.006 25 K N 0.654 121.059 120.400 0.008 0.000 2.063 25 K HA -0.125 4.195 4.320 0.000 0.000 0.208 25 K C 1.454 178.112 176.600 0.096 0.000 1.048 25 K CA 2.118 58.465 56.287 0.099 0.000 0.928 25 K CB -0.427 32.117 32.500 0.074 0.000 0.713 25 K HN 0.356 nan 8.250 nan 0.000 0.442 26 V N -1.306 118.624 119.914 0.027 0.000 3.623 26 V HA 0.072 4.192 4.120 0.000 0.000 0.271 26 V C 1.453 177.541 176.094 -0.011 0.000 1.248 26 V CA 0.577 62.900 62.300 0.038 0.000 1.156 26 V CB -0.177 31.677 31.823 0.052 0.000 0.870 26 V HN 0.169 nan 8.190 nan 0.000 0.453 27 L N -0.297 120.846 121.223 -0.132 0.000 2.509 27 L HA 0.270 4.610 4.340 0.000 0.000 0.222 27 L C 0.865 177.649 176.870 -0.143 0.000 1.123 27 L CA 0.034 54.779 54.840 -0.159 0.000 0.856 27 L CB -0.500 41.385 42.059 -0.289 0.000 0.985 27 L HN 0.429 nan 8.230 nan 0.000 0.456 28 H N 0.441 119.520 119.070 0.016 0.000 2.928 28 H HA 0.043 4.599 4.556 0.000 0.000 0.338 28 H C 0.763 176.110 175.328 0.031 0.000 1.047 28 H CA 0.196 56.258 56.048 0.022 0.000 1.435 28 H CB 0.492 30.260 29.762 0.011 0.000 1.428 28 H HN 0.058 nan 8.280 nan 0.000 0.590 29 T N 1.362 116.008 114.554 0.152 0.000 2.909 29 T HA 0.456 4.806 4.350 0.000 0.000 0.286 29 T C 0.018 174.753 174.700 0.059 0.000 1.002 29 T CA -0.922 61.238 62.100 0.100 0.000 1.074 29 T CB 0.947 69.867 68.868 0.086 0.000 0.984 29 T HN 0.276 nan 8.240 nan 0.000 0.495 30 I N 1.745 122.335 120.570 0.032 0.000 2.436 30 I HA 0.488 4.658 4.170 0.000 0.000 0.289 30 I C 0.926 177.022 176.117 -0.035 0.000 1.010 30 I CA -0.691 60.550 61.300 -0.099 0.000 1.098 30 I CB 0.705 38.459 38.000 -0.411 0.000 1.266 30 I HN 1.166 nan 8.210 nan 0.000 0.434 31 A N 4.913 127.720 122.820 -0.021 0.000 2.745 31 A HA -0.097 4.224 4.320 0.000 0.000 0.296 31 A C 1.407 179.036 177.584 0.074 0.000 1.500 31 A CA 1.378 53.459 52.037 0.072 0.000 0.766 31 A CB -1.886 17.219 19.000 0.175 0.000 1.030 31 A HN 2.078 nan 8.150 nan 0.000 0.489 32 G N -1.988 106.845 108.800 0.055 0.000 2.159 32 G HA2 -0.264 3.696 3.960 0.000 0.000 0.256 32 G HA3 -0.264 3.696 3.960 0.000 0.000 0.256 32 G C 0.028 174.946 174.900 0.031 0.000 0.977 32 G CA 1.382 46.507 45.100 0.041 0.000 0.652 32 G HN 1.540 nan 8.290 nan 0.000 0.531 33 K N 0.690 121.116 120.400 0.044 0.000 2.426 33 K HA 0.557 4.877 4.320 0.000 0.000 0.254 33 K C -2.713 173.930 176.600 0.072 0.000 0.936 33 K CA -2.478 53.799 56.287 -0.017 0.000 0.801 33 K CB 2.316 34.672 32.500 -0.240 0.000 1.139 33 K HN -0.096 nan 8.250 nan 0.000 0.424 34 P HA -0.060 nan 4.420 nan 0.000 0.264 34 P C 0.705 178.101 177.300 0.160 0.000 1.179 34 P CA 0.410 63.564 63.100 0.089 0.000 0.763 34 P CB 0.479 32.216 31.700 0.062 0.000 0.806 35 M N 2.394 122.078 119.600 0.140 0.000 2.089 35 M HA -0.200 4.280 4.480 0.000 0.000 0.257 35 M C 1.954 178.336 176.300 0.136 0.000 1.071 35 M CA 1.930 57.308 55.300 0.130 0.000 1.096 35 M CB -0.813 31.823 32.600 0.061 0.000 1.330 35 M HN 0.192 nan 8.290 nan 0.000 0.403 36 V N 0.319 120.282 119.914 0.081 0.000 2.490 36 V HA -0.258 3.863 4.120 0.000 0.000 0.250 36 V C 2.320 178.430 176.094 0.026 0.000 1.061 36 V CA 2.032 64.358 62.300 0.043 0.000 1.064 36 V CB -0.411 31.418 31.823 0.009 0.000 0.670 36 V HN 0.393 nan 8.190 nan 0.000 0.461 37 K N -0.254 120.158 120.400 0.020 0.000 2.057 37 K HA -0.186 4.135 4.320 0.000 0.000 0.207 37 K C 2.034 178.604 176.600 -0.050 0.000 1.049 37 K CA 1.930 58.192 56.287 -0.041 0.000 0.931 37 K CB -0.660 31.794 32.500 -0.078 0.000 0.714 37 K HN 0.687 nan 8.250 nan 0.000 0.440 38 H N -0.448 118.611 119.070 -0.018 0.000 2.319 38 H HA -0.107 4.450 4.556 0.000 0.000 0.299 38 H C 2.007 177.347 175.328 0.019 0.000 1.092 38 H CA 1.975 58.023 56.048 -0.001 0.000 1.302 38 H CB -0.093 29.652 29.762 -0.029 0.000 1.373 38 H HN 0.044 nan 8.280 nan 0.000 0.497 39 V N 1.134 121.132 119.914 0.139 0.000 2.358 39 V HA -0.201 3.920 4.120 0.000 0.000 0.246 39 V C 2.699 178.813 176.094 0.033 0.000 1.047 39 V CA 1.304 63.652 62.300 0.080 0.000 1.035 39 V CB -0.514 31.344 31.823 0.057 0.000 0.658 39 V HN 0.254 nan 8.190 nan 0.000 0.452 40 I N 0.352 120.921 120.570 -0.002 0.000 2.163 40 I HA -0.267 3.904 4.170 0.000 0.000 0.243 40 I C 2.335 178.454 176.117 0.005 0.000 1.085 40 I CA 1.764 63.042 61.300 -0.036 0.000 1.347 40 I CB -0.495 37.453 38.000 -0.088 0.000 1.044 40 I HN 0.312 nan 8.210 nan 0.000 0.408 41 D N 0.288 120.697 120.400 0.015 0.000 2.117 41 D HA -0.146 4.494 4.640 0.000 0.000 0.197 41 D C 2.246 178.602 176.300 0.093 0.000 0.987 41 D CA 1.652 55.683 54.000 0.052 0.000 0.829 41 D CB -0.456 40.358 40.800 0.023 0.000 0.961 41 D HN 0.274 nan 8.370 nan 0.000 0.460 42 T N 0.735 115.339 114.554 0.084 0.000 2.746 42 T HA -0.124 4.226 4.350 0.000 0.000 0.267 42 T C 2.007 176.740 174.700 0.054 0.000 1.039 42 T CA 1.518 63.666 62.100 0.079 0.000 1.142 42 T CB -0.301 68.623 68.868 0.093 0.000 0.866 42 T HN 0.199 nan 8.240 nan 0.000 0.444 43 A N 1.056 123.903 122.820 0.045 0.000 1.908 43 A HA -0.194 4.126 4.320 0.000 0.000 0.218 43 A C 2.040 179.646 177.584 0.037 0.000 1.181 43 A CA 2.269 54.320 52.037 0.022 0.000 0.627 43 A CB -0.942 18.055 19.000 -0.005 0.000 0.818 43 A HN 0.644 nan 8.150 nan 0.000 0.445 44 H N 0.287 119.336 119.070 -0.036 0.000 2.321 44 H HA -0.164 4.393 4.556 0.000 0.000 0.300 44 H C 2.235 177.551 175.328 -0.020 0.000 1.087 44 H CA 2.129 58.155 56.048 -0.036 0.000 1.319 44 H CB -0.229 29.510 29.762 -0.039 0.000 1.379 44 H HN 0.693 nan 8.280 nan 0.000 0.501 45 Q N 0.142 119.913 119.800 -0.049 0.000 2.291 45 Q HA -0.086 4.254 4.340 0.000 0.000 0.205 45 Q C 1.811 177.758 176.000 -0.089 0.000 0.970 45 Q CA 1.272 57.017 55.803 -0.096 0.000 0.876 45 Q CB -0.230 28.510 28.738 0.004 0.000 0.935 45 Q HN 0.530 nan 8.270 nan 0.000 0.455 46 L N 0.241 121.430 121.223 -0.057 0.000 2.465 46 L HA 0.060 4.400 4.340 0.000 0.000 0.224 46 L C 1.152 177.980 176.870 -0.071 0.000 1.145 46 L CA 0.782 55.595 54.840 -0.045 0.000 0.834 46 L CB -0.225 41.822 42.059 -0.020 0.000 0.944 46 L HN 0.638 nan 8.230 nan 0.000 0.451 47 G N -0.633 108.092 108.800 -0.124 0.000 2.140 47 G HA2 -0.230 3.730 3.960 0.000 0.000 0.211 47 G HA3 -0.230 3.730 3.960 0.000 0.000 0.211 47 G C 0.180 175.033 174.900 -0.079 0.000 1.013 47 G CA 0.043 45.069 45.100 -0.124 0.000 0.705 47 G HN 0.220 nan 8.290 nan 0.000 0.508 48 S N -0.251 115.411 115.700 -0.063 0.000 2.525 48 S HA 0.275 4.745 4.470 0.000 0.000 0.285 48 S C 1.338 175.923 174.600 -0.025 0.000 1.283 48 S CA 0.560 58.738 58.200 -0.037 0.000 1.072 48 S CB 1.668 64.847 63.200 -0.034 0.000 0.867 48 S HN 0.575 nan 8.310 nan 0.000 0.492 49 E N 3.492 123.676 120.200 -0.028 0.000 2.051 49 E HA -0.059 4.292 4.350 0.000 0.000 0.189 49 E C -0.113 176.459 176.600 -0.048 0.000 0.979 49 E CA 0.790 57.179 56.400 -0.019 0.000 0.803 49 E CB 0.220 29.918 29.700 -0.003 0.000 0.761 49 E HN 0.721 nan 8.360 nan 0.000 0.451 50 N N -0.578 118.064 118.700 -0.097 0.000 2.335 50 N HA 0.440 5.180 4.740 0.000 0.000 0.304 50 N C -1.262 174.049 175.510 -0.332 0.000 1.135 50 N CA -0.546 52.356 53.050 -0.246 0.000 0.817 50 N CB 2.385 40.679 38.487 -0.322 0.000 1.294 50 N HN -0.038 nan 8.380 nan 0.000 0.497 51 I N 1.914 122.238 120.570 -0.411 0.000 2.448 51 I HA 0.174 4.344 4.170 0.000 0.000 0.281 51 I C -0.746 175.106 176.117 -0.441 0.000 1.027 51 I CA -0.670 60.422 61.300 -0.345 0.000 1.111 51 I CB 0.803 38.669 38.000 -0.222 0.000 1.236 51 I HN 0.424 nan 8.210 nan 0.000 0.452 52 H N 6.560 125.561 119.070 -0.114 0.000 2.782 52 H HA 0.250 4.806 4.556 0.000 0.000 0.285 52 H C -0.568 174.671 175.328 -0.148 0.000 1.093 52 H CA -0.679 55.293 56.048 -0.127 0.000 1.410 52 H CB 1.810 31.564 29.762 -0.015 0.000 1.439 52 H HN 0.321 nan 8.280 nan 0.000 0.469 53 L N 5.832 126.964 121.223 -0.151 0.000 2.259 53 L HA 0.198 4.538 4.340 0.000 0.000 0.288 53 L C -0.510 176.364 176.870 0.007 0.000 1.051 53 L CA -0.474 54.255 54.840 -0.186 0.000 0.824 53 L CB 0.175 41.926 42.059 -0.513 0.000 1.206 53 L HN 0.417 nan 8.230 nan 0.000 0.429 54 I N 6.994 127.599 120.570 0.059 0.000 2.322 54 I HA 0.194 4.364 4.170 0.000 0.000 0.292 54 I C -0.122 176.123 176.117 0.214 0.000 1.060 54 I CA -0.272 61.103 61.300 0.125 0.000 1.309 54 I CB -0.310 37.722 38.000 0.054 0.000 1.415 54 I HN 0.594 nan 8.210 nan 0.000 0.492 55 Y N 4.233 124.570 120.300 0.061 0.000 2.633 55 Y HA 0.933 5.483 4.550 0.000 0.000 0.339 55 Y C 0.295 176.248 175.900 0.088 0.000 1.045 55 Y CA -0.895 57.265 58.100 0.100 0.000 1.098 55 Y CB 1.618 40.188 38.460 0.183 0.000 1.296 55 Y HN 0.556 nan 8.280 nan 0.000 0.494 56 G N -0.139 108.631 108.800 -0.050 0.000 3.645 56 G HA2 0.067 4.027 3.960 0.000 0.000 0.122 56 G HA3 0.067 4.027 3.960 0.000 0.000 0.122 56 G C -1.160 173.667 174.900 -0.121 0.000 1.252 56 G CA -0.535 44.447 45.100 -0.196 0.000 1.225 56 G HN 0.755 nan 8.290 nan 0.000 0.541 57 H N 0.727 119.807 119.070 0.017 0.000 2.897 57 H HA 0.413 4.969 4.556 0.000 0.000 0.347 57 H C 1.330 176.689 175.328 0.052 0.000 1.068 57 H CA 1.541 57.604 56.048 0.026 0.000 1.426 57 H CB 0.860 30.635 29.762 0.021 0.000 1.410 57 H HN 1.133 nan 8.280 nan 0.000 0.597 58 G N 2.249 111.135 108.800 0.143 0.000 2.249 58 G HA2 -0.311 3.649 3.960 0.000 0.000 0.273 58 G HA3 -0.311 3.649 3.960 0.000 0.000 0.273 58 G C 1.451 176.420 174.900 0.115 0.000 1.036 58 G CA 0.605 45.759 45.100 0.091 0.000 0.824 58 G HN 0.999 nan 8.290 nan 0.000 0.504 59 G N 0.036 108.919 108.800 0.140 0.000 2.476 59 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 59 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 59 G C 1.270 176.272 174.900 0.170 0.000 1.164 59 G CA 1.679 46.938 45.100 0.265 0.000 0.768 59 G HN 0.515 nan 8.290 nan 0.000 0.560 60 D N 0.188 120.633 120.400 0.076 0.000 2.104 60 D HA -0.074 4.567 4.640 0.000 0.000 0.194 60 D C 2.644 178.961 176.300 0.029 0.000 0.994 60 D CA 0.634 54.650 54.000 0.026 0.000 0.830 60 D CB -0.235 40.577 40.800 0.019 0.000 0.959 60 D HN 0.329 nan 8.370 nan 0.000 0.452 61 L N -0.288 120.954 121.223 0.032 0.000 2.093 61 L HA -0.125 4.216 4.340 0.000 0.000 0.208 61 L C 2.410 179.285 176.870 0.009 0.000 1.085 61 L CA 0.535 55.380 54.840 0.007 0.000 0.755 61 L CB -0.338 41.639 42.059 -0.136 0.000 0.904 61 L HN 0.107 nan 8.230 nan 0.000 0.435 62 M N -0.377 119.246 119.600 0.039 0.000 2.082 62 M HA -0.198 4.282 4.480 0.000 0.000 0.258 62 M C 2.459 178.841 176.300 0.137 0.000 1.069 62 M CA 1.770 57.147 55.300 0.129 0.000 1.102 62 M CB -1.111 31.641 32.600 0.254 0.000 1.336 62 M HN 0.230 nan 8.290 nan 0.000 0.404 63 R N -0.136 120.301 120.500 -0.105 0.000 2.096 63 R HA -0.088 4.252 4.340 0.000 0.000 0.235 63 R C 2.247 178.468 176.300 -0.131 0.000 1.127 63 R CA 2.045 57.906 56.100 -0.398 0.000 0.968 63 R CB -1.297 28.701 30.300 -0.502 0.000 0.861 63 R HN 0.606 nan 8.270 nan 0.000 0.440 64 T N -2.288 112.269 114.554 0.006 0.000 2.851 64 T HA -0.078 4.272 4.350 0.000 0.000 0.262 64 T C 1.633 176.382 174.700 0.081 0.000 1.043 64 T CA 1.038 63.163 62.100 0.043 0.000 1.140 64 T CB -0.345 68.569 68.868 0.076 0.000 0.872 64 T HN 0.236 nan 8.240 nan 0.000 0.446 65 H N 0.907 119.980 119.070 0.005 0.000 2.462 65 H HA 0.372 4.928 4.556 0.000 0.000 0.292 65 H C 1.244 176.595 175.328 0.039 0.000 1.049 65 H CA 0.722 56.780 56.048 0.018 0.000 1.334 65 H CB -0.104 29.668 29.762 0.017 0.000 1.404 65 H HN 0.328 nan 8.280 nan 0.000 0.544 66 L N -0.595 120.755 121.223 0.212 0.000 3.202 66 L HA 0.386 4.726 4.340 0.000 0.000 0.278 66 L C 1.718 178.735 176.870 0.244 0.000 1.268 66 L CA -0.035 54.926 54.840 0.202 0.000 1.034 66 L CB 0.492 42.691 42.059 0.233 0.000 1.407 66 L HN 0.145 nan 8.230 nan 0.000 0.581 67 A N 0.327 123.227 122.820 0.132 0.000 1.986 67 A HA -0.233 4.088 4.320 0.000 0.000 0.220 67 A C 1.879 179.519 177.584 0.093 0.000 1.171 67 A CA 1.869 53.951 52.037 0.075 0.000 0.640 67 A CB -0.418 18.574 19.000 -0.012 0.000 0.811 67 A HN 0.593 nan 8.150 nan 0.000 0.451 68 N N -0.277 118.459 118.700 0.060 0.000 2.322 68 N HA -0.013 4.727 4.740 0.000 0.000 0.194 68 N C -0.673 174.843 175.510 0.011 0.000 1.126 68 N CA -0.132 52.934 53.050 0.026 0.000 0.845 68 N CB 0.110 38.593 38.487 -0.005 0.000 0.976 68 N HN 0.336 nan 8.380 nan 0.000 0.475 69 E N 1.040 121.261 120.200 0.035 0.000 2.338 69 E HA 0.043 4.394 4.350 0.000 0.000 0.272 69 E C -0.261 176.296 176.600 -0.071 0.000 1.029 69 E CA 0.152 56.523 56.400 -0.049 0.000 0.872 69 E CB 0.942 30.585 29.700 -0.094 0.000 1.015 69 E HN 0.262 nan 8.360 nan 0.000 0.417 70 Q N 1.562 121.283 119.800 -0.131 0.000 2.844 70 Q HA 0.214 4.554 4.340 0.000 0.000 0.235 70 Q C -0.056 175.827 176.000 -0.194 0.000 1.336 70 Q CA -0.292 55.431 55.803 -0.133 0.000 1.026 70 Q CB 0.026 28.680 28.738 -0.140 0.000 1.513 70 Q HN 0.298 nan 8.270 nan 0.000 0.577 71 V N -1.428 118.330 119.914 -0.259 0.000 3.040 71 V HA 0.472 4.592 4.120 0.000 0.000 0.312 71 V C -0.648 175.210 176.094 -0.393 0.000 1.115 71 V CA -1.312 60.744 62.300 -0.406 0.000 0.998 71 V CB 2.235 33.672 31.823 -0.643 0.000 1.042 71 V HN 0.526 nan 8.190 nan 0.000 0.433 72 N N 1.799 120.274 118.700 -0.375 0.000 2.408 72 N HA 0.272 5.012 4.740 0.000 0.000 0.257 72 N C -1.363 173.993 175.510 -0.256 0.000 1.064 72 N CA -0.564 52.333 53.050 -0.255 0.000 0.952 72 N CB 0.662 39.001 38.487 -0.246 0.000 1.093 72 N HN 0.772 nan 8.380 nan 0.000 0.490 73 W N 4.123 125.366 121.300 -0.095 0.000 2.507 73 W HA 0.261 4.922 4.660 0.000 0.000 0.334 73 W C -0.350 176.265 176.519 0.159 0.000 1.165 73 W CA -0.593 56.736 57.345 -0.026 0.000 1.460 73 W CB 0.583 29.981 29.460 -0.104 0.000 1.404 73 W HN 0.114 nan 8.180 nan 0.000 0.435 74 V N 6.512 126.661 119.914 0.391 0.000 2.293 74 V HA 0.159 4.279 4.120 0.000 0.000 0.275 74 V C -0.309 175.928 176.094 0.238 0.000 1.021 74 V CA -0.986 61.470 62.300 0.260 0.000 0.815 74 V CB 0.710 32.605 31.823 0.120 0.000 1.025 74 V HN 0.217 nan 8.190 nan 0.000 0.448 75 L N 5.040 126.309 121.223 0.076 0.000 2.283 75 L HA 0.385 4.725 4.340 0.000 0.000 0.287 75 L C 0.257 177.004 176.870 -0.205 0.000 1.073 75 L CA 0.420 55.041 54.840 -0.365 0.000 0.822 75 L CB 1.000 42.825 42.059 -0.391 0.000 1.186 75 L HN 0.763 nan 8.230 nan 0.000 0.436 76 Q N 2.463 122.140 119.800 -0.204 0.000 2.337 76 Q HA 0.142 4.483 4.340 0.000 0.000 0.255 76 Q C 0.853 176.792 176.000 -0.101 0.000 0.997 76 Q CA 0.265 56.008 55.803 -0.100 0.000 0.925 76 Q CB 1.023 29.736 28.738 -0.042 0.000 1.212 76 Q HN 0.879 nan 8.270 nan 0.000 0.436 77 T N 0.592 115.110 114.554 -0.059 0.000 2.951 77 T HA -0.082 4.269 4.350 0.000 0.000 0.268 77 T C 0.106 174.777 174.700 -0.047 0.000 1.073 77 T CA 0.896 62.955 62.100 -0.069 0.000 1.134 77 T CB -0.020 68.823 68.868 -0.043 0.000 0.884 77 T HN 0.719 nan 8.240 nan 0.000 0.479 78 E N 0.157 120.369 120.200 0.020 0.000 2.343 78 E HA 0.361 4.711 4.350 0.000 0.000 0.278 78 E C -1.539 175.107 176.600 0.076 0.000 0.910 78 E CA -1.070 55.341 56.400 0.019 0.000 0.757 78 E CB 1.280 30.973 29.700 -0.012 0.000 1.218 78 E HN 0.147 nan 8.360 nan 0.000 0.435 79 Q N 2.243 122.087 119.800 0.073 0.000 2.423 79 Q HA 0.235 4.575 4.340 0.000 0.000 0.235 79 Q C 0.185 176.209 176.000 0.041 0.000 1.100 79 Q CA -0.008 55.858 55.803 0.104 0.000 0.908 79 Q CB 0.553 29.364 28.738 0.123 0.000 1.312 79 Q HN 0.536 nan 8.270 nan 0.000 0.497 80 L N 1.076 122.304 121.223 0.008 0.000 2.769 80 L HA 0.399 4.739 4.340 0.000 0.000 0.240 80 L C 0.693 177.593 176.870 0.050 0.000 1.163 80 L CA -0.356 54.445 54.840 -0.065 0.000 0.962 80 L CB 0.236 42.082 42.059 -0.354 0.000 1.258 80 L HN 0.733 nan 8.230 nan 0.000 0.513 81 G N -0.372 108.465 108.800 0.061 0.000 2.362 81 G HA2 -0.149 3.811 3.960 0.000 0.000 0.656 81 G HA3 -0.149 3.811 3.960 0.000 0.000 0.656 81 G C 0.430 175.396 174.900 0.111 0.000 1.376 81 G CA -0.208 44.887 45.100 -0.008 0.000 0.971 81 G HN 0.046 nan 8.290 nan 0.000 0.636 82 T N -1.576 113.040 114.554 0.104 0.000 2.833 82 T HA 0.160 4.510 4.350 0.000 0.000 0.269 82 T C 2.589 177.403 174.700 0.191 0.000 1.054 82 T CA 2.356 64.571 62.100 0.191 0.000 1.135 82 T CB -0.248 68.789 68.868 0.281 0.000 0.869 82 T HN 1.910 nan 8.240 nan 0.000 0.466 83 A N 1.425 124.372 122.820 0.213 0.000 1.930 83 A HA -0.122 4.198 4.320 0.000 0.000 0.217 83 A C 2.343 180.020 177.584 0.154 0.000 1.175 83 A CA 1.506 53.675 52.037 0.221 0.000 0.627 83 A CB -1.135 18.028 19.000 0.272 0.000 0.815 83 A HN 0.754 nan 8.150 nan 0.000 0.443 84 H N 0.016 119.112 119.070 0.043 0.000 2.353 84 H HA -0.074 4.482 4.556 0.000 0.000 0.300 84 H C 2.253 177.565 175.328 -0.027 0.000 1.090 84 H CA 1.535 57.549 56.048 -0.057 0.000 1.327 84 H CB -0.072 29.643 29.762 -0.078 0.000 1.383 84 H HN 0.416 nan 8.280 nan 0.000 0.508 85 A N 0.641 123.462 122.820 0.001 0.000 1.858 85 A HA -0.121 4.199 4.320 0.000 0.000 0.216 85 A C 2.825 180.361 177.584 -0.080 0.000 1.190 85 A CA 1.756 53.763 52.037 -0.050 0.000 0.617 85 A CB -0.988 18.046 19.000 0.057 0.000 0.827 85 A HN 0.306 nan 8.150 nan 0.000 0.443 86 V N -0.014 119.888 119.914 -0.019 0.000 2.407 86 V HA -0.301 3.819 4.120 0.000 0.000 0.248 86 V C 2.659 178.698 176.094 -0.091 0.000 1.055 86 V CA 2.219 64.508 62.300 -0.019 0.000 1.049 86 V CB -0.831 31.006 31.823 0.024 0.000 0.662 86 V HN 0.734 nan 8.190 nan 0.000 0.455 87 Q N -0.672 119.060 119.800 -0.114 0.000 2.291 87 Q HA -0.231 4.110 4.340 0.000 0.000 0.206 87 Q C 2.331 178.160 176.000 -0.284 0.000 0.976 87 Q CA 1.143 56.833 55.803 -0.190 0.000 0.875 87 Q CB 0.006 28.655 28.738 -0.148 0.000 0.927 87 Q HN 0.612 nan 8.270 nan 0.000 0.450 88 Q N -0.808 118.822 119.800 -0.283 0.000 2.170 88 Q HA -0.131 4.209 4.340 0.000 0.000 0.203 88 Q C 1.644 177.553 176.000 -0.152 0.000 0.976 88 Q CA 1.437 57.104 55.803 -0.227 0.000 0.858 88 Q CB -0.074 28.547 28.738 -0.194 0.000 0.907 88 Q HN 0.433 nan 8.270 nan 0.000 0.433 89 A N 0.163 122.849 122.820 -0.224 0.000 2.147 89 A HA 0.294 4.614 4.320 0.000 0.000 0.211 89 A C 2.211 179.302 177.584 -0.820 0.000 1.160 89 A CA 0.852 52.723 52.037 -0.276 0.000 0.781 89 A CB -0.150 18.710 19.000 -0.233 0.000 0.842 89 A HN 0.282 nan 8.150 nan 0.000 0.475 90 A N 1.233 123.398 122.820 -1.093 0.000 1.940 90 A HA -0.063 4.257 4.320 0.000 0.000 0.219 90 A C 0.000 177.017 177.584 -0.945 0.000 1.176 90 A CA 1.871 52.959 52.037 -1.581 0.000 0.631 90 A CB -1.568 16.991 19.000 -0.735 0.000 0.814 90 A HN 0.431 nan 8.150 nan 0.000 0.446 91 P HA -0.104 nan 4.420 nan 0.000 0.223 91 P C 0.477 177.374 177.300 -0.671 0.000 1.144 91 P CA 0.876 63.580 63.100 -0.661 0.000 0.783 91 P CB -0.151 31.070 31.700 -0.799 0.000 0.771 92 F N -2.831 116.915 119.950 -0.340 0.000 2.727 92 F HA 0.220 4.747 4.527 0.000 0.000 0.302 92 F C 1.035 176.877 175.800 0.070 0.000 1.097 92 F CA -0.467 57.453 58.000 -0.132 0.000 1.330 92 F CB -0.690 38.228 39.000 -0.137 0.000 1.084 92 F HN -0.201 nan 8.300 nan 0.000 0.578 93 F N 1.814 121.772 119.950 0.014 0.000 2.495 93 F HA 0.172 4.699 4.527 0.000 0.000 0.365 93 F C 0.857 176.686 175.800 0.047 0.000 1.090 93 F CA -0.937 57.087 58.000 0.040 0.000 1.235 93 F CB 0.419 39.421 39.000 0.004 0.000 1.119 93 F HN -0.263 nan 8.300 nan 0.000 0.562 94 K N 2.697 123.248 120.400 0.251 0.000 2.298 94 K HA 0.014 4.334 4.320 0.000 0.000 0.280 94 K C 0.331 177.003 176.600 0.120 0.000 1.032 94 K CA -0.579 55.795 56.287 0.144 0.000 0.958 94 K CB 0.813 33.377 32.500 0.106 0.000 0.978 94 K HN 0.528 nan 8.250 nan 0.000 0.472 95 D N 1.754 122.201 120.400 0.079 0.000 2.149 95 D HA -0.150 4.490 4.640 0.000 0.000 0.198 95 D C 0.371 176.691 176.300 0.033 0.000 0.990 95 D CA 1.630 55.661 54.000 0.051 0.000 0.839 95 D CB 0.027 40.839 40.800 0.020 0.000 0.948 95 D HN 0.528 nan 8.370 nan 0.000 0.460 96 N N 0.263 118.981 118.700 0.031 0.000 2.321 96 N HA 0.069 4.810 4.740 0.000 0.000 0.242 96 N C -0.407 175.116 175.510 0.021 0.000 1.141 96 N CA -0.221 52.840 53.050 0.018 0.000 0.864 96 N CB 0.731 39.225 38.487 0.012 0.000 1.100 96 N HN 0.316 nan 8.380 nan 0.000 0.510 97 E N -0.475 119.743 120.200 0.030 0.000 2.222 97 E HA 0.329 4.680 4.350 0.000 0.000 0.267 97 E C -0.778 175.828 176.600 0.009 0.000 0.963 97 E CA -0.926 55.486 56.400 0.020 0.000 0.837 97 E CB 0.978 30.695 29.700 0.029 0.000 1.183 97 E HN -0.082 nan 8.360 nan 0.000 0.403 98 N N 1.450 120.152 118.700 0.004 0.000 2.530 98 N HA 0.258 4.998 4.740 0.000 0.000 0.277 98 N C -0.642 174.850 175.510 -0.031 0.000 1.168 98 N CA -0.130 52.925 53.050 0.009 0.000 0.979 98 N CB 0.686 39.183 38.487 0.016 0.000 1.141 98 N HN 0.440 nan 8.380 nan 0.000 0.459 99 I N 1.489 122.049 120.570 -0.017 0.000 2.436 99 I HA 0.268 4.438 4.170 0.000 0.000 0.289 99 I C -0.190 175.924 176.117 -0.006 0.000 1.010 99 I CA -0.799 60.406 61.300 -0.159 0.000 1.098 99 I CB 1.567 39.208 38.000 -0.600 0.000 1.266 99 I HN 0.051 nan 8.210 nan 0.000 0.434 100 V N 7.798 127.678 119.914 -0.056 0.000 2.435 100 V HA 0.539 4.659 4.120 0.000 0.000 0.290 100 V C -0.519 175.534 176.094 -0.069 0.000 1.030 100 V CA -0.385 61.913 62.300 -0.004 0.000 0.881 100 V CB 2.141 33.968 31.823 0.007 0.000 0.983 100 V HN 0.432 nan 8.190 nan 0.000 0.445 101 V N 8.203 128.095 119.914 -0.036 0.000 2.370 101 V HA 0.546 4.666 4.120 0.000 0.000 0.283 101 V C -0.047 175.929 176.094 -0.196 0.000 1.023 101 V CA -0.329 61.888 62.300 -0.138 0.000 0.857 101 V CB 1.218 32.986 31.823 -0.092 0.000 0.985 101 V HN 0.752 nan 8.190 nan 0.000 0.443 102 L N 4.356 125.386 121.223 -0.322 0.000 2.327 102 L HA 0.660 5.000 4.340 0.000 0.000 0.258 102 L C -1.473 175.068 176.870 -0.548 0.000 1.024 102 L CA -0.901 53.772 54.840 -0.278 0.000 0.825 102 L CB 2.430 44.443 42.059 -0.076 0.000 1.386 102 L HN 0.463 nan 8.230 nan 0.000 0.417 103 Y N -0.914 119.412 120.300 0.043 0.000 2.341 103 Y HA 0.346 4.896 4.550 0.000 0.000 0.338 103 Y C 1.077 177.000 175.900 0.037 0.000 0.965 103 Y CA -0.632 57.495 58.100 0.045 0.000 1.108 103 Y CB 1.912 40.403 38.460 0.051 0.000 1.180 103 Y HN 0.685 nan 8.280 nan 0.000 0.458 104 G N 0.927 109.806 108.800 0.132 0.000 2.498 104 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 104 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 104 G C 0.693 175.654 174.900 0.101 0.000 1.119 104 G CA 0.968 46.123 45.100 0.090 0.000 0.766 104 G HN 0.756 nan 8.290 nan 0.000 0.552 105 D N -0.264 120.213 120.400 0.130 0.000 2.358 105 D HA 0.390 5.030 4.640 0.000 0.000 0.224 105 D C 0.814 177.158 176.300 0.072 0.000 1.123 105 D CA 0.050 54.106 54.000 0.093 0.000 0.833 105 D CB 0.145 40.997 40.800 0.086 0.000 0.946 105 D HN 0.158 nan 8.370 nan 0.000 0.505 106 A N 1.817 124.694 122.820 0.094 0.000 2.978 106 A HA 0.436 4.756 4.320 0.000 0.000 0.341 106 A C -1.937 175.679 177.584 0.053 0.000 1.105 106 A CA -1.015 51.061 52.037 0.064 0.000 0.819 106 A CB 1.169 20.224 19.000 0.093 0.000 1.080 106 A HN -0.030 nan 8.150 nan 0.000 0.476 107 P HA 0.003 nan 4.420 nan 0.000 0.241 107 P C 0.837 178.134 177.300 -0.006 0.000 1.191 107 P CA 0.487 63.569 63.100 -0.030 0.000 0.771 107 P CB 0.250 31.817 31.700 -0.221 0.000 0.929 108 L N -1.083 120.160 121.223 0.033 0.000 2.592 108 L HA 0.164 4.504 4.340 0.000 0.000 0.227 108 L C 1.285 178.242 176.870 0.145 0.000 1.127 108 L CA -0.636 54.285 54.840 0.136 0.000 0.884 108 L CB -0.420 41.724 42.059 0.140 0.000 1.065 108 L HN -0.085 nan 8.230 nan 0.000 0.457 109 I N 1.580 122.212 120.570 0.103 0.000 2.752 109 I HA -0.074 4.097 4.170 0.000 0.000 0.289 109 I C 0.980 177.165 176.117 0.114 0.000 1.197 109 I CA 0.398 61.757 61.300 0.098 0.000 1.432 109 I CB 0.664 38.718 38.000 0.091 0.000 1.359 109 I HN 0.132 nan 8.210 nan 0.000 0.571 110 T N 3.815 118.431 114.554 0.102 0.000 2.928 110 T HA 0.290 4.641 4.350 0.000 0.000 0.284 110 T C 0.961 175.705 174.700 0.073 0.000 1.008 110 T CA -0.638 61.521 62.100 0.099 0.000 1.057 110 T CB 1.399 70.324 68.868 0.094 0.000 1.018 110 T HN 0.752 nan 8.240 nan 0.000 0.493 111 K N 0.751 121.191 120.400 0.067 0.000 2.063 111 K HA -0.214 4.107 4.320 0.000 0.000 0.208 111 K C 1.670 178.292 176.600 0.036 0.000 1.048 111 K CA 1.918 58.233 56.287 0.045 0.000 0.928 111 K CB -0.186 32.337 32.500 0.038 0.000 0.713 111 K HN 0.711 nan 8.250 nan 0.000 0.442 112 E N -0.014 120.209 120.200 0.039 0.000 2.077 112 E HA -0.112 4.238 4.350 0.000 0.000 0.193 112 E C 1.980 178.598 176.600 0.031 0.000 0.989 112 E CA 1.881 58.300 56.400 0.031 0.000 0.800 112 E CB -0.332 29.386 29.700 0.030 0.000 0.746 112 E HN 0.310 nan 8.360 nan 0.000 0.452 113 T N 0.717 115.295 114.554 0.039 0.000 2.746 113 T HA -0.067 4.284 4.350 0.000 0.000 0.267 113 T C 1.777 176.499 174.700 0.036 0.000 1.039 113 T CA 0.841 62.964 62.100 0.038 0.000 1.142 113 T CB -0.173 68.721 68.868 0.044 0.000 0.866 113 T HN 0.064 nan 8.240 nan 0.000 0.444 114 L N 0.471 121.718 121.223 0.039 0.000 2.156 114 L HA 0.005 4.346 4.340 0.000 0.000 0.208 114 L C 2.641 179.528 176.870 0.028 0.000 1.095 114 L CA 1.097 55.959 54.840 0.037 0.000 0.770 114 L CB -0.471 41.611 42.059 0.039 0.000 0.914 114 L HN 0.299 nan 8.230 nan 0.000 0.439 115 E N 0.286 120.500 120.200 0.023 0.000 2.077 115 E HA -0.259 4.091 4.350 0.000 0.000 0.193 115 E C 2.102 178.712 176.600 0.017 0.000 0.989 115 E CA 1.095 57.504 56.400 0.016 0.000 0.800 115 E CB 0.053 29.761 29.700 0.012 0.000 0.746 115 E HN 0.306 nan 8.360 nan 0.000 0.452 116 K N 0.623 121.035 120.400 0.020 0.000 2.057 116 K HA -0.167 4.154 4.320 0.000 0.000 0.207 116 K C 2.150 178.762 176.600 0.021 0.000 1.049 116 K CA 0.671 56.969 56.287 0.019 0.000 0.931 116 K CB -0.085 32.427 32.500 0.019 0.000 0.714 116 K HN -0.011 nan 8.250 nan 0.000 0.440 117 L N 1.321 122.560 121.223 0.026 0.000 1.989 117 L HA -0.155 4.186 4.340 0.000 0.000 0.211 117 L C 1.897 178.785 176.870 0.031 0.000 1.071 117 L CA 1.674 56.533 54.840 0.032 0.000 0.749 117 L CB -0.332 41.751 42.059 0.041 0.000 0.890 117 L HN 0.229 nan 8.230 nan 0.000 0.431 118 I N -0.585 120.002 120.570 0.029 0.000 2.226 118 I HA -0.305 3.865 4.170 0.000 0.000 0.245 118 I C 2.529 178.659 176.117 0.021 0.000 1.100 118 I CA 1.640 62.956 61.300 0.026 0.000 1.374 118 I CB -0.366 37.646 38.000 0.020 0.000 1.057 118 I HN 0.428 nan 8.210 nan 0.000 0.413 119 E N 1.060 121.270 120.200 0.017 0.000 2.118 119 E HA -0.241 4.110 4.350 0.000 0.000 0.195 119 E C 2.148 178.757 176.600 0.015 0.000 0.992 119 E CA 1.248 57.656 56.400 0.014 0.000 0.804 119 E CB -0.013 29.694 29.700 0.012 0.000 0.741 119 E HN 0.518 nan 8.360 nan 0.000 0.458 120 A N 0.944 123.774 122.820 0.017 0.000 2.167 120 A HA -0.042 4.279 4.320 0.000 0.000 0.214 120 A C 1.181 178.776 177.584 0.019 0.000 1.151 120 A CA 0.079 52.126 52.037 0.016 0.000 0.735 120 A CB -0.160 18.850 19.000 0.017 0.000 0.802 120 A HN 0.028 nan 8.150 nan 0.000 0.467 121 K N 1.862 122.275 120.400 0.022 0.000 2.402 121 K HA 0.152 4.472 4.320 0.000 0.000 0.285 121 K C -2.537 174.077 176.600 0.024 0.000 1.054 121 K CA -1.422 54.881 56.287 0.026 0.000 1.001 121 K CB 0.458 32.977 32.500 0.031 0.000 0.946 121 K HN 0.137 nan 8.250 nan 0.000 0.473 122 P HA 0.074 nan 4.420 nan 0.000 0.277 122 P C -0.814 176.503 177.300 0.029 0.000 1.240 122 P CA -0.370 62.745 63.100 0.025 0.000 0.798 122 P CB 0.624 32.340 31.700 0.027 0.000 0.979 123 E N 1.973 122.186 120.200 0.023 0.000 2.465 123 E HA -0.100 4.250 4.350 0.000 0.000 0.260 123 E C 0.177 176.794 176.600 0.027 0.000 0.980 123 E CA 0.094 56.505 56.400 0.018 0.000 0.927 123 E CB -0.306 29.401 29.700 0.012 0.000 0.934 123 E HN 0.316 nan 8.360 nan 0.000 0.459 124 N N 1.680 120.389 118.700 0.014 0.000 2.713 124 N HA -0.189 4.551 4.740 0.000 0.000 0.251 124 N C -0.205 175.373 175.510 0.113 0.000 1.117 124 N CA 1.188 54.245 53.050 0.012 0.000 0.770 124 N CB -1.266 37.225 38.487 0.007 0.000 1.137 124 N HN 0.593 nan 8.380 nan 0.000 0.566 125 G N -0.726 108.143 108.800 0.116 0.000 3.107 125 G HA2 0.842 4.802 3.960 0.000 0.000 0.232 125 G HA3 0.842 4.802 3.960 0.000 0.000 0.232 125 G C -0.502 174.482 174.900 0.140 0.000 1.339 125 G CA -0.605 44.594 45.100 0.165 0.000 1.033 125 G HN 0.112 nan 8.290 nan 0.000 0.567 126 I N 0.191 120.804 120.570 0.071 0.000 2.582 126 I HA 0.550 4.720 4.170 0.000 0.000 0.292 126 I C -0.127 176.003 176.117 0.021 0.000 1.066 126 I CA -0.981 60.337 61.300 0.030 0.000 1.053 126 I CB 2.436 40.420 38.000 -0.026 0.000 1.241 126 I HN 0.541 nan 8.210 nan 0.000 0.421 127 A N 6.248 129.087 122.820 0.032 0.000 2.260 127 A HA 0.713 5.034 4.320 0.000 0.000 0.314 127 A C -1.068 176.542 177.584 0.043 0.000 1.257 127 A CA -0.373 51.683 52.037 0.033 0.000 0.871 127 A CB 0.802 19.824 19.000 0.037 0.000 1.166 127 A HN 0.564 nan 8.150 nan 0.000 0.522 128 L N 3.339 124.582 121.223 0.032 0.000 2.296 128 L HA 0.592 4.932 4.340 0.000 0.000 0.286 128 L C -0.721 176.172 176.870 0.038 0.000 1.023 128 L CA -0.693 54.172 54.840 0.041 0.000 0.812 128 L CB 1.424 43.497 42.059 0.023 0.000 1.223 128 L HN 0.635 nan 8.230 nan 0.000 0.421 129 L N 5.270 126.525 121.223 0.053 0.000 2.319 129 L HA 0.547 4.888 4.340 0.000 0.000 0.280 129 L C 0.280 177.163 176.870 0.022 0.000 1.099 129 L CA 0.567 55.431 54.840 0.041 0.000 0.828 129 L CB 0.812 42.905 42.059 0.057 0.000 1.150 129 L HN 0.903 nan 8.230 nan 0.000 0.442 130 T N 2.153 116.709 114.554 0.003 0.000 2.926 130 T HA 0.791 5.141 4.350 0.000 0.000 0.289 130 T C -0.728 173.950 174.700 -0.035 0.000 1.054 130 T CA -0.805 61.284 62.100 -0.018 0.000 1.015 130 T CB 1.724 70.581 68.868 -0.018 0.000 1.167 130 T HN 0.507 nan 8.240 nan 0.000 0.526 131 V N 0.565 120.441 119.914 -0.064 0.000 3.012 131 V HA 0.490 4.610 4.120 0.000 0.000 0.307 131 V C -1.306 174.736 176.094 -0.087 0.000 1.166 131 V CA -1.047 61.206 62.300 -0.078 0.000 0.974 131 V CB 2.242 33.998 31.823 -0.112 0.000 1.040 131 V HN 1.042 nan 8.190 nan 0.000 0.428 132 N N 5.248 123.907 118.700 -0.069 0.000 2.426 132 N HA 0.545 5.285 4.740 0.000 0.000 0.275 132 N C -1.224 174.241 175.510 -0.074 0.000 1.019 132 N CA -0.333 52.680 53.050 -0.061 0.000 0.941 132 N CB 1.487 39.952 38.487 -0.037 0.000 1.123 132 N HN 0.474 nan 8.380 nan 0.000 0.486 133 L N 1.580 122.755 121.223 -0.080 0.000 2.346 133 L HA 0.250 4.590 4.340 0.000 0.000 0.274 133 L C 1.007 177.856 176.870 -0.034 0.000 1.007 133 L CA -0.599 54.195 54.840 -0.077 0.000 0.818 133 L CB 1.876 43.862 42.059 -0.122 0.000 1.284 133 L HN 0.447 nan 8.230 nan 0.000 0.424 134 D N 0.718 121.106 120.400 -0.021 0.000 2.149 134 D HA -0.108 4.532 4.640 0.000 0.000 0.201 134 D C 0.545 176.849 176.300 0.006 0.000 0.972 134 D CA 1.209 55.206 54.000 -0.006 0.000 0.835 134 D CB 0.340 41.138 40.800 -0.003 0.000 0.966 134 D HN 0.348 nan 8.370 nan 0.000 0.476 135 N N -0.295 118.415 118.700 0.017 0.000 2.706 135 N HA 0.178 4.918 4.740 0.000 0.000 0.240 135 N C -2.294 173.262 175.510 0.076 0.000 1.039 135 N CA -1.737 51.337 53.050 0.039 0.000 0.888 135 N CB 1.564 40.075 38.487 0.042 0.000 1.128 135 N HN -0.056 nan 8.380 nan 0.000 0.512 136 P HA 0.057 nan 4.420 nan 0.000 0.249 136 P C -0.301 177.126 177.300 0.213 0.000 1.229 136 P CA 0.015 63.196 63.100 0.135 0.000 0.788 136 P CB -0.141 31.595 31.700 0.060 0.000 1.072 137 T N 0.808 115.437 114.554 0.124 0.000 2.905 137 T HA 0.264 4.614 4.350 0.000 0.000 0.299 137 T C 1.542 176.237 174.700 -0.008 0.000 1.024 137 T CA 1.608 63.739 62.100 0.052 0.000 1.151 137 T CB -0.164 68.715 68.868 0.019 0.000 0.987 137 T HN 0.394 nan 8.240 nan 0.000 0.535 138 G N 2.353 111.107 108.800 -0.077 0.000 2.234 138 G HA2 -0.225 3.735 3.960 0.000 0.000 0.235 138 G HA3 -0.225 3.735 3.960 0.000 0.000 0.235 138 G C -0.082 174.643 174.900 -0.292 0.000 0.997 138 G CA -0.314 44.648 45.100 -0.230 0.000 0.623 138 G HN 0.696 nan 8.290 nan 0.000 0.514 139 Y N 0.751 121.028 120.300 -0.038 0.000 2.453 139 Y HA 0.562 5.112 4.550 0.000 0.000 0.326 139 Y C 1.237 177.108 175.900 -0.048 0.000 1.186 139 Y CA -0.248 57.825 58.100 -0.045 0.000 1.200 139 Y CB 1.436 39.872 38.460 -0.039 0.000 1.247 139 Y HN 0.265 nan 8.280 nan 0.000 0.482 140 G N 2.770 111.643 108.800 0.122 0.000 2.354 140 G HA2 0.250 4.210 3.960 0.000 0.000 0.266 140 G HA3 0.250 4.210 3.960 0.000 0.000 0.266 140 G C -0.353 174.567 174.900 0.034 0.000 1.242 140 G CA -0.763 44.358 45.100 0.036 0.000 0.923 140 G HN 0.337 nan 8.290 nan 0.000 0.476 141 R N 2.148 122.657 120.500 0.015 0.000 2.340 141 R HA 0.163 4.503 4.340 0.000 0.000 0.300 141 R C 0.270 176.567 176.300 -0.005 0.000 1.069 141 R CA -0.844 55.260 56.100 0.007 0.000 0.984 141 R CB 1.081 31.383 30.300 0.003 0.000 1.003 141 R HN 0.304 nan 8.270 nan 0.000 0.459 142 I N 4.908 125.473 120.570 -0.008 0.000 2.452 142 I HA 0.105 4.275 4.170 0.000 0.000 0.287 142 I C 0.518 176.627 176.117 -0.014 0.000 1.079 142 I CA -0.437 60.855 61.300 -0.013 0.000 1.387 142 I CB 0.322 38.314 38.000 -0.014 0.000 1.404 142 I HN 0.269 nan 8.210 nan 0.000 0.522 143 I N 7.335 127.895 120.570 -0.017 0.000 2.328 143 I HA 0.336 4.506 4.170 0.000 0.000 0.287 143 I C 0.535 176.642 176.117 -0.017 0.000 1.012 143 I CA -0.505 60.785 61.300 -0.016 0.000 1.195 143 I CB 0.543 38.532 38.000 -0.019 0.000 1.350 143 I HN 0.383 nan 8.210 nan 0.000 0.464 144 R N 5.228 125.719 120.500 -0.014 0.000 2.294 144 R HA 0.528 4.868 4.340 0.000 0.000 0.319 144 R C -0.480 175.813 176.300 -0.011 0.000 0.984 144 R CA -0.533 55.560 56.100 -0.013 0.000 0.861 144 R CB 1.736 32.030 30.300 -0.010 0.000 1.104 144 R HN 0.533 nan 8.270 nan 0.000 0.451 145 E N 2.439 122.631 120.200 -0.012 0.000 2.216 145 E HA 0.158 4.508 4.350 0.000 0.000 0.260 145 E C -0.801 175.794 176.600 -0.008 0.000 0.880 145 E CA -0.756 55.638 56.400 -0.010 0.000 0.765 145 E CB 1.303 30.996 29.700 -0.011 0.000 1.174 145 E HN 0.470 nan 8.360 nan 0.000 0.417 146 N N 2.381 121.077 118.700 -0.006 0.000 2.740 146 N HA -0.228 4.512 4.740 0.000 0.000 0.248 146 N C 0.657 176.164 175.510 -0.004 0.000 1.062 146 N CA 1.357 54.405 53.050 -0.004 0.000 0.704 146 N CB -1.290 37.195 38.487 -0.003 0.000 0.968 146 N HN 1.040 nan 8.380 nan 0.000 0.547 147 G N -1.365 107.432 108.800 -0.004 0.000 2.179 147 G HA2 -0.349 3.611 3.960 0.000 0.000 0.260 147 G HA3 -0.349 3.611 3.960 0.000 0.000 0.260 147 G C -0.049 174.848 174.900 -0.005 0.000 0.977 147 G CA 0.593 45.691 45.100 -0.004 0.000 0.641 147 G HN 0.654 nan 8.290 nan 0.000 0.533 148 N N -0.906 117.789 118.700 -0.007 0.000 2.319 148 N HA 0.560 5.301 4.740 0.000 0.000 0.305 148 N C -0.411 175.090 175.510 -0.016 0.000 1.103 148 N CA -0.881 52.163 53.050 -0.011 0.000 0.815 148 N CB 2.539 41.020 38.487 -0.011 0.000 1.288 148 N HN 0.018 nan 8.380 nan 0.000 0.493 149 V N 2.278 122.179 119.914 -0.022 0.000 2.427 149 V HA 0.021 4.142 4.120 0.000 0.000 0.268 149 V C 1.264 177.335 176.094 -0.038 0.000 1.046 149 V CA -0.151 62.133 62.300 -0.027 0.000 0.970 149 V CB 0.693 32.498 31.823 -0.029 0.000 1.001 149 V HN 0.679 nan 8.190 nan 0.000 0.476 150 V N 1.958 121.851 119.914 -0.034 0.000 3.565 150 V HA 0.740 4.860 4.120 0.000 0.000 0.260 150 V C 0.653 176.720 176.094 -0.045 0.000 1.231 150 V CA 0.694 62.971 62.300 -0.039 0.000 1.100 150 V CB -0.140 31.665 31.823 -0.029 0.000 0.807 150 V HN 0.930 nan 8.190 nan 0.000 0.454 151 A N -0.097 122.699 122.820 -0.041 0.000 2.599 151 A HA 0.777 5.097 4.320 0.000 0.000 0.294 151 A C -1.366 176.196 177.584 -0.036 0.000 1.055 151 A CA -0.537 51.475 52.037 -0.041 0.000 0.683 151 A CB 1.115 20.094 19.000 -0.035 0.000 1.278 151 A HN 0.237 nan 8.150 nan 0.000 0.412 152 I N 1.903 122.450 120.570 -0.038 0.000 2.359 152 I HA 0.371 4.541 4.170 0.000 0.000 0.284 152 I C -0.661 175.434 176.117 -0.037 0.000 1.018 152 I CA -0.775 60.506 61.300 -0.032 0.000 1.173 152 I CB 1.668 39.650 38.000 -0.030 0.000 1.326 152 I HN 0.332 nan 8.210 nan 0.000 0.462 153 V N 6.315 126.211 119.914 -0.029 0.000 2.383 153 V HA 0.241 4.361 4.120 0.000 0.000 0.275 153 V C 0.458 176.532 176.094 -0.032 0.000 1.036 153 V CA -0.742 61.539 62.300 -0.032 0.000 0.889 153 V CB 0.991 32.800 31.823 -0.024 0.000 0.985 153 V HN 0.564 nan 8.190 nan 0.000 0.459 154 E N 2.847 123.018 120.200 -0.049 0.000 2.374 154 E HA 0.069 4.420 4.350 0.000 0.000 0.260 154 E C 0.900 177.474 176.600 -0.043 0.000 1.101 154 E CA -0.268 56.098 56.400 -0.056 0.000 0.907 154 E CB 0.891 30.536 29.700 -0.091 0.000 1.014 154 E HN 0.659 nan 8.360 nan 0.000 0.427 155 Q N 2.712 122.487 119.800 -0.043 0.000 2.082 155 Q HA -0.279 4.061 4.340 0.000 0.000 0.211 155 Q C 1.739 177.718 176.000 -0.036 0.000 1.002 155 Q CA 2.900 58.681 55.803 -0.036 0.000 0.868 155 Q CB -0.171 28.536 28.738 -0.052 0.000 0.931 155 Q HN 0.590 nan 8.270 nan 0.000 0.414 156 K N -1.353 119.020 120.400 -0.044 0.000 2.362 156 K HA -0.108 4.212 4.320 0.000 0.000 0.200 156 K C 0.553 177.134 176.600 -0.032 0.000 1.046 156 K CA 1.506 57.770 56.287 -0.038 0.000 0.952 156 K CB 0.121 32.596 32.500 -0.042 0.000 0.753 156 K HN 0.195 nan 8.250 nan 0.000 0.466 157 D N 1.148 121.528 120.400 -0.034 0.000 2.355 157 D HA 0.121 4.761 4.640 0.000 0.000 0.206 157 D C 0.263 176.549 176.300 -0.024 0.000 1.010 157 D CA 0.264 54.246 54.000 -0.029 0.000 0.875 157 D CB 0.382 41.162 40.800 -0.034 0.000 0.966 157 D HN 0.338 nan 8.370 nan 0.000 0.512 158 A N 1.670 124.477 122.820 -0.022 0.000 2.477 158 A HA 0.275 4.595 4.320 0.000 0.000 0.246 158 A C 0.614 178.189 177.584 -0.014 0.000 1.078 158 A CA -0.457 51.570 52.037 -0.017 0.000 0.770 158 A CB -0.008 18.984 19.000 -0.013 0.000 1.011 158 A HN 0.209 nan 8.150 nan 0.000 0.494 159 N N 1.767 120.459 118.700 -0.012 0.000 2.347 159 N HA 0.404 5.144 4.740 0.000 0.000 0.253 159 N C 1.053 176.558 175.510 -0.008 0.000 1.274 159 N CA 0.166 53.210 53.050 -0.010 0.000 0.941 159 N CB 0.340 38.822 38.487 -0.010 0.000 1.200 159 N HN 0.551 nan 8.380 nan 0.000 0.514 160 A N -0.253 122.562 122.820 -0.007 0.000 1.892 160 A HA -0.287 4.033 4.320 0.000 0.000 0.218 160 A C 1.937 179.518 177.584 -0.005 0.000 1.188 160 A CA 2.082 54.116 52.037 -0.006 0.000 0.631 160 A CB -1.220 17.777 19.000 -0.005 0.000 0.822 160 A HN 0.925 nan 8.150 nan 0.000 0.447 161 E N -0.542 119.656 120.200 -0.005 0.000 2.107 161 E HA -0.229 4.121 4.350 0.000 0.000 0.191 161 E C 1.963 178.561 176.600 -0.004 0.000 0.982 161 E CA 1.125 57.522 56.400 -0.004 0.000 0.809 161 E CB -0.458 29.239 29.700 -0.005 0.000 0.756 161 E HN 0.748 nan 8.360 nan 0.000 0.459 162 Q N 0.770 120.567 119.800 -0.006 0.000 2.124 162 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 162 Q C 2.396 178.394 176.000 -0.003 0.000 0.977 162 Q CA 1.346 57.146 55.803 -0.006 0.000 0.850 162 Q CB -0.154 28.579 28.738 -0.008 0.000 0.901 162 Q HN 0.359 nan 8.270 nan 0.000 0.429 163 L N 0.914 122.136 121.223 -0.002 0.000 2.187 163 L HA -0.202 4.138 4.340 0.000 0.000 0.213 163 L C 1.604 178.477 176.870 0.005 0.000 1.100 163 L CA 0.596 55.437 54.840 0.002 0.000 0.765 163 L CB -0.365 41.694 42.059 -0.001 0.000 0.904 163 L HN 0.273 nan 8.230 nan 0.000 0.437 164 N N 0.077 118.778 118.700 0.002 0.000 2.494 164 N HA 0.072 4.813 4.740 0.000 0.000 0.182 164 N C 0.622 176.133 175.510 0.001 0.000 1.076 164 N CA 0.405 53.457 53.050 0.002 0.000 0.908 164 N CB 0.009 38.496 38.487 -0.000 0.000 0.967 164 N HN 0.279 nan 8.380 nan 0.000 0.449 165 I N 1.721 122.292 120.570 0.001 0.000 2.668 165 I HA -0.077 4.093 4.170 0.000 0.000 0.285 165 I C 1.353 177.469 176.117 -0.001 0.000 1.168 165 I CA 0.176 61.474 61.300 -0.002 0.000 1.424 165 I CB 0.704 38.702 38.000 -0.003 0.000 1.377 165 I HN -0.191 nan 8.210 nan 0.000 0.560 166 K N 4.724 125.120 120.400 -0.007 0.000 2.323 166 K HA 0.069 4.389 4.320 0.000 0.000 0.197 166 K C 0.527 177.111 176.600 -0.028 0.000 1.043 166 K CA 0.329 56.608 56.287 -0.013 0.000 0.997 166 K CB 0.037 32.527 32.500 -0.015 0.000 0.807 166 K HN 0.576 nan 8.250 nan 0.000 0.497 167 E N 1.549 121.735 120.200 -0.024 0.000 2.289 167 E HA 0.200 4.550 4.350 0.000 0.000 0.278 167 E C -1.094 175.487 176.600 -0.032 0.000 1.032 167 E CA -0.219 56.161 56.400 -0.033 0.000 0.854 167 E CB 0.853 30.539 29.700 -0.023 0.000 1.046 167 E HN -0.271 nan 8.360 nan 0.000 0.409 168 V N 4.108 123.989 119.914 -0.055 0.000 2.962 168 V HA 0.164 4.284 4.120 0.000 0.000 0.313 168 V C -0.320 175.743 176.094 -0.052 0.000 1.099 168 V CA -1.087 61.181 62.300 -0.055 0.000 0.971 168 V CB 2.203 33.949 31.823 -0.128 0.000 1.028 168 V HN 0.770 nan 8.190 nan 0.000 0.430 169 N N 1.400 120.091 118.700 -0.015 0.000 2.497 169 N HA 0.129 4.870 4.740 0.000 0.000 0.268 169 N C 0.958 176.461 175.510 -0.012 0.000 1.171 169 N CA 0.745 53.794 53.050 -0.001 0.000 0.948 169 N CB 1.575 40.074 38.487 0.020 0.000 1.069 169 N HN 0.840 nan 8.380 nan 0.000 0.460 170 T N 0.271 114.821 114.554 -0.007 0.000 3.037 170 T HA 0.251 4.601 4.350 0.000 0.000 0.251 170 T C 1.331 176.030 174.700 -0.001 0.000 1.079 170 T CA 0.470 62.557 62.100 -0.022 0.000 1.067 170 T CB -0.297 68.566 68.868 -0.009 0.000 0.948 170 T HN 0.716 nan 8.240 nan 0.000 0.496 171 G N 0.847 109.694 108.800 0.080 0.000 2.199 171 G HA2 -0.242 3.718 3.960 0.000 0.000 0.254 171 G HA3 -0.242 3.718 3.960 0.000 0.000 0.254 171 G C 0.098 175.228 174.900 0.384 0.000 0.982 171 G CA 0.044 45.260 45.100 0.192 0.000 0.632 171 G HN 0.720 nan 8.290 nan 0.000 0.529 172 V N 2.691 122.793 119.914 0.314 0.000 2.461 172 V HA 0.746 4.866 4.120 0.000 0.000 0.275 172 V C 0.623 176.830 176.094 0.190 0.000 1.047 172 V CA 0.954 63.430 62.300 0.294 0.000 0.955 172 V CB 1.090 33.051 31.823 0.231 0.000 0.988 172 V HN 0.748 nan 8.190 nan 0.000 0.471 173 M N 4.595 124.308 119.600 0.188 0.000 2.682 173 M HA 0.843 5.323 4.480 0.000 0.000 0.272 173 M C -2.156 174.267 176.300 0.205 0.000 1.232 173 M CA -0.796 54.609 55.300 0.176 0.000 0.849 173 M CB 2.493 35.209 32.600 0.194 0.000 1.695 173 M HN 0.153 nan 8.290 nan 0.000 0.481 174 V N 0.916 120.928 119.914 0.165 0.000 2.638 174 V HA 0.852 4.972 4.120 0.000 0.000 0.306 174 V C -0.732 175.431 176.094 0.114 0.000 1.052 174 V CA -0.260 62.140 62.300 0.167 0.000 0.885 174 V CB 1.712 33.592 31.823 0.094 0.000 0.999 174 V HN 0.961 nan 8.190 nan 0.000 0.424 175 S N 1.941 117.727 115.700 0.144 0.000 2.656 175 S HA 0.449 4.919 4.470 0.000 0.000 0.273 175 S C -1.715 172.917 174.600 0.054 0.000 1.168 175 S CA -0.758 57.416 58.200 -0.044 0.000 0.817 175 S CB 1.768 64.715 63.200 -0.421 0.000 1.146 175 S HN 1.000 nan 8.310 nan 0.000 0.475 176 D N 0.578 120.968 120.400 -0.016 0.000 2.344 176 D HA 0.212 4.853 4.640 0.000 0.000 0.244 176 D C 1.343 177.693 176.300 0.084 0.000 1.134 176 D CA 0.028 54.038 54.000 0.017 0.000 0.930 176 D CB 0.909 41.693 40.800 -0.027 0.000 1.175 176 D HN 0.604 nan 8.370 nan 0.000 0.437 177 G N 0.846 109.703 108.800 0.094 0.000 2.440 177 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 177 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 177 G C 1.551 176.573 174.900 0.203 0.000 1.154 177 G CA 1.369 46.585 45.100 0.193 0.000 0.767 177 G HN 0.671 nan 8.290 nan 0.000 0.552 178 A N 0.722 123.573 122.820 0.052 0.000 1.902 178 A HA -0.011 4.310 4.320 0.000 0.000 0.217 178 A C 2.723 180.214 177.584 -0.156 0.000 1.181 178 A CA 2.340 54.357 52.037 -0.034 0.000 0.623 178 A CB -0.669 18.287 19.000 -0.074 0.000 0.818 178 A HN 0.322 nan 8.150 nan 0.000 0.443 179 S N -0.927 114.597 115.700 -0.293 0.000 2.368 179 S HA -0.089 4.381 4.470 0.000 0.000 0.225 179 S C 1.624 175.920 174.600 -0.507 0.000 1.030 179 S CA 1.365 59.116 58.200 -0.747 0.000 0.999 179 S CB -0.523 62.127 63.200 -0.918 0.000 0.844 179 S HN 0.501 nan 8.310 nan 0.000 0.459 180 F N 2.016 121.930 119.950 -0.059 0.000 2.095 180 F HA -0.115 4.412 4.527 0.000 0.000 0.298 180 F C 2.258 178.145 175.800 0.145 0.000 1.104 180 F CA 1.257 59.361 58.000 0.174 0.000 1.232 180 F CB -0.434 38.742 39.000 0.292 0.000 0.987 180 F HN 0.108 nan 8.300 nan 0.000 0.475 181 K N -0.017 120.553 120.400 0.283 0.000 2.063 181 K HA -0.238 4.082 4.320 0.000 0.000 0.208 181 K C 2.121 178.751 176.600 0.050 0.000 1.048 181 K CA 1.686 58.046 56.287 0.121 0.000 0.928 181 K CB -0.256 32.273 32.500 0.048 0.000 0.713 181 K HN 0.171 nan 8.250 nan 0.000 0.442 182 K N 0.085 120.454 120.400 -0.051 0.000 2.002 182 K HA -0.162 4.159 4.320 0.000 0.000 0.209 182 K C 1.831 178.468 176.600 0.061 0.000 1.048 182 K CA 1.400 57.627 56.287 -0.098 0.000 0.930 182 K CB -0.016 32.279 32.500 -0.341 0.000 0.714 182 K HN 0.177 nan 8.250 nan 0.000 0.438 183 W N 1.213 122.555 121.300 0.070 0.000 2.453 183 W HA 0.007 4.667 4.660 0.000 0.000 0.289 183 W C 1.917 178.500 176.519 0.108 0.000 1.215 183 W CA 0.374 57.760 57.345 0.068 0.000 1.297 183 W CB -0.813 28.666 29.460 0.031 0.000 1.113 183 W HN 0.107 nan 8.180 nan 0.000 0.551 184 L N 0.499 121.942 121.223 0.367 0.000 2.127 184 L HA -0.195 4.145 4.340 0.000 0.000 0.211 184 L C 2.536 179.511 176.870 0.175 0.000 1.089 184 L CA 1.484 56.487 54.840 0.272 0.000 0.757 184 L CB -1.116 41.090 42.059 0.246 0.000 0.899 184 L HN -0.134 nan 8.230 nan 0.000 0.434 185 A N -0.211 122.694 122.820 0.142 0.000 2.121 185 A HA -0.124 4.197 4.320 0.000 0.000 0.218 185 A C 2.209 179.865 177.584 0.121 0.000 1.154 185 A CA 1.087 53.180 52.037 0.093 0.000 0.679 185 A CB -0.338 18.699 19.000 0.060 0.000 0.795 185 A HN 0.384 nan 8.150 nan 0.000 0.458 186 R N -0.862 119.740 120.500 0.169 0.000 2.362 186 R HA 0.197 4.537 4.340 0.000 0.000 0.227 186 R C -0.485 175.920 176.300 0.175 0.000 0.905 186 R CA -0.148 56.051 56.100 0.165 0.000 1.067 186 R CB 0.441 30.852 30.300 0.185 0.000 1.078 186 R HN 0.281 nan 8.270 nan 0.000 0.516 187 V N 1.368 121.409 119.914 0.212 0.000 2.508 187 V HA 0.241 4.361 4.120 0.000 0.000 0.281 187 V C 0.949 177.245 176.094 0.337 0.000 1.041 187 V CA -0.231 62.221 62.300 0.253 0.000 1.016 187 V CB 1.095 33.096 31.823 0.296 0.000 0.984 187 V HN 0.271 nan 8.190 nan 0.000 0.478 188 G N 2.965 111.902 108.800 0.227 0.000 2.552 188 G HA2 0.416 4.376 3.960 0.000 0.000 0.318 188 G HA3 0.416 4.376 3.960 0.000 0.000 0.318 188 G C 0.256 175.064 174.900 -0.153 0.000 1.240 188 G CA -0.524 44.658 45.100 0.137 0.000 1.002 188 G HN 0.745 nan 8.290 nan 0.000 0.493 189 N N -0.659 117.780 118.700 -0.435 0.000 2.351 189 N HA 0.007 4.748 4.740 0.000 0.000 0.254 189 N C -0.248 175.125 175.510 -0.228 0.000 1.241 189 N CA -0.614 52.097 53.050 -0.564 0.000 0.883 189 N CB 0.314 38.131 38.487 -1.117 0.000 1.202 189 N HN 0.263 nan 8.380 nan 0.000 0.512 190 N N 1.793 120.429 118.700 -0.108 0.000 2.895 190 N HA 0.052 4.793 4.740 0.000 0.000 0.277 190 N C -1.107 174.391 175.510 -0.020 0.000 1.185 190 N CA -0.064 52.955 53.050 -0.051 0.000 1.106 190 N CB -0.579 37.893 38.487 -0.025 0.000 1.422 190 N HN 0.578 nan 8.380 nan 0.000 0.521 191 N N -0.745 117.948 118.700 -0.013 0.000 3.020 191 N HA 0.376 5.117 4.740 0.000 0.000 0.248 191 N C 0.268 175.790 175.510 0.020 0.000 1.480 191 N CA -0.584 52.478 53.050 0.020 0.000 0.874 191 N CB 0.201 38.735 38.487 0.079 0.000 1.433 191 N HN -0.079 nan 8.380 nan 0.000 0.530 192 A N -0.752 122.081 122.820 0.023 0.000 2.024 192 A HA -0.162 4.159 4.320 0.000 0.000 0.220 192 A C 1.450 179.050 177.584 0.026 0.000 1.164 192 A CA 1.628 53.674 52.037 0.015 0.000 0.643 192 A CB -0.695 18.309 19.000 0.006 0.000 0.806 192 A HN 0.664 nan 8.150 nan 0.000 0.451 193 Q N -1.825 118.014 119.800 0.064 0.000 2.396 193 Q HA 0.324 4.664 4.340 0.000 0.000 0.209 193 Q C 1.176 177.173 176.000 -0.005 0.000 0.906 193 Q CA 0.711 56.548 55.803 0.057 0.000 0.927 193 Q CB 0.131 28.957 28.738 0.146 0.000 1.069 193 Q HN 0.858 nan 8.270 nan 0.000 0.523 194 G N 0.824 109.608 108.800 -0.028 0.000 2.221 194 G HA2 -0.302 3.658 3.960 0.000 0.000 0.265 194 G HA3 -0.302 3.658 3.960 0.000 0.000 0.265 194 G C -0.393 174.383 174.900 -0.208 0.000 1.041 194 G CA 0.345 45.379 45.100 -0.110 0.000 0.807 194 G HN 0.303 nan 8.290 nan 0.000 0.502 195 E N -1.283 118.771 120.200 -0.245 0.000 2.221 195 E HA 0.522 4.872 4.350 0.000 0.000 0.268 195 E C -0.790 175.521 176.600 -0.481 0.000 0.933 195 E CA -1.056 55.105 56.400 -0.397 0.000 0.809 195 E CB 1.086 30.436 29.700 -0.584 0.000 1.190 195 E HN 0.248 nan 8.360 nan 0.000 0.406 196 Y N 1.330 121.496 120.300 -0.223 0.000 2.535 196 Y HA 0.166 4.716 4.550 0.000 0.000 0.349 196 Y C -0.612 175.233 175.900 -0.090 0.000 0.992 196 Y CA -0.327 57.732 58.100 -0.069 0.000 1.248 196 Y CB 0.021 38.494 38.460 0.023 0.000 1.124 196 Y HN 0.373 nan 8.280 nan 0.000 0.520 197 Y N 2.876 123.282 120.300 0.176 0.000 2.327 197 Y HA 0.102 4.652 4.550 0.000 0.000 0.336 197 Y C 1.042 177.045 175.900 0.172 0.000 1.035 197 Y CA -0.685 57.505 58.100 0.150 0.000 1.165 197 Y CB 1.161 39.673 38.460 0.087 0.000 1.181 197 Y HN 0.584 nan 8.280 nan 0.000 0.494 198 L N 2.095 123.524 121.223 0.343 0.000 2.127 198 L HA -0.194 4.147 4.340 0.000 0.000 0.211 198 L C 1.974 178.994 176.870 0.251 0.000 1.089 198 L CA 2.011 57.033 54.840 0.304 0.000 0.757 198 L CB -0.820 41.430 42.059 0.319 0.000 0.899 198 L HN 0.817 nan 8.230 nan 0.000 0.434 199 T N -0.503 114.195 114.554 0.239 0.000 2.714 199 T HA -0.247 4.103 4.350 0.000 0.000 0.268 199 T C 1.361 176.105 174.700 0.073 0.000 1.036 199 T CA 1.723 63.900 62.100 0.129 0.000 1.148 199 T CB -0.491 68.413 68.868 0.060 0.000 0.856 199 T HN 0.402 nan 8.240 nan 0.000 0.462 200 D N 0.754 121.219 120.400 0.108 0.000 2.351 200 D HA 0.013 4.654 4.640 0.000 0.000 0.216 200 D C 1.927 178.216 176.300 -0.020 0.000 0.968 200 D CA 0.277 54.308 54.000 0.052 0.000 0.899 200 D CB -0.354 40.510 40.800 0.106 0.000 0.907 200 D HN 0.343 nan 8.370 nan 0.000 0.514 201 L N -0.017 121.201 121.223 -0.007 0.000 2.191 201 L HA -0.170 4.171 4.340 0.000 0.000 0.212 201 L C 1.927 178.578 176.870 -0.366 0.000 1.103 201 L CA 0.598 55.342 54.840 -0.161 0.000 0.769 201 L CB -0.295 41.741 42.059 -0.038 0.000 0.908 201 L HN 0.075 nan 8.230 nan 0.000 0.438 202 I N 0.358 120.800 120.570 -0.213 0.000 2.202 202 I HA -0.211 3.960 4.170 0.000 0.000 0.242 202 I C 2.790 178.759 176.117 -0.246 0.000 1.091 202 I CA 1.556 62.722 61.300 -0.224 0.000 1.368 202 I CB -0.749 37.183 38.000 -0.113 0.000 1.058 202 I HN 0.106 nan 8.210 nan 0.000 0.410 203 A N 0.257 122.969 122.820 -0.180 0.000 1.883 203 A HA -0.179 4.141 4.320 0.000 0.000 0.217 203 A C 2.342 179.797 177.584 -0.215 0.000 1.186 203 A CA 1.676 53.621 52.037 -0.152 0.000 0.624 203 A CB -1.049 17.896 19.000 -0.091 0.000 0.822 203 A HN 0.402 nan 8.150 nan 0.000 0.444 204 L N -0.855 120.184 121.223 -0.306 0.000 2.046 204 L HA -0.191 4.150 4.340 0.000 0.000 0.208 204 L C 3.117 179.595 176.870 -0.653 0.000 1.077 204 L CA 1.025 55.626 54.840 -0.400 0.000 0.747 204 L CB -0.575 41.234 42.059 -0.416 0.000 0.896 204 L HN 0.443 nan 8.230 nan 0.000 0.432 205 A N 0.178 122.365 122.820 -1.056 0.000 1.883 205 A HA -0.234 4.086 4.320 0.000 0.000 0.217 205 A C 2.109 179.521 177.584 -0.287 0.000 1.186 205 A CA 1.981 53.473 52.037 -0.910 0.000 0.624 205 A CB -0.651 17.778 19.000 -0.952 0.000 0.822 205 A HN 0.462 nan 8.150 nan 0.000 0.444 206 N N -0.376 118.180 118.700 -0.239 0.000 2.166 206 N HA -0.167 4.573 4.740 0.000 0.000 0.186 206 N C 1.904 177.376 175.510 -0.064 0.000 1.019 206 N CA 1.459 54.441 53.050 -0.113 0.000 0.856 206 N CB -0.324 38.102 38.487 -0.101 0.000 0.993 206 N HN 0.656 nan 8.380 nan 0.000 0.426 207 Q N 0.341 120.097 119.800 -0.074 0.000 2.181 207 Q HA -0.129 4.211 4.340 0.000 0.000 0.205 207 Q C 0.395 176.414 176.000 0.031 0.000 0.980 207 Q CA 1.118 56.910 55.803 -0.019 0.000 0.862 207 Q CB 0.018 28.747 28.738 -0.015 0.000 0.905 207 Q HN 0.256 nan 8.270 nan 0.000 0.429 208 D N -0.346 120.093 120.400 0.066 0.000 2.325 208 D HA 0.058 4.699 4.640 0.000 0.000 0.225 208 D C -0.587 175.781 176.300 0.113 0.000 1.096 208 D CA 0.014 54.103 54.000 0.148 0.000 0.844 208 D CB -0.164 40.843 40.800 0.345 0.000 0.925 208 D HN 0.195 nan 8.370 nan 0.000 0.513 209 N N -0.742 117.996 118.700 0.063 0.000 2.721 209 N HA -0.186 4.554 4.740 0.000 0.000 0.249 209 N C -0.911 174.640 175.510 0.068 0.000 1.072 209 N CA 0.248 53.327 53.050 0.048 0.000 0.710 209 N CB -1.310 37.202 38.487 0.042 0.000 0.993 209 N HN 0.210 nan 8.380 nan 0.000 0.547 210 C N 0.252 119.605 119.300 0.089 0.000 2.391 210 C HA 0.424 4.884 4.460 0.000 0.000 0.339 210 C C 0.819 175.838 174.990 0.048 0.000 1.205 210 C CA -0.758 58.331 59.018 0.118 0.000 1.937 210 C CB 1.595 29.510 27.740 0.292 0.000 2.341 210 C HN 0.374 nan 8.230 nan 0.000 0.516 211 Q N 1.165 120.994 119.800 0.049 0.000 2.261 211 Q HA 0.564 4.905 4.340 0.000 0.000 0.252 211 Q C -1.309 174.693 176.000 0.003 0.000 0.915 211 Q CA -0.111 55.702 55.803 0.017 0.000 0.915 211 Q CB 0.984 29.735 28.738 0.021 0.000 1.204 211 Q HN 0.664 nan 8.270 nan 0.000 0.421 212 V N 4.581 124.481 119.914 -0.023 0.000 2.384 212 V HA 0.374 4.494 4.120 0.000 0.000 0.287 212 V C -0.429 175.656 176.094 -0.015 0.000 1.020 212 V CA -0.712 61.570 62.300 -0.031 0.000 0.850 212 V CB 1.617 33.401 31.823 -0.066 0.000 0.987 212 V HN 0.558 nan 8.190 nan 0.000 0.436 213 V N 3.969 123.881 119.914 -0.003 0.000 2.513 213 V HA 0.758 4.879 4.120 0.000 0.000 0.299 213 V C 0.514 176.609 176.094 0.003 0.000 1.035 213 V CA -0.541 61.759 62.300 0.001 0.000 0.889 213 V CB 1.872 33.700 31.823 0.008 0.000 0.988 213 V HN 0.985 nan 8.190 nan 0.000 0.440 214 A N 4.599 127.420 122.820 0.001 0.000 2.327 214 A HA 0.770 5.090 4.320 0.000 0.000 0.283 214 A C -0.608 176.980 177.584 0.006 0.000 1.127 214 A CA -0.379 51.659 52.037 0.003 0.000 0.810 214 A CB 0.957 19.955 19.000 -0.003 0.000 1.066 214 A HN 0.696 nan 8.150 nan 0.000 0.492 215 V N 3.436 123.356 119.914 0.010 0.000 2.483 215 V HA 0.263 4.383 4.120 0.000 0.000 0.297 215 V C -0.117 175.982 176.094 0.008 0.000 1.027 215 V CA -0.474 61.833 62.300 0.011 0.000 0.855 215 V CB 1.431 33.265 31.823 0.018 0.000 0.995 215 V HN 1.020 nan 8.190 nan 0.000 0.424 216 Q N 2.523 122.325 119.800 0.004 0.000 2.261 216 Q HA 0.649 4.989 4.340 0.000 0.000 0.252 216 Q C 0.209 176.210 176.000 0.002 0.000 0.915 216 Q CA -0.388 55.414 55.803 -0.002 0.000 0.915 216 Q CB 1.816 30.550 28.738 -0.007 0.000 1.204 216 Q HN 0.924 nan 8.270 nan 0.000 0.421 217 A N 1.823 124.642 122.820 -0.003 0.000 2.450 217 A HA 0.126 4.447 4.320 0.000 0.000 0.255 217 A C 1.177 178.761 177.584 0.001 0.000 1.096 217 A CA -0.121 51.918 52.037 0.002 0.000 0.778 217 A CB 0.274 19.271 19.000 -0.006 0.000 1.031 217 A HN 0.929 nan 8.150 nan 0.000 0.494 218 T N 0.042 114.604 114.554 0.013 0.000 2.777 218 T HA -0.063 4.287 4.350 0.000 0.000 0.266 218 T C 0.513 175.225 174.700 0.019 0.000 1.040 218 T CA 1.454 63.564 62.100 0.017 0.000 1.141 218 T CB -0.169 68.714 68.868 0.026 0.000 0.868 218 T HN 0.611 nan 8.240 nan 0.000 0.444 219 D N 0.705 121.121 120.400 0.027 0.000 2.303 219 D HA 0.333 4.973 4.640 0.000 0.000 0.236 219 D C 1.192 177.474 176.300 -0.030 0.000 1.068 219 D CA -0.414 53.602 54.000 0.028 0.000 0.830 219 D CB 2.191 43.051 40.800 0.100 0.000 1.109 219 D HN -0.049 nan 8.370 nan 0.000 0.496 220 V N 4.264 124.145 119.914 -0.055 0.000 2.332 220 V HA -0.253 3.867 4.120 0.000 0.000 0.248 220 V C 2.438 178.439 176.094 -0.156 0.000 1.055 220 V CA 1.268 63.511 62.300 -0.096 0.000 1.038 220 V CB -0.360 31.409 31.823 -0.089 0.000 0.651 220 V HN 0.688 nan 8.190 nan 0.000 0.450 221 M N -0.818 118.629 119.600 -0.254 0.000 2.279 221 M HA -0.149 4.331 4.480 0.000 0.000 0.264 221 M C 2.115 178.187 176.300 -0.380 0.000 1.062 221 M CA 1.260 56.284 55.300 -0.460 0.000 1.099 221 M CB -1.159 30.796 32.600 -1.074 0.000 1.394 221 M HN 0.475 nan 8.290 nan 0.000 0.426 222 E N 0.306 120.371 120.200 -0.225 0.000 2.130 222 E HA -0.170 4.180 4.350 0.000 0.000 0.196 222 E C 1.594 178.169 176.600 -0.042 0.000 0.998 222 E CA 1.763 58.123 56.400 -0.066 0.000 0.806 222 E CB 0.174 29.880 29.700 0.010 0.000 0.738 222 E HN 0.470 nan 8.360 nan 0.000 0.459 223 V N -1.236 118.640 119.914 -0.063 0.000 3.596 223 V HA 0.164 4.284 4.120 0.000 0.000 0.289 223 V C 0.311 176.368 176.094 -0.061 0.000 1.336 223 V CA -0.172 62.105 62.300 -0.038 0.000 1.137 223 V CB 0.215 32.013 31.823 -0.041 0.000 0.966 223 V HN -0.041 nan 8.190 nan 0.000 0.428 224 E N 1.846 121.991 120.200 -0.091 0.000 2.344 224 E HA 0.536 4.886 4.350 0.000 0.000 0.270 224 E C 0.552 177.123 176.600 -0.049 0.000 1.021 224 E CA 0.735 57.085 56.400 -0.085 0.000 0.887 224 E CB 0.929 30.555 29.700 -0.123 0.000 0.997 224 E HN 0.590 nan 8.360 nan 0.000 0.429 225 G N 1.962 110.744 108.800 -0.031 0.000 2.521 225 G HA2 0.677 4.637 3.960 0.000 0.000 0.323 225 G HA3 0.677 4.637 3.960 0.000 0.000 0.323 225 G C -1.225 173.670 174.900 -0.008 0.000 1.211 225 G CA -0.345 44.749 45.100 -0.010 0.000 0.979 225 G HN 0.628 nan 8.290 nan 0.000 0.490 226 A N 0.241 123.062 122.820 0.001 0.000 2.319 226 A HA 0.581 4.901 4.320 0.000 0.000 0.310 226 A C 0.278 177.860 177.584 -0.003 0.000 1.152 226 A CA -0.801 51.233 52.037 -0.005 0.000 0.783 226 A CB 1.106 20.101 19.000 -0.009 0.000 1.184 226 A HN 0.457 nan 8.150 nan 0.000 0.474 227 N N 1.027 119.719 118.700 -0.014 0.000 2.356 227 N HA 0.047 4.788 4.740 0.000 0.000 0.178 227 N C -0.068 175.410 175.510 -0.054 0.000 1.075 227 N CA 0.723 53.757 53.050 -0.026 0.000 0.889 227 N CB 0.260 38.734 38.487 -0.023 0.000 0.999 227 N HN 0.908 nan 8.380 nan 0.000 0.464 228 N N -1.492 117.178 118.700 -0.051 0.000 2.972 228 N HA 0.285 5.025 4.740 0.000 0.000 0.262 228 N C 0.091 175.558 175.510 -0.072 0.000 1.478 228 N CA -0.679 52.332 53.050 -0.066 0.000 0.841 228 N CB 1.153 39.628 38.487 -0.021 0.000 1.512 228 N HN -0.330 nan 8.380 nan 0.000 0.548 229 R N -0.928 119.529 120.500 -0.072 0.000 2.236 229 R HA 0.116 4.456 4.340 0.000 0.000 0.208 229 R C 1.279 177.564 176.300 -0.025 0.000 1.036 229 R CA 0.326 56.384 56.100 -0.070 0.000 1.001 229 R CB -0.449 29.809 30.300 -0.070 0.000 0.896 229 R HN 0.472 nan 8.270 nan 0.000 0.464 230 L N 1.364 122.583 121.223 -0.007 0.000 2.027 230 L HA -0.171 4.170 4.340 0.000 0.000 0.206 230 L C 1.984 178.857 176.870 0.004 0.000 1.074 230 L CA 1.826 56.669 54.840 0.005 0.000 0.745 230 L CB -0.321 41.745 42.059 0.012 0.000 0.898 230 L HN 0.085 nan 8.230 nan 0.000 0.433 231 Q N -0.786 119.012 119.800 -0.002 0.000 2.124 231 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 231 Q C 2.348 178.346 176.000 -0.004 0.000 0.977 231 Q CA 1.851 57.652 55.803 -0.002 0.000 0.850 231 Q CB -0.327 28.407 28.738 -0.006 0.000 0.901 231 Q HN 0.550 nan 8.270 nan 0.000 0.429 232 L N 0.307 121.521 121.223 -0.014 0.000 2.046 232 L HA -0.188 4.152 4.340 0.000 0.000 0.208 232 L C 2.286 179.159 176.870 0.006 0.000 1.077 232 L CA 1.337 56.169 54.840 -0.013 0.000 0.747 232 L CB -0.340 41.700 42.059 -0.032 0.000 0.896 232 L HN 0.191 nan 8.230 nan 0.000 0.432 233 A N -0.439 122.387 122.820 0.011 0.000 1.933 233 A HA -0.191 4.130 4.320 0.000 0.000 0.218 233 A C 2.410 180.024 177.584 0.050 0.000 1.175 233 A CA 1.698 53.753 52.037 0.029 0.000 0.628 233 A CB -0.912 18.103 19.000 0.026 0.000 0.814 233 A HN 0.568 nan 8.150 nan 0.000 0.444 234 A N -0.107 122.740 122.820 0.044 0.000 1.898 234 A HA -0.013 4.308 4.320 0.000 0.000 0.216 234 A C 2.146 179.787 177.584 0.095 0.000 1.181 234 A CA 1.424 53.498 52.037 0.061 0.000 0.620 234 A CB -0.587 18.435 19.000 0.037 0.000 0.819 234 A HN 0.481 nan 8.150 nan 0.000 0.442 235 L N -0.862 120.401 121.223 0.066 0.000 2.046 235 L HA -0.207 4.133 4.340 0.000 0.000 0.208 235 L C 2.636 179.610 176.870 0.173 0.000 1.077 235 L CA 1.798 56.695 54.840 0.096 0.000 0.747 235 L CB -0.676 41.392 42.059 0.014 0.000 0.896 235 L HN 0.472 nan 8.230 nan 0.000 0.432 236 E N 1.010 121.274 120.200 0.107 0.000 2.049 236 E HA -0.289 4.061 4.350 0.000 0.000 0.198 236 E C 2.176 178.894 176.600 0.197 0.000 1.007 236 E CA 1.718 58.194 56.400 0.128 0.000 0.809 236 E CB -0.102 29.643 29.700 0.074 0.000 0.749 236 E HN 0.186 nan 8.360 nan 0.000 0.450 237 R N -0.594 120.002 120.500 0.160 0.000 2.073 237 R HA -0.188 4.152 4.340 0.000 0.000 0.234 237 R C 2.400 178.802 176.300 0.170 0.000 1.134 237 R CA 2.016 58.203 56.100 0.145 0.000 0.952 237 R CB -1.378 28.991 30.300 0.115 0.000 0.850 237 R HN 0.462 nan 8.270 nan 0.000 0.433 238 Y N -0.136 120.222 120.300 0.096 0.000 2.128 238 Y HA -0.216 4.334 4.550 0.000 0.000 0.284 238 Y C 1.882 177.853 175.900 0.117 0.000 1.154 238 Y CA 2.138 60.292 58.100 0.089 0.000 1.149 238 Y CB -0.627 37.880 38.460 0.078 0.000 0.976 238 Y HN 0.171 nan 8.280 nan 0.000 0.505 239 F N 0.960 120.959 119.950 0.081 0.000 2.102 239 F HA -0.254 4.273 4.527 0.000 0.000 0.298 239 F C 2.337 178.115 175.800 -0.037 0.000 1.105 239 F CA 2.000 60.001 58.000 0.002 0.000 1.239 239 F CB -0.458 38.584 39.000 0.070 0.000 0.991 239 F HN 0.094 nan 8.300 nan 0.000 0.474 240 Q N 0.273 120.157 119.800 0.139 0.000 2.084 240 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 240 Q C 2.033 178.029 176.000 -0.008 0.000 0.978 240 Q CA 1.330 57.177 55.803 0.073 0.000 0.844 240 Q CB -0.928 27.889 28.738 0.132 0.000 0.898 240 Q HN 0.439 nan 8.270 nan 0.000 0.426 241 N N 1.007 119.678 118.700 -0.049 0.000 2.166 241 N HA -0.144 4.596 4.740 0.000 0.000 0.186 241 N C 1.620 177.019 175.510 -0.184 0.000 1.019 241 N CA 0.979 53.976 53.050 -0.088 0.000 0.856 241 N CB -0.118 38.319 38.487 -0.082 0.000 0.993 241 N HN 0.268 nan 8.380 nan 0.000 0.426 242 K N 1.022 121.221 120.400 -0.334 0.000 2.057 242 K HA -0.115 4.205 4.320 0.000 0.000 0.207 242 K C 1.863 178.300 176.600 -0.271 0.000 1.049 242 K CA 1.142 57.213 56.287 -0.361 0.000 0.931 242 K CB 0.051 32.237 32.500 -0.523 0.000 0.714 242 K HN 0.251 nan 8.250 nan 0.000 0.440 243 Q N -0.243 119.377 119.800 -0.301 0.000 2.050 243 Q HA -0.145 4.196 4.340 0.000 0.000 0.202 243 Q C 2.163 178.123 176.000 -0.067 0.000 0.980 243 Q CA 1.541 57.232 55.803 -0.188 0.000 0.840 243 Q CB -0.170 28.472 28.738 -0.159 0.000 0.898 243 Q HN 0.416 nan 8.270 nan 0.000 0.424 244 A N 0.588 123.394 122.820 -0.022 0.000 1.908 244 A HA -0.197 4.123 4.320 0.000 0.000 0.218 244 A C 2.291 179.784 177.584 -0.151 0.000 1.181 244 A CA 1.835 53.815 52.037 -0.095 0.000 0.627 244 A CB -0.580 18.409 19.000 -0.017 0.000 0.818 244 A HN 0.267 nan 8.150 nan 0.000 0.445 245 S N -0.547 115.079 115.700 -0.122 0.000 2.368 245 S HA -0.169 4.302 4.470 0.000 0.000 0.225 245 S C 1.987 176.523 174.600 -0.107 0.000 1.030 245 S CA 1.610 59.741 58.200 -0.115 0.000 0.999 245 S CB -0.247 62.888 63.200 -0.108 0.000 0.844 245 S HN 0.686 nan 8.310 nan 0.000 0.459 246 K N 1.124 121.462 120.400 -0.103 0.000 2.026 246 K HA -0.056 4.265 4.320 0.000 0.000 0.208 246 K C 2.001 178.559 176.600 -0.070 0.000 1.048 246 K CA 1.125 57.368 56.287 -0.074 0.000 0.929 246 K CB -0.269 32.193 32.500 -0.064 0.000 0.713 246 K HN 0.274 nan 8.250 nan 0.000 0.439 247 L N 0.902 122.061 121.223 -0.106 0.000 2.046 247 L HA -0.203 4.137 4.340 0.000 0.000 0.208 247 L C 2.430 179.173 176.870 -0.212 0.000 1.077 247 L CA 0.999 55.738 54.840 -0.168 0.000 0.747 247 L CB -0.392 41.517 42.059 -0.250 0.000 0.896 247 L HN 0.218 nan 8.230 nan 0.000 0.432 248 L N -0.557 120.547 121.223 -0.197 0.000 2.012 248 L HA -0.260 4.081 4.340 0.000 0.000 0.210 248 L C 2.444 179.241 176.870 -0.121 0.000 1.073 248 L CA 1.369 56.106 54.840 -0.172 0.000 0.748 248 L CB -0.450 41.517 42.059 -0.153 0.000 0.891 248 L HN 0.257 nan 8.230 nan 0.000 0.431 249 L N -0.809 120.359 121.223 -0.091 0.000 2.275 249 L HA -0.159 4.181 4.340 0.000 0.000 0.215 249 L C 2.124 178.972 176.870 -0.036 0.000 1.119 249 L CA 0.898 55.703 54.840 -0.059 0.000 0.790 249 L CB -0.395 41.635 42.059 -0.048 0.000 0.919 249 L HN 0.298 nan 8.230 nan 0.000 0.443 250 E N -0.114 120.069 120.200 -0.028 0.000 2.481 250 E HA 0.014 4.364 4.350 0.000 0.000 0.195 250 E C 1.287 177.902 176.600 0.026 0.000 1.047 250 E CA 0.502 56.926 56.400 0.042 0.000 0.867 250 E CB 0.195 29.995 29.700 0.167 0.000 0.858 250 E HN 0.530 nan 8.360 nan 0.000 0.513 251 G N 0.775 109.532 108.800 -0.071 0.000 2.148 251 G HA2 -0.222 3.739 3.960 0.000 0.000 0.203 251 G HA3 -0.222 3.739 3.960 0.000 0.000 0.203 251 G C 0.140 174.945 174.900 -0.157 0.000 0.993 251 G CA -0.133 44.917 45.100 -0.082 0.000 0.661 251 G HN 0.116 nan 8.290 nan 0.000 0.518 252 V N 2.004 121.748 119.914 -0.284 0.000 2.488 252 V HA 0.480 4.600 4.120 0.000 0.000 0.277 252 V C 1.078 177.033 176.094 -0.233 0.000 1.046 252 V CA -0.055 62.052 62.300 -0.322 0.000 0.986 252 V CB 1.618 33.151 31.823 -0.483 0.000 0.989 252 V HN 0.476 nan 8.190 nan 0.000 0.475 253 M N 7.019 126.514 119.600 -0.175 0.000 2.266 253 M HA 0.392 4.872 4.480 0.000 0.000 0.340 253 M C -0.857 175.361 176.300 -0.136 0.000 1.486 253 M CA 0.121 55.320 55.300 -0.168 0.000 1.209 253 M CB -0.127 32.372 32.600 -0.169 0.000 1.714 253 M HN 0.524 nan 8.290 nan 0.000 0.459 254 I N 5.787 126.252 120.570 -0.175 0.000 2.328 254 I HA 0.073 4.243 4.170 0.000 0.000 0.287 254 I C -0.140 175.963 176.117 -0.024 0.000 1.012 254 I CA -0.609 60.607 61.300 -0.141 0.000 1.195 254 I CB 0.961 38.745 38.000 -0.360 0.000 1.350 254 I HN 0.708 nan 8.210 nan 0.000 0.464 255 Y N 2.783 123.026 120.300 -0.094 0.000 2.128 255 Y HA -0.202 4.349 4.550 0.000 0.000 0.284 255 Y C 1.186 177.059 175.900 -0.044 0.000 1.154 255 Y CA 1.434 59.499 58.100 -0.059 0.000 1.149 255 Y CB -0.026 38.410 38.460 -0.040 0.000 0.976 255 Y HN 0.494 nan 8.280 nan 0.000 0.505 256 D N -1.122 119.360 120.400 0.137 0.000 2.476 256 D HA 0.188 4.828 4.640 0.000 0.000 0.251 256 D C -2.300 174.041 176.300 0.068 0.000 1.291 256 D CA -2.410 51.636 54.000 0.078 0.000 0.939 256 D CB 1.538 42.389 40.800 0.086 0.000 1.221 256 D HN -0.107 nan 8.370 nan 0.000 0.567 257 P HA -0.038 nan 4.420 nan 0.000 0.225 257 P C 0.923 178.282 177.300 0.097 0.000 1.148 257 P CA 0.397 63.517 63.100 0.033 0.000 0.779 257 P CB 0.308 31.990 31.700 -0.030 0.000 0.780 258 A N 0.071 122.937 122.820 0.077 0.000 2.167 258 A HA 0.005 4.325 4.320 0.000 0.000 0.214 258 A C 1.683 179.324 177.584 0.094 0.000 1.151 258 A CA 0.470 52.554 52.037 0.078 0.000 0.735 258 A CB -0.509 18.524 19.000 0.055 0.000 0.802 258 A HN 0.103 nan 8.150 nan 0.000 0.467 259 R N -1.173 119.397 120.500 0.117 0.000 2.989 259 R HA 0.387 4.727 4.340 0.000 0.000 0.340 259 R C -1.502 174.907 176.300 0.182 0.000 1.205 259 R CA -0.121 56.047 56.100 0.113 0.000 1.235 259 R CB 0.184 30.534 30.300 0.084 0.000 1.394 259 R HN 0.370 nan 8.270 nan 0.000 0.598 260 F N 0.160 120.119 119.950 0.015 0.000 2.596 260 F HA 0.381 4.908 4.527 0.000 0.000 0.311 260 F C -1.702 174.112 175.800 0.023 0.000 1.116 260 F CA -0.851 57.156 58.000 0.011 0.000 0.957 260 F CB 2.035 41.036 39.000 0.002 0.000 1.250 260 F HN 0.007 nan 8.300 nan 0.000 0.444 261 D N 5.443 125.374 120.400 -0.782 0.000 2.757 261 D HA 0.484 5.124 4.640 0.000 0.000 0.249 261 D C -1.734 174.085 176.300 -0.802 0.000 1.168 261 D CA -0.289 53.377 54.000 -0.558 0.000 0.870 261 D CB 2.426 43.087 40.800 -0.231 0.000 1.411 261 D HN 0.492 nan 8.370 nan 0.000 0.525 262 L N 2.317 123.260 121.223 -0.467 0.000 2.325 262 L HA 0.540 4.881 4.340 0.000 0.000 0.281 262 L C -0.875 176.002 176.870 0.011 0.000 1.004 262 L CA -0.387 54.333 54.840 -0.200 0.000 0.823 262 L CB 1.057 43.126 42.059 0.016 0.000 1.236 262 L HN 0.384 nan 8.230 nan 0.000 0.415 263 R N 4.664 125.171 120.500 0.011 0.000 2.748 263 R HA 0.691 5.032 4.340 0.000 0.000 0.283 263 R C -0.036 176.297 176.300 0.055 0.000 1.507 263 R CA 0.008 56.143 56.100 0.058 0.000 1.666 263 R CB 0.915 31.229 30.300 0.022 0.000 1.237 263 R HN 0.983 nan 8.270 nan 0.000 0.633 264 G N 0.151 109.003 108.800 0.087 0.000 2.384 264 G HA2 -0.093 3.867 3.960 0.000 0.000 0.150 264 G HA3 -0.093 3.867 3.960 0.000 0.000 0.150 264 G C -1.023 173.928 174.900 0.084 0.000 1.269 264 G CA -0.250 44.889 45.100 0.066 0.000 1.094 264 G HN 0.245 nan 8.290 nan 0.000 0.467 265 T N -1.599 112.996 114.554 0.068 0.000 2.861 265 T HA 0.692 5.042 4.350 0.000 0.000 0.287 265 T C -1.303 173.444 174.700 0.080 0.000 1.003 265 T CA -0.533 61.612 62.100 0.074 0.000 0.977 265 T CB 2.027 70.928 68.868 0.055 0.000 0.996 265 T HN 1.514 nan 8.240 nan 0.000 0.448 266 L N 1.744 123.029 121.223 0.104 0.000 2.349 266 L HA 0.617 4.957 4.340 0.000 0.000 0.278 266 L C -0.336 176.605 176.870 0.120 0.000 0.996 266 L CA -0.480 54.435 54.840 0.125 0.000 0.825 266 L CB 1.529 43.696 42.059 0.181 0.000 1.243 266 L HN 0.912 nan 8.230 nan 0.000 0.412 267 E N 3.159 123.408 120.200 0.081 0.000 2.175 267 E HA 0.446 4.796 4.350 0.000 0.000 0.278 267 E C -1.484 175.154 176.600 0.064 0.000 0.969 267 E CA -0.571 55.841 56.400 0.020 0.000 0.796 267 E CB 0.884 30.580 29.700 -0.006 0.000 1.104 267 E HN 0.836 nan 8.360 nan 0.000 0.395 268 H N 0.781 119.855 119.070 0.007 0.000 2.895 268 H HA 0.631 5.188 4.556 0.000 0.000 0.373 268 H C -0.040 175.284 175.328 -0.006 0.000 1.174 268 H CA -0.864 55.185 56.048 0.002 0.000 1.144 268 H CB 1.247 31.007 29.762 -0.002 0.000 1.793 268 H HN 0.497 nan 8.280 nan 0.000 0.551 269 G N 0.782 109.658 108.800 0.126 0.000 2.574 269 G HA2 0.353 4.314 3.960 0.000 0.000 0.248 269 G HA3 0.353 4.314 3.960 0.000 0.000 0.248 269 G C -0.728 174.278 174.900 0.176 0.000 1.422 269 G CA -1.118 44.032 45.100 0.083 0.000 1.051 269 G HN 0.920 nan 8.290 nan 0.000 0.560 270 K N -0.833 119.618 120.400 0.085 0.000 2.087 270 K HA 0.351 4.671 4.320 0.000 0.000 0.255 270 K C -0.784 175.837 176.600 0.034 0.000 0.988 270 K CA -0.205 56.121 56.287 0.065 0.000 0.915 270 K CB 1.321 33.840 32.500 0.032 0.000 1.043 270 K HN 0.373 nan 8.250 nan 0.000 0.457 271 D N -0.254 120.151 120.400 0.008 0.000 2.837 271 D HA -0.129 4.511 4.640 0.000 0.000 0.230 271 D C -0.591 175.703 176.300 -0.010 0.000 1.152 271 D CA 0.614 54.608 54.000 -0.011 0.000 0.736 271 D CB -1.161 39.635 40.800 -0.008 0.000 1.084 271 D HN 0.323 nan 8.370 nan 0.000 0.429 272 V N 0.739 120.643 119.914 -0.016 0.000 2.530 272 V HA 0.119 4.239 4.120 0.000 0.000 0.282 272 V C 0.808 176.884 176.094 -0.031 0.000 1.048 272 V CA 0.294 62.583 62.300 -0.018 0.000 0.997 272 V CB 1.514 33.324 31.823 -0.021 0.000 0.987 272 V HN 0.010 nan 8.190 nan 0.000 0.477 273 E N 5.339 125.545 120.200 0.010 0.000 2.199 273 E HA 0.574 4.925 4.350 0.000 0.000 0.265 273 E C -1.134 175.518 176.600 0.086 0.000 0.882 273 E CA -0.463 55.980 56.400 0.072 0.000 0.759 273 E CB 2.351 32.138 29.700 0.144 0.000 1.148 273 E HN 0.532 nan 8.360 nan 0.000 0.412 274 I N 2.584 123.219 120.570 0.108 0.000 2.411 274 I HA 0.213 4.383 4.170 0.000 0.000 0.284 274 I C -0.009 176.156 176.117 0.080 0.000 1.012 274 I CA -0.782 60.556 61.300 0.064 0.000 1.119 274 I CB 1.269 39.296 38.000 0.044 0.000 1.261 274 I HN 0.466 nan 8.210 nan 0.000 0.448 275 D N 4.240 124.546 120.400 -0.157 0.000 2.414 275 D HA 0.192 4.832 4.640 0.000 0.000 0.251 275 D C -0.113 176.095 176.300 -0.154 0.000 1.252 275 D CA -0.155 53.580 54.000 -0.442 0.000 0.999 275 D CB 1.657 42.084 40.800 -0.620 0.000 1.093 275 D HN 0.255 nan 8.370 nan 0.000 0.515 276 V N 0.024 119.842 119.914 -0.159 0.000 2.843 276 V HA 0.226 4.346 4.120 0.000 0.000 0.305 276 V C 0.236 176.313 176.094 -0.028 0.000 1.065 276 V CA -0.897 61.388 62.300 -0.026 0.000 1.116 276 V CB 0.477 32.295 31.823 -0.008 0.000 0.968 276 V HN 0.698 nan 8.190 nan 0.000 0.487 277 N N 0.785 119.502 118.700 0.029 0.000 2.756 277 N HA -0.128 4.612 4.740 0.000 0.000 0.248 277 N C -0.505 175.001 175.510 -0.007 0.000 1.062 277 N CA 0.909 53.970 53.050 0.019 0.000 0.696 277 N CB -1.210 37.291 38.487 0.023 0.000 0.946 277 N HN 0.740 nan 8.380 nan 0.000 0.548 278 V N 1.104 121.030 119.914 0.021 0.000 2.547 278 V HA 0.566 4.686 4.120 0.000 0.000 0.299 278 V C 0.849 176.889 176.094 -0.089 0.000 1.040 278 V CA -0.572 61.726 62.300 -0.003 0.000 0.913 278 V CB 2.321 34.186 31.823 0.070 0.000 0.992 278 V HN 0.140 nan 8.190 nan 0.000 0.449 279 I N 5.129 125.639 120.570 -0.100 0.000 2.436 279 I HA 0.460 4.630 4.170 0.000 0.000 0.289 279 I C -1.036 175.010 176.117 -0.118 0.000 1.010 279 I CA -0.519 60.687 61.300 -0.156 0.000 1.098 279 I CB 1.877 39.827 38.000 -0.084 0.000 1.266 279 I HN 0.292 nan 8.210 nan 0.000 0.434 280 I N 5.866 126.334 120.570 -0.170 0.000 2.355 280 I HA 0.424 4.594 4.170 0.000 0.000 0.288 280 I C -0.090 175.996 176.117 -0.052 0.000 0.999 280 I CA -0.418 60.839 61.300 -0.072 0.000 1.163 280 I CB 1.331 39.315 38.000 -0.026 0.000 1.316 280 I HN 0.637 nan 8.210 nan 0.000 0.454 281 E N 3.213 123.403 120.200 -0.017 0.000 2.312 281 E HA 0.664 5.014 4.350 0.000 0.000 0.267 281 E C 0.377 176.982 176.600 0.009 0.000 0.894 281 E CA -0.666 55.732 56.400 -0.004 0.000 0.773 281 E CB 2.519 32.216 29.700 -0.005 0.000 1.241 281 E HN 0.761 nan 8.360 nan 0.000 0.432 282 G N 2.742 111.550 108.800 0.013 0.000 2.547 282 G HA2 -0.278 3.682 3.960 0.000 0.000 0.271 282 G HA3 -0.278 3.682 3.960 0.000 0.000 0.271 282 G C -0.464 174.449 174.900 0.022 0.000 1.209 282 G CA -0.440 44.669 45.100 0.014 0.000 0.959 282 G HN 0.553 nan 8.290 nan 0.000 0.563 283 N N 0.573 119.284 118.700 0.019 0.000 2.439 283 N HA 0.499 5.240 4.740 0.000 0.000 0.249 283 N C -0.456 175.069 175.510 0.025 0.000 1.003 283 N CA -0.091 52.973 53.050 0.023 0.000 0.942 283 N CB 1.657 40.154 38.487 0.016 0.000 1.115 283 N HN 0.526 nan 8.380 nan 0.000 0.505 284 V N 2.113 122.049 119.914 0.037 0.000 2.555 284 V HA 0.401 4.521 4.120 0.000 0.000 0.302 284 V C 0.102 176.223 176.094 0.046 0.000 1.038 284 V CA -0.813 61.511 62.300 0.039 0.000 0.887 284 V CB 2.317 34.168 31.823 0.048 0.000 0.991 284 V HN 0.467 nan 8.190 nan 0.000 0.434 285 K N 5.038 125.460 120.400 0.036 0.000 2.463 285 K HA 0.704 5.024 4.320 0.000 0.000 0.255 285 K C -1.723 174.899 176.600 0.036 0.000 0.942 285 K CA -0.583 55.724 56.287 0.034 0.000 0.814 285 K CB 1.357 33.867 32.500 0.017 0.000 1.122 285 K HN 0.635 nan 8.250 nan 0.000 0.425 286 L N 3.547 124.802 121.223 0.054 0.000 2.341 286 L HA 0.515 4.856 4.340 0.000 0.000 0.278 286 L C 0.821 177.719 176.870 0.046 0.000 1.005 286 L CA -1.045 53.826 54.840 0.051 0.000 0.818 286 L CB 1.833 43.935 42.059 0.072 0.000 1.259 286 L HN 0.823 nan 8.230 nan 0.000 0.418 287 G N 1.192 110.008 108.800 0.026 0.000 2.516 287 G HA2 0.156 4.116 3.960 0.000 0.000 0.276 287 G HA3 0.156 4.116 3.960 0.000 0.000 0.276 287 G C -0.473 174.443 174.900 0.027 0.000 1.390 287 G CA -0.538 44.574 45.100 0.019 0.000 1.050 287 G HN 0.554 nan 8.290 nan 0.000 0.519 288 D N -0.159 120.252 120.400 0.018 0.000 2.414 288 D HA 0.214 4.854 4.640 0.000 0.000 0.242 288 D C 0.725 177.032 176.300 0.012 0.000 1.129 288 D CA 0.310 54.322 54.000 0.019 0.000 0.885 288 D CB 0.729 41.535 40.800 0.010 0.000 1.198 288 D HN 0.452 nan 8.370 nan 0.000 0.437 289 R N -0.641 119.867 120.500 0.012 0.000 3.651 289 R HA -0.147 4.193 4.340 0.000 0.000 0.292 289 R C -0.512 175.789 176.300 0.003 0.000 1.161 289 R CA 0.036 56.139 56.100 0.005 0.000 0.787 289 R CB -1.961 28.339 30.300 0.001 0.000 1.249 289 R HN 0.211 nan 8.270 nan 0.000 0.476 290 V N 1.459 121.378 119.914 0.007 0.000 2.555 290 V HA 0.124 4.244 4.120 0.000 0.000 0.286 290 V C 0.831 176.926 176.094 0.003 0.000 1.044 290 V CA 0.307 62.608 62.300 0.003 0.000 1.026 290 V CB 1.392 33.221 31.823 0.010 0.000 0.981 290 V HN 0.103 nan 8.190 nan 0.000 0.480 291 K N 5.852 126.248 120.400 -0.007 0.000 2.358 291 K HA 0.622 4.942 4.320 0.000 0.000 0.260 291 K C -1.091 175.490 176.600 -0.031 0.000 0.956 291 K CA -0.457 55.825 56.287 -0.008 0.000 0.834 291 K CB 2.047 34.542 32.500 -0.008 0.000 1.102 291 K HN 0.516 nan 8.250 nan 0.000 0.431 292 I N 2.293 122.841 120.570 -0.036 0.000 2.355 292 I HA 0.237 4.407 4.170 0.000 0.000 0.288 292 I C 0.775 176.817 176.117 -0.125 0.000 0.999 292 I CA -0.679 60.583 61.300 -0.064 0.000 1.163 292 I CB 1.712 39.696 38.000 -0.027 0.000 1.316 292 I HN 0.664 nan 8.210 nan 0.000 0.454 293 G N 3.395 112.092 108.800 -0.171 0.000 2.621 293 G HA2 0.212 4.173 3.960 0.000 0.000 0.271 293 G HA3 0.212 4.173 3.960 0.000 0.000 0.271 293 G C -0.031 174.683 174.900 -0.309 0.000 1.236 293 G CA -0.240 44.710 45.100 -0.251 0.000 0.958 293 G HN 0.479 nan 8.290 nan 0.000 0.512 294 T N -1.299 113.024 114.554 -0.386 0.000 2.926 294 T HA 0.403 4.753 4.350 0.000 0.000 0.307 294 T C 1.581 175.911 174.700 -0.616 0.000 1.059 294 T CA 1.719 63.573 62.100 -0.410 0.000 1.122 294 T CB 0.081 68.738 68.868 -0.353 0.000 0.972 294 T HN 2.005 nan 8.240 nan 0.000 0.545 295 G N 2.625 111.194 108.800 -0.385 0.000 2.179 295 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 295 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 295 G C 0.547 175.358 174.900 -0.149 0.000 0.977 295 G CA 0.067 44.996 45.100 -0.284 0.000 0.641 295 G HN 0.957 nan 8.290 nan 0.000 0.533 296 C N 0.079 119.279 119.300 -0.168 0.000 2.604 296 C HA 0.617 5.077 4.460 0.000 0.000 0.396 296 C C 0.924 175.893 174.990 -0.035 0.000 1.282 296 C CA -0.353 58.610 59.018 -0.092 0.000 2.292 296 C CB 1.215 28.894 27.740 -0.103 0.000 2.633 296 C HN 0.433 nan 8.230 nan 0.000 0.620 297 V N 4.063 123.971 119.914 -0.010 0.000 2.483 297 V HA 0.443 4.563 4.120 0.000 0.000 0.297 297 V C -0.718 175.376 176.094 -0.001 0.000 1.027 297 V CA -0.334 61.964 62.300 -0.003 0.000 0.855 297 V CB 1.331 33.163 31.823 0.015 0.000 0.995 297 V HN 0.562 nan 8.190 nan 0.000 0.424 298 L N 5.092 126.313 121.223 -0.004 0.000 2.319 298 L HA 0.593 4.933 4.340 0.000 0.000 0.281 298 L C -0.227 176.646 176.870 0.004 0.000 1.005 298 L CA -0.122 54.720 54.840 0.003 0.000 0.828 298 L CB 1.627 43.691 42.059 0.009 0.000 1.227 298 L HN 0.602 nan 8.230 nan 0.000 0.415 299 K N 3.579 123.984 120.400 0.007 0.000 2.450 299 K HA 0.418 4.739 4.320 0.000 0.000 0.257 299 K C -0.631 175.975 176.600 0.010 0.000 0.953 299 K CA -0.458 55.834 56.287 0.008 0.000 0.844 299 K CB 0.645 33.149 32.500 0.008 0.000 1.103 299 K HN 0.549 nan 8.250 nan 0.000 0.429 300 N N 1.513 120.220 118.700 0.011 0.000 2.641 300 N HA -0.157 4.583 4.740 0.000 0.000 0.267 300 N C -0.938 174.578 175.510 0.010 0.000 1.087 300 N CA 1.317 54.374 53.050 0.010 0.000 0.731 300 N CB -1.159 37.333 38.487 0.007 0.000 0.886 300 N HN 0.457 nan 8.380 nan 0.000 0.547 301 V N -3.176 116.745 119.914 0.012 0.000 3.040 301 V HA 0.865 4.986 4.120 0.000 0.000 0.312 301 V C 0.077 176.178 176.094 0.011 0.000 1.115 301 V CA -0.896 61.410 62.300 0.010 0.000 0.998 301 V CB 2.946 34.774 31.823 0.009 0.000 1.042 301 V HN -0.086 nan 8.190 nan 0.000 0.433 302 V N 4.349 124.267 119.914 0.006 0.000 2.444 302 V HA 0.590 4.710 4.120 0.000 0.000 0.294 302 V C -0.649 175.446 176.094 0.002 0.000 1.022 302 V CA -0.366 61.937 62.300 0.006 0.000 0.850 302 V CB 1.457 33.281 31.823 0.003 0.000 0.992 302 V HN 0.748 nan 8.190 nan 0.000 0.426 303 I N 3.954 124.527 120.570 0.004 0.000 2.436 303 I HA 0.532 4.702 4.170 0.000 0.000 0.289 303 I C 0.859 176.974 176.117 -0.003 0.000 1.010 303 I CA -0.087 61.212 61.300 -0.002 0.000 1.098 303 I CB 1.447 39.447 38.000 0.001 0.000 1.266 303 I HN 0.691 nan 8.210 nan 0.000 0.434 304 G N 5.011 113.805 108.800 -0.011 0.000 2.621 304 G HA2 0.165 4.125 3.960 0.000 0.000 0.271 304 G HA3 0.165 4.125 3.960 0.000 0.000 0.271 304 G C 0.169 175.063 174.900 -0.010 0.000 1.236 304 G CA -0.482 44.612 45.100 -0.011 0.000 0.958 304 G HN 0.602 nan 8.290 nan 0.000 0.512 305 N N 0.743 119.437 118.700 -0.009 0.000 2.407 305 N HA 0.085 4.825 4.740 0.000 0.000 0.250 305 N C 0.200 175.702 175.510 -0.014 0.000 1.236 305 N CA 0.313 53.358 53.050 -0.007 0.000 0.879 305 N CB 0.426 38.909 38.487 -0.007 0.000 1.088 305 N HN 0.553 nan 8.380 nan 0.000 0.450 306 D N -1.365 119.028 120.400 -0.011 0.000 3.041 306 D HA -0.156 4.484 4.640 0.000 0.000 0.220 306 D C -0.768 175.516 176.300 -0.026 0.000 1.157 306 D CA 0.495 54.486 54.000 -0.016 0.000 0.876 306 D CB -1.176 39.615 40.800 -0.016 0.000 1.107 306 D HN 0.149 nan 8.370 nan 0.000 0.422 307 V N 0.892 120.790 119.914 -0.027 0.000 2.546 307 V HA 0.181 4.301 4.120 0.000 0.000 0.284 307 V C 0.697 176.770 176.094 -0.035 0.000 1.050 307 V CA -0.026 62.251 62.300 -0.039 0.000 0.981 307 V CB 1.835 33.635 31.823 -0.037 0.000 0.990 307 V HN 0.077 nan 8.190 nan 0.000 0.474 308 E N 4.824 124.998 120.200 -0.044 0.000 2.151 308 E HA 0.505 4.855 4.350 0.000 0.000 0.275 308 E C -1.183 175.382 176.600 -0.059 0.000 0.936 308 E CA -0.633 55.739 56.400 -0.046 0.000 0.777 308 E CB 1.237 30.912 29.700 -0.041 0.000 1.108 308 E HN 0.634 nan 8.360 nan 0.000 0.401 309 I N 4.874 125.405 120.570 -0.065 0.000 2.330 309 I HA 0.268 4.438 4.170 0.000 0.000 0.289 309 I C 0.231 176.279 176.117 -0.114 0.000 1.001 309 I CA -0.660 60.592 61.300 -0.080 0.000 1.193 309 I CB 1.232 39.191 38.000 -0.069 0.000 1.345 309 I HN 0.356 nan 8.210 nan 0.000 0.461 310 K N 6.618 126.939 120.400 -0.131 0.000 2.098 310 K HA 0.416 4.736 4.320 0.000 0.000 0.244 310 K C -2.392 174.056 176.600 -0.253 0.000 1.014 310 K CA -1.551 54.631 56.287 -0.174 0.000 0.917 310 K CB 0.352 32.760 32.500 -0.154 0.000 1.072 310 K HN 0.201 nan 8.250 nan 0.000 0.477 311 P HA -0.117 nan 4.420 nan 0.000 0.267 311 P C -1.096 175.884 177.300 -0.534 0.000 1.201 311 P CA 0.528 63.305 63.100 -0.539 0.000 0.775 311 P CB 0.035 31.386 31.700 -0.582 0.000 0.854 312 Y N -1.580 118.568 120.300 -0.252 0.000 3.168 312 Y HA -0.219 4.331 4.550 0.000 0.000 0.207 312 Y C 0.122 175.948 175.900 -0.123 0.000 1.280 312 Y CA 0.032 58.024 58.100 -0.180 0.000 1.235 312 Y CB -2.529 35.804 38.460 -0.212 0.000 1.370 312 Y HN 0.149 nan 8.280 nan 0.000 0.537 313 S N 0.015 115.687 115.700 -0.046 0.000 2.509 313 S HA 0.752 5.222 4.470 0.000 0.000 0.297 313 S C -0.051 174.560 174.600 0.018 0.000 1.118 313 S CA -0.885 57.311 58.200 -0.007 0.000 1.074 313 S CB 2.407 65.574 63.200 -0.055 0.000 1.038 313 S HN 0.113 nan 8.310 nan 0.000 0.498 314 V N 4.161 124.102 119.914 0.045 0.000 2.444 314 V HA 0.518 4.639 4.120 0.000 0.000 0.294 314 V C -1.212 174.902 176.094 0.033 0.000 1.022 314 V CA -0.607 61.719 62.300 0.044 0.000 0.850 314 V CB 1.115 32.978 31.823 0.066 0.000 0.992 314 V HN 0.634 nan 8.190 nan 0.000 0.426 315 L N 4.460 125.695 121.223 0.021 0.000 2.385 315 L HA 0.692 5.032 4.340 0.000 0.000 0.273 315 L C -0.360 176.520 176.870 0.016 0.000 0.990 315 L CA -0.163 54.687 54.840 0.017 0.000 0.821 315 L CB 1.974 44.037 42.059 0.006 0.000 1.279 315 L HN 0.711 nan 8.230 nan 0.000 0.412 316 E N 1.729 121.940 120.200 0.018 0.000 2.308 316 E HA 0.339 4.689 4.350 0.000 0.000 0.275 316 E C -1.222 175.386 176.600 0.014 0.000 0.890 316 E CA -0.523 55.887 56.400 0.016 0.000 0.754 316 E CB 1.288 30.999 29.700 0.018 0.000 1.207 316 E HN 0.615 nan 8.360 nan 0.000 0.426 317 D N 1.749 122.155 120.400 0.010 0.000 2.689 317 D HA -0.143 4.497 4.640 0.000 0.000 0.237 317 D C -1.196 175.108 176.300 0.008 0.000 1.148 317 D CA 1.205 55.210 54.000 0.009 0.000 0.656 317 D CB -1.005 39.801 40.800 0.009 0.000 1.050 317 D HN 0.217 nan 8.370 nan 0.000 0.426 318 S N -0.645 115.059 115.700 0.006 0.000 2.599 318 S HA 0.811 5.282 4.470 0.000 0.000 0.287 318 S C 0.172 174.773 174.600 0.000 0.000 1.105 318 S CA -0.699 57.504 58.200 0.003 0.000 0.899 318 S CB 2.314 65.516 63.200 0.004 0.000 1.100 318 S HN 0.176 nan 8.310 nan 0.000 0.482 319 I N 1.569 122.137 120.570 -0.003 0.000 2.545 319 I HA 0.579 4.749 4.170 0.000 0.000 0.292 319 I C -1.255 174.855 176.117 -0.012 0.000 1.040 319 I CA -0.796 60.500 61.300 -0.006 0.000 1.068 319 I CB 2.047 40.043 38.000 -0.006 0.000 1.251 319 I HN 0.236 nan 8.210 nan 0.000 0.424 320 V N 4.286 124.191 119.914 -0.015 0.000 2.577 320 V HA 0.592 4.712 4.120 0.000 0.000 0.303 320 V C 0.474 176.552 176.094 -0.026 0.000 1.042 320 V CA -0.615 61.671 62.300 -0.024 0.000 0.872 320 V CB 1.637 33.443 31.823 -0.028 0.000 0.998 320 V HN 0.892 nan 8.190 nan 0.000 0.423 321 G N 2.861 111.641 108.800 -0.033 0.000 2.562 321 G HA2 0.482 4.442 3.960 0.000 0.000 0.275 321 G HA3 0.482 4.442 3.960 0.000 0.000 0.275 321 G C -0.025 174.852 174.900 -0.040 0.000 1.196 321 G CA -0.461 44.620 45.100 -0.032 0.000 0.908 321 G HN 0.920 nan 8.290 nan 0.000 0.524 322 E N -0.558 119.622 120.200 -0.033 0.000 2.413 322 E HA 0.164 4.514 4.350 0.000 0.000 0.263 322 E C -0.149 176.422 176.600 -0.048 0.000 1.015 322 E CA 0.023 56.403 56.400 -0.033 0.000 0.916 322 E CB 0.486 30.173 29.700 -0.023 0.000 0.947 322 E HN 0.569 nan 8.360 nan 0.000 0.440 323 K N -0.616 119.754 120.400 -0.050 0.000 3.472 323 K HA -0.247 4.073 4.320 0.000 0.000 0.315 323 K C 0.094 176.625 176.600 -0.116 0.000 1.320 323 K CA 0.624 56.873 56.287 -0.064 0.000 0.962 323 K CB -2.007 30.463 32.500 -0.049 0.000 1.251 323 K HN 0.698 nan 8.250 nan 0.000 0.443 324 A N 0.931 123.678 122.820 -0.122 0.000 2.386 324 A HA 0.593 4.913 4.320 0.000 0.000 0.246 324 A C 0.340 177.827 177.584 -0.161 0.000 1.089 324 A CA 0.474 52.404 52.037 -0.178 0.000 0.790 324 A CB 0.452 19.377 19.000 -0.126 0.000 1.042 324 A HN 0.490 nan 8.150 nan 0.000 0.497 325 A N 1.346 124.048 122.820 -0.196 0.000 2.353 325 A HA 0.633 4.953 4.320 0.000 0.000 0.299 325 A C -0.788 176.748 177.584 -0.079 0.000 1.089 325 A CA -0.396 51.574 52.037 -0.111 0.000 0.736 325 A CB 0.632 19.592 19.000 -0.067 0.000 1.195 325 A HN 0.590 nan 8.150 nan 0.000 0.447 326 I N 1.677 122.207 120.570 -0.067 0.000 2.509 326 I HA 0.795 4.965 4.170 0.000 0.000 0.293 326 I C 0.757 176.830 176.117 -0.074 0.000 1.020 326 I CA 0.310 61.574 61.300 -0.061 0.000 1.088 326 I CB 0.736 38.703 38.000 -0.055 0.000 1.267 326 I HN 1.353 nan 8.210 nan 0.000 0.430 327 G N 7.215 115.967 108.800 -0.079 0.000 2.685 327 G HA2 -0.061 3.899 3.960 0.000 0.000 0.387 327 G HA3 -0.061 3.899 3.960 0.000 0.000 0.387 327 G C -3.123 171.698 174.900 -0.133 0.000 1.324 327 G CA -0.948 44.083 45.100 -0.116 0.000 0.878 327 G HN 0.487 nan 8.290 nan 0.000 0.527 328 P HA 0.537 nan 4.420 nan 0.000 0.276 328 P C 0.237 177.380 177.300 -0.261 0.000 1.261 328 P CA 0.106 63.001 63.100 -0.341 0.000 0.800 328 P CB 0.100 31.479 31.700 -0.535 0.000 1.066 329 F N -3.143 116.778 119.950 -0.048 0.000 3.080 329 F HA -0.187 4.340 4.527 0.000 0.000 0.292 329 F C 0.314 176.068 175.800 -0.076 0.000 0.891 329 F CA 0.588 58.554 58.000 -0.057 0.000 1.086 329 F CB -2.895 35.962 39.000 -0.238 0.000 1.095 329 F HN 0.029 nan 8.300 nan 0.000 0.633 330 S N -0.458 115.279 115.700 0.061 0.000 2.565 330 S HA 0.768 5.238 4.470 0.000 0.000 0.290 330 S C 0.106 174.751 174.600 0.074 0.000 1.150 330 S CA -0.828 57.401 58.200 0.048 0.000 1.058 330 S CB 2.264 65.461 63.200 -0.004 0.000 1.032 330 S HN 0.367 nan 8.310 nan 0.000 0.510 331 R N 2.450 122.999 120.500 0.082 0.000 2.409 331 R HA 0.502 4.843 4.340 0.000 0.000 0.313 331 R C -1.724 174.615 176.300 0.066 0.000 0.953 331 R CA -0.267 55.882 56.100 0.082 0.000 0.849 331 R CB 0.273 30.637 30.300 0.106 0.000 1.171 331 R HN 0.597 nan 8.270 nan 0.000 0.458 332 L N 5.349 126.600 121.223 0.047 0.000 2.280 332 L HA 0.582 4.923 4.340 0.000 0.000 0.287 332 L C 0.319 177.213 176.870 0.041 0.000 1.023 332 L CA -0.764 54.098 54.840 0.037 0.000 0.819 332 L CB 1.613 43.683 42.059 0.018 0.000 1.212 332 L HN 0.572 nan 8.230 nan 0.000 0.420 333 R N 3.011 123.540 120.500 0.049 0.000 2.607 333 R HA 0.461 4.801 4.340 0.000 0.000 0.261 333 R C -2.398 173.922 176.300 0.034 0.000 1.051 333 R CA -1.872 54.257 56.100 0.048 0.000 1.110 333 R CB 0.688 31.031 30.300 0.071 0.000 1.158 333 R HN 0.282 nan 8.270 nan 0.000 0.543 334 P HA -0.085 nan 4.420 nan 0.000 0.263 334 P C 0.272 177.583 177.300 0.018 0.000 1.175 334 P CA 1.332 64.444 63.100 0.020 0.000 0.761 334 P CB 0.409 32.120 31.700 0.018 0.000 0.794 335 G N 1.746 110.552 108.800 0.012 0.000 2.159 335 G HA2 -0.186 3.774 3.960 0.000 0.000 0.256 335 G HA3 -0.186 3.774 3.960 0.000 0.000 0.256 335 G C 0.377 175.279 174.900 0.003 0.000 0.977 335 G CA -0.067 45.038 45.100 0.008 0.000 0.652 335 G HN 0.841 nan 8.290 nan 0.000 0.531 336 A N 0.271 123.093 122.820 0.004 0.000 2.451 336 A HA 0.602 4.923 4.320 0.000 0.000 0.266 336 A C 0.341 177.922 177.584 -0.005 0.000 1.119 336 A CA 0.335 52.371 52.037 -0.002 0.000 0.786 336 A CB 0.238 19.239 19.000 0.003 0.000 1.061 336 A HN 0.476 nan 8.150 nan 0.000 0.503 337 E N 2.795 122.989 120.200 -0.010 0.000 2.235 337 E HA 0.400 4.751 4.350 0.000 0.000 0.252 337 E C -1.366 175.225 176.600 -0.015 0.000 0.886 337 E CA -0.240 56.153 56.400 -0.011 0.000 0.767 337 E CB 1.549 31.244 29.700 -0.008 0.000 1.205 337 E HN 0.636 nan 8.360 nan 0.000 0.421 338 L N 2.415 123.627 121.223 -0.019 0.000 2.282 338 L HA 0.613 4.953 4.340 0.000 0.000 0.288 338 L C 0.529 177.383 176.870 -0.027 0.000 1.033 338 L CA -0.777 54.047 54.840 -0.025 0.000 0.807 338 L CB 1.297 43.336 42.059 -0.033 0.000 1.209 338 L HN 0.517 nan 8.230 nan 0.000 0.423 339 A N 2.749 125.554 122.820 -0.025 0.000 2.267 339 A HA 0.703 5.023 4.320 0.000 0.000 0.271 339 A C 0.506 178.067 177.584 -0.038 0.000 1.131 339 A CA -0.013 52.009 52.037 -0.024 0.000 0.818 339 A CB 0.293 19.284 19.000 -0.015 0.000 1.118 339 A HN 0.813 nan 8.150 nan 0.000 0.501 340 A N -1.091 121.709 122.820 -0.034 0.000 2.520 340 A HA 0.418 4.738 4.320 0.000 0.000 0.235 340 A C 0.614 178.160 177.584 -0.063 0.000 1.065 340 A CA 0.794 52.803 52.037 -0.045 0.000 0.764 340 A CB -0.656 18.326 19.000 -0.029 0.000 1.002 340 A HN 1.122 nan 8.150 nan 0.000 0.502 341 E N -1.019 119.119 120.200 -0.103 0.000 2.971 341 E HA -0.199 4.151 4.350 0.000 0.000 0.278 341 E C 0.271 176.716 176.600 -0.257 0.000 1.009 341 E CA 0.903 57.214 56.400 -0.150 0.000 0.862 341 E CB -2.352 27.322 29.700 -0.042 0.000 1.436 341 E HN 1.037 nan 8.360 nan 0.000 0.434 342 T N -1.472 112.932 114.554 -0.251 0.000 2.874 342 T HA 0.426 4.776 4.350 0.000 0.000 0.281 342 T C 0.028 174.459 174.700 -0.450 0.000 0.994 342 T CA -0.575 61.405 62.100 -0.199 0.000 1.015 342 T CB 1.294 70.114 68.868 -0.080 0.000 1.028 342 T HN 0.179 nan 8.240 nan 0.000 0.523 343 H N -0.356 118.694 119.070 -0.035 0.000 2.840 343 H HA 0.541 5.097 4.556 0.000 0.000 0.340 343 H C -1.337 173.955 175.328 -0.060 0.000 1.004 343 H CA -0.674 55.345 56.048 -0.048 0.000 1.288 343 H CB 1.820 31.552 29.762 -0.050 0.000 1.607 343 H HN 0.391 nan 8.280 nan 0.000 0.522 344 V N 2.641 122.567 119.914 0.021 0.000 2.531 344 V HA 0.523 4.643 4.120 0.000 0.000 0.301 344 V C 0.563 176.631 176.094 -0.044 0.000 1.034 344 V CA -0.583 61.709 62.300 -0.014 0.000 0.865 344 V CB 1.781 33.593 31.823 -0.018 0.000 0.995 344 V HN 0.956 nan 8.190 nan 0.000 0.424 345 G N 3.222 111.974 108.800 -0.080 0.000 2.971 345 G HA2 0.370 4.330 3.960 0.000 0.000 0.235 345 G HA3 0.370 4.330 3.960 0.000 0.000 0.235 345 G C -0.306 174.512 174.900 -0.137 0.000 1.351 345 G CA -0.986 44.036 45.100 -0.131 0.000 1.039 345 G HN 0.827 nan 8.290 nan 0.000 0.563 346 N N -1.290 117.275 118.700 -0.226 0.000 2.513 346 N HA 0.218 4.959 4.740 0.000 0.000 0.268 346 N C -0.821 174.426 175.510 -0.439 0.000 1.180 346 N CA -0.290 52.463 53.050 -0.495 0.000 0.948 346 N CB 0.504 38.473 38.487 -0.863 0.000 1.083 346 N HN 0.385 nan 8.380 nan 0.000 0.455 347 F N -1.705 118.340 119.950 0.158 0.000 3.071 347 F HA -0.179 4.349 4.527 0.000 0.000 0.295 347 F C -0.913 174.942 175.800 0.092 0.000 0.919 347 F CA -0.287 57.768 58.000 0.093 0.000 1.050 347 F CB -2.302 36.723 39.000 0.041 0.000 1.040 347 F HN 0.256 nan 8.300 nan 0.000 0.692 348 V N 0.161 120.170 119.914 0.158 0.000 2.555 348 V HA 0.570 4.690 4.120 0.000 0.000 0.302 348 V C 0.089 176.260 176.094 0.129 0.000 1.038 348 V CA -1.020 61.356 62.300 0.126 0.000 0.887 348 V CB 2.334 34.192 31.823 0.059 0.000 0.991 348 V HN 0.289 nan 8.190 nan 0.000 0.434 349 E N 4.602 124.898 120.200 0.160 0.000 2.191 349 E HA 0.605 4.956 4.350 0.000 0.000 0.263 349 E C -1.659 175.030 176.600 0.149 0.000 0.881 349 E CA -0.568 55.944 56.400 0.188 0.000 0.757 349 E CB 1.671 31.535 29.700 0.274 0.000 1.147 349 E HN 0.657 nan 8.360 nan 0.000 0.414 350 I N 4.502 125.121 120.570 0.082 0.000 2.418 350 I HA 0.365 4.535 4.170 0.000 0.000 0.287 350 I C -0.375 175.761 176.117 0.032 0.000 1.008 350 I CA -0.746 60.556 61.300 0.003 0.000 1.104 350 I CB 1.766 39.757 38.000 -0.014 0.000 1.264 350 I HN 0.301 nan 8.210 nan 0.000 0.438 351 K N 6.684 127.086 120.400 0.003 0.000 2.471 351 K HA 0.276 4.596 4.320 0.000 0.000 0.252 351 K C -0.346 176.255 176.600 0.002 0.000 0.938 351 K CA -0.750 55.567 56.287 0.050 0.000 0.796 351 K CB 1.508 34.106 32.500 0.164 0.000 1.161 351 K HN 0.525 nan 8.250 nan 0.000 0.425 352 K N 1.921 122.327 120.400 0.010 0.000 3.311 352 K HA -0.152 4.168 4.320 0.000 0.000 0.270 352 K C -1.450 175.141 176.600 -0.015 0.000 0.927 352 K CA 0.749 57.038 56.287 0.003 0.000 0.706 352 K CB -1.046 31.463 32.500 0.014 0.000 1.418 352 K HN 0.599 nan 8.250 nan 0.000 0.459 353 S N -0.247 115.438 115.700 -0.024 0.000 2.546 353 S HA 0.409 4.880 4.470 0.000 0.000 0.274 353 S C -0.548 174.037 174.600 -0.025 0.000 1.121 353 S CA -0.577 57.602 58.200 -0.035 0.000 0.887 353 S CB 2.080 65.240 63.200 -0.067 0.000 1.094 353 S HN 0.362 nan 8.310 nan 0.000 0.474 354 T N -0.803 113.739 114.554 -0.021 0.000 2.824 354 T HA 0.757 5.108 4.350 0.000 0.000 0.280 354 T C -0.698 173.991 174.700 -0.018 0.000 0.995 354 T CA -0.673 61.418 62.100 -0.016 0.000 1.009 354 T CB 0.897 69.760 68.868 -0.009 0.000 0.955 354 T HN 0.310 nan 8.240 nan 0.000 0.452 355 V N 2.901 122.805 119.914 -0.017 0.000 2.443 355 V HA 0.698 4.818 4.120 0.000 0.000 0.293 355 V C 0.981 177.070 176.094 -0.009 0.000 1.021 355 V CA -0.770 61.521 62.300 -0.015 0.000 0.848 355 V CB 1.413 33.226 31.823 -0.018 0.000 0.998 355 V HN 1.248 nan 8.190 nan 0.000 0.424 356 G N 2.715 111.513 108.800 -0.003 0.000 2.616 356 G HA2 0.339 4.299 3.960 0.000 0.000 0.268 356 G HA3 0.339 4.299 3.960 0.000 0.000 0.268 356 G C -0.163 174.740 174.900 0.005 0.000 1.213 356 G CA -0.587 44.514 45.100 0.001 0.000 0.926 356 G HN 0.727 nan 8.290 nan 0.000 0.523 357 K N -0.361 120.042 120.400 0.006 0.000 2.484 357 K HA 0.308 4.628 4.320 0.000 0.000 0.280 357 K C 1.344 177.960 176.600 0.026 0.000 1.013 357 K CA 1.086 57.377 56.287 0.007 0.000 1.029 357 K CB -0.105 32.398 32.500 0.006 0.000 0.902 357 K HN 1.148 nan 8.250 nan 0.000 0.481 358 G N 2.263 111.085 108.800 0.037 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 0.042 175.022 174.900 0.134 0.000 0.980 358 G CA 0.341 45.497 45.100 0.094 0.000 0.632 358 G HN 0.641 nan 8.290 nan 0.000 0.533 359 S N 0.878 116.631 115.700 0.089 0.000 2.579 359 S HA 0.497 4.967 4.470 0.000 0.000 0.275 359 S C 0.363 175.037 174.600 0.123 0.000 1.345 359 S CA 0.659 58.905 58.200 0.076 0.000 1.031 359 S CB 0.978 64.198 63.200 0.034 0.000 0.892 359 S HN 0.819 nan 8.310 nan 0.000 0.529 360 K N -0.177 120.263 120.400 0.068 0.000 2.397 360 K HA 0.653 4.974 4.320 0.000 0.000 0.253 360 K C -1.771 174.828 176.600 -0.002 0.000 0.932 360 K CA -0.885 55.434 56.287 0.053 0.000 0.795 360 K CB 1.508 33.986 32.500 -0.038 0.000 1.159 360 K HN 0.277 nan 8.250 nan 0.000 0.424 361 V N 3.110 123.021 119.914 -0.005 0.000 2.380 361 V HA 0.154 4.274 4.120 0.000 0.000 0.268 361 V C -0.478 175.580 176.094 -0.060 0.000 1.008 361 V CA -0.822 61.464 62.300 -0.024 0.000 0.823 361 V CB 0.555 32.369 31.823 -0.016 0.000 1.053 361 V HN 0.843 nan 8.190 nan 0.000 0.446 362 N N 1.869 120.485 118.700 -0.141 0.000 2.254 362 N HA 0.160 4.900 4.740 0.000 0.000 0.190 362 N C 0.125 175.281 175.510 -0.590 0.000 1.107 362 N CA 0.376 53.187 53.050 -0.399 0.000 0.869 362 N CB 0.340 38.486 38.487 -0.568 0.000 0.983 362 N HN 0.778 nan 8.380 nan 0.000 0.487 363 H N -0.689 118.402 119.070 0.035 0.000 3.087 363 H HA 0.179 4.735 4.556 0.000 0.000 0.348 363 H C -0.029 175.364 175.328 0.108 0.000 1.092 363 H CA -0.738 55.359 56.048 0.081 0.000 1.285 363 H CB 1.501 31.316 29.762 0.088 0.000 1.875 363 H HN -0.204 nan 8.280 nan 0.000 0.512 364 L N 1.293 122.698 121.223 0.303 0.000 3.660 364 L HA -0.201 4.139 4.340 0.000 0.000 0.440 364 L C -0.618 176.350 176.870 0.164 0.000 1.262 364 L CA 0.792 55.776 54.840 0.241 0.000 0.837 364 L CB -1.543 40.633 42.059 0.196 0.000 1.689 364 L HN 0.732 nan 8.230 nan 0.000 0.890 365 T N -1.179 113.472 114.554 0.161 0.000 2.900 365 T HA 0.545 4.895 4.350 0.000 0.000 0.295 365 T C -1.236 173.569 174.700 0.176 0.000 1.044 365 T CA -0.543 61.635 62.100 0.130 0.000 0.995 365 T CB 2.159 71.077 68.868 0.083 0.000 1.072 365 T HN 0.107 nan 8.240 nan 0.000 0.473 366 Y N 2.808 123.126 120.300 0.029 0.000 2.328 366 Y HA 0.657 5.207 4.550 0.000 0.000 0.336 366 Y C -1.384 174.523 175.900 0.012 0.000 0.960 366 Y CA -1.082 57.031 58.100 0.021 0.000 1.134 366 Y CB 0.900 39.368 38.460 0.013 0.000 1.166 366 Y HN 0.373 nan 8.280 nan 0.000 0.464 367 V N 6.234 125.805 119.914 -0.571 0.000 2.378 367 V HA 0.797 4.917 4.120 0.000 0.000 0.288 367 V C 0.080 175.694 176.094 -0.800 0.000 1.016 367 V CA -0.320 61.637 62.300 -0.570 0.000 0.840 367 V CB 1.292 32.969 31.823 -0.245 0.000 0.994 367 V HN 0.991 nan 8.190 nan 0.000 0.431 368 G N 1.859 110.181 108.800 -0.796 0.000 2.591 368 G HA2 0.596 4.557 3.960 0.000 0.000 0.306 368 G HA3 0.596 4.557 3.960 0.000 0.000 0.306 368 G C -0.627 174.174 174.900 -0.165 0.000 1.334 368 G CA -0.495 44.333 45.100 -0.454 0.000 0.981 368 G HN 0.636 nan 8.290 nan 0.000 0.491 369 D N -0.099 120.262 120.400 -0.066 0.000 2.686 369 D HA -0.149 4.491 4.640 0.000 0.000 0.235 369 D C 0.269 176.557 176.300 -0.021 0.000 1.160 369 D CA 1.669 55.659 54.000 -0.017 0.000 0.645 369 D CB -0.957 39.852 40.800 0.016 0.000 1.039 369 D HN 0.323 nan 8.370 nan 0.000 0.423 370 S N -0.053 115.620 115.700 -0.045 0.000 2.568 370 S HA 0.500 4.970 4.470 0.000 0.000 0.293 370 S C -0.111 174.473 174.600 -0.027 0.000 1.089 370 S CA -0.857 57.319 58.200 -0.040 0.000 0.945 370 S CB 2.805 65.959 63.200 -0.077 0.000 1.077 370 S HN 0.101 nan 8.310 nan 0.000 0.485 371 E N 1.435 121.626 120.200 -0.015 0.000 2.165 371 E HA 0.510 4.860 4.350 0.000 0.000 0.266 371 E C -1.139 175.454 176.600 -0.012 0.000 0.889 371 E CA -0.307 56.087 56.400 -0.011 0.000 0.756 371 E CB 1.508 31.207 29.700 -0.001 0.000 1.131 371 E HN 0.423 nan 8.360 nan 0.000 0.411 372 I N 2.157 122.718 120.570 -0.014 0.000 2.465 372 I HA 0.355 4.525 4.170 0.000 0.000 0.291 372 I C 0.762 176.876 176.117 -0.004 0.000 1.014 372 I CA -0.659 60.635 61.300 -0.012 0.000 1.093 372 I CB 1.932 39.920 38.000 -0.020 0.000 1.267 372 I HN 0.563 nan 8.210 nan 0.000 0.431 373 G N 3.303 112.104 108.800 0.002 0.000 2.504 373 G HA2 0.376 4.336 3.960 0.000 0.000 0.257 373 G HA3 0.376 4.336 3.960 0.000 0.000 0.257 373 G C -0.183 174.723 174.900 0.011 0.000 1.451 373 G CA -0.357 44.748 45.100 0.007 0.000 1.059 373 G HN 0.639 nan 8.290 nan 0.000 0.550 374 S N -1.818 113.891 115.700 0.015 0.000 2.585 374 S HA 0.308 4.778 4.470 0.000 0.000 0.277 374 S C 0.149 174.766 174.600 0.028 0.000 1.241 374 S CA -0.085 58.127 58.200 0.020 0.000 1.041 374 S CB 0.976 64.186 63.200 0.018 0.000 0.987 374 S HN 0.690 nan 8.310 nan 0.000 0.512 375 N N -0.912 117.809 118.700 0.037 0.000 2.735 375 N HA -0.149 4.592 4.740 0.000 0.000 0.248 375 N C -0.670 174.868 175.510 0.046 0.000 1.083 375 N CA 0.682 53.758 53.050 0.045 0.000 0.703 375 N CB -2.185 36.328 38.487 0.042 0.000 1.005 375 N HN 0.639 nan 8.380 nan 0.000 0.550 376 C N 0.471 119.793 119.300 0.036 0.000 2.398 376 C HA 0.462 4.922 4.460 0.000 0.000 0.364 376 C C 0.891 175.887 174.990 0.009 0.000 1.219 376 C CA -0.728 58.306 59.018 0.026 0.000 2.312 376 C CB 1.112 28.856 27.740 0.008 0.000 2.428 376 C HN 0.442 nan 8.230 nan 0.000 0.564 377 N N 2.133 120.819 118.700 -0.023 0.000 2.569 377 N HA 0.350 5.090 4.740 0.000 0.000 0.254 377 N C -1.234 174.140 175.510 -0.226 0.000 1.004 377 N CA -0.348 52.645 53.050 -0.096 0.000 0.904 377 N CB 0.350 38.807 38.487 -0.049 0.000 1.165 377 N HN 0.435 nan 8.380 nan 0.000 0.513 378 I N 2.375 122.859 120.570 -0.145 0.000 2.291 378 I HA 0.314 4.484 4.170 0.000 0.000 0.290 378 I C 1.486 177.532 176.117 -0.119 0.000 1.050 378 I CA -0.725 60.492 61.300 -0.138 0.000 1.245 378 I CB 0.184 38.141 38.000 -0.071 0.000 1.405 378 I HN 0.378 nan 8.210 nan 0.000 0.478 379 G N 4.644 113.332 108.800 -0.187 0.000 2.594 379 G HA2 0.374 4.334 3.960 0.000 0.000 0.243 379 G HA3 0.374 4.334 3.960 0.000 0.000 0.243 379 G C 0.319 175.225 174.900 0.010 0.000 1.229 379 G CA -0.360 44.670 45.100 -0.117 0.000 0.843 379 G HN 0.825 nan 8.290 nan 0.000 0.578 380 A N -0.381 122.476 122.820 0.062 0.000 2.587 380 A HA 0.486 4.806 4.320 0.000 0.000 0.235 380 A C 1.729 179.329 177.584 0.026 0.000 1.044 380 A CA 1.394 53.469 52.037 0.063 0.000 0.754 380 A CB -0.444 18.459 19.000 -0.161 0.000 0.968 380 A HN 2.666 nan 8.150 nan 0.000 0.509 381 G N 0.904 109.739 108.800 0.059 0.000 2.179 381 G HA2 -0.166 3.795 3.960 0.000 0.000 0.260 381 G HA3 -0.166 3.795 3.960 0.000 0.000 0.260 381 G C 0.283 175.202 174.900 0.033 0.000 0.977 381 G CA 0.126 45.249 45.100 0.040 0.000 0.641 381 G HN 1.418 nan 8.290 nan 0.000 0.533 382 V N 1.122 121.053 119.914 0.027 0.000 2.715 382 V HA 0.553 4.674 4.120 0.000 0.000 0.299 382 V C 0.777 176.893 176.094 0.036 0.000 1.054 382 V CA 0.388 62.695 62.300 0.012 0.000 1.077 382 V CB 1.441 33.253 31.823 -0.018 0.000 0.972 382 V HN 0.322 nan 8.190 nan 0.000 0.484 383 I N 3.470 124.062 120.570 0.036 0.000 2.534 383 I HA 0.307 4.477 4.170 0.000 0.000 0.288 383 I C 0.059 176.203 176.117 0.045 0.000 1.077 383 I CA -0.466 60.882 61.300 0.080 0.000 1.051 383 I CB 2.540 40.599 38.000 0.098 0.000 1.234 383 I HN 0.690 nan 8.210 nan 0.000 0.425 384 T N 2.501 117.070 114.554 0.025 0.000 2.856 384 T HA 0.613 4.963 4.350 0.000 0.000 0.292 384 T C -0.112 174.645 174.700 0.095 0.000 0.980 384 T CA -0.543 61.557 62.100 -0.001 0.000 1.091 384 T CB 0.991 69.795 68.868 -0.107 0.000 0.936 384 T HN 0.791 nan 8.240 nan 0.000 0.503 385 C N 1.922 121.243 119.300 0.036 0.000 3.340 385 C HA 0.783 5.243 4.460 0.000 0.000 0.333 385 C C -0.829 174.137 174.990 -0.040 0.000 1.464 385 C CA -1.099 57.935 59.018 0.026 0.000 1.337 385 C CB 1.043 28.778 27.740 -0.009 0.000 1.740 385 C HN 0.966 nan 8.230 nan 0.000 0.450 386 N N -1.119 117.546 118.700 -0.059 0.000 2.469 386 N HA 0.497 5.237 4.740 0.000 0.000 0.286 386 N C -1.569 173.855 175.510 -0.144 0.000 1.275 386 N CA -0.242 52.766 53.050 -0.069 0.000 0.790 386 N CB 1.504 39.995 38.487 0.006 0.000 1.446 386 N HN 0.764 nan 8.380 nan 0.000 0.501 387 Y N 0.158 120.506 120.300 0.080 0.000 2.330 387 Y HA -0.011 4.540 4.550 0.001 0.000 0.341 387 Y C 0.963 176.886 175.900 0.039 0.000 1.278 387 Y CA -0.060 58.079 58.100 0.064 0.000 1.453 387 Y CB 0.363 38.876 38.460 0.088 0.000 1.342 387 Y HN 0.432 nan 8.280 nan 0.000 0.590 388 D N 0.981 121.500 120.400 0.198 0.000 2.398 388 D HA 0.283 4.923 4.640 0.000 0.000 0.250 388 D C 0.120 176.487 176.300 0.111 0.000 1.287 388 D CA 0.509 54.575 54.000 0.109 0.000 0.992 388 D CB -0.355 40.495 40.800 0.083 0.000 1.071 388 D HN 0.699 nan 8.370 nan 0.000 0.514 389 G N 1.479 110.332 108.800 0.089 0.000 3.137 389 G HA2 0.735 4.696 3.960 0.000 0.000 0.196 389 G HA3 0.735 4.696 3.960 0.000 0.000 0.196 389 G C -1.218 173.701 174.900 0.031 0.000 1.135 389 G CA -0.042 45.109 45.100 0.086 0.000 0.803 389 G HN 0.587 nan 8.290 nan 0.000 0.619 390 A N -1.146 121.684 122.820 0.017 0.000 2.430 390 A HA 0.754 5.075 4.320 0.000 0.000 0.300 390 A C -0.323 177.154 177.584 -0.178 0.000 1.124 390 A CA -0.427 51.584 52.037 -0.042 0.000 0.766 390 A CB 0.704 19.704 19.000 -0.000 0.000 1.328 390 A HN 1.093 nan 8.150 nan 0.000 0.424 391 N N 0.248 118.825 118.700 -0.204 0.000 4.045 391 N HA -0.151 4.590 4.740 0.000 0.000 0.320 391 N C -0.915 174.156 175.510 -0.732 0.000 1.907 391 N CA 1.245 54.080 53.050 -0.358 0.000 3.208 391 N CB -0.195 38.122 38.487 -0.283 0.000 0.225 391 N HN 0.676 nan 8.380 nan 0.000 0.932 392 K N 1.357 121.430 120.400 -0.545 0.000 2.182 392 K HA 0.490 4.811 4.320 0.000 0.000 0.262 392 K C -0.295 176.062 176.600 -0.405 0.000 0.957 392 K CA -0.433 55.570 56.287 -0.472 0.000 0.842 392 K CB 0.935 33.334 32.500 -0.168 0.000 1.099 392 K HN 0.240 nan 8.250 nan 0.000 0.438 393 F N 1.164 121.146 119.950 0.053 0.000 2.452 393 F HA 0.423 4.950 4.527 0.000 0.000 0.353 393 F C 0.645 176.464 175.800 0.031 0.000 1.089 393 F CA -0.900 57.127 58.000 0.046 0.000 1.080 393 F CB 0.623 39.660 39.000 0.063 0.000 1.399 393 F HN 0.138 nan 8.300 nan 0.000 0.492 394 K N -0.088 120.465 120.400 0.255 0.000 2.138 394 K HA 0.523 4.843 4.320 0.000 0.000 0.263 394 K C -1.032 175.620 176.600 0.087 0.000 0.965 394 K CA -0.651 55.709 56.287 0.123 0.000 0.868 394 K CB 1.555 34.111 32.500 0.093 0.000 1.083 394 K HN 0.482 nan 8.250 nan 0.000 0.443 395 T N 3.303 117.883 114.554 0.044 0.000 2.758 395 T HA 0.391 4.741 4.350 0.000 0.000 0.285 395 T C -0.277 174.430 174.700 0.011 0.000 0.981 395 T CA -0.632 61.482 62.100 0.023 0.000 0.965 395 T CB 0.428 69.294 68.868 -0.002 0.000 0.927 395 T HN 0.253 nan 8.240 nan 0.000 0.448 396 I N 4.820 125.399 120.570 0.014 0.000 2.355 396 I HA 0.460 4.630 4.170 0.000 0.000 0.288 396 I C -0.172 175.949 176.117 0.007 0.000 0.999 396 I CA -0.812 60.494 61.300 0.009 0.000 1.163 396 I CB 1.056 39.063 38.000 0.012 0.000 1.316 396 I HN 0.589 nan 8.210 nan 0.000 0.454 397 I N 4.927 125.498 120.570 0.002 0.000 2.406 397 I HA 0.490 4.660 4.170 0.000 0.000 0.290 397 I C 1.007 177.129 176.117 0.007 0.000 0.999 397 I CA -0.361 60.942 61.300 0.004 0.000 1.124 397 I CB 2.131 40.129 38.000 -0.004 0.000 1.289 397 I HN 0.644 nan 8.210 nan 0.000 0.441 398 G N 4.361 113.169 108.800 0.013 0.000 2.485 398 G HA2 0.170 4.130 3.960 0.000 0.000 0.260 398 G HA3 0.170 4.130 3.960 0.000 0.000 0.260 398 G C -0.469 174.441 174.900 0.017 0.000 1.459 398 G CA -0.354 44.754 45.100 0.014 0.000 1.060 398 G HN 0.508 nan 8.290 nan 0.000 0.546 399 D N 0.153 120.564 120.400 0.019 0.000 2.283 399 D HA 0.265 4.906 4.640 0.000 0.000 0.248 399 D C -0.074 176.244 176.300 0.031 0.000 1.072 399 D CA -0.051 53.963 54.000 0.022 0.000 0.929 399 D CB 0.994 41.806 40.800 0.020 0.000 1.182 399 D HN 0.389 nan 8.370 nan 0.000 0.433 400 D N -0.239 120.184 120.400 0.037 0.000 2.772 400 D HA -0.143 4.498 4.640 0.000 0.000 0.233 400 D C -0.588 175.754 176.300 0.069 0.000 1.143 400 D CA 0.459 54.489 54.000 0.050 0.000 0.700 400 D CB -1.021 39.804 40.800 0.041 0.000 1.076 400 D HN 0.042 nan 8.370 nan 0.000 0.430 401 V N 0.749 120.704 119.914 0.068 0.000 2.481 401 V HA 0.459 4.579 4.120 0.000 0.000 0.286 401 V C 0.212 176.382 176.094 0.127 0.000 1.042 401 V CA -0.695 61.658 62.300 0.087 0.000 0.928 401 V CB 1.634 33.488 31.823 0.051 0.000 0.986 401 V HN 0.144 nan 8.190 nan 0.000 0.462 402 F N 5.082 125.038 119.950 0.011 0.000 2.388 402 F HA 0.659 5.187 4.527 0.000 0.000 0.358 402 F C -0.340 175.468 175.800 0.013 0.000 1.122 402 F CA -0.469 57.538 58.000 0.012 0.000 1.056 402 F CB 1.333 40.339 39.000 0.011 0.000 1.155 402 F HN 0.250 nan 8.300 nan 0.000 0.461 403 V N 6.541 126.241 119.914 -0.357 0.000 2.334 403 V HA 0.485 4.605 4.120 0.000 0.000 0.281 403 V C 0.678 176.531 176.094 -0.402 0.000 1.016 403 V CA -0.732 61.436 62.300 -0.220 0.000 0.832 403 V CB 0.858 32.603 31.823 -0.130 0.000 0.999 403 V HN 0.954 nan 8.190 nan 0.000 0.439 404 G N 3.206 111.921 108.800 -0.142 0.000 2.594 404 G HA2 0.317 4.278 3.960 0.000 0.000 0.243 404 G HA3 0.317 4.278 3.960 0.000 0.000 0.243 404 G C 0.276 175.142 174.900 -0.058 0.000 1.229 404 G CA -0.236 44.841 45.100 -0.038 0.000 0.843 404 G HN 0.661 nan 8.290 nan 0.000 0.578 405 S N -0.298 115.382 115.700 -0.032 0.000 2.563 405 S HA 0.107 4.577 4.470 0.000 0.000 0.284 405 S C 0.777 175.372 174.600 -0.008 0.000 1.331 405 S CA 0.770 58.952 58.200 -0.029 0.000 1.047 405 S CB 0.526 63.713 63.200 -0.022 0.000 0.859 405 S HN 0.855 nan 8.310 nan 0.000 0.514 406 D N 0.404 120.799 120.400 -0.008 0.000 2.837 406 D HA -0.148 4.493 4.640 0.000 0.000 0.230 406 D C -0.486 175.815 176.300 0.003 0.000 1.152 406 D CA 1.026 55.026 54.000 0.000 0.000 0.736 406 D CB -1.210 39.590 40.800 -0.001 0.000 1.084 406 D HN 0.464 nan 8.370 nan 0.000 0.429 407 T N 0.871 115.424 114.554 -0.001 0.000 2.837 407 T HA 0.494 4.844 4.350 0.000 0.000 0.285 407 T C 0.135 174.834 174.700 -0.000 0.000 0.984 407 T CA -0.575 61.526 62.100 0.001 0.000 1.049 407 T CB 1.311 70.179 68.868 -0.001 0.000 0.947 407 T HN 0.025 nan 8.240 nan 0.000 0.472 408 Q N 2.349 122.148 119.800 -0.001 0.000 2.271 408 Q HA 0.579 4.919 4.340 0.000 0.000 0.258 408 Q C -0.808 175.184 176.000 -0.013 0.000 0.936 408 Q CA -0.340 55.459 55.803 -0.006 0.000 0.909 408 Q CB 1.375 30.105 28.738 -0.014 0.000 1.253 408 Q HN 0.518 nan 8.270 nan 0.000 0.440 409 L N 2.484 123.697 121.223 -0.016 0.000 2.280 409 L HA 0.494 4.834 4.340 0.000 0.000 0.287 409 L C -0.864 175.986 176.870 -0.033 0.000 1.023 409 L CA -1.050 53.780 54.840 -0.017 0.000 0.819 409 L CB 1.168 43.218 42.059 -0.015 0.000 1.212 409 L HN 0.374 nan 8.230 nan 0.000 0.420 410 V N 3.253 123.137 119.914 -0.050 0.000 2.318 410 V HA 0.438 4.558 4.120 0.000 0.000 0.271 410 V C 0.770 176.838 176.094 -0.044 0.000 1.030 410 V CA -0.573 61.650 62.300 -0.129 0.000 0.844 410 V CB 1.072 32.737 31.823 -0.264 0.000 1.015 410 V HN 0.847 nan 8.190 nan 0.000 0.460 411 A N 8.460 131.284 122.820 0.006 0.000 2.386 411 A HA 0.631 4.952 4.320 0.000 0.000 0.248 411 A C -2.141 175.609 177.584 0.276 0.000 1.082 411 A CA -1.114 51.000 52.037 0.128 0.000 0.789 411 A CB 0.020 19.112 19.000 0.153 0.000 1.025 411 A HN 0.632 nan 8.150 nan 0.000 0.490 412 P HA 0.413 nan 4.420 nan 0.000 0.286 412 P C -0.807 176.545 177.300 0.087 0.000 1.269 412 P CA 0.000 63.179 63.100 0.131 0.000 0.787 412 P CB 1.344 33.036 31.700 -0.013 0.000 0.920 413 V N 3.820 123.772 119.914 0.063 0.000 3.120 413 V HA 0.465 4.585 4.120 0.000 0.000 0.303 413 V C -1.396 174.716 176.094 0.030 0.000 1.238 413 V CA -0.832 61.495 62.300 0.045 0.000 1.008 413 V CB 2.759 34.611 31.823 0.049 0.000 1.064 413 V HN 0.431 nan 8.190 nan 0.000 0.434 414 K N 3.715 124.129 120.400 0.023 0.000 2.397 414 K HA 0.782 5.102 4.320 0.000 0.000 0.253 414 K C -1.676 174.935 176.600 0.018 0.000 0.932 414 K CA -0.690 55.608 56.287 0.017 0.000 0.795 414 K CB 2.456 34.964 32.500 0.013 0.000 1.159 414 K HN 0.437 nan 8.250 nan 0.000 0.424 415 V N 2.470 122.394 119.914 0.017 0.000 2.407 415 V HA 0.417 4.537 4.120 0.000 0.000 0.291 415 V C -0.005 176.101 176.094 0.020 0.000 1.018 415 V CA -0.841 61.471 62.300 0.020 0.000 0.842 415 V CB 1.252 33.087 31.823 0.021 0.000 0.996 415 V HN 0.964 nan 8.190 nan 0.000 0.426 416 A N 4.628 127.460 122.820 0.020 0.000 2.280 416 A HA 0.524 4.845 4.320 0.000 0.000 0.268 416 A C 0.460 178.057 177.584 0.022 0.000 1.111 416 A CA -0.521 51.527 52.037 0.018 0.000 0.814 416 A CB 0.097 19.106 19.000 0.016 0.000 1.093 416 A HN 0.780 nan 8.150 nan 0.000 0.498 417 N N -0.050 118.662 118.700 0.020 0.000 2.356 417 N HA 0.268 5.008 4.740 0.000 0.000 0.252 417 N C 1.171 176.697 175.510 0.027 0.000 1.241 417 N CA 1.675 54.738 53.050 0.023 0.000 0.861 417 N CB 0.354 38.852 38.487 0.018 0.000 1.075 417 N HN 1.345 nan 8.380 nan 0.000 0.461 418 G N -0.530 108.291 108.800 0.034 0.000 2.184 418 G HA2 -0.252 3.708 3.960 0.000 0.000 0.264 418 G HA3 -0.252 3.708 3.960 0.000 0.000 0.264 418 G C 0.348 175.274 174.900 0.044 0.000 0.975 418 G CA 0.487 45.609 45.100 0.037 0.000 0.642 418 G HN 0.944 nan 8.290 nan 0.000 0.536 419 A N -0.421 122.429 122.820 0.049 0.000 2.386 419 A HA 0.695 5.015 4.320 0.000 0.000 0.248 419 A C 0.581 178.219 177.584 0.090 0.000 1.082 419 A CA 1.261 53.331 52.037 0.055 0.000 0.789 419 A CB 0.527 19.556 19.000 0.048 0.000 1.025 419 A HN 0.900 nan 8.150 nan 0.000 0.490 420 T N 1.666 116.274 114.554 0.090 0.000 2.879 420 T HA 0.565 4.916 4.350 0.000 0.000 0.290 420 T C -0.607 174.178 174.700 0.142 0.000 0.993 420 T CA 0.031 62.214 62.100 0.140 0.000 0.975 420 T CB 0.686 69.579 68.868 0.042 0.000 0.981 420 T HN 0.442 nan 8.240 nan 0.000 0.439 421 I N 2.279 122.985 120.570 0.227 0.000 2.418 421 I HA 0.492 4.663 4.170 0.000 0.000 0.287 421 I C 1.041 177.284 176.117 0.209 0.000 1.008 421 I CA -0.880 60.515 61.300 0.158 0.000 1.104 421 I CB 1.750 39.810 38.000 0.101 0.000 1.264 421 I HN 0.747 nan 8.210 nan 0.000 0.438 422 G N 4.023 112.906 108.800 0.138 0.000 2.636 422 G HA2 0.454 4.414 3.960 0.000 0.000 0.246 422 G HA3 0.454 4.414 3.960 0.000 0.000 0.246 422 G C 0.166 175.137 174.900 0.117 0.000 1.216 422 G CA -0.345 44.834 45.100 0.133 0.000 0.854 422 G HN 0.788 nan 8.290 nan 0.000 0.572 423 A N -0.521 122.368 122.820 0.115 0.000 2.483 423 A HA 0.540 4.860 4.320 0.000 0.000 0.238 423 A C 1.592 179.203 177.584 0.045 0.000 1.070 423 A CA 1.054 53.135 52.037 0.073 0.000 0.770 423 A CB -0.246 18.795 19.000 0.069 0.000 1.008 423 A HN 2.625 nan 8.150 nan 0.000 0.497 424 G N 1.632 110.449 108.800 0.028 0.000 2.147 424 G HA2 -0.179 3.781 3.960 0.000 0.000 0.244 424 G HA3 -0.179 3.781 3.960 0.000 0.000 0.244 424 G C 0.331 175.242 174.900 0.019 0.000 1.005 424 G CA 0.522 45.633 45.100 0.018 0.000 0.713 424 G HN 1.142 nan 8.290 nan 0.000 0.515 425 T N 0.964 115.532 114.554 0.023 0.000 2.909 425 T HA 0.585 4.935 4.350 0.000 0.000 0.286 425 T C 0.362 175.072 174.700 0.015 0.000 1.002 425 T CA 0.425 62.539 62.100 0.023 0.000 1.074 425 T CB 1.418 70.306 68.868 0.033 0.000 0.984 425 T HN 0.190 nan 8.240 nan 0.000 0.495 426 T N 3.986 118.549 114.554 0.015 0.000 2.788 426 T HA 0.417 4.767 4.350 0.000 0.000 0.296 426 T C -0.183 174.527 174.700 0.016 0.000 1.009 426 T CA -0.585 61.521 62.100 0.010 0.000 0.949 426 T CB 0.166 69.039 68.868 0.009 0.000 0.946 426 T HN 0.305 nan 8.240 nan 0.000 0.453 427 I N 4.734 125.311 120.570 0.012 0.000 2.307 427 I HA 0.245 4.415 4.170 0.000 0.000 0.289 427 I C 1.528 177.661 176.117 0.026 0.000 1.021 427 I CA -0.258 61.055 61.300 0.022 0.000 1.224 427 I CB 0.920 38.932 38.000 0.020 0.000 1.376 427 I HN 0.763 nan 8.210 nan 0.000 0.470 428 T N 3.434 118.019 114.554 0.051 0.000 2.964 428 T HA 0.273 4.624 4.350 0.000 0.000 0.249 428 T C 0.914 175.670 174.700 0.094 0.000 1.000 428 T CA -0.180 61.977 62.100 0.094 0.000 0.992 428 T CB 0.488 69.441 68.868 0.142 0.000 1.087 428 T HN 0.403 nan 8.240 nan 0.000 0.489 429 R N 1.866 122.404 120.500 0.063 0.000 2.540 429 R HA 0.507 4.848 4.340 0.000 0.000 0.287 429 R C -1.134 175.188 176.300 0.037 0.000 0.980 429 R CA -0.941 55.187 56.100 0.047 0.000 0.966 429 R CB 0.662 30.984 30.300 0.037 0.000 1.106 429 R HN 0.206 nan 8.270 nan 0.000 0.480 430 D N 1.192 121.610 120.400 0.029 0.000 2.472 430 D HA 0.048 4.688 4.640 0.000 0.000 0.237 430 D C -0.336 175.977 176.300 0.022 0.000 1.141 430 D CA 0.319 54.333 54.000 0.023 0.000 0.875 430 D CB 0.858 41.668 40.800 0.016 0.000 1.192 430 D HN 0.025 nan 8.370 nan 0.000 0.450 431 V N 1.792 121.720 119.914 0.023 0.000 2.398 431 V HA 0.548 4.669 4.120 0.000 0.000 0.286 431 V C 1.066 177.172 176.094 0.021 0.000 1.026 431 V CA -0.814 61.500 62.300 0.024 0.000 0.868 431 V CB 1.613 33.453 31.823 0.029 0.000 0.982 431 V HN 0.583 nan 8.190 nan 0.000 0.443 432 G N 2.517 111.329 108.800 0.019 0.000 2.580 432 G HA2 0.380 4.340 3.960 0.000 0.000 0.278 432 G HA3 0.380 4.340 3.960 0.000 0.000 0.278 432 G C -0.187 174.723 174.900 0.017 0.000 1.212 432 G CA -0.410 44.699 45.100 0.016 0.000 0.939 432 G HN 0.789 nan 8.290 nan 0.000 0.513 433 E N -0.516 119.693 120.200 0.015 0.000 2.414 433 E HA -0.019 4.331 4.350 0.000 0.000 0.263 433 E C 0.465 177.075 176.600 0.015 0.000 1.000 433 E CA 0.327 56.736 56.400 0.016 0.000 0.914 433 E CB -0.145 29.562 29.700 0.013 0.000 0.948 433 E HN 0.593 nan 8.360 nan 0.000 0.444 434 N N 2.017 120.728 118.700 0.018 0.000 2.693 434 N HA -0.276 4.465 4.740 0.000 0.000 0.249 434 N C -0.844 174.675 175.510 0.015 0.000 1.119 434 N CA 0.695 53.755 53.050 0.015 0.000 0.717 434 N CB -0.626 37.867 38.487 0.010 0.000 1.071 434 N HN 0.591 nan 8.380 nan 0.000 0.555 435 E N 1.014 121.226 120.200 0.019 0.000 2.227 435 E HA 0.359 4.710 4.350 0.000 0.000 0.282 435 E C -0.815 175.800 176.600 0.025 0.000 1.015 435 E CA -0.772 55.639 56.400 0.019 0.000 0.823 435 E CB 0.762 30.474 29.700 0.020 0.000 1.081 435 E HN 0.193 nan 8.360 nan 0.000 0.396 436 L N 5.500 126.734 121.223 0.019 0.000 2.275 436 L HA 0.381 4.722 4.340 0.000 0.000 0.288 436 L C -1.486 175.399 176.870 0.025 0.000 1.046 436 L CA -0.511 54.342 54.840 0.022 0.000 0.805 436 L CB 1.534 43.596 42.059 0.006 0.000 1.193 436 L HN 0.335 nan 8.230 nan 0.000 0.426 437 V N 7.040 126.976 119.914 0.037 0.000 2.407 437 V HA 0.500 4.621 4.120 0.000 0.000 0.291 437 V C -0.121 175.997 176.094 0.040 0.000 1.018 437 V CA -0.457 61.865 62.300 0.035 0.000 0.842 437 V CB 1.281 33.127 31.823 0.038 0.000 0.996 437 V HN 0.749 nan 8.190 nan 0.000 0.426 438 I N 0.962 121.551 120.570 0.031 0.000 2.545 438 I HA 0.672 4.842 4.170 0.000 0.000 0.292 438 I C -0.042 176.091 176.117 0.027 0.000 1.040 438 I CA -0.453 60.866 61.300 0.031 0.000 1.068 438 I CB 2.309 40.324 38.000 0.024 0.000 1.251 438 I HN 0.372 nan 8.210 nan 0.000 0.424 439 T N 4.870 119.441 114.554 0.028 0.000 2.851 439 T HA 0.330 4.680 4.350 0.000 0.000 0.298 439 T C 0.155 174.867 174.700 0.020 0.000 0.977 439 T CA -0.340 61.775 62.100 0.024 0.000 1.126 439 T CB 0.365 69.247 68.868 0.023 0.000 0.916 439 T HN 0.516 nan 8.240 nan 0.000 0.529 440 R N 2.185 122.696 120.500 0.018 0.000 2.196 440 R HA 0.444 4.784 4.340 0.000 0.000 0.340 440 R C 0.107 176.417 176.300 0.016 0.000 1.043 440 R CA -0.641 55.469 56.100 0.016 0.000 0.883 440 R CB 0.540 30.849 30.300 0.014 0.000 1.078 440 R HN 0.530 nan 8.270 nan 0.000 0.462 441 V N 0.011 119.936 119.914 0.018 0.000 2.716 441 V HA 0.838 4.958 4.120 0.000 0.000 0.304 441 V C 0.135 176.241 176.094 0.020 0.000 1.053 441 V CA -0.996 61.314 62.300 0.016 0.000 0.984 441 V CB 1.654 33.486 31.823 0.016 0.000 1.021 441 V HN 0.733 nan 8.190 nan 0.000 0.467 442 A N 3.664 126.493 122.820 0.014 0.000 2.303 442 A HA 0.777 5.097 4.320 0.000 0.000 0.320 442 A C -0.355 177.235 177.584 0.010 0.000 1.192 442 A CA -0.676 51.371 52.037 0.018 0.000 0.821 442 A CB 1.101 20.107 19.000 0.010 0.000 1.188 442 A HN 0.953 nan 8.150 nan 0.000 0.492 443 Q N 0.912 120.734 119.800 0.036 0.000 2.394 443 Q HA 0.473 4.813 4.340 0.000 0.000 0.273 443 Q C -0.733 175.284 176.000 0.028 0.000 1.089 443 Q CA -0.997 54.802 55.803 -0.006 0.000 0.812 443 Q CB 2.525 31.261 28.738 -0.002 0.000 1.353 443 Q HN 0.633 nan 8.270 nan 0.000 0.438 444 R N 1.890 122.342 120.500 -0.080 0.000 2.294 444 R HA 0.330 4.670 4.340 0.000 0.000 0.319 444 R C -1.268 174.938 176.300 -0.158 0.000 0.984 444 R CA -0.233 55.838 56.100 -0.047 0.000 0.861 444 R CB 0.649 30.901 30.300 -0.081 0.000 1.104 444 R HN 0.714 nan 8.270 nan 0.000 0.451 445 H N 5.438 124.482 119.070 -0.044 0.000 2.511 445 H HA 0.391 4.948 4.556 0.000 0.000 0.328 445 H C -0.180 175.129 175.328 -0.032 0.000 1.044 445 H CA -0.607 55.419 56.048 -0.037 0.000 1.212 445 H CB 1.897 31.648 29.762 -0.017 0.000 1.428 445 H HN 0.385 nan 8.280 nan 0.000 0.483 446 I N 4.173 124.763 120.570 0.034 0.000 2.411 446 I HA 0.078 4.249 4.170 0.000 0.000 0.284 446 I C -0.210 175.970 176.117 0.105 0.000 1.012 446 I CA -0.834 60.489 61.300 0.038 0.000 1.119 446 I CB 1.484 39.449 38.000 -0.059 0.000 1.261 446 I HN 0.334 nan 8.210 nan 0.000 0.448 447 Q N 3.844 123.713 119.800 0.114 0.000 2.260 447 Q HA 0.356 4.697 4.340 0.000 0.000 0.242 447 Q C 1.005 177.092 176.000 0.144 0.000 0.932 447 Q CA -0.094 55.781 55.803 0.119 0.000 0.891 447 Q CB 1.308 30.096 28.738 0.083 0.000 1.222 447 Q HN 0.936 nan 8.270 nan 0.000 0.453 448 G N 1.139 110.018 108.800 0.132 0.000 2.221 448 G HA2 -0.227 3.733 3.960 0.000 0.000 0.265 448 G HA3 -0.227 3.733 3.960 0.000 0.000 0.265 448 G C -0.478 174.518 174.900 0.159 0.000 1.041 448 G CA 0.098 45.264 45.100 0.111 0.000 0.807 448 G HN 0.648 nan 8.290 nan 0.000 0.502 449 W N 1.167 122.472 121.300 0.009 0.000 2.507 449 W HA 0.593 5.253 4.660 0.001 0.000 0.334 449 W C 0.138 176.658 176.519 0.002 0.000 1.165 449 W CA -0.814 56.534 57.345 0.004 0.000 1.460 449 W CB 0.677 30.138 29.460 0.001 0.000 1.404 449 W HN 0.243 nan 8.180 nan 0.000 0.435 450 Q N 5.598 125.137 119.800 -0.434 0.000 2.314 450 Q HA 0.181 4.521 4.340 0.000 0.000 0.257 450 Q C 0.024 175.720 176.000 -0.506 0.000 0.975 450 Q CA 0.122 55.716 55.803 -0.349 0.000 0.933 450 Q CB 0.547 29.128 28.738 -0.261 0.000 1.195 450 Q HN 0.419 nan 8.270 nan 0.000 0.426 451 R N 4.158 124.505 120.500 -0.255 0.000 2.641 451 R HA 0.263 4.603 4.340 0.000 0.000 0.269 451 R C -1.522 174.692 176.300 -0.144 0.000 1.074 451 R CA -1.351 54.654 56.100 -0.158 0.000 1.133 451 R CB -0.359 29.934 30.300 -0.011 0.000 1.029 451 R HN 0.645 nan 8.270 nan 0.000 0.488 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 63.054 63.100 -0.076 0.000 0.800 452 P CB 0.000 31.679 31.700 -0.035 0.000 0.726