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 3cqy_1_A DATA FIRST_RESID 0 DATA SEQUENCE GXNKAYYIGL XSGTSXDGVD AVLVDFAGEQ PQLIGTHTET IPTHLLKGLQ DATA SEQUENCE RLCLPGTDEI NRLGRLDRSV GKLFALAVNN LLAKTKIAKD EIIAIGSHGQ DATA SEQUENCE TVRHXPNLEV GFTLQIGDPN TIATETGIDV IADFRRKDIA LGGQGAPLVP DATA SEQUENCE AFHQQTFAQV GKKRVILNIG GIANITYLPG NSEEVLGFDT GPGNTLIDAW DATA SEQUENCE VQQVKNESYD KNGAWAASGK TDPQLLAQLL SHPYFSLAYP KSTGRELFNQ DATA SEQUENCE AWLEQQLSAF NQLNEEDIQS TLLDLTCHSI AQDILKLAQE GELFVCGGGA DATA SEQUENCE FNAELXQRLA ALLPGYRIDT TSALGVDPKW AEGIAFAWLA XRYQLGLPAN DATA SEQUENCE LPAVTGASRE AILGGRFSAK 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 0 G C 0.000 174.848 174.900 -0.087 0.000 0.946 0 G CA 0.000 45.066 45.100 -0.056 0.000 0.502 3 K N 0.774 121.059 120.400 -0.193 0.000 2.259 3 K HA 0.842 5.162 4.320 0.000 0.000 0.249 3 K C -0.896 175.516 176.600 -0.313 0.000 0.942 3 K CA -0.864 55.195 56.287 -0.380 0.000 0.816 3 K CB 2.459 34.503 32.500 -0.760 0.000 1.155 3 K HN 0.261 nan 8.250 nan 0.000 0.428 4 A N 3.154 125.830 122.820 -0.240 0.000 2.893 4 A HA 0.391 4.711 4.320 0.000 0.000 0.333 4 A C -1.386 176.238 177.584 0.066 0.000 1.152 4 A CA -0.650 51.365 52.037 -0.037 0.000 0.782 4 A CB -0.016 19.102 19.000 0.196 0.000 1.108 4 A HN 0.513 nan 8.150 nan 0.000 0.469 5 Y N 0.827 121.116 120.300 -0.018 0.000 2.359 5 Y HA 0.448 4.998 4.550 0.000 0.000 0.334 5 Y C -0.106 175.704 175.900 -0.151 0.000 1.058 5 Y CA -0.100 57.984 58.100 -0.027 0.000 1.244 5 Y CB 0.123 38.548 38.460 -0.058 0.000 1.187 5 Y HN 0.571 nan 8.280 nan 0.000 0.510 6 Y N 2.509 122.974 120.300 0.274 0.000 2.536 6 Y HA 0.603 5.153 4.550 0.000 0.000 0.347 6 Y C -0.277 175.722 175.900 0.166 0.000 1.000 6 Y CA -1.126 57.122 58.100 0.247 0.000 1.051 6 Y CB 1.705 40.391 38.460 0.376 0.000 1.259 6 Y HN 0.316 nan 8.280 nan 0.000 0.468 7 I N 1.500 122.252 120.570 0.303 0.000 2.412 7 I HA 0.583 4.753 4.170 0.000 0.000 0.296 7 I C 0.243 176.515 176.117 0.259 0.000 0.987 7 I CA -0.570 60.850 61.300 0.201 0.000 1.180 7 I CB 1.720 39.789 38.000 0.116 0.000 1.340 7 I HN 0.767 nan 8.210 nan 0.000 0.455 8 G N 6.386 115.314 108.800 0.213 0.000 2.461 8 G HA2 0.756 4.716 3.960 0.000 0.000 0.323 8 G HA3 0.756 4.716 3.960 0.000 0.000 0.323 8 G C -0.928 174.079 174.900 0.179 0.000 1.229 8 G CA -0.368 44.882 45.100 0.249 0.000 0.941 8 G HN 0.417 nan 8.290 nan 0.000 0.477 12 G N 2.132 110.923 108.800 -0.016 0.000 2.606 12 G HA2 0.350 4.310 3.960 0.000 0.000 0.252 12 G HA3 0.350 4.310 3.960 0.000 0.000 0.252 12 G C 0.976 175.881 174.900 0.008 0.000 1.206 12 G CA 0.204 45.285 45.100 -0.031 0.000 0.861 12 G HN 0.650 nan 8.290 nan 0.000 0.561 13 T N -0.372 114.187 114.554 0.008 0.000 2.977 13 T HA -0.027 4.323 4.350 0.000 0.000 0.271 13 T C 1.799 176.512 174.700 0.022 0.000 1.105 13 T CA 1.316 63.433 62.100 0.027 0.000 1.116 13 T CB -0.256 68.627 68.868 0.026 0.000 0.878 13 T HN 0.618 nan 8.240 nan 0.000 0.509 17 G N 0.223 108.982 108.800 -0.069 0.000 2.355 17 G HA2 0.061 4.021 3.960 0.000 0.000 0.619 17 G HA3 0.061 4.021 3.960 0.000 0.000 0.619 17 G C -1.025 173.812 174.900 -0.105 0.000 1.337 17 G CA -0.513 44.539 45.100 -0.080 0.000 0.993 17 G HN 0.123 nan 8.290 nan 0.000 0.599 18 V N 1.784 121.606 119.914 -0.153 0.000 2.389 18 V HA 0.322 4.442 4.120 0.000 0.000 0.264 18 V C -0.219 175.757 176.094 -0.198 0.000 1.049 18 V CA -0.642 61.482 62.300 -0.293 0.000 0.932 18 V CB 1.094 32.612 31.823 -0.508 0.000 1.011 18 V HN 0.573 nan 8.190 nan 0.000 0.475 19 D N 4.437 124.767 120.400 -0.117 0.000 2.312 19 D HA 0.571 5.211 4.640 0.000 0.000 0.252 19 D C 0.100 176.435 176.300 0.058 0.000 1.150 19 D CA 0.243 54.296 54.000 0.089 0.000 0.870 19 D CB 2.034 42.943 40.800 0.181 0.000 1.153 19 D HN 0.697 nan 8.370 nan 0.000 0.457 20 A N 1.821 124.695 122.820 0.090 0.000 2.356 20 A HA 0.617 4.937 4.320 0.000 0.000 0.310 20 A C -0.439 177.117 177.584 -0.046 0.000 1.075 20 A CA -0.745 51.306 52.037 0.024 0.000 0.746 20 A CB 1.421 20.439 19.000 0.030 0.000 1.221 20 A HN 0.373 nan 8.150 nan 0.000 0.443 21 V N 0.688 120.591 119.914 -0.018 0.000 2.735 21 V HA 0.850 4.970 4.120 0.000 0.000 0.310 21 V C -1.164 174.901 176.094 -0.048 0.000 1.061 21 V CA -0.937 61.307 62.300 -0.092 0.000 0.913 21 V CB 1.540 33.350 31.823 -0.023 0.000 1.005 21 V HN 1.022 nan 8.190 nan 0.000 0.428 22 L N 5.704 126.862 121.223 -0.108 0.000 2.305 22 L HA 0.858 5.198 4.340 0.000 0.000 0.284 22 L C -0.574 176.250 176.870 -0.078 0.000 1.013 22 L CA -0.365 54.423 54.840 -0.086 0.000 0.819 22 L CB 1.299 43.257 42.059 -0.168 0.000 1.227 22 L HN 0.699 nan 8.230 nan 0.000 0.417 23 V N 3.709 123.605 119.914 -0.029 0.000 2.656 23 V HA 0.459 4.579 4.120 0.000 0.000 0.307 23 V C -0.926 175.114 176.094 -0.090 0.000 1.051 23 V CA -0.807 61.393 62.300 -0.166 0.000 0.893 23 V CB 1.933 33.487 31.823 -0.449 0.000 0.999 23 V HN 0.722 nan 8.190 nan 0.000 0.426 24 D N 2.179 122.520 120.400 -0.099 0.000 2.280 24 D HA 0.445 5.085 4.640 0.000 0.000 0.236 24 D C -0.288 175.913 176.300 -0.165 0.000 1.082 24 D CA -0.297 53.685 54.000 -0.030 0.000 0.834 24 D CB 1.195 42.016 40.800 0.034 0.000 1.100 24 D HN 0.338 nan 8.370 nan 0.000 0.486 25 F N 2.148 122.206 119.950 0.180 0.000 2.639 25 F HA 0.325 4.852 4.527 0.000 0.000 0.302 25 F C 1.983 177.838 175.800 0.093 0.000 1.097 25 F CA -0.305 57.783 58.000 0.147 0.000 1.294 25 F CB 0.050 39.134 39.000 0.141 0.000 1.027 25 F HN 0.518 nan 8.300 nan 0.000 0.550 26 A N 0.251 123.177 122.820 0.177 0.000 1.972 26 A HA 0.167 4.487 4.320 0.000 0.000 0.219 26 A C 1.915 179.550 177.584 0.084 0.000 1.169 26 A CA 1.394 53.489 52.037 0.096 0.000 0.635 26 A CB -1.008 17.997 19.000 0.009 0.000 0.810 26 A HN 0.340 nan 8.150 nan 0.000 0.446 27 G N -1.936 106.917 108.800 0.089 0.000 2.531 27 G HA2 0.377 4.337 3.960 0.000 0.000 0.281 27 G HA3 0.377 4.337 3.960 0.000 0.000 0.281 27 G C 0.533 175.488 174.900 0.092 0.000 1.382 27 G CA 0.033 45.175 45.100 0.070 0.000 1.045 27 G HN 0.230 nan 8.290 nan 0.000 0.533 28 E N -0.714 119.524 120.200 0.064 0.000 2.046 28 E HA -0.038 4.312 4.350 0.000 0.000 0.190 28 E C 0.567 177.209 176.600 0.070 0.000 0.982 28 E CA 0.808 57.242 56.400 0.057 0.000 0.800 28 E CB 0.124 29.841 29.700 0.029 0.000 0.756 28 E HN 0.266 nan 8.360 nan 0.000 0.449 29 Q N 0.639 120.476 119.800 0.062 0.000 2.235 29 Q HA 0.321 4.661 4.340 0.000 0.000 0.256 29 Q C -2.353 173.716 176.000 0.115 0.000 0.951 29 Q CA -2.252 53.587 55.803 0.061 0.000 0.890 29 Q CB 1.054 29.804 28.738 0.020 0.000 1.279 29 Q HN 0.014 nan 8.270 nan 0.000 0.444 30 P HA 0.034 nan 4.420 nan 0.000 0.268 30 P C -1.061 176.246 177.300 0.011 0.000 1.205 30 P CA 0.147 63.315 63.100 0.114 0.000 0.771 30 P CB 0.450 32.295 31.700 0.240 0.000 0.858 31 Q N 1.493 121.253 119.800 -0.066 0.000 2.341 31 Q HA 0.467 4.807 4.340 0.000 0.000 0.268 31 Q C -0.864 175.102 176.000 -0.056 0.000 1.013 31 Q CA -0.753 55.033 55.803 -0.027 0.000 0.798 31 Q CB 1.425 30.162 28.738 -0.001 0.000 1.253 31 Q HN 0.294 nan 8.270 nan 0.000 0.457 32 L N 3.986 125.193 121.223 -0.027 0.000 2.313 32 L HA 0.185 4.525 4.340 0.000 0.000 0.282 32 L C -0.117 176.718 176.870 -0.057 0.000 1.092 32 L CA 0.449 55.259 54.840 -0.051 0.000 0.831 32 L CB 0.369 42.414 42.059 -0.024 0.000 1.159 32 L HN 0.772 nan 8.230 nan 0.000 0.442 33 I N 3.563 124.086 120.570 -0.079 0.000 2.810 33 I HA 0.365 4.535 4.170 0.000 0.000 0.262 33 I C 1.064 177.104 176.117 -0.129 0.000 1.131 33 I CA 0.648 61.902 61.300 -0.077 0.000 1.453 33 I CB -1.027 36.926 38.000 -0.077 0.000 1.161 33 I HN 0.662 nan 8.210 nan 0.000 0.444 34 G N 0.537 109.226 108.800 -0.185 0.000 2.698 34 G HA2 0.550 4.510 3.960 0.000 0.000 0.293 34 G HA3 0.550 4.510 3.960 0.000 0.000 0.293 34 G C -1.059 173.632 174.900 -0.350 0.000 1.437 34 G CA -0.092 44.871 45.100 -0.229 0.000 0.852 34 G HN 0.120 nan 8.290 nan 0.000 0.499 35 T N -1.975 112.312 114.554 -0.445 0.000 2.896 35 T HA 0.781 5.131 4.350 0.000 0.000 0.297 35 T C -1.189 173.283 174.700 -0.380 0.000 1.108 35 T CA -0.846 60.796 62.100 -0.762 0.000 1.004 35 T CB 2.385 70.197 68.868 -1.760 0.000 1.159 35 T HN 1.301 nan 8.240 nan 0.000 0.499 36 H N -0.514 118.302 119.070 -0.422 0.000 3.129 36 H HA 0.500 5.056 4.556 0.000 0.000 0.342 36 H C -1.498 173.878 175.328 0.081 0.000 1.092 36 H CA -0.205 55.779 56.048 -0.108 0.000 1.310 36 H CB 1.861 31.564 29.762 -0.100 0.000 1.932 36 H HN 0.823 nan 8.280 nan 0.000 0.507 37 T N 4.158 118.455 114.554 -0.427 0.000 2.758 37 T HA 0.220 4.570 4.350 0.000 0.000 0.285 37 T C -0.346 173.943 174.700 -0.685 0.000 0.981 37 T CA -0.631 61.254 62.100 -0.359 0.000 0.965 37 T CB 0.984 69.793 68.868 -0.098 0.000 0.927 37 T HN 0.490 nan 8.240 nan 0.000 0.448 38 E N 2.728 122.687 120.200 -0.401 0.000 2.081 38 E HA 0.269 4.619 4.350 0.000 0.000 0.281 38 E C -0.214 176.326 176.600 -0.101 0.000 0.986 38 E CA -0.301 56.000 56.400 -0.165 0.000 0.796 38 E CB 0.471 30.174 29.700 0.005 0.000 1.085 38 E HN 0.449 nan 8.360 nan 0.000 0.398 39 T N 5.480 119.992 114.554 -0.069 0.000 2.871 39 T HA 0.065 4.415 4.350 0.000 0.000 0.296 39 T C 0.582 175.263 174.700 -0.031 0.000 0.998 39 T CA 0.191 62.264 62.100 -0.045 0.000 1.162 39 T CB -0.076 68.776 68.868 -0.027 0.000 0.947 39 T HN 0.399 nan 8.240 nan 0.000 0.536 40 I N 6.976 127.524 120.570 -0.037 0.000 2.505 40 I HA 0.155 4.325 4.170 0.000 0.000 0.287 40 I C -1.763 174.304 176.117 -0.085 0.000 1.104 40 I CA -2.038 59.236 61.300 -0.045 0.000 1.387 40 I CB 0.288 38.270 38.000 -0.030 0.000 1.404 40 I HN 0.376 nan 8.210 nan 0.000 0.528 41 P HA 0.028 nan 4.420 nan 0.000 0.269 41 P C 0.996 178.134 177.300 -0.271 0.000 1.215 41 P CA -0.220 62.759 63.100 -0.201 0.000 0.780 41 P CB 0.503 32.025 31.700 -0.296 0.000 0.898 42 T N -1.255 113.213 114.554 -0.143 0.000 2.867 42 T HA -0.226 4.124 4.350 0.000 0.000 0.268 42 T C 1.531 176.182 174.700 -0.081 0.000 1.057 42 T CA 1.699 63.751 62.100 -0.080 0.000 1.136 42 T CB -1.346 67.516 68.868 -0.011 0.000 0.874 42 T HN 0.588 nan 8.240 nan 0.000 0.466 43 H N 1.034 120.114 119.070 0.017 0.000 2.387 43 H HA 0.067 4.623 4.556 0.000 0.000 0.299 43 H C 2.117 177.456 175.328 0.019 0.000 1.099 43 H CA 1.330 57.388 56.048 0.016 0.000 1.315 43 H CB -0.801 28.970 29.762 0.014 0.000 1.380 43 H HN 0.332 nan 8.280 nan 0.000 0.513 44 L N -0.328 120.637 121.223 -0.429 0.000 2.131 44 L HA 0.041 4.381 4.340 0.000 0.000 0.206 44 L C 2.064 178.889 176.870 -0.075 0.000 1.087 44 L CA 0.997 55.739 54.840 -0.163 0.000 0.767 44 L CB -0.854 41.078 42.059 -0.212 0.000 0.917 44 L HN 0.353 nan 8.230 nan 0.000 0.441 45 L N -0.115 121.050 121.223 -0.096 0.000 2.012 45 L HA -0.218 4.122 4.340 0.000 0.000 0.210 45 L C 2.528 179.395 176.870 -0.004 0.000 1.073 45 L CA 1.772 56.590 54.840 -0.036 0.000 0.748 45 L CB -0.936 41.100 42.059 -0.039 0.000 0.891 45 L HN 0.252 nan 8.230 nan 0.000 0.431 46 K N -0.781 119.621 120.400 0.003 0.000 2.057 46 K HA -0.055 4.265 4.320 0.000 0.000 0.207 46 K C 2.047 178.666 176.600 0.032 0.000 1.049 46 K CA 1.247 57.549 56.287 0.024 0.000 0.931 46 K CB -1.015 31.507 32.500 0.037 0.000 0.714 46 K HN 0.470 nan 8.250 nan 0.000 0.440 47 G N 1.905 110.728 108.800 0.038 0.000 2.446 47 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 47 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 47 G C 1.708 176.627 174.900 0.031 0.000 1.168 47 G CA 0.638 45.762 45.100 0.040 0.000 0.771 47 G HN 0.152 nan 8.290 nan 0.000 0.551 48 L N -0.145 121.094 121.223 0.026 0.000 2.083 48 L HA -0.143 4.197 4.340 0.000 0.000 0.209 48 L C 3.157 180.046 176.870 0.032 0.000 1.083 48 L CA 1.276 56.132 54.840 0.027 0.000 0.752 48 L CB -0.453 41.621 42.059 0.026 0.000 0.899 48 L HN 0.289 nan 8.230 nan 0.000 0.433 49 Q N -0.335 119.484 119.800 0.032 0.000 2.170 49 Q HA -0.178 4.162 4.340 0.000 0.000 0.203 49 Q C 2.209 178.231 176.000 0.037 0.000 0.976 49 Q CA 1.181 57.005 55.803 0.036 0.000 0.858 49 Q CB -0.077 28.682 28.738 0.034 0.000 0.907 49 Q HN 0.419 nan 8.270 nan 0.000 0.433 50 R N 0.274 120.795 120.500 0.034 0.000 2.285 50 R HA -0.020 4.321 4.340 0.000 0.000 0.213 50 R C 1.616 177.936 176.300 0.033 0.000 1.068 50 R CA 0.455 56.574 56.100 0.033 0.000 1.004 50 R CB -0.091 30.228 30.300 0.030 0.000 0.873 50 R HN 0.264 nan 8.270 nan 0.000 0.467 51 L N -0.256 120.988 121.223 0.035 0.000 2.633 51 L HA -0.100 4.240 4.340 0.000 0.000 0.235 51 L C 0.907 177.802 176.870 0.042 0.000 1.163 51 L CA 0.294 55.155 54.840 0.036 0.000 0.859 51 L CB 0.023 42.104 42.059 0.036 0.000 0.973 51 L HN 0.288 nan 8.230 nan 0.000 0.451 52 C N -0.361 118.965 119.300 0.043 0.000 2.881 52 C HA 0.340 4.800 4.460 0.000 0.000 0.290 52 C C 0.745 175.760 174.990 0.042 0.000 1.362 52 C CA -0.709 58.337 59.018 0.046 0.000 1.757 52 C CB -0.828 26.943 27.740 0.051 0.000 2.265 52 C HN 0.183 nan 8.230 nan 0.000 0.600 53 L N 2.782 124.027 121.223 0.037 0.000 2.295 53 L HA 0.370 4.710 4.340 0.000 0.000 0.281 53 L C -2.420 174.467 176.870 0.029 0.000 1.018 53 L CA -1.431 53.428 54.840 0.033 0.000 0.841 53 L CB 1.327 43.405 42.059 0.030 0.000 1.218 53 L HN -0.063 nan 8.230 nan 0.000 0.424 54 P HA 0.119 nan 4.420 nan 0.000 0.272 54 P C 0.684 177.996 177.300 0.020 0.000 1.240 54 P CA -0.007 63.108 63.100 0.025 0.000 0.791 54 P CB 0.677 32.392 31.700 0.026 0.000 0.978 55 G N 0.525 109.335 108.800 0.017 0.000 2.341 55 G HA2 -0.225 3.735 3.960 0.000 0.000 0.292 55 G HA3 -0.225 3.735 3.960 0.000 0.000 0.292 55 G C 0.329 175.237 174.900 0.014 0.000 1.021 55 G CA 0.783 45.891 45.100 0.014 0.000 0.905 55 G HN 0.815 nan 8.290 nan 0.000 0.508 56 T N -3.149 111.414 114.554 0.014 0.000 3.633 56 T HA 0.442 4.792 4.350 0.000 0.000 0.278 56 T C 0.156 174.864 174.700 0.012 0.000 0.991 56 T CA 0.577 62.685 62.100 0.014 0.000 1.036 56 T CB 0.721 69.599 68.868 0.018 0.000 1.148 56 T HN 0.531 nan 8.240 nan 0.000 0.501 57 D N 2.571 122.977 120.400 0.009 0.000 2.708 57 D HA -0.184 4.456 4.640 0.000 0.000 0.236 57 D C 1.160 177.463 176.300 0.006 0.000 1.146 57 D CA 1.277 55.281 54.000 0.006 0.000 0.662 57 D CB -0.925 39.878 40.800 0.005 0.000 1.059 57 D HN 0.901 nan 8.370 nan 0.000 0.428 58 E N -0.492 119.713 120.200 0.008 0.000 2.118 58 E HA -0.188 4.162 4.350 0.000 0.000 0.195 58 E C 2.265 178.867 176.600 0.003 0.000 0.992 58 E CA 0.999 57.405 56.400 0.010 0.000 0.804 58 E CB -0.175 29.535 29.700 0.016 0.000 0.741 58 E HN 0.550 nan 8.360 nan 0.000 0.458 59 I N 1.777 122.345 120.570 -0.003 0.000 2.202 59 I HA -0.241 3.929 4.170 0.000 0.000 0.242 59 I C 2.009 178.120 176.117 -0.010 0.000 1.091 59 I CA 1.046 62.340 61.300 -0.011 0.000 1.368 59 I CB -0.365 37.623 38.000 -0.019 0.000 1.058 59 I HN 0.074 nan 8.210 nan 0.000 0.410 60 N N 0.740 119.436 118.700 -0.007 0.000 2.104 60 N HA -0.224 4.516 4.740 0.000 0.000 0.190 60 N C 1.881 177.389 175.510 -0.004 0.000 1.024 60 N CA 1.233 54.279 53.050 -0.006 0.000 0.853 60 N CB -0.463 38.022 38.487 -0.004 0.000 1.008 60 N HN 0.284 nan 8.380 nan 0.000 0.424 61 R N 0.335 120.836 120.500 0.001 0.000 2.081 61 R HA -0.075 4.265 4.340 0.000 0.000 0.235 61 R C 2.112 178.413 176.300 0.002 0.000 1.131 61 R CA 0.823 56.926 56.100 0.005 0.000 0.960 61 R CB -0.384 29.923 30.300 0.012 0.000 0.856 61 R HN 0.150 nan 8.270 nan 0.000 0.436 62 L N 0.124 121.346 121.223 -0.002 0.000 2.012 62 L HA -0.083 4.257 4.340 0.000 0.000 0.210 62 L C 2.163 179.021 176.870 -0.020 0.000 1.073 62 L CA 2.407 57.242 54.840 -0.009 0.000 0.748 62 L CB -0.921 41.133 42.059 -0.010 0.000 0.891 62 L HN 0.281 nan 8.230 nan 0.000 0.431 63 G N -1.077 107.711 108.800 -0.020 0.000 2.418 63 G HA2 -0.320 3.640 3.960 0.000 0.000 0.217 63 G HA3 -0.320 3.640 3.960 0.000 0.000 0.217 63 G C 1.734 176.620 174.900 -0.025 0.000 1.158 63 G CA 0.811 45.895 45.100 -0.026 0.000 0.771 63 G HN 0.451 nan 8.290 nan 0.000 0.545 64 R N 0.125 120.616 120.500 -0.014 0.000 2.070 64 R HA 0.048 4.388 4.340 0.000 0.000 0.233 64 R C 2.497 178.793 176.300 -0.007 0.000 1.137 64 R CA 1.307 57.402 56.100 -0.008 0.000 0.945 64 R CB -0.487 29.813 30.300 0.001 0.000 0.845 64 R HN 0.368 nan 8.270 nan 0.000 0.430 65 L N 0.624 121.844 121.223 -0.005 0.000 2.201 65 L HA -0.138 4.202 4.340 0.000 0.000 0.212 65 L C 2.147 178.997 176.870 -0.033 0.000 1.105 65 L CA 1.390 56.227 54.840 -0.004 0.000 0.775 65 L CB -0.617 41.444 42.059 0.004 0.000 0.913 65 L HN 0.364 nan 8.230 nan 0.000 0.440 66 D N 0.196 120.565 120.400 -0.052 0.000 2.123 66 D HA -0.205 4.435 4.640 0.000 0.000 0.196 66 D C 2.360 178.598 176.300 -0.103 0.000 0.992 66 D CA 1.288 55.232 54.000 -0.093 0.000 0.833 66 D CB 0.174 40.920 40.800 -0.090 0.000 0.954 66 D HN 0.020 nan 8.370 nan 0.000 0.455 67 R N 0.170 120.630 120.500 -0.067 0.000 2.062 67 R HA -0.022 4.318 4.340 0.000 0.000 0.231 67 R C 2.587 178.867 176.300 -0.032 0.000 1.136 67 R CA 1.138 57.206 56.100 -0.053 0.000 0.948 67 R CB -0.987 29.293 30.300 -0.032 0.000 0.845 67 R HN 0.202 nan 8.270 nan 0.000 0.430 68 S N 0.793 116.488 115.700 -0.007 0.000 2.365 68 S HA -0.125 4.345 4.470 0.000 0.000 0.225 68 S C 2.203 176.820 174.600 0.029 0.000 1.039 68 S CA 1.606 59.822 58.200 0.028 0.000 1.033 68 S CB -0.359 62.872 63.200 0.051 0.000 0.887 68 S HN 0.072 nan 8.310 nan 0.000 0.447 69 V N 1.638 121.545 119.914 -0.012 0.000 2.343 69 V HA -0.139 3.981 4.120 0.000 0.000 0.247 69 V C 2.658 178.712 176.094 -0.066 0.000 1.051 69 V CA 1.873 64.159 62.300 -0.023 0.000 1.036 69 V CB -1.593 30.157 31.823 -0.121 0.000 0.654 69 V HN 0.595 nan 8.190 nan 0.000 0.451 70 G N -0.088 108.626 108.800 -0.144 0.000 2.469 70 G HA2 -0.284 3.676 3.960 0.000 0.000 0.219 70 G HA3 -0.284 3.676 3.960 0.000 0.000 0.219 70 G C 1.663 176.574 174.900 0.019 0.000 1.150 70 G CA 1.055 46.081 45.100 -0.123 0.000 0.763 70 G HN 0.489 nan 8.290 nan 0.000 0.561 71 K N -0.578 119.842 120.400 0.032 0.000 2.057 71 K HA 0.036 4.356 4.320 0.000 0.000 0.207 71 K C 2.366 179.031 176.600 0.109 0.000 1.049 71 K CA 0.833 57.157 56.287 0.061 0.000 0.931 71 K CB -0.253 32.275 32.500 0.048 0.000 0.714 71 K HN 0.256 nan 8.250 nan 0.000 0.440 72 L N 0.171 121.482 121.223 0.147 0.000 2.093 72 L HA -0.084 4.256 4.340 0.000 0.000 0.208 72 L C 1.827 178.844 176.870 0.245 0.000 1.085 72 L CA 1.516 56.464 54.840 0.180 0.000 0.755 72 L CB -0.277 41.892 42.059 0.183 0.000 0.904 72 L HN 0.008 nan 8.230 nan 0.000 0.435 73 F N -0.283 119.678 119.950 0.018 0.000 2.171 73 F HA -0.118 4.409 4.527 0.000 0.000 0.300 73 F C 2.481 178.298 175.800 0.029 0.000 1.090 73 F CA 0.983 58.998 58.000 0.024 0.000 1.293 73 F CB -1.221 37.784 39.000 0.008 0.000 1.013 73 F HN 0.175 nan 8.300 nan 0.000 0.486 74 A N -0.396 122.543 122.820 0.199 0.000 1.898 74 A HA -0.123 4.197 4.320 0.000 0.000 0.216 74 A C 2.123 179.751 177.584 0.073 0.000 1.181 74 A CA 1.287 53.389 52.037 0.108 0.000 0.620 74 A CB -1.046 17.997 19.000 0.073 0.000 0.819 74 A HN 0.319 nan 8.150 nan 0.000 0.442 75 L N -0.097 121.173 121.223 0.079 0.000 2.083 75 L HA -0.068 4.272 4.340 0.000 0.000 0.209 75 L C 2.620 179.520 176.870 0.050 0.000 1.083 75 L CA 2.123 56.996 54.840 0.055 0.000 0.752 75 L CB -0.790 41.310 42.059 0.068 0.000 0.899 75 L HN 0.341 nan 8.230 nan 0.000 0.433 76 A N -1.115 121.752 122.820 0.079 0.000 1.902 76 A HA -0.159 4.161 4.320 0.000 0.000 0.217 76 A C 2.264 179.884 177.584 0.059 0.000 1.181 76 A CA 2.061 54.171 52.037 0.121 0.000 0.623 76 A CB -1.134 17.881 19.000 0.025 0.000 0.818 76 A HN 0.305 nan 8.150 nan 0.000 0.443 77 V N 1.025 120.957 119.914 0.031 0.000 2.295 77 V HA -0.267 3.853 4.120 0.000 0.000 0.246 77 V C 2.258 178.327 176.094 -0.041 0.000 1.049 77 V CA 2.197 64.500 62.300 0.006 0.000 1.024 77 V CB -0.959 30.886 31.823 0.035 0.000 0.648 77 V HN 0.561 nan 8.190 nan 0.000 0.447 78 N N 0.526 119.204 118.700 -0.038 0.000 2.244 78 N HA -0.101 4.639 4.740 0.000 0.000 0.183 78 N C 1.650 177.087 175.510 -0.122 0.000 1.016 78 N CA 1.084 54.098 53.050 -0.061 0.000 0.866 78 N CB -0.519 37.949 38.487 -0.032 0.000 0.980 78 N HN 0.458 nan 8.380 nan 0.000 0.430 79 N N 0.936 119.522 118.700 -0.189 0.000 2.216 79 N HA -0.069 4.671 4.740 0.000 0.000 0.183 79 N C 1.757 176.993 175.510 -0.456 0.000 1.017 79 N CA 0.231 53.058 53.050 -0.372 0.000 0.861 79 N CB -0.375 37.762 38.487 -0.583 0.000 0.986 79 N HN 0.169 nan 8.380 nan 0.000 0.428 80 L N 1.123 122.135 121.223 -0.351 0.000 2.046 80 L HA -0.030 4.310 4.340 0.000 0.000 0.208 80 L C 1.892 178.659 176.870 -0.172 0.000 1.077 80 L CA 1.343 56.054 54.840 -0.214 0.000 0.747 80 L CB -0.523 41.473 42.059 -0.105 0.000 0.896 80 L HN 0.098 nan 8.230 nan 0.000 0.432 81 L N -0.800 120.336 121.223 -0.144 0.000 2.141 81 L HA -0.127 4.213 4.340 0.000 0.000 0.209 81 L C 2.617 179.415 176.870 -0.119 0.000 1.094 81 L CA 0.964 55.729 54.840 -0.125 0.000 0.763 81 L CB -0.916 41.086 42.059 -0.095 0.000 0.908 81 L HN 0.368 nan 8.230 nan 0.000 0.437 82 A N 1.143 123.886 122.820 -0.128 0.000 1.968 82 A HA -0.187 4.133 4.320 0.000 0.000 0.217 82 A C 2.356 179.876 177.584 -0.107 0.000 1.169 82 A CA 1.666 53.639 52.037 -0.108 0.000 0.638 82 A CB -0.302 18.634 19.000 -0.106 0.000 0.812 82 A HN 0.521 nan 8.150 nan 0.000 0.446 83 K N -0.434 119.887 120.400 -0.132 0.000 2.186 83 K HA -0.061 4.259 4.320 0.000 0.000 0.202 83 K C 1.647 178.186 176.600 -0.101 0.000 1.052 83 K CA 1.695 57.918 56.287 -0.108 0.000 0.965 83 K CB -0.569 31.867 32.500 -0.106 0.000 0.746 83 K HN 0.412 nan 8.250 nan 0.000 0.457 84 T N -1.424 113.057 114.554 -0.122 0.000 3.035 84 T HA 0.126 4.476 4.350 0.000 0.000 0.259 84 T C 0.545 175.175 174.700 -0.116 0.000 1.078 84 T CA -0.115 61.907 62.100 -0.130 0.000 1.132 84 T CB -0.096 68.666 68.868 -0.176 0.000 0.900 84 T HN 0.204 nan 8.240 nan 0.000 0.480 85 K N 0.670 121.007 120.400 -0.106 0.000 3.160 85 K HA -0.133 4.187 4.320 0.000 0.000 0.280 85 K C -0.393 176.153 176.600 -0.091 0.000 1.154 85 K CA 0.374 56.611 56.287 -0.084 0.000 0.822 85 K CB -2.409 30.055 32.500 -0.061 0.000 1.239 85 K HN 0.544 nan 8.250 nan 0.000 0.489 86 I N 1.142 121.631 120.570 -0.134 0.000 2.395 86 I HA 0.178 4.348 4.170 0.000 0.000 0.289 86 I C 1.062 177.116 176.117 -0.104 0.000 1.023 86 I CA -0.293 60.916 61.300 -0.151 0.000 1.350 86 I CB 1.304 39.111 38.000 -0.323 0.000 1.409 86 I HN 0.179 nan 8.210 nan 0.000 0.507 87 A N 5.758 128.543 122.820 -0.059 0.000 2.462 87 A HA 0.126 4.446 4.320 0.000 0.000 0.243 87 A C 1.337 178.900 177.584 -0.034 0.000 1.076 87 A CA -0.377 51.638 52.037 -0.036 0.000 0.773 87 A CB 0.220 19.212 19.000 -0.012 0.000 1.010 87 A HN 0.943 nan 8.150 nan 0.000 0.493 88 K N 1.103 121.486 120.400 -0.029 0.000 2.160 88 K HA -0.188 4.132 4.320 0.000 0.000 0.206 88 K C 0.421 177.018 176.600 -0.005 0.000 1.047 88 K CA 2.038 58.313 56.287 -0.019 0.000 0.930 88 K CB -0.057 32.435 32.500 -0.012 0.000 0.720 88 K HN 0.614 nan 8.250 nan 0.000 0.450 89 D N 1.313 121.714 120.400 0.001 0.000 2.310 89 D HA -0.093 4.547 4.640 0.000 0.000 0.212 89 D C 1.227 177.540 176.300 0.021 0.000 0.965 89 D CA 0.875 54.880 54.000 0.009 0.000 0.879 89 D CB 0.119 40.924 40.800 0.008 0.000 0.921 89 D HN 0.524 nan 8.370 nan 0.000 0.510 90 E N 0.073 120.296 120.200 0.039 0.000 2.435 90 E HA -0.006 4.345 4.350 0.000 0.000 0.195 90 E C 0.460 177.137 176.600 0.128 0.000 1.029 90 E CA 0.100 56.563 56.400 0.105 0.000 0.865 90 E CB 0.671 30.480 29.700 0.181 0.000 0.833 90 E HN 0.179 nan 8.360 nan 0.000 0.510 91 I N 1.601 122.199 120.570 0.046 0.000 2.371 91 I HA 0.061 4.231 4.170 0.000 0.000 0.290 91 I C 1.476 177.555 176.117 -0.063 0.000 1.028 91 I CA 0.011 61.316 61.300 0.007 0.000 1.345 91 I CB 0.636 38.633 38.000 -0.006 0.000 1.407 91 I HN -0.001 nan 8.210 nan 0.000 0.501 92 I N 4.302 124.745 120.570 -0.212 0.000 2.193 92 I HA -0.020 4.150 4.170 0.000 0.000 0.240 92 I C 1.032 177.064 176.117 -0.141 0.000 1.084 92 I CA 1.083 62.222 61.300 -0.268 0.000 1.365 92 I CB 0.126 37.775 38.000 -0.584 0.000 1.064 92 I HN 0.743 nan 8.210 nan 0.000 0.410 93 A N -0.070 122.672 122.820 -0.130 0.000 2.604 93 A HA 0.662 4.982 4.320 0.000 0.000 0.295 93 A C -1.139 176.582 177.584 0.228 0.000 1.067 93 A CA -0.545 51.563 52.037 0.117 0.000 0.683 93 A CB 0.913 20.062 19.000 0.249 0.000 1.281 93 A HN 0.053 nan 8.150 nan 0.000 0.407 94 I N 1.305 122.002 120.570 0.212 0.000 2.396 94 I HA 0.483 4.653 4.170 0.000 0.000 0.292 94 I C 0.943 177.251 176.117 0.318 0.000 0.999 94 I CA -0.101 61.347 61.300 0.246 0.000 1.310 94 I CB 1.816 39.927 38.000 0.185 0.000 1.404 94 I HN 0.743 nan 8.210 nan 0.000 0.496 95 G N 3.711 112.743 108.800 0.387 0.000 2.468 95 G HA2 0.382 4.342 3.960 0.000 0.000 0.320 95 G HA3 0.382 4.342 3.960 0.000 0.000 0.320 95 G C -0.687 174.536 174.900 0.539 0.000 1.137 95 G CA -0.241 45.177 45.100 0.529 0.000 0.984 95 G HN 0.494 nan 8.290 nan 0.000 0.462 96 S N 1.524 117.544 115.700 0.534 0.000 2.433 96 S HA 0.220 4.690 4.470 0.000 0.000 0.310 96 S C 1.026 175.870 174.600 0.407 0.000 1.097 96 S CA -0.733 57.717 58.200 0.416 0.000 1.103 96 S CB 0.705 64.074 63.200 0.281 0.000 0.992 96 S HN 0.709 nan 8.310 nan 0.000 0.469 97 H N 4.759 123.873 119.070 0.073 0.000 2.428 97 H HA 0.127 4.683 4.556 0.000 0.000 0.296 97 H C 1.188 176.511 175.328 -0.008 0.000 1.062 97 H CA 1.845 57.798 56.048 -0.158 0.000 1.350 97 H CB -0.201 29.003 29.762 -0.930 0.000 1.403 97 H HN 0.990 nan 8.280 nan 0.000 0.533 98 G N 0.494 109.311 108.800 0.028 0.000 2.632 98 G HA2 -0.297 3.663 3.960 0.000 0.000 0.224 98 G HA3 -0.297 3.663 3.960 0.000 0.000 0.224 98 G C -0.676 174.266 174.900 0.069 0.000 1.341 98 G CA 0.181 45.117 45.100 -0.274 0.000 0.880 98 G HN 0.648 nan 8.290 nan 0.000 0.566 99 Q N -0.405 119.355 119.800 -0.066 0.000 2.325 99 Q HA 0.643 4.983 4.340 0.000 0.000 0.270 99 Q C 0.035 176.063 176.000 0.048 0.000 1.020 99 Q CA -0.105 55.756 55.803 0.098 0.000 0.785 99 Q CB 1.291 30.078 28.738 0.081 0.000 1.259 99 Q HN 0.749 nan 8.270 nan 0.000 0.452 100 T N 3.522 118.160 114.554 0.140 0.000 2.888 100 T HA 0.133 4.483 4.350 0.000 0.000 0.301 100 T C 0.643 175.396 174.700 0.089 0.000 1.001 100 T CA -0.178 61.991 62.100 0.116 0.000 1.147 100 T CB 0.966 69.933 68.868 0.165 0.000 0.931 100 T HN 0.547 nan 8.240 nan 0.000 0.541 101 V N 3.482 123.447 119.914 0.085 0.000 2.908 101 V HA 0.272 4.392 4.120 0.000 0.000 0.240 101 V C 0.842 177.005 176.094 0.115 0.000 1.117 101 V CA 0.728 63.078 62.300 0.084 0.000 1.133 101 V CB 0.127 31.989 31.823 0.065 0.000 0.857 101 V HN 0.603 nan 8.190 nan 0.000 0.478 102 R N -0.407 120.187 120.500 0.156 0.000 2.651 102 R HA 0.606 4.946 4.340 0.000 0.000 0.278 102 R C -1.331 175.063 176.300 0.157 0.000 1.010 102 R CA -0.517 55.684 56.100 0.168 0.000 0.896 102 R CB 2.015 32.498 30.300 0.305 0.000 1.211 102 R HN 0.441 nan 8.270 nan 0.000 0.456 106 N N 0.643 119.245 118.700 -0.165 0.000 2.236 106 N HA 0.197 4.937 4.740 0.000 0.000 0.196 106 N C 0.762 176.234 175.510 -0.062 0.000 1.114 106 N CA 0.102 53.102 53.050 -0.083 0.000 0.859 106 N CB 1.086 39.541 38.487 -0.053 0.000 0.982 106 N HN 0.337 nan 8.380 nan 0.000 0.493 107 L N 1.546 122.722 121.223 -0.078 0.000 2.492 107 L HA -0.078 4.262 4.340 0.000 0.000 0.280 107 L C 2.062 178.941 176.870 0.014 0.000 1.240 107 L CA -0.093 54.739 54.840 -0.012 0.000 0.831 107 L CB 0.593 42.674 42.059 0.037 0.000 1.100 107 L HN 0.249 nan 8.230 nan 0.000 0.505 108 E N 0.922 121.140 120.200 0.029 0.000 2.026 108 E HA -0.182 4.168 4.350 0.000 0.000 0.206 108 E C 0.304 176.930 176.600 0.043 0.000 1.028 108 E CA 1.174 57.592 56.400 0.030 0.000 0.845 108 E CB -0.346 29.371 29.700 0.029 0.000 0.772 108 E HN 0.323 nan 8.360 nan 0.000 0.462 109 V N 2.372 122.327 119.914 0.068 0.000 2.326 109 V HA 0.294 4.414 4.120 0.000 0.000 0.249 109 V C 0.753 176.935 176.094 0.146 0.000 1.114 109 V CA -0.115 62.240 62.300 0.092 0.000 1.028 109 V CB 0.026 31.901 31.823 0.088 0.000 1.170 109 V HN 0.405 nan 8.190 nan 0.000 0.494 110 G N 4.518 113.374 108.800 0.093 0.000 2.491 110 G HA2 0.496 4.456 3.960 0.000 0.000 0.242 110 G HA3 0.496 4.456 3.960 0.000 0.000 0.242 110 G C -0.768 174.226 174.900 0.156 0.000 1.266 110 G CA -0.072 45.057 45.100 0.048 0.000 0.844 110 G HN 0.832 nan 8.290 nan 0.000 0.571 111 F N -0.944 118.992 119.950 -0.023 0.000 2.713 111 F HA 0.793 5.320 4.527 -0.000 0.000 0.311 111 F C -0.801 174.999 175.800 -0.001 0.000 1.141 111 F CA -1.256 56.744 58.000 0.000 0.000 0.939 111 F CB 1.797 40.802 39.000 0.008 0.000 1.325 111 F HN 0.623 nan 8.300 nan 0.000 0.453 112 T N 2.254 116.952 114.554 0.241 0.000 2.909 112 T HA 0.696 5.046 4.350 0.000 0.000 0.299 112 T C -2.395 172.495 174.700 0.317 0.000 1.073 112 T CA -0.496 61.737 62.100 0.221 0.000 0.999 112 T CB 1.520 70.567 68.868 0.297 0.000 1.098 112 T HN 0.973 nan 8.240 nan 0.000 0.477 113 L N 4.255 125.641 121.223 0.271 0.000 2.457 113 L HA 0.670 5.010 4.340 0.000 0.000 0.266 113 L C -1.313 175.612 176.870 0.091 0.000 0.979 113 L CA -0.245 54.709 54.840 0.190 0.000 0.857 113 L CB 1.616 43.818 42.059 0.237 0.000 1.213 113 L HN 0.568 nan 8.230 nan 0.000 0.418 114 Q N 4.599 124.402 119.800 0.005 0.000 2.316 114 Q HA 0.723 5.063 4.340 0.000 0.000 0.264 114 Q C -0.422 175.505 176.000 -0.122 0.000 0.987 114 Q CA -0.216 55.530 55.803 -0.095 0.000 0.852 114 Q CB 2.362 30.948 28.738 -0.253 0.000 1.287 114 Q HN 0.737 nan 8.270 nan 0.000 0.448 115 I N -2.121 118.367 120.570 -0.137 0.000 3.100 115 I HA 0.995 5.165 4.170 0.000 0.000 0.312 115 I C 0.104 176.034 176.117 -0.311 0.000 1.063 115 I CA -1.115 60.079 61.300 -0.176 0.000 1.031 115 I CB 1.949 39.880 38.000 -0.115 0.000 1.243 115 I HN 0.568 nan 8.210 nan 0.000 0.483 116 G N 2.219 110.814 108.800 -0.341 0.000 2.499 116 G HA2 -0.103 3.857 3.960 0.000 0.000 0.474 116 G HA3 -0.103 3.857 3.960 0.000 0.000 0.474 116 G C -0.938 173.709 174.900 -0.422 0.000 1.044 116 G CA -0.435 44.353 45.100 -0.520 0.000 1.316 116 G HN 1.092 nan 8.290 nan 0.000 0.617 117 D N 2.726 122.944 120.400 -0.303 0.000 2.426 117 D HA 0.258 4.898 4.640 0.000 0.000 0.261 117 D C -0.025 176.066 176.300 -0.349 0.000 1.245 117 D CA -1.269 52.554 54.000 -0.294 0.000 0.917 117 D CB 1.164 41.844 40.800 -0.200 0.000 1.123 117 D HN 0.176 nan 8.370 nan 0.000 0.508 118 P HA -0.112 nan 4.420 nan 0.000 0.223 118 P C 0.796 177.823 177.300 -0.456 0.000 1.151 118 P CA 0.742 63.491 63.100 -0.584 0.000 0.787 118 P CB 0.210 31.277 31.700 -1.056 0.000 0.788 119 N N -0.620 117.815 118.700 -0.442 0.000 2.188 119 N HA -0.077 4.663 4.740 0.000 0.000 0.184 119 N C 1.576 177.034 175.510 -0.087 0.000 1.018 119 N CA 1.504 54.464 53.050 -0.150 0.000 0.858 119 N CB -0.697 37.742 38.487 -0.079 0.000 0.989 119 N HN 0.171 nan 8.380 nan 0.000 0.426 120 T N 2.057 116.543 114.554 -0.114 0.000 2.812 120 T HA 0.055 4.405 4.350 0.000 0.000 0.264 120 T C 2.190 176.865 174.700 -0.040 0.000 1.042 120 T CA 0.538 62.598 62.100 -0.066 0.000 1.140 120 T CB -0.072 68.753 68.868 -0.073 0.000 0.870 120 T HN 0.153 nan 8.240 nan 0.000 0.445 121 I N 1.580 122.115 120.570 -0.058 0.000 2.179 121 I HA -0.183 3.987 4.170 0.000 0.000 0.242 121 I C 2.947 179.072 176.117 0.014 0.000 1.088 121 I CA 1.200 62.500 61.300 -0.001 0.000 1.357 121 I CB -0.558 37.450 38.000 0.015 0.000 1.051 121 I HN 0.176 nan 8.210 nan 0.000 0.409 122 A N 0.501 123.322 122.820 0.001 0.000 1.877 122 A HA -0.207 4.113 4.320 0.000 0.000 0.216 122 A C 2.417 180.017 177.584 0.028 0.000 1.186 122 A CA 2.532 54.589 52.037 0.033 0.000 0.620 122 A CB -1.169 17.869 19.000 0.062 0.000 0.822 122 A HN 0.390 nan 8.150 nan 0.000 0.443 123 T N 0.166 114.730 114.554 0.016 0.000 2.684 123 T HA -0.136 4.214 4.350 0.000 0.000 0.267 123 T C 1.581 176.289 174.700 0.014 0.000 1.036 123 T CA 1.717 63.825 62.100 0.015 0.000 1.148 123 T CB -0.263 68.609 68.868 0.007 0.000 0.863 123 T HN 0.660 nan 8.240 nan 0.000 0.436 124 E N 0.370 120.578 120.200 0.014 0.000 2.478 124 E HA 0.004 4.354 4.350 0.000 0.000 0.194 124 E C 2.116 178.728 176.600 0.019 0.000 1.045 124 E CA 0.948 57.358 56.400 0.016 0.000 0.868 124 E CB 0.109 29.820 29.700 0.019 0.000 0.885 124 E HN 0.640 nan 8.360 nan 0.000 0.505 125 T N -3.988 110.580 114.554 0.023 0.000 3.000 125 T HA 0.236 4.586 4.350 0.000 0.000 0.248 125 T C 1.647 176.357 174.700 0.016 0.000 1.034 125 T CA 0.460 62.572 62.100 0.021 0.000 1.060 125 T CB 0.655 69.544 68.868 0.034 0.000 0.983 125 T HN 0.161 nan 8.240 nan 0.000 0.482 126 G N 1.662 110.474 108.800 0.019 0.000 2.148 126 G HA2 -0.191 3.769 3.960 0.000 0.000 0.254 126 G HA3 -0.191 3.769 3.960 0.000 0.000 0.254 126 G C -0.060 174.853 174.900 0.022 0.000 0.981 126 G CA 0.352 45.463 45.100 0.018 0.000 0.670 126 G HN 0.694 nan 8.290 nan 0.000 0.528 127 I N 0.502 121.090 120.570 0.030 0.000 2.474 127 I HA 0.338 4.508 4.170 0.000 0.000 0.294 127 I C -0.426 175.722 176.117 0.052 0.000 1.005 127 I CA -1.195 60.126 61.300 0.036 0.000 1.113 127 I CB 1.556 39.578 38.000 0.037 0.000 1.289 127 I HN -0.162 nan 8.210 nan 0.000 0.436 128 D N 4.379 124.811 120.400 0.054 0.000 2.443 128 D HA 0.198 4.838 4.640 0.000 0.000 0.239 128 D C -0.490 175.865 176.300 0.092 0.000 1.136 128 D CA 0.362 54.404 54.000 0.069 0.000 0.879 128 D CB 1.121 41.956 40.800 0.058 0.000 1.195 128 D HN 0.026 nan 8.370 nan 0.000 0.443 129 V N 3.745 123.725 119.914 0.109 0.000 2.448 129 V HA 0.326 4.446 4.120 0.000 0.000 0.295 129 V C -0.103 176.056 176.094 0.109 0.000 1.025 129 V CA -0.869 61.504 62.300 0.122 0.000 0.859 129 V CB 1.629 33.504 31.823 0.086 0.000 0.988 129 V HN 0.325 nan 8.190 nan 0.000 0.431 130 I N 4.106 124.723 120.570 0.078 0.000 2.354 130 I HA 0.861 5.031 4.170 0.000 0.000 0.292 130 I C 0.322 176.361 176.117 -0.130 0.000 0.989 130 I CA -0.163 61.086 61.300 -0.086 0.000 1.188 130 I CB 1.126 39.098 38.000 -0.047 0.000 1.342 130 I HN 0.769 nan 8.210 nan 0.000 0.457 131 A N 4.276 126.859 122.820 -0.394 0.000 2.567 131 A HA 0.687 5.007 4.320 0.000 0.000 0.289 131 A C -0.375 176.832 177.584 -0.627 0.000 1.177 131 A CA -0.439 51.335 52.037 -0.439 0.000 0.694 131 A CB 0.978 19.856 19.000 -0.204 0.000 1.292 131 A HN 0.684 nan 8.150 nan 0.000 0.425 132 D N -1.839 118.351 120.400 -0.350 0.000 2.718 132 D HA -0.153 4.487 4.640 0.000 0.000 0.242 132 D C -0.235 175.987 176.300 -0.130 0.000 1.123 132 D CA 1.099 54.997 54.000 -0.170 0.000 0.690 132 D CB -1.629 39.132 40.800 -0.066 0.000 1.059 132 D HN 0.434 nan 8.370 nan 0.000 0.429 133 F N -0.102 119.955 119.950 0.179 0.000 2.512 133 F HA 0.173 4.700 4.527 -0.000 0.000 0.296 133 F C 2.460 178.376 175.800 0.194 0.000 1.110 133 F CA 0.538 58.667 58.000 0.215 0.000 1.446 133 F CB -0.089 39.092 39.000 0.302 0.000 1.092 133 F HN 0.091 nan 8.300 nan 0.000 0.554 134 R N -0.019 120.692 120.500 0.352 0.000 2.119 134 R HA 0.010 4.350 4.340 0.000 0.000 0.222 134 R C 2.133 178.565 176.300 0.220 0.000 1.088 134 R CA 0.657 56.932 56.100 0.292 0.000 0.984 134 R CB -0.273 30.203 30.300 0.293 0.000 0.884 134 R HN 0.203 nan 8.270 nan 0.000 0.447 135 R N 0.829 121.437 120.500 0.179 0.000 2.120 135 R HA -0.126 4.214 4.340 0.000 0.000 0.234 135 R C 2.138 178.516 176.300 0.130 0.000 1.123 135 R CA 1.246 57.433 56.100 0.145 0.000 0.975 135 R CB -0.096 30.274 30.300 0.117 0.000 0.866 135 R HN -0.066 nan 8.270 nan 0.000 0.446 136 K N 1.219 121.700 120.400 0.135 0.000 2.057 136 K HA -0.192 4.128 4.320 0.000 0.000 0.207 136 K C 1.452 178.123 176.600 0.117 0.000 1.049 136 K CA 2.085 58.444 56.287 0.119 0.000 0.931 136 K CB -0.402 32.175 32.500 0.128 0.000 0.714 136 K HN 0.054 nan 8.250 nan 0.000 0.440 137 D N -0.332 120.152 120.400 0.139 0.000 2.104 137 D HA -0.128 4.512 4.640 0.000 0.000 0.194 137 D C 1.808 178.176 176.300 0.114 0.000 0.994 137 D CA 1.625 55.703 54.000 0.129 0.000 0.830 137 D CB -0.000 40.890 40.800 0.151 0.000 0.959 137 D HN 0.296 nan 8.370 nan 0.000 0.452 138 I N 0.455 121.098 120.570 0.121 0.000 2.208 138 I HA -0.268 3.902 4.170 0.000 0.000 0.245 138 I C 2.411 178.579 176.117 0.085 0.000 1.097 138 I CA 1.058 62.418 61.300 0.100 0.000 1.363 138 I CB -0.404 37.660 38.000 0.108 0.000 1.051 138 I HN 0.091 nan 8.210 nan 0.000 0.413 139 A N 0.528 123.401 122.820 0.087 0.000 2.019 139 A HA -0.105 4.215 4.320 0.000 0.000 0.219 139 A C 2.046 179.666 177.584 0.061 0.000 1.164 139 A CA 1.275 53.355 52.037 0.071 0.000 0.644 139 A CB -0.583 18.458 19.000 0.069 0.000 0.805 139 A HN 0.465 nan 8.150 nan 0.000 0.449 140 L N -1.447 119.815 121.223 0.065 0.000 2.653 140 L HA 0.301 4.641 4.340 0.000 0.000 0.231 140 L C 1.450 178.353 176.870 0.055 0.000 1.153 140 L CA 0.482 55.356 54.840 0.057 0.000 0.933 140 L CB 0.127 42.222 42.059 0.060 0.000 1.175 140 L HN 0.526 nan 8.230 nan 0.000 0.473 141 G N -0.397 108.437 108.800 0.057 0.000 2.157 141 G HA2 -0.206 3.754 3.960 0.000 0.000 0.239 141 G HA3 -0.206 3.754 3.960 0.000 0.000 0.239 141 G C 0.486 175.419 174.900 0.056 0.000 0.982 141 G CA -0.216 44.914 45.100 0.050 0.000 0.650 141 G HN 0.500 nan 8.290 nan 0.000 0.527 142 G N -1.346 107.497 108.800 0.072 0.000 2.535 142 G HA2 0.512 4.472 3.960 0.000 0.000 0.303 142 G HA3 0.512 4.472 3.960 0.000 0.000 0.303 142 G C 0.746 175.701 174.900 0.092 0.000 1.237 142 G CA 0.068 45.220 45.100 0.087 0.000 0.986 142 G HN 0.113 nan 8.290 nan 0.000 0.494 143 Q N -0.468 119.403 119.800 0.118 0.000 2.435 143 Q HA 0.066 4.406 4.340 0.000 0.000 0.207 143 Q C 1.942 178.067 176.000 0.208 0.000 0.956 143 Q CA 0.877 56.762 55.803 0.137 0.000 0.917 143 Q CB 0.416 29.260 28.738 0.178 0.000 0.997 143 Q HN 1.138 nan 8.270 nan 0.000 0.497 144 G N 0.638 109.562 108.800 0.207 0.000 2.189 144 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 144 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 144 G C 0.237 175.298 174.900 0.269 0.000 0.975 144 G CA 0.587 45.844 45.100 0.262 0.000 0.644 144 G HN 0.742 nan 8.290 nan 0.000 0.537 145 A N -1.002 121.960 122.820 0.236 0.000 2.583 145 A HA 0.783 5.103 4.320 0.000 0.000 0.292 145 A C -2.999 174.692 177.584 0.178 0.000 1.045 145 A CA -0.396 51.750 52.037 0.181 0.000 0.672 145 A CB 1.291 20.366 19.000 0.125 0.000 1.283 145 A HN 0.303 nan 8.150 nan 0.000 0.419 146 P HA 0.407 nan 4.420 nan 0.000 0.274 146 P C 0.179 177.511 177.300 0.053 0.000 1.231 146 P CA -0.172 62.975 63.100 0.078 0.000 0.790 146 P CB 0.731 32.457 31.700 0.044 0.000 0.951 147 L N 1.592 122.822 121.223 0.011 0.000 2.590 147 L HA 0.006 4.346 4.340 0.000 0.000 0.227 147 L C 2.272 179.040 176.870 -0.170 0.000 1.099 147 L CA 0.265 55.078 54.840 -0.045 0.000 0.872 147 L CB -0.344 41.683 42.059 -0.053 0.000 1.088 147 L HN 0.179 nan 8.230 nan 0.000 0.479 148 V N -2.647 117.123 119.914 -0.240 0.000 2.720 148 V HA -0.048 4.072 4.120 0.000 0.000 0.256 148 V C -0.456 175.331 176.094 -0.511 0.000 1.082 148 V CA 0.770 62.804 62.300 -0.443 0.000 1.101 148 V CB -1.881 29.588 31.823 -0.588 0.000 0.693 148 V HN 0.251 nan 8.190 nan 0.000 0.479 149 P HA -0.131 nan 4.420 nan 0.000 0.216 149 P C 1.978 179.187 177.300 -0.153 0.000 1.153 149 P CA 2.542 65.558 63.100 -0.141 0.000 0.858 149 P CB -0.237 31.450 31.700 -0.021 0.000 0.789 150 A N -1.221 121.511 122.820 -0.147 0.000 1.933 150 A HA -0.190 4.130 4.320 0.000 0.000 0.218 150 A C 2.126 179.426 177.584 -0.472 0.000 1.175 150 A CA 1.319 53.279 52.037 -0.128 0.000 0.628 150 A CB -1.848 17.224 19.000 0.121 0.000 0.814 150 A HN 0.207 nan 8.150 nan 0.000 0.444 151 F N 0.265 119.580 119.950 -1.059 0.000 2.134 151 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 151 F C 2.265 177.601 175.800 -0.772 0.000 1.097 151 F CA 2.273 59.339 58.000 -1.557 0.000 1.264 151 F CB -0.397 37.701 39.000 -1.503 0.000 1.001 151 F HN 0.428 nan 8.300 nan 0.000 0.479 152 H N -1.241 117.430 119.070 -0.666 0.000 2.387 152 H HA -0.203 4.353 4.556 0.000 0.000 0.299 152 H C 2.126 177.199 175.328 -0.425 0.000 1.090 152 H CA 1.034 56.781 56.048 -0.502 0.000 1.332 152 H CB -0.095 29.628 29.762 -0.065 0.000 1.386 152 H HN 0.318 nan 8.280 nan 0.000 0.516 153 Q N 1.328 121.002 119.800 -0.209 0.000 2.046 153 Q HA -0.194 4.146 4.340 0.000 0.000 0.200 153 Q C 2.284 178.143 176.000 -0.236 0.000 0.975 153 Q CA 1.774 57.477 55.803 -0.166 0.000 0.836 153 Q CB -0.130 28.546 28.738 -0.104 0.000 0.896 153 Q HN 0.477 nan 8.270 nan 0.000 0.428 154 Q N -1.310 118.298 119.800 -0.320 0.000 2.167 154 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 154 Q C 1.166 176.934 176.000 -0.386 0.000 0.970 154 Q CA 1.796 57.438 55.803 -0.268 0.000 0.855 154 Q CB 0.114 28.752 28.738 -0.167 0.000 0.911 154 Q HN 0.490 nan 8.270 nan 0.000 0.438 155 T N -0.816 113.313 114.554 -0.709 0.000 3.033 155 T HA 0.070 4.420 4.350 0.000 0.000 0.248 155 T C 0.540 174.824 174.700 -0.693 0.000 1.040 155 T CA 0.465 62.039 62.100 -0.876 0.000 1.133 155 T CB 0.094 67.984 68.868 -1.630 0.000 0.895 155 T HN 0.191 nan 8.240 nan 0.000 0.465 156 F N 1.198 120.921 119.950 -0.378 0.000 2.746 156 F HA 0.593 5.120 4.527 -0.000 0.000 0.313 156 F C 1.172 176.792 175.800 -0.299 0.000 1.095 156 F CA -1.628 56.149 58.000 -0.371 0.000 1.224 156 F CB -0.364 38.372 39.000 -0.440 0.000 1.060 156 F HN -0.016 nan 8.300 nan 0.000 0.584 157 A N 0.907 123.678 122.820 -0.082 0.000 2.477 157 A HA 0.413 4.733 4.320 0.000 0.000 0.246 157 A C -0.036 177.499 177.584 -0.081 0.000 1.078 157 A CA 0.051 52.038 52.037 -0.085 0.000 0.770 157 A CB 0.189 19.132 19.000 -0.095 0.000 1.011 157 A HN 0.275 nan 8.150 nan 0.000 0.494 158 Q N 2.383 122.141 119.800 -0.070 0.000 2.290 158 Q HA 0.476 4.816 4.340 0.000 0.000 0.269 158 Q C -1.139 174.832 176.000 -0.047 0.000 1.016 158 Q CA -0.475 55.295 55.803 -0.055 0.000 0.754 158 Q CB 1.468 30.178 28.738 -0.047 0.000 1.247 158 Q HN 0.576 nan 8.270 nan 0.000 0.451 159 V N 4.342 124.230 119.914 -0.042 0.000 2.625 159 V HA 0.224 4.344 4.120 0.000 0.000 0.305 159 V C 1.531 177.607 176.094 -0.029 0.000 1.055 159 V CA 2.006 64.284 62.300 -0.036 0.000 1.209 159 V CB 0.148 31.953 31.823 -0.029 0.000 0.877 159 V HN 1.110 nan 8.190 nan 0.000 0.489 160 G N 4.184 112.966 108.800 -0.030 0.000 2.194 160 G HA2 -0.213 3.747 3.960 0.000 0.000 0.236 160 G HA3 -0.213 3.747 3.960 0.000 0.000 0.236 160 G C 0.040 174.925 174.900 -0.025 0.000 0.987 160 G CA 0.185 45.271 45.100 -0.024 0.000 0.635 160 G HN 0.636 nan 8.290 nan 0.000 0.520 161 K N 0.598 120.980 120.400 -0.030 0.000 2.397 161 K HA 0.479 4.799 4.320 0.000 0.000 0.253 161 K C -0.322 176.253 176.600 -0.041 0.000 0.932 161 K CA -0.750 55.522 56.287 -0.024 0.000 0.795 161 K CB 1.479 33.980 32.500 0.002 0.000 1.159 161 K HN 0.098 nan 8.250 nan 0.000 0.424 162 K N 3.756 124.135 120.400 -0.035 0.000 2.285 162 K HA 0.270 4.590 4.320 0.000 0.000 0.286 162 K C -0.390 176.227 176.600 0.029 0.000 1.072 162 K CA -0.233 56.031 56.287 -0.038 0.000 0.913 162 K CB 0.973 33.504 32.500 0.052 0.000 1.067 162 K HN 0.309 nan 8.250 nan 0.000 0.479 163 R N 1.775 122.279 120.500 0.007 0.000 2.599 163 R HA 0.405 4.745 4.340 0.000 0.000 0.295 163 R C -0.767 175.625 176.300 0.154 0.000 0.963 163 R CA -0.917 55.263 56.100 0.132 0.000 0.883 163 R CB 1.859 32.236 30.300 0.129 0.000 1.171 163 R HN 0.235 nan 8.270 nan 0.000 0.450 164 V N 4.584 124.634 119.914 0.227 0.000 2.435 164 V HA 0.383 4.503 4.120 0.000 0.000 0.290 164 V C 0.005 176.132 176.094 0.054 0.000 1.030 164 V CA -0.835 61.554 62.300 0.148 0.000 0.881 164 V CB 1.659 33.542 31.823 0.099 0.000 0.983 164 V HN 0.560 nan 8.190 nan 0.000 0.445 165 I N 5.894 126.446 120.570 -0.030 0.000 2.321 165 I HA 0.415 4.585 4.170 0.000 0.000 0.291 165 I C -0.422 175.630 176.117 -0.109 0.000 0.998 165 I CA -0.604 60.596 61.300 -0.166 0.000 1.227 165 I CB 1.269 39.000 38.000 -0.449 0.000 1.368 165 I HN 0.454 nan 8.210 nan 0.000 0.466 166 L N 7.285 128.436 121.223 -0.120 0.000 2.319 166 L HA 0.499 4.839 4.340 0.000 0.000 0.281 166 L C -0.489 176.337 176.870 -0.073 0.000 1.005 166 L CA -0.199 54.582 54.840 -0.099 0.000 0.828 166 L CB 1.188 43.169 42.059 -0.130 0.000 1.227 166 L HN 0.580 nan 8.230 nan 0.000 0.415 167 N N 5.209 123.898 118.700 -0.019 0.000 2.426 167 N HA 0.394 5.134 4.740 0.000 0.000 0.257 167 N C -1.024 174.471 175.510 -0.026 0.000 1.002 167 N CA -0.257 52.794 53.050 0.002 0.000 0.942 167 N CB 0.606 39.136 38.487 0.071 0.000 1.112 167 N HN 0.639 nan 8.380 nan 0.000 0.499 168 I N 3.233 123.779 120.570 -0.041 0.000 2.317 168 I HA 0.354 4.524 4.170 0.000 0.000 0.286 168 I C 1.172 177.271 176.117 -0.029 0.000 1.119 168 I CA -0.592 60.683 61.300 -0.041 0.000 1.228 168 I CB 0.493 38.461 38.000 -0.053 0.000 1.476 168 I HN 0.559 nan 8.210 nan 0.000 0.514 169 G N 2.703 111.489 108.800 -0.024 0.000 2.695 169 G HA2 0.391 4.351 3.960 0.000 0.000 0.213 169 G HA3 0.391 4.351 3.960 0.000 0.000 0.213 169 G C 1.080 175.968 174.900 -0.020 0.000 1.406 169 G CA 0.123 45.208 45.100 -0.026 0.000 1.049 169 G HN 0.510 nan 8.290 nan 0.000 0.573 170 G N -0.586 108.205 108.800 -0.016 0.000 2.529 170 G HA2 -0.102 3.858 3.960 0.000 0.000 0.219 170 G HA3 -0.102 3.858 3.960 0.000 0.000 0.219 170 G C 0.701 175.597 174.900 -0.007 0.000 1.177 170 G CA 0.769 45.868 45.100 -0.000 0.000 0.773 170 G HN 0.299 nan 8.290 nan 0.000 0.573 171 I N 0.931 121.493 120.570 -0.013 0.000 2.460 171 I HA 0.580 4.750 4.170 0.000 0.000 0.298 171 I C 0.375 176.481 176.117 -0.018 0.000 0.989 171 I CA -1.367 59.921 61.300 -0.021 0.000 1.173 171 I CB 1.291 39.287 38.000 -0.006 0.000 1.338 171 I HN 0.148 nan 8.210 nan 0.000 0.456 172 A N 7.013 129.820 122.820 -0.022 0.000 2.306 172 A HA 0.655 4.976 4.320 0.000 0.000 0.314 172 A C -0.241 177.336 177.584 -0.012 0.000 1.164 172 A CA -0.619 51.404 52.037 -0.024 0.000 0.822 172 A CB 0.507 19.483 19.000 -0.040 0.000 1.130 172 A HN 0.845 nan 8.150 nan 0.000 0.496 173 N N 1.544 120.224 118.700 -0.034 0.000 2.235 173 N HA 0.568 5.308 4.740 0.000 0.000 0.293 173 N C -1.010 174.424 175.510 -0.128 0.000 1.083 173 N CA -0.502 52.508 53.050 -0.068 0.000 0.801 173 N CB 1.932 40.414 38.487 -0.009 0.000 1.559 173 N HN 0.702 nan 8.380 nan 0.000 0.472 174 I N -1.854 118.542 120.570 -0.289 0.000 2.562 174 I HA 0.590 4.760 4.170 0.000 0.000 0.301 174 I C -0.802 175.200 176.117 -0.190 0.000 1.003 174 I CA -0.623 60.518 61.300 -0.264 0.000 1.127 174 I CB 2.121 39.897 38.000 -0.373 0.000 1.304 174 I HN 0.275 nan 8.210 nan 0.000 0.446 175 T N 3.975 118.515 114.554 -0.023 0.000 2.792 175 T HA 0.334 4.684 4.350 0.000 0.000 0.280 175 T C -1.116 173.643 174.700 0.099 0.000 0.990 175 T CA -0.190 61.951 62.100 0.070 0.000 0.960 175 T CB 0.820 69.841 68.868 0.255 0.000 0.939 175 T HN 0.486 nan 8.240 nan 0.000 0.439 176 Y N 4.097 124.372 120.300 -0.041 0.000 2.335 176 Y HA 0.561 5.111 4.550 0.000 0.000 0.339 176 Y C -1.016 174.893 175.900 0.014 0.000 0.987 176 Y CA -1.584 56.508 58.100 -0.012 0.000 1.140 176 Y CB 0.461 38.910 38.460 -0.018 0.000 1.173 176 Y HN 0.514 nan 8.280 nan 0.000 0.486 177 L N 9.959 130.946 121.223 -0.394 0.000 2.356 177 L HA 0.357 4.697 4.340 0.000 0.000 0.264 177 L C -1.698 174.824 176.870 -0.579 0.000 1.029 177 L CA -1.692 52.930 54.840 -0.364 0.000 0.897 177 L CB 1.416 43.383 42.059 -0.154 0.000 1.256 177 L HN 0.519 nan 8.230 nan 0.000 0.444 178 P HA -0.124 nan 4.420 nan 0.000 0.220 178 P C 1.044 178.207 177.300 -0.229 0.000 1.148 178 P CA 1.353 64.118 63.100 -0.558 0.000 0.803 178 P CB 0.422 31.946 31.700 -0.293 0.000 0.782 179 G N 0.655 109.352 108.800 -0.171 0.000 2.171 179 G HA2 -0.203 3.757 3.960 0.000 0.000 0.238 179 G HA3 -0.203 3.757 3.960 0.000 0.000 0.238 179 G C -0.069 174.794 174.900 -0.062 0.000 1.039 179 G CA 0.256 45.297 45.100 -0.099 0.000 0.759 179 G HN 0.654 nan 8.290 nan 0.000 0.501 180 N N -2.596 116.070 118.700 -0.058 0.000 3.587 180 N HA 0.552 5.292 4.740 0.000 0.000 0.339 180 N C 1.236 176.732 175.510 -0.024 0.000 1.636 180 N CA 0.302 53.334 53.050 -0.030 0.000 0.788 180 N CB -0.306 38.172 38.487 -0.015 0.000 2.205 180 N HN 0.412 nan 8.380 nan 0.000 0.600 181 S N -2.015 113.680 115.700 -0.008 0.000 2.515 181 S HA -0.041 4.429 4.470 0.000 0.000 0.231 181 S C 0.535 175.139 174.600 0.008 0.000 0.987 181 S CA 0.238 58.438 58.200 -0.001 0.000 0.936 181 S CB -0.544 62.660 63.200 0.005 0.000 0.766 181 S HN 0.644 nan 8.310 nan 0.000 0.528 182 E N 2.422 122.628 120.200 0.011 0.000 2.390 182 E HA 0.059 4.409 4.350 0.000 0.000 0.261 182 E C 0.256 176.873 176.600 0.028 0.000 1.076 182 E CA -0.450 55.969 56.400 0.032 0.000 0.905 182 E CB 0.484 30.214 29.700 0.050 0.000 0.984 182 E HN 0.598 nan 8.360 nan 0.000 0.427 183 E N 1.795 122.029 120.200 0.058 0.000 2.383 183 E HA 0.114 4.465 4.350 0.000 0.000 0.264 183 E C -0.634 176.006 176.600 0.066 0.000 1.050 183 E CA -0.664 55.772 56.400 0.060 0.000 0.896 183 E CB 1.034 30.781 29.700 0.078 0.000 0.982 183 E HN 0.139 nan 8.360 nan 0.000 0.424 184 V N 4.172 124.112 119.914 0.044 0.000 2.637 184 V HA 0.104 4.224 4.120 0.000 0.000 0.296 184 V C 0.459 176.610 176.094 0.095 0.000 1.046 184 V CA 0.080 62.405 62.300 0.043 0.000 1.066 184 V CB 0.194 32.026 31.823 0.015 0.000 0.968 184 V HN 0.543 nan 8.190 nan 0.000 0.483 185 L N 3.721 125.023 121.223 0.132 0.000 2.303 185 L HA 1.022 5.362 4.340 0.000 0.000 0.266 185 L C 0.334 177.261 176.870 0.095 0.000 1.011 185 L CA -0.465 54.441 54.840 0.109 0.000 0.818 185 L CB 2.221 44.303 42.059 0.039 0.000 1.326 185 L HN 0.800 nan 8.230 nan 0.000 0.435 186 G N 0.990 109.866 108.800 0.126 0.000 2.596 186 G HA2 0.590 4.550 3.960 0.000 0.000 0.296 186 G HA3 0.590 4.550 3.960 0.000 0.000 0.296 186 G C -1.735 173.309 174.900 0.240 0.000 1.513 186 G CA -0.490 44.644 45.100 0.058 0.000 0.851 186 G HN 0.612 nan 8.290 nan 0.000 0.548 187 F N -1.279 118.697 119.950 0.044 0.000 2.799 187 F HA 0.589 5.116 4.527 0.000 0.000 0.316 187 F C -1.576 174.300 175.800 0.126 0.000 1.155 187 F CA -1.495 56.567 58.000 0.104 0.000 0.916 187 F CB 0.740 39.820 39.000 0.132 0.000 1.294 187 F HN 0.334 nan 8.300 nan 0.000 0.447 188 D N 1.502 122.120 120.400 0.363 0.000 2.343 188 D HA 0.227 4.867 4.640 0.000 0.000 0.255 188 D C 1.248 177.845 176.300 0.494 0.000 1.187 188 D CA 0.465 54.644 54.000 0.298 0.000 0.875 188 D CB 1.822 42.798 40.800 0.292 0.000 1.136 188 D HN 0.800 nan 8.370 nan 0.000 0.469 189 T N -0.037 114.695 114.554 0.296 0.000 2.985 189 T HA 0.269 4.619 4.350 0.000 0.000 0.266 189 T C 1.079 176.093 174.700 0.523 0.000 1.076 189 T CA 0.606 62.952 62.100 0.410 0.000 1.135 189 T CB 0.178 69.154 68.868 0.180 0.000 0.890 189 T HN 0.588 nan 8.240 nan 0.000 0.480 190 G N 1.510 110.478 108.800 0.279 0.000 2.291 190 G HA2 0.278 4.238 3.960 0.000 0.000 0.249 190 G HA3 0.278 4.238 3.960 0.000 0.000 0.249 190 G C -3.151 171.599 174.900 -0.250 0.000 1.340 190 G CA -0.609 44.470 45.100 -0.035 0.000 1.017 190 G HN 0.267 nan 8.290 nan 0.000 0.470 191 P HA 0.323 nan 4.420 nan 0.000 0.268 191 P C 0.624 177.840 177.300 -0.141 0.000 1.205 191 P CA 1.028 63.929 63.100 -0.331 0.000 0.771 191 P CB 1.410 32.876 31.700 -0.390 0.000 0.858 192 G N 2.714 111.468 108.800 -0.076 0.000 2.543 192 G HA2 -0.005 3.955 3.960 0.000 0.000 0.221 192 G HA3 -0.005 3.955 3.960 0.000 0.000 0.221 192 G C 0.838 175.728 174.900 -0.017 0.000 1.902 192 G CA -0.009 45.065 45.100 -0.044 0.000 0.838 192 G HN 0.505 nan 8.290 nan 0.000 0.650 193 N N -0.395 118.307 118.700 0.003 0.000 2.299 193 N HA 0.088 4.828 4.740 0.000 0.000 0.187 193 N C 1.859 177.407 175.510 0.063 0.000 1.099 193 N CA 0.475 53.548 53.050 0.038 0.000 0.867 193 N CB 0.522 39.028 38.487 0.031 0.000 0.974 193 N HN 0.304 nan 8.380 nan 0.000 0.477 194 T N 0.944 115.528 114.554 0.050 0.000 2.720 194 T HA -0.053 4.297 4.350 0.000 0.000 0.268 194 T C 1.559 176.336 174.700 0.128 0.000 1.037 194 T CA 1.222 63.371 62.100 0.081 0.000 1.144 194 T CB -0.105 68.807 68.868 0.074 0.000 0.864 194 T HN 0.143 nan 8.240 nan 0.000 0.444 195 L N 0.855 122.156 121.223 0.131 0.000 2.162 195 L HA 0.156 4.496 4.340 0.000 0.000 0.205 195 L C 2.541 179.536 176.870 0.207 0.000 1.086 195 L CA 0.943 55.891 54.840 0.180 0.000 0.778 195 L CB -0.550 41.615 42.059 0.176 0.000 0.928 195 L HN 0.400 nan 8.230 nan 0.000 0.446 196 I N -2.418 118.254 120.570 0.171 0.000 2.361 196 I HA -0.206 3.964 4.170 0.000 0.000 0.251 196 I C 1.738 178.020 176.117 0.276 0.000 1.133 196 I CA 1.382 62.815 61.300 0.222 0.000 1.413 196 I CB -0.509 37.588 38.000 0.162 0.000 1.073 196 I HN 0.131 nan 8.210 nan 0.000 0.424 197 D N 2.040 122.572 120.400 0.219 0.000 2.084 197 D HA -0.063 4.577 4.640 0.000 0.000 0.196 197 D C 2.477 178.903 176.300 0.211 0.000 0.985 197 D CA 1.927 56.051 54.000 0.207 0.000 0.826 197 D CB -0.249 40.645 40.800 0.155 0.000 0.978 197 D HN 0.455 nan 8.370 nan 0.000 0.456 198 A N 0.673 123.625 122.820 0.220 0.000 1.948 198 A HA -0.204 4.116 4.320 0.000 0.000 0.220 198 A C 2.168 179.937 177.584 0.309 0.000 1.177 198 A CA 1.376 53.552 52.037 0.232 0.000 0.636 198 A CB -1.174 17.969 19.000 0.238 0.000 0.815 198 A HN 0.492 nan 8.150 nan 0.000 0.449 199 W N -0.285 121.109 121.300 0.156 0.000 2.409 199 W HA -0.087 4.573 4.660 0.000 0.000 0.299 199 W C 2.045 178.727 176.519 0.271 0.000 1.203 199 W CA 1.538 59.002 57.345 0.198 0.000 1.298 199 W CB -0.133 29.438 29.460 0.186 0.000 1.127 199 W HN 0.222 nan 8.180 nan 0.000 0.528 200 V N 1.531 121.643 119.914 0.330 0.000 2.490 200 V HA -0.312 3.808 4.120 0.000 0.000 0.250 200 V C 2.193 178.222 176.094 -0.109 0.000 1.061 200 V CA 2.324 64.675 62.300 0.085 0.000 1.064 200 V CB -0.284 31.643 31.823 0.173 0.000 0.670 200 V HN 0.247 nan 8.190 nan 0.000 0.461 201 Q N -0.789 119.005 119.800 -0.010 0.000 2.079 201 Q HA -0.278 4.062 4.340 0.000 0.000 0.200 201 Q C 2.284 178.229 176.000 -0.092 0.000 0.974 201 Q CA 2.153 57.933 55.803 -0.039 0.000 0.840 201 Q CB -0.198 28.557 28.738 0.028 0.000 0.898 201 Q HN 0.711 nan 8.270 nan 0.000 0.430 202 Q N -0.049 119.692 119.800 -0.098 0.000 2.050 202 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 202 Q C 1.963 177.790 176.000 -0.288 0.000 0.980 202 Q CA 1.633 57.340 55.803 -0.159 0.000 0.840 202 Q CB 0.235 28.887 28.738 -0.143 0.000 0.898 202 Q HN 0.223 nan 8.270 nan 0.000 0.424 203 V N 0.126 119.766 119.914 -0.455 0.000 2.426 203 V HA -0.087 4.033 4.120 0.000 0.000 0.242 203 V C 1.739 177.598 176.094 -0.391 0.000 1.036 203 V CA 1.563 63.579 62.300 -0.473 0.000 1.044 203 V CB -0.136 31.333 31.823 -0.590 0.000 0.688 203 V HN 0.212 nan 8.190 nan 0.000 0.462 204 K N -0.881 119.248 120.400 -0.451 0.000 2.360 204 K HA 0.199 4.519 4.320 0.000 0.000 0.196 204 K C 0.394 176.827 176.600 -0.278 0.000 1.049 204 K CA -0.021 56.008 56.287 -0.429 0.000 1.049 204 K CB 0.275 32.395 32.500 -0.633 0.000 0.881 204 K HN 0.289 nan 8.250 nan 0.000 0.542 205 N N 2.305 120.874 118.700 -0.219 0.000 2.708 205 N HA -0.142 4.598 4.740 0.000 0.000 0.251 205 N C -0.836 174.594 175.510 -0.132 0.000 1.123 205 N CA 1.103 54.067 53.050 -0.143 0.000 0.739 205 N CB -0.420 37.996 38.487 -0.118 0.000 1.113 205 N HN 0.378 nan 8.380 nan 0.000 0.561 206 E N -0.380 119.720 120.200 -0.167 0.000 2.283 206 E HA 0.242 4.592 4.350 0.000 0.000 0.267 206 E C 1.292 177.847 176.600 -0.075 0.000 1.045 206 E CA -0.060 56.252 56.400 -0.146 0.000 0.884 206 E CB 0.889 30.458 29.700 -0.220 0.000 1.106 206 E HN 0.235 nan 8.360 nan 0.000 0.408 207 S N 0.832 116.518 115.700 -0.024 0.000 2.446 207 S HA -0.061 4.409 4.470 0.000 0.000 0.225 207 S C 0.596 175.313 174.600 0.194 0.000 1.016 207 S CA 0.472 58.721 58.200 0.082 0.000 0.943 207 S CB -0.332 62.939 63.200 0.117 0.000 0.786 207 S HN 0.577 nan 8.310 nan 0.000 0.508 208 Y N -0.862 119.437 120.300 -0.002 0.000 2.670 208 Y HA 0.692 5.242 4.550 0.000 0.000 0.334 208 Y C -1.596 174.329 175.900 0.042 0.000 1.185 208 Y CA -1.414 56.705 58.100 0.031 0.000 1.053 208 Y CB 0.486 38.961 38.460 0.026 0.000 1.298 208 Y HN -0.062 nan 8.280 nan 0.000 0.459 209 D N 2.211 122.687 120.400 0.126 0.000 2.479 209 D HA 0.130 4.770 4.640 0.000 0.000 0.218 209 D C -0.735 175.603 176.300 0.063 0.000 1.131 209 D CA -0.368 53.683 54.000 0.084 0.000 0.916 209 D CB 0.447 41.414 40.800 0.278 0.000 1.022 209 D HN 0.641 nan 8.370 nan 0.000 0.515 210 K N 3.312 123.585 120.400 -0.212 0.000 2.436 210 K HA -0.026 4.294 4.320 0.000 0.000 0.282 210 K C 0.725 177.374 176.600 0.083 0.000 1.044 210 K CA 0.247 56.477 56.287 -0.095 0.000 1.028 210 K CB -0.054 32.288 32.500 -0.262 0.000 0.919 210 K HN 0.569 nan 8.250 nan 0.000 0.474 211 N N 2.952 121.760 118.700 0.180 0.000 2.778 211 N HA -0.216 4.524 4.740 0.000 0.000 0.249 211 N C 0.271 175.849 175.510 0.114 0.000 1.069 211 N CA 0.594 53.727 53.050 0.137 0.000 0.831 211 N CB -0.723 37.823 38.487 0.097 0.000 1.142 211 N HN 1.043 nan 8.380 nan 0.000 0.573 212 G N -0.895 107.987 108.800 0.135 0.000 2.179 212 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 212 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 212 G C 0.935 175.903 174.900 0.113 0.000 1.010 212 G CA 1.120 46.294 45.100 0.122 0.000 0.736 212 G HN 0.860 nan 8.290 nan 0.000 0.513 213 A N -1.026 121.867 122.820 0.122 0.000 1.930 213 A HA 0.124 4.444 4.320 0.000 0.000 0.217 213 A C 1.984 179.679 177.584 0.184 0.000 1.175 213 A CA 1.975 54.082 52.037 0.116 0.000 0.627 213 A CB -0.480 18.573 19.000 0.087 0.000 0.815 213 A HN 1.063 nan 8.150 nan 0.000 0.443 214 W N 0.741 122.047 121.300 0.009 0.000 2.379 214 W HA -0.036 4.624 4.660 0.000 0.000 0.307 214 W C 2.492 179.036 176.519 0.041 0.000 1.200 214 W CA 1.402 58.759 57.345 0.020 0.000 1.297 214 W CB -0.577 28.892 29.460 0.015 0.000 1.140 214 W HN 0.356 nan 8.180 nan 0.000 0.507 215 A N 0.773 123.604 122.820 0.018 0.000 1.892 215 A HA -0.146 4.174 4.320 0.000 0.000 0.218 215 A C 2.155 179.691 177.584 -0.080 0.000 1.188 215 A CA 3.035 55.006 52.037 -0.110 0.000 0.631 215 A CB -1.543 17.441 19.000 -0.027 0.000 0.822 215 A HN 0.394 nan 8.150 nan 0.000 0.447 216 A N 0.097 122.913 122.820 -0.007 0.000 2.019 216 A HA -0.061 4.259 4.320 0.000 0.000 0.219 216 A C 2.386 179.966 177.584 -0.006 0.000 1.164 216 A CA 2.162 54.199 52.037 -0.001 0.000 0.644 216 A CB -0.867 18.148 19.000 0.025 0.000 0.805 216 A HN 1.105 nan 8.150 nan 0.000 0.449 217 S N -0.983 114.721 115.700 0.007 0.000 2.522 217 S HA 0.308 4.778 4.470 0.000 0.000 0.227 217 S C 1.054 175.637 174.600 -0.028 0.000 0.986 217 S CA 0.447 58.660 58.200 0.020 0.000 0.929 217 S CB -0.447 62.814 63.200 0.102 0.000 0.769 217 S HN 0.696 nan 8.310 nan 0.000 0.529 218 G N 0.399 109.141 108.800 -0.096 0.000 2.705 218 G HA2 0.611 4.571 3.960 0.000 0.000 0.299 218 G HA3 0.611 4.571 3.960 0.000 0.000 0.299 218 G C -1.284 173.563 174.900 -0.088 0.000 1.315 218 G CA -1.083 43.947 45.100 -0.118 0.000 1.045 218 G HN 0.354 nan 8.290 nan 0.000 0.517 219 K N -0.309 120.039 120.400 -0.087 0.000 2.426 219 K HA 0.493 4.813 4.320 0.000 0.000 0.254 219 K C -0.222 176.322 176.600 -0.093 0.000 0.936 219 K CA -0.369 55.876 56.287 -0.071 0.000 0.801 219 K CB 1.341 33.813 32.500 -0.046 0.000 1.139 219 K HN 0.370 nan 8.250 nan 0.000 0.424 220 T N 3.285 117.781 114.554 -0.097 0.000 2.902 220 T HA -0.037 4.313 4.350 0.000 0.000 0.301 220 T C -0.492 174.139 174.700 -0.116 0.000 1.012 220 T CA 0.288 62.313 62.100 -0.124 0.000 1.151 220 T CB 0.235 69.029 68.868 -0.123 0.000 0.946 220 T HN 0.512 nan 8.240 nan 0.000 0.542 221 D N 4.523 124.834 120.400 -0.149 0.000 2.347 221 D HA 0.158 4.798 4.640 0.000 0.000 0.235 221 D C -1.394 174.819 176.300 -0.145 0.000 1.149 221 D CA -2.391 51.532 54.000 -0.128 0.000 0.850 221 D CB 1.608 42.316 40.800 -0.154 0.000 1.061 221 D HN 0.161 nan 8.370 nan 0.000 0.487 222 P HA -0.173 nan 4.420 nan 0.000 0.219 222 P C 1.172 178.427 177.300 -0.074 0.000 1.146 222 P CA 0.974 64.017 63.100 -0.095 0.000 0.808 222 P CB 0.515 32.181 31.700 -0.058 0.000 0.779 223 Q N -0.239 119.544 119.800 -0.027 0.000 2.049 223 Q HA -0.104 4.236 4.340 0.000 0.000 0.198 223 Q C 2.061 178.048 176.000 -0.022 0.000 0.971 223 Q CA 1.027 56.857 55.803 0.046 0.000 0.833 223 Q CB -1.293 27.555 28.738 0.184 0.000 0.896 223 Q HN 0.058 nan 8.270 nan 0.000 0.434 224 L N -0.076 120.991 121.223 -0.260 0.000 2.017 224 L HA -0.109 4.231 4.340 0.000 0.000 0.208 224 L C 2.063 178.751 176.870 -0.303 0.000 1.073 224 L CA 1.667 56.159 54.840 -0.580 0.000 0.745 224 L CB -1.062 40.431 42.059 -0.943 0.000 0.894 224 L HN 0.453 nan 8.230 nan 0.000 0.432 225 L N -0.046 121.031 121.223 -0.244 0.000 2.012 225 L HA -0.151 4.189 4.340 0.000 0.000 0.210 225 L C 2.535 179.324 176.870 -0.135 0.000 1.073 225 L CA 2.242 56.957 54.840 -0.207 0.000 0.748 225 L CB -1.229 40.674 42.059 -0.260 0.000 0.891 225 L HN 0.312 nan 8.230 nan 0.000 0.431 226 A N -1.249 121.513 122.820 -0.097 0.000 1.908 226 A HA -0.296 4.024 4.320 0.000 0.000 0.218 226 A C 2.327 179.928 177.584 0.029 0.000 1.181 226 A CA 1.924 53.941 52.037 -0.035 0.000 0.627 226 A CB -0.723 18.267 19.000 -0.016 0.000 0.818 226 A HN 0.685 nan 8.150 nan 0.000 0.445 227 Q N -0.359 119.462 119.800 0.036 0.000 2.046 227 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 227 Q C 2.048 178.147 176.000 0.166 0.000 0.975 227 Q CA 1.428 57.288 55.803 0.094 0.000 0.836 227 Q CB -0.233 28.562 28.738 0.095 0.000 0.896 227 Q HN 0.683 nan 8.270 nan 0.000 0.428 228 L N 0.490 121.789 121.223 0.127 0.000 2.012 228 L HA -0.223 4.117 4.340 0.000 0.000 0.210 228 L C 2.428 179.568 176.870 0.451 0.000 1.073 228 L CA 0.993 56.024 54.840 0.318 0.000 0.748 228 L CB -0.408 41.761 42.059 0.182 0.000 0.891 228 L HN 0.297 nan 8.230 nan 0.000 0.431 229 L N -0.260 121.072 121.223 0.182 0.000 2.456 229 L HA -0.110 4.230 4.340 0.000 0.000 0.224 229 L C 2.478 179.538 176.870 0.317 0.000 1.148 229 L CA 0.907 55.790 54.840 0.072 0.000 0.825 229 L CB -0.357 41.634 42.059 -0.114 0.000 0.937 229 L HN 0.367 nan 8.230 nan 0.000 0.450 230 S N -2.354 113.541 115.700 0.324 0.000 2.603 230 S HA -0.085 4.385 4.470 0.000 0.000 0.220 230 S C 0.954 175.780 174.600 0.377 0.000 0.967 230 S CA -0.373 58.004 58.200 0.295 0.000 0.920 230 S CB -0.537 62.771 63.200 0.181 0.000 0.773 230 S HN 0.369 nan 8.310 nan 0.000 0.529 231 H N 3.439 122.798 119.070 0.481 0.000 3.094 231 H HA 0.096 4.652 4.556 0.000 0.000 0.320 231 H C -1.787 173.664 175.328 0.205 0.000 1.000 231 H CA -0.718 55.540 56.048 0.349 0.000 1.413 231 H CB 1.092 31.049 29.762 0.325 0.000 1.405 231 H HN 0.109 nan 8.280 nan 0.000 0.586 232 P HA -0.181 nan 4.420 nan 0.000 0.219 232 P C 1.259 178.641 177.300 0.137 0.000 1.146 232 P CA 1.065 64.195 63.100 0.049 0.000 0.808 232 P CB -0.227 31.430 31.700 -0.073 0.000 0.779 233 Y N -0.026 120.395 120.300 0.200 0.000 2.151 233 Y HA -0.254 4.296 4.550 0.000 0.000 0.284 233 Y C 1.857 177.719 175.900 -0.063 0.000 1.166 233 Y CA 1.695 59.763 58.100 -0.054 0.000 1.163 233 Y CB -0.987 37.271 38.460 -0.337 0.000 0.974 233 Y HN -0.165 nan 8.280 nan 0.000 0.511 234 F N -1.024 119.090 119.950 0.272 0.000 2.365 234 F HA -0.114 4.413 4.527 0.000 0.000 0.300 234 F C 2.372 178.183 175.800 0.019 0.000 1.090 234 F CA 1.330 59.416 58.000 0.144 0.000 1.408 234 F CB -0.758 38.364 39.000 0.204 0.000 1.060 234 F HN -0.076 nan 8.300 nan 0.000 0.534 235 S N -0.257 115.525 115.700 0.136 0.000 2.575 235 S HA 0.198 4.668 4.470 0.000 0.000 0.215 235 S C 0.782 175.338 174.600 -0.073 0.000 0.966 235 S CA -0.149 58.075 58.200 0.040 0.000 0.911 235 S CB -0.199 63.031 63.200 0.050 0.000 0.780 235 S HN 0.075 nan 8.310 nan 0.000 0.514 236 L N 2.185 123.307 121.223 -0.169 0.000 2.426 236 L HA 0.323 4.663 4.340 0.000 0.000 0.271 236 L C 0.689 177.392 176.870 -0.279 0.000 1.169 236 L CA -0.718 53.977 54.840 -0.243 0.000 0.836 236 L CB 0.270 42.113 42.059 -0.361 0.000 1.112 236 L HN 0.150 nan 8.230 nan 0.000 0.465 237 A N 3.223 125.875 122.820 -0.280 0.000 2.407 237 A HA 0.326 4.646 4.320 0.000 0.000 0.248 237 A C -0.507 176.821 177.584 -0.427 0.000 1.082 237 A CA -0.376 51.416 52.037 -0.409 0.000 0.785 237 A CB 0.103 18.870 19.000 -0.388 0.000 1.020 237 A HN 0.591 nan 8.150 nan 0.000 0.489 238 Y N 0.472 120.504 120.300 -0.447 0.000 2.299 238 Y HA 0.559 5.109 4.550 0.000 0.000 0.335 238 Y C -2.207 173.587 175.900 -0.176 0.000 1.287 238 Y CA -2.774 55.073 58.100 -0.422 0.000 1.424 238 Y CB -1.008 36.971 38.460 -0.803 0.000 1.326 238 Y HN 0.433 nan 8.280 nan 0.000 0.567 239 P HA 0.132 nan 4.420 nan 0.000 0.264 239 P C -1.390 175.981 177.300 0.118 0.000 1.193 239 P CA -0.120 63.097 63.100 0.195 0.000 0.763 239 P CB 0.323 32.121 31.700 0.164 0.000 0.810 240 K N 0.274 120.792 120.400 0.198 0.000 2.557 240 K HA 0.725 5.045 4.320 0.000 0.000 0.261 240 K C -1.295 175.514 176.600 0.348 0.000 0.932 240 K CA -0.810 55.597 56.287 0.199 0.000 0.829 240 K CB 1.694 34.218 32.500 0.039 0.000 1.358 240 K HN 0.375 nan 8.250 nan 0.000 0.430 241 S N 0.317 116.225 115.700 0.346 0.000 2.627 241 S HA 0.698 5.168 4.470 0.000 0.000 0.283 241 S C -1.028 173.761 174.600 0.314 0.000 1.127 241 S CA -0.689 57.733 58.200 0.369 0.000 0.863 241 S CB 2.153 65.584 63.200 0.385 0.000 1.121 241 S HN 0.753 nan 8.310 nan 0.000 0.479 242 T N -0.274 114.400 114.554 0.199 0.000 2.916 242 T HA 0.714 5.064 4.350 0.000 0.000 0.305 242 T C 0.484 175.246 174.700 0.103 0.000 1.119 242 T CA 0.088 62.207 62.100 0.031 0.000 1.008 242 T CB 1.118 69.747 68.868 -0.398 0.000 1.129 242 T HN 1.040 nan 8.240 nan 0.000 0.480 243 G N 1.672 110.532 108.800 0.099 0.000 3.374 243 G HA2 0.322 4.282 3.960 0.000 0.000 0.200 243 G HA3 0.322 4.282 3.960 0.000 0.000 0.200 243 G C 0.495 175.401 174.900 0.010 0.000 1.801 243 G CA -0.333 44.819 45.100 0.087 0.000 0.842 243 G HN 0.673 nan 8.290 nan 0.000 0.688 244 R N 0.747 121.253 120.500 0.009 0.000 2.432 244 R HA 0.130 4.470 4.340 0.000 0.000 0.260 244 R C 1.823 178.093 176.300 -0.049 0.000 0.935 244 R CA 0.170 56.268 56.100 -0.002 0.000 1.080 244 R CB 0.573 30.894 30.300 0.035 0.000 1.155 244 R HN 0.572 nan 8.270 nan 0.000 0.531 245 E N 1.207 121.348 120.200 -0.097 0.000 2.285 245 E HA -0.091 4.259 4.350 0.000 0.000 0.194 245 E C 1.273 177.738 176.600 -0.225 0.000 0.997 245 E CA 1.007 57.336 56.400 -0.118 0.000 0.845 245 E CB 0.146 29.782 29.700 -0.108 0.000 0.782 245 E HN 0.336 nan 8.360 nan 0.000 0.491 246 L N -1.043 119.924 121.223 -0.427 0.000 2.453 246 L HA 0.260 4.600 4.340 0.000 0.000 0.190 246 L C 0.647 176.893 176.870 -1.041 0.000 1.093 246 L CA 0.074 54.408 54.840 -0.844 0.000 0.834 246 L CB 0.011 41.255 42.059 -1.358 0.000 1.090 246 L HN -0.118 nan 8.230 nan 0.000 0.489 247 F N 2.422 122.057 119.950 -0.525 0.000 2.351 247 F HA 0.229 4.756 4.527 0.000 0.000 0.362 247 F C 0.140 175.894 175.800 -0.076 0.000 1.131 247 F CA -0.876 56.874 58.000 -0.417 0.000 1.187 247 F CB -0.066 38.681 39.000 -0.421 0.000 1.434 247 F HN 0.244 nan 8.300 nan 0.000 0.553 248 N N -0.083 118.750 118.700 0.221 0.000 2.902 248 N HA 0.232 4.972 4.740 0.000 0.000 0.268 248 N C 0.259 175.947 175.510 0.297 0.000 1.450 248 N CA -0.967 52.214 53.050 0.217 0.000 0.819 248 N CB 0.789 39.355 38.487 0.130 0.000 1.540 248 N HN 0.238 nan 8.380 nan 0.000 0.545 249 Q N -0.725 119.209 119.800 0.223 0.000 2.079 249 Q HA 0.028 4.368 4.340 0.000 0.000 0.200 249 Q C 1.741 177.860 176.000 0.197 0.000 0.974 249 Q CA 2.207 58.138 55.803 0.213 0.000 0.840 249 Q CB -0.371 28.471 28.738 0.173 0.000 0.898 249 Q HN 0.741 nan 8.270 nan 0.000 0.430 250 A N -0.415 122.516 122.820 0.185 0.000 1.902 250 A HA -0.203 4.117 4.320 0.000 0.000 0.217 250 A C 1.711 179.406 177.584 0.184 0.000 1.181 250 A CA 1.308 53.440 52.037 0.158 0.000 0.623 250 A CB -1.126 17.956 19.000 0.137 0.000 0.818 250 A HN 0.740 nan 8.150 nan 0.000 0.443 251 W N 0.445 121.782 121.300 0.063 0.000 2.355 251 W HA -0.154 4.506 4.660 -0.000 0.000 0.309 251 W C 1.738 178.308 176.519 0.084 0.000 1.206 251 W CA 1.802 59.187 57.345 0.067 0.000 1.284 251 W CB -0.461 29.030 29.460 0.053 0.000 1.145 251 W HN 0.289 nan 8.180 nan 0.000 0.502 252 L N 1.530 122.830 121.223 0.129 0.000 2.012 252 L HA -0.221 4.119 4.340 0.000 0.000 0.210 252 L C 2.441 179.218 176.870 -0.156 0.000 1.073 252 L CA 2.828 57.606 54.840 -0.102 0.000 0.748 252 L CB -1.394 40.741 42.059 0.127 0.000 0.891 252 L HN 0.330 nan 8.230 nan 0.000 0.431 253 E N -1.315 118.877 120.200 -0.014 0.000 2.110 253 E HA -0.307 4.043 4.350 0.000 0.000 0.193 253 E C 2.159 178.733 176.600 -0.043 0.000 0.988 253 E CA 1.207 57.615 56.400 0.014 0.000 0.804 253 E CB -0.106 29.643 29.700 0.083 0.000 0.745 253 E HN 0.559 nan 8.360 nan 0.000 0.458 254 Q N 0.156 119.904 119.800 -0.086 0.000 2.123 254 Q HA -0.123 4.217 4.340 0.000 0.000 0.199 254 Q C 2.075 177.971 176.000 -0.173 0.000 0.966 254 Q CA 1.331 57.073 55.803 -0.102 0.000 0.845 254 Q CB 0.024 28.717 28.738 -0.074 0.000 0.907 254 Q HN 0.273 nan 8.270 nan 0.000 0.439 255 Q N -0.332 119.255 119.800 -0.356 0.000 2.124 255 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 255 Q C 1.762 177.700 176.000 -0.103 0.000 0.977 255 Q CA 1.026 56.614 55.803 -0.358 0.000 0.850 255 Q CB -0.050 28.253 28.738 -0.725 0.000 0.901 255 Q HN 0.425 nan 8.270 nan 0.000 0.429 256 L N 0.957 122.120 121.223 -0.101 0.000 2.591 256 L HA 0.027 4.368 4.340 0.000 0.000 0.228 256 L C 1.748 178.682 176.870 0.105 0.000 1.133 256 L CA 0.368 55.230 54.840 0.037 0.000 0.880 256 L CB -0.227 41.767 42.059 -0.109 0.000 1.033 256 L HN 0.096 nan 8.230 nan 0.000 0.450 257 S N -0.415 115.305 115.700 0.034 0.000 2.805 257 S HA 0.084 4.554 4.470 0.000 0.000 0.230 257 S C 1.301 175.875 174.600 -0.044 0.000 0.968 257 S CA 0.552 58.756 58.200 0.006 0.000 0.976 257 S CB 0.028 63.222 63.200 -0.010 0.000 0.787 257 S HN 0.349 nan 8.310 nan 0.000 0.533 258 A N 0.040 122.803 122.820 -0.094 0.000 2.427 258 A HA 0.539 4.859 4.320 0.000 0.000 0.225 258 A C 0.553 177.864 177.584 -0.454 0.000 1.257 258 A CA -0.346 51.493 52.037 -0.329 0.000 0.985 258 A CB 0.083 18.776 19.000 -0.511 0.000 1.136 258 A HN 0.520 nan 8.150 nan 0.000 0.538 259 F N 1.645 121.560 119.950 -0.058 0.000 2.925 259 F HA 0.151 4.678 4.527 0.000 0.000 0.302 259 F C 1.381 177.166 175.800 -0.025 0.000 1.189 259 F CA -0.114 57.853 58.000 -0.055 0.000 1.346 259 F CB -0.524 38.419 39.000 -0.095 0.000 0.954 259 F HN 0.407 nan 8.300 nan 0.000 0.506 260 N N -0.182 118.574 118.700 0.094 0.000 2.205 260 N HA -0.200 4.540 4.740 0.000 0.000 0.186 260 N C 1.232 176.805 175.510 0.105 0.000 1.015 260 N CA 1.064 54.173 53.050 0.098 0.000 0.862 260 N CB -0.191 38.330 38.487 0.057 0.000 0.986 260 N HN 0.264 nan 8.380 nan 0.000 0.429 261 Q N 0.062 119.911 119.800 0.082 0.000 2.280 261 Q HA 0.220 4.560 4.340 0.000 0.000 0.202 261 Q C -0.053 176.004 176.000 0.096 0.000 0.903 261 Q CA -0.059 55.791 55.803 0.078 0.000 0.948 261 Q CB 0.417 29.182 28.738 0.045 0.000 1.058 261 Q HN 0.513 nan 8.270 nan 0.000 0.493 262 L N 1.885 123.184 121.223 0.127 0.000 2.439 262 L HA 0.102 4.442 4.340 0.000 0.000 0.269 262 L C 0.588 177.530 176.870 0.121 0.000 1.179 262 L CA -0.241 54.666 54.840 0.112 0.000 0.828 262 L CB 0.412 42.528 42.059 0.095 0.000 1.106 262 L HN 0.066 nan 8.230 nan 0.000 0.467 263 N N 2.257 121.012 118.700 0.092 0.000 2.458 263 N HA -0.052 4.688 4.740 0.000 0.000 0.258 263 N C 0.710 176.315 175.510 0.159 0.000 1.219 263 N CA 0.085 53.203 53.050 0.114 0.000 0.902 263 N CB 1.014 39.543 38.487 0.070 0.000 1.076 263 N HN 0.522 nan 8.380 nan 0.000 0.455 264 E N 1.106 121.472 120.200 0.278 0.000 2.118 264 E HA -0.223 4.127 4.350 0.000 0.000 0.195 264 E C 1.597 178.296 176.600 0.165 0.000 0.992 264 E CA 1.137 57.829 56.400 0.487 0.000 0.804 264 E CB 0.129 30.160 29.700 0.551 0.000 0.741 264 E HN 0.642 nan 8.360 nan 0.000 0.458 265 E N 0.960 121.110 120.200 -0.083 0.000 2.208 265 E HA -0.204 4.146 4.350 0.000 0.000 0.193 265 E C 0.801 177.172 176.600 -0.382 0.000 0.988 265 E CA 1.127 57.168 56.400 -0.599 0.000 0.828 265 E CB -0.035 29.468 29.700 -0.327 0.000 0.763 265 E HN 0.223 nan 8.360 nan 0.000 0.478 266 D N 1.369 121.661 120.400 -0.179 0.000 2.123 266 D HA -0.011 4.629 4.640 0.000 0.000 0.200 266 D C 2.245 178.413 176.300 -0.221 0.000 0.976 266 D CA 0.817 54.720 54.000 -0.162 0.000 0.831 266 D CB -0.250 40.496 40.800 -0.089 0.000 0.974 266 D HN 0.265 nan 8.370 nan 0.000 0.469 267 I N 0.608 121.042 120.570 -0.226 0.000 2.208 267 I HA -0.312 3.858 4.170 0.000 0.000 0.245 267 I C 2.476 178.339 176.117 -0.423 0.000 1.097 267 I CA 1.035 62.094 61.300 -0.402 0.000 1.363 267 I CB -0.130 37.501 38.000 -0.615 0.000 1.051 267 I HN -0.048 nan 8.210 nan 0.000 0.413 268 Q N 0.596 120.179 119.800 -0.362 0.000 2.061 268 Q HA -0.229 4.111 4.340 0.000 0.000 0.204 268 Q C 2.342 178.193 176.000 -0.248 0.000 0.984 268 Q CA 2.441 58.055 55.803 -0.315 0.000 0.846 268 Q CB -0.387 27.907 28.738 -0.740 0.000 0.902 268 Q HN 0.365 nan 8.270 nan 0.000 0.421 269 S N -1.377 114.161 115.700 -0.270 0.000 2.368 269 S HA -0.166 4.304 4.470 0.000 0.000 0.225 269 S C 1.816 176.321 174.600 -0.158 0.000 1.030 269 S CA 1.799 59.891 58.200 -0.180 0.000 0.999 269 S CB -0.614 62.487 63.200 -0.166 0.000 0.844 269 S HN 0.660 nan 8.310 nan 0.000 0.459 270 T N 2.799 117.230 114.554 -0.203 0.000 2.788 270 T HA -0.006 4.344 4.350 0.000 0.000 0.268 270 T C 1.744 176.332 174.700 -0.185 0.000 1.044 270 T CA 1.474 63.446 62.100 -0.215 0.000 1.139 270 T CB -0.392 68.305 68.868 -0.284 0.000 0.867 270 T HN 0.334 nan 8.240 nan 0.000 0.454 271 L N 0.152 121.265 121.223 -0.184 0.000 2.056 271 L HA -0.002 4.338 4.340 0.000 0.000 0.207 271 L C 2.452 179.286 176.870 -0.061 0.000 1.078 271 L CA 0.588 55.359 54.840 -0.114 0.000 0.749 271 L CB -0.561 41.439 42.059 -0.099 0.000 0.901 271 L HN 0.202 nan 8.230 nan 0.000 0.433 272 L N 0.087 121.278 121.223 -0.055 0.000 2.042 272 L HA -0.246 4.094 4.340 0.000 0.000 0.210 272 L C 2.008 178.864 176.870 -0.023 0.000 1.076 272 L CA 1.913 56.738 54.840 -0.026 0.000 0.749 272 L CB -0.680 41.368 42.059 -0.017 0.000 0.893 272 L HN 0.193 nan 8.230 nan 0.000 0.432 273 D N -0.811 119.571 120.400 -0.031 0.000 2.144 273 D HA -0.173 4.467 4.640 0.000 0.000 0.200 273 D C 2.345 178.651 176.300 0.010 0.000 0.978 273 D CA 0.899 54.920 54.000 0.035 0.000 0.833 273 D CB -0.134 40.636 40.800 -0.050 0.000 0.961 273 D HN 0.342 nan 8.370 nan 0.000 0.470 274 L N 0.741 121.913 121.223 -0.085 0.000 2.013 274 L HA -0.228 4.112 4.340 0.000 0.000 0.212 274 L C 2.081 178.881 176.870 -0.117 0.000 1.073 274 L CA 1.473 56.243 54.840 -0.117 0.000 0.753 274 L CB -0.505 41.513 42.059 -0.069 0.000 0.890 274 L HN 0.085 nan 8.230 nan 0.000 0.432 275 T N -0.932 113.577 114.554 -0.075 0.000 2.674 275 T HA -0.219 4.131 4.350 0.000 0.000 0.265 275 T C 1.908 176.566 174.700 -0.070 0.000 1.039 275 T CA 1.665 63.720 62.100 -0.075 0.000 1.150 275 T CB -0.460 68.377 68.868 -0.052 0.000 0.864 275 T HN 0.488 nan 8.240 nan 0.000 0.427 276 C N 0.554 119.830 119.300 -0.041 0.000 2.429 276 C HA -0.051 4.410 4.460 0.000 0.000 0.277 276 C C 2.650 177.569 174.990 -0.119 0.000 1.262 276 C CA 0.556 59.529 59.018 -0.077 0.000 1.733 276 C CB -1.154 26.549 27.740 -0.063 0.000 2.010 276 C HN 0.628 nan 8.230 nan 0.000 0.483 277 H N 1.130 120.110 119.070 -0.150 0.000 2.333 277 H HA -0.074 4.482 4.556 0.000 0.000 0.302 277 H C 2.557 177.769 175.328 -0.193 0.000 1.075 277 H CA 2.080 58.032 56.048 -0.160 0.000 1.348 277 H CB -0.299 29.366 29.762 -0.163 0.000 1.393 277 H HN 0.564 nan 8.280 nan 0.000 0.509 278 S N 0.371 115.976 115.700 -0.158 0.000 2.359 278 S HA -0.187 4.283 4.470 0.000 0.000 0.224 278 S C 2.186 176.750 174.600 -0.060 0.000 1.035 278 S CA 1.504 59.564 58.200 -0.234 0.000 1.018 278 S CB -0.681 62.251 63.200 -0.446 0.000 0.876 278 S HN 0.339 nan 8.310 nan 0.000 0.448 279 I N 2.589 123.118 120.570 -0.070 0.000 2.142 279 I HA -0.170 4.000 4.170 0.000 0.000 0.240 279 I C 3.142 179.192 176.117 -0.113 0.000 1.078 279 I CA 1.274 62.528 61.300 -0.076 0.000 1.343 279 I CB -0.786 37.148 38.000 -0.109 0.000 1.046 279 I HN 0.427 nan 8.210 nan 0.000 0.405 280 A N 0.036 122.763 122.820 -0.155 0.000 1.908 280 A HA -0.288 4.032 4.320 0.000 0.000 0.218 280 A C 2.257 179.766 177.584 -0.126 0.000 1.181 280 A CA 1.787 53.710 52.037 -0.190 0.000 0.627 280 A CB -0.717 18.138 19.000 -0.241 0.000 0.818 280 A HN 0.495 nan 8.150 nan 0.000 0.445 281 Q N -0.685 119.068 119.800 -0.077 0.000 2.050 281 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 281 Q C 1.596 177.606 176.000 0.015 0.000 0.980 281 Q CA 1.553 57.341 55.803 -0.025 0.000 0.840 281 Q CB -0.208 28.525 28.738 -0.008 0.000 0.898 281 Q HN 0.595 nan 8.270 nan 0.000 0.424 282 D N 0.364 120.796 120.400 0.054 0.000 2.117 282 D HA -0.115 4.525 4.640 0.000 0.000 0.197 282 D C 1.814 178.152 176.300 0.064 0.000 0.987 282 D CA 0.914 54.999 54.000 0.142 0.000 0.829 282 D CB -0.064 40.904 40.800 0.280 0.000 0.961 282 D HN 0.242 nan 8.370 nan 0.000 0.460 283 I N 0.501 121.041 120.570 -0.050 0.000 2.252 283 I HA -0.222 3.948 4.170 0.000 0.000 0.245 283 I C 2.255 178.332 176.117 -0.067 0.000 1.102 283 I CA 0.668 61.891 61.300 -0.128 0.000 1.385 283 I CB -0.077 37.737 38.000 -0.310 0.000 1.064 283 I HN -0.037 nan 8.210 nan 0.000 0.414 284 L N 0.242 121.436 121.223 -0.048 0.000 2.275 284 L HA -0.169 4.172 4.340 0.000 0.000 0.215 284 L C 2.289 179.173 176.870 0.023 0.000 1.119 284 L CA 1.084 55.935 54.840 0.019 0.000 0.790 284 L CB -0.492 41.569 42.059 0.005 0.000 0.919 284 L HN 0.166 nan 8.230 nan 0.000 0.443 285 K N 0.029 120.439 120.400 0.018 0.000 2.217 285 K HA -0.055 4.265 4.320 0.000 0.000 0.202 285 K C 1.973 178.565 176.600 -0.013 0.000 1.051 285 K CA 0.895 57.197 56.287 0.025 0.000 0.952 285 K CB 0.073 32.610 32.500 0.062 0.000 0.736 285 K HN 0.272 nan 8.250 nan 0.000 0.453 286 L N -0.326 120.845 121.223 -0.087 0.000 2.102 286 L HA 0.108 4.448 4.340 0.000 0.000 0.202 286 L C 0.628 177.374 176.870 -0.207 0.000 1.076 286 L CA 0.098 54.751 54.840 -0.312 0.000 0.761 286 L CB 0.105 41.754 42.059 -0.684 0.000 0.921 286 L HN 0.014 nan 8.230 nan 0.000 0.444 287 A N -1.516 121.292 122.820 -0.021 0.000 2.594 287 A HA 0.388 4.708 4.320 0.000 0.000 0.296 287 A C -0.259 177.436 177.584 0.184 0.000 1.061 287 A CA -0.575 51.521 52.037 0.098 0.000 0.689 287 A CB 1.263 20.367 19.000 0.173 0.000 1.280 287 A HN 0.001 nan 8.150 nan 0.000 0.406 288 Q N 0.376 120.238 119.800 0.104 0.000 2.331 288 Q HA 0.079 4.419 4.340 0.000 0.000 0.203 288 Q C -0.314 175.718 176.000 0.053 0.000 0.944 288 Q CA 1.161 57.037 55.803 0.120 0.000 0.892 288 Q CB 0.474 29.242 28.738 0.049 0.000 0.983 288 Q HN 0.804 nan 8.270 nan 0.000 0.482 289 E N -1.073 119.021 120.200 -0.176 0.000 2.314 289 E HA 0.654 5.004 4.350 0.000 0.000 0.272 289 E C -0.505 175.633 176.600 -0.769 0.000 0.884 289 E CA -0.507 55.596 56.400 -0.497 0.000 0.753 289 E CB 2.352 31.908 29.700 -0.241 0.000 1.213 289 E HN 0.126 nan 8.360 nan 0.000 0.432 290 G N 1.451 109.554 108.800 -1.163 0.000 2.335 290 G HA2 0.206 4.166 3.960 0.000 0.000 0.291 290 G HA3 0.206 4.166 3.960 0.000 0.000 0.291 290 G C -1.541 173.070 174.900 -0.481 0.000 1.261 290 G CA -0.793 43.879 45.100 -0.714 0.000 0.871 290 G HN 0.388 nan 8.290 nan 0.000 0.491 291 E N -0.423 119.708 120.200 -0.115 0.000 2.176 291 E HA 0.526 4.876 4.350 0.000 0.000 0.267 291 E C -1.371 175.208 176.600 -0.035 0.000 0.893 291 E CA -0.687 55.656 56.400 -0.096 0.000 0.761 291 E CB 2.788 32.488 29.700 0.001 0.000 1.133 291 E HN 0.366 nan 8.360 nan 0.000 0.409 292 L N 3.835 124.912 121.223 -0.242 0.000 2.313 292 L HA 0.510 4.850 4.340 0.000 0.000 0.283 292 L C -1.763 174.740 176.870 -0.612 0.000 1.013 292 L CA -0.261 54.433 54.840 -0.244 0.000 0.816 292 L CB 0.421 42.366 42.059 -0.189 0.000 1.236 292 L HN 0.394 nan 8.230 nan 0.000 0.419 293 F N 5.015 124.849 119.950 -0.194 0.000 2.460 293 F HA 0.573 5.100 4.527 0.000 0.000 0.341 293 F C -0.209 175.406 175.800 -0.308 0.000 1.130 293 F CA -0.855 56.972 58.000 -0.290 0.000 0.962 293 F CB 1.838 40.571 39.000 -0.444 0.000 1.171 293 F HN 0.118 nan 8.300 nan 0.000 0.436 294 V N 2.906 122.734 119.914 -0.143 0.000 2.532 294 V HA 0.632 4.752 4.120 0.000 0.000 0.295 294 V C 0.100 176.081 176.094 -0.188 0.000 1.041 294 V CA -0.814 61.383 62.300 -0.171 0.000 0.926 294 V CB 1.254 32.964 31.823 -0.187 0.000 0.992 294 V HN 1.033 nan 8.190 nan 0.000 0.457 295 C N 1.411 120.621 119.300 -0.151 0.000 3.259 295 C HA 1.064 5.524 4.460 0.000 0.000 0.328 295 C C 0.503 175.443 174.990 -0.082 0.000 1.425 295 C CA -0.368 58.578 59.018 -0.120 0.000 1.465 295 C CB 0.874 28.600 27.740 -0.025 0.000 1.890 295 C HN 1.943 nan 8.230 nan 0.000 0.450 296 G N -0.223 108.555 108.800 -0.036 0.000 2.828 296 G HA2 0.351 4.311 3.960 0.000 0.000 0.463 296 G HA3 0.351 4.311 3.960 0.000 0.000 0.463 296 G C 0.713 175.630 174.900 0.029 0.000 1.394 296 G CA 0.017 45.111 45.100 -0.010 0.000 0.862 296 G HN 2.315 nan 8.290 nan 0.000 0.540 297 G N -0.352 108.469 108.800 0.036 0.000 2.475 297 G HA2 0.164 4.124 3.960 0.000 0.000 0.220 297 G HA3 0.164 4.124 3.960 0.000 0.000 0.220 297 G C 1.912 176.883 174.900 0.119 0.000 1.125 297 G CA 1.985 47.141 45.100 0.093 0.000 0.755 297 G HN 1.962 nan 8.290 nan 0.000 0.565 298 G N 0.729 109.538 108.800 0.015 0.000 2.471 298 G HA2 0.133 4.093 3.960 0.000 0.000 0.219 298 G HA3 0.133 4.093 3.960 0.000 0.000 0.219 298 G C 1.907 176.764 174.900 -0.071 0.000 1.125 298 G CA 1.216 46.311 45.100 -0.009 0.000 0.775 298 G HN 0.622 nan 8.290 nan 0.000 0.548 299 A N 0.412 123.117 122.820 -0.191 0.000 2.024 299 A HA 0.119 4.439 4.320 0.000 0.000 0.220 299 A C 1.837 179.144 177.584 -0.463 0.000 1.164 299 A CA 0.997 52.794 52.037 -0.400 0.000 0.643 299 A CB -0.424 18.204 19.000 -0.619 0.000 0.806 299 A HN 0.349 nan 8.150 nan 0.000 0.451 300 F N -0.440 119.480 119.950 -0.051 0.000 2.776 300 F HA 0.175 4.702 4.527 0.000 0.000 0.300 300 F C 0.962 176.763 175.800 0.002 0.000 1.116 300 F CA -0.269 57.713 58.000 -0.029 0.000 1.375 300 F CB -0.040 38.934 39.000 -0.044 0.000 1.109 300 F HN 0.118 nan 8.300 nan 0.000 0.585 301 N N 1.566 120.345 118.700 0.132 0.000 2.415 301 N HA 0.166 4.906 4.740 0.000 0.000 0.250 301 N C 1.033 176.574 175.510 0.051 0.000 1.127 301 N CA 0.342 53.456 53.050 0.107 0.000 0.945 301 N CB 1.156 39.698 38.487 0.091 0.000 1.196 301 N HN 0.169 nan 8.380 nan 0.000 0.499 302 A N 3.351 126.206 122.820 0.059 0.000 1.972 302 A HA -0.166 4.154 4.320 0.000 0.000 0.219 302 A C 1.919 179.510 177.584 0.013 0.000 1.169 302 A CA 1.424 53.477 52.037 0.027 0.000 0.635 302 A CB -0.288 18.733 19.000 0.036 0.000 0.810 302 A HN 0.707 nan 8.150 nan 0.000 0.446 303 E N -0.114 120.101 120.200 0.026 0.000 2.047 303 E HA -0.030 4.320 4.350 0.000 0.000 0.191 303 E C 1.095 177.692 176.600 -0.005 0.000 0.987 303 E CA 0.349 56.757 56.400 0.013 0.000 0.799 303 E CB -0.376 29.340 29.700 0.026 0.000 0.752 303 E HN 0.572 nan 8.360 nan 0.000 0.449 307 R N 0.482 120.948 120.500 -0.057 0.000 2.092 307 R HA 0.030 4.370 4.340 0.000 0.000 0.231 307 R C 1.775 178.008 176.300 -0.111 0.000 1.119 307 R CA 1.483 57.542 56.100 -0.070 0.000 0.970 307 R CB -0.130 30.139 30.300 -0.052 0.000 0.864 307 R HN 0.159 nan 8.270 nan 0.000 0.440 308 L N 0.768 121.921 121.223 -0.118 0.000 2.046 308 L HA -0.089 4.251 4.340 0.000 0.000 0.208 308 L C 2.344 179.127 176.870 -0.144 0.000 1.077 308 L CA 1.814 56.562 54.840 -0.152 0.000 0.747 308 L CB -0.873 41.096 42.059 -0.150 0.000 0.896 308 L HN 0.138 nan 8.230 nan 0.000 0.432 309 A N -0.682 122.071 122.820 -0.112 0.000 1.892 309 A HA -0.242 4.078 4.320 0.000 0.000 0.218 309 A C 2.433 179.971 177.584 -0.077 0.000 1.188 309 A CA 2.205 54.189 52.037 -0.088 0.000 0.631 309 A CB -1.152 17.805 19.000 -0.073 0.000 0.822 309 A HN 0.495 nan 8.150 nan 0.000 0.447 310 A N -1.351 121.422 122.820 -0.078 0.000 1.972 310 A HA 0.053 4.373 4.320 0.000 0.000 0.219 310 A C 1.899 179.430 177.584 -0.089 0.000 1.169 310 A CA 1.577 53.572 52.037 -0.070 0.000 0.635 310 A CB -0.355 18.608 19.000 -0.061 0.000 0.810 310 A HN 0.393 nan 8.150 nan 0.000 0.446 311 L N -1.094 120.049 121.223 -0.134 0.000 2.341 311 L HA 0.201 4.541 4.340 0.000 0.000 0.214 311 L C 0.663 177.455 176.870 -0.130 0.000 1.115 311 L CA 1.162 55.898 54.840 -0.174 0.000 0.820 311 L CB -0.484 41.406 42.059 -0.282 0.000 0.944 311 L HN 0.330 nan 8.230 nan 0.000 0.452 312 L N 1.085 122.246 121.223 -0.103 0.000 2.637 312 L HA 0.241 4.581 4.340 0.000 0.000 0.241 312 L C -1.376 175.523 176.870 0.050 0.000 1.398 312 L CA -0.802 54.014 54.840 -0.042 0.000 0.895 312 L CB 0.872 42.822 42.059 -0.182 0.000 1.183 312 L HN -0.067 nan 8.230 nan 0.000 0.497 313 P HA -0.096 nan 4.420 nan 0.000 0.223 313 P C 1.381 178.699 177.300 0.031 0.000 1.151 313 P CA 0.915 64.025 63.100 0.017 0.000 0.787 313 P CB 0.356 32.055 31.700 -0.001 0.000 0.788 314 G N -2.213 106.627 108.800 0.067 0.000 2.920 314 G HA2 -0.047 3.913 3.960 0.000 0.000 0.208 314 G HA3 -0.047 3.913 3.960 0.000 0.000 0.208 314 G C -0.153 174.698 174.900 -0.082 0.000 1.159 314 G CA 0.053 45.153 45.100 -0.000 0.000 0.784 314 G HN 0.198 nan 8.290 nan 0.000 0.535 315 Y N 0.092 120.346 120.300 -0.076 0.000 2.342 315 Y HA 0.425 4.975 4.550 0.000 0.000 0.334 315 Y C 0.738 176.561 175.900 -0.129 0.000 1.067 315 Y CA -1.442 56.596 58.100 -0.103 0.000 1.128 315 Y CB 1.104 39.492 38.460 -0.120 0.000 1.200 315 Y HN -0.108 nan 8.280 nan 0.000 0.464 316 R N 4.681 125.147 120.500 -0.057 0.000 2.389 316 R HA 0.418 4.758 4.340 0.000 0.000 0.295 316 R C -1.420 174.766 176.300 -0.191 0.000 1.075 316 R CA 0.070 56.098 56.100 -0.120 0.000 1.005 316 R CB -0.003 30.204 30.300 -0.153 0.000 0.987 316 R HN 0.805 nan 8.270 nan 0.000 0.452 317 I N 3.882 124.333 120.570 -0.197 0.000 2.465 317 I HA 0.347 4.517 4.170 0.000 0.000 0.291 317 I C -0.275 175.679 176.117 -0.271 0.000 1.014 317 I CA -0.592 60.557 61.300 -0.251 0.000 1.093 317 I CB 2.026 39.926 38.000 -0.167 0.000 1.267 317 I HN 0.619 nan 8.210 nan 0.000 0.431 318 D N 2.140 122.326 120.400 -0.356 0.000 2.677 318 D HA 0.330 4.970 4.640 0.000 0.000 0.298 318 D C -0.912 175.275 176.300 -0.188 0.000 1.250 318 D CA -0.138 53.718 54.000 -0.240 0.000 0.888 318 D CB 2.676 43.353 40.800 -0.205 0.000 1.397 318 D HN 0.543 nan 8.370 nan 0.000 0.461 319 T N -2.701 111.785 114.554 -0.114 0.000 2.881 319 T HA 0.296 4.646 4.350 0.000 0.000 0.278 319 T C 1.464 176.156 174.700 -0.015 0.000 0.982 319 T CA 0.189 62.215 62.100 -0.124 0.000 0.989 319 T CB 1.015 69.756 68.868 -0.213 0.000 1.058 319 T HN 0.404 nan 8.240 nan 0.000 0.529 320 T N -1.195 113.298 114.554 -0.102 0.000 3.025 320 T HA -0.080 4.270 4.350 0.000 0.000 0.270 320 T C 2.033 176.700 174.700 -0.054 0.000 1.126 320 T CA 1.145 63.132 62.100 -0.188 0.000 1.105 320 T CB -0.858 67.842 68.868 -0.281 0.000 0.884 320 T HN 0.494 nan 8.240 nan 0.000 0.522 321 S N 1.612 117.310 115.700 -0.003 0.000 2.387 321 S HA -0.019 4.451 4.470 0.000 0.000 0.230 321 S C 2.498 177.125 174.600 0.046 0.000 1.035 321 S CA 1.041 59.265 58.200 0.040 0.000 1.014 321 S CB -0.778 62.444 63.200 0.036 0.000 0.836 321 S HN 0.827 nan 8.310 nan 0.000 0.466 322 A N 0.489 123.348 122.820 0.065 0.000 2.070 322 A HA 0.076 4.396 4.320 0.000 0.000 0.220 322 A C 1.607 179.204 177.584 0.022 0.000 1.159 322 A CA 0.939 53.033 52.037 0.095 0.000 0.656 322 A CB -0.341 18.796 19.000 0.227 0.000 0.800 322 A HN 0.512 nan 8.150 nan 0.000 0.453 323 L N -1.328 119.850 121.223 -0.075 0.000 2.741 323 L HA 0.296 4.636 4.340 0.000 0.000 0.237 323 L C 1.402 178.306 176.870 0.057 0.000 1.178 323 L CA 0.351 55.131 54.840 -0.101 0.000 0.973 323 L CB -0.052 41.811 42.059 -0.327 0.000 1.255 323 L HN 0.508 nan 8.230 nan 0.000 0.498 324 G N 0.526 109.364 108.800 0.063 0.000 2.143 324 G HA2 -0.241 3.720 3.960 0.000 0.000 0.248 324 G HA3 -0.241 3.720 3.960 0.000 0.000 0.248 324 G C 0.003 174.986 174.900 0.138 0.000 0.991 324 G CA 0.126 45.279 45.100 0.088 0.000 0.689 324 G HN 0.163 nan 8.290 nan 0.000 0.522 325 V N 1.082 121.108 119.914 0.187 0.000 2.376 325 V HA 0.360 4.480 4.120 0.000 0.000 0.287 325 V C 0.103 176.332 176.094 0.225 0.000 1.015 325 V CA -1.252 61.203 62.300 0.258 0.000 0.834 325 V CB 1.764 33.845 31.823 0.431 0.000 1.001 325 V HN 0.337 nan 8.190 nan 0.000 0.428 326 D N 7.833 128.385 120.400 0.253 0.000 2.520 326 D HA 0.035 4.675 4.640 0.000 0.000 0.243 326 D C -1.290 175.132 176.300 0.203 0.000 1.160 326 D CA -1.102 53.055 54.000 0.262 0.000 0.877 326 D CB 1.977 43.041 40.800 0.441 0.000 1.150 326 D HN 0.238 nan 8.370 nan 0.000 0.494 327 P HA -0.167 nan 4.420 nan 0.000 0.219 327 P C 1.203 178.523 177.300 0.033 0.000 1.146 327 P CA 1.144 64.238 63.100 -0.011 0.000 0.808 327 P CB 0.228 31.752 31.700 -0.294 0.000 0.779 328 K N -1.388 119.025 120.400 0.021 0.000 2.217 328 K HA -0.107 4.213 4.320 0.000 0.000 0.202 328 K C 1.228 177.513 176.600 -0.524 0.000 1.051 328 K CA 1.103 57.180 56.287 -0.350 0.000 0.952 328 K CB -0.257 31.774 32.500 -0.783 0.000 0.736 328 K HN 0.182 nan 8.250 nan 0.000 0.453 329 W N -0.597 120.785 121.300 0.136 0.000 3.103 329 W HA 0.325 4.985 4.660 0.000 0.000 0.325 329 W C 1.821 178.416 176.519 0.127 0.000 1.170 329 W CA -0.132 57.275 57.345 0.104 0.000 1.712 329 W CB 0.334 29.847 29.460 0.088 0.000 1.068 329 W HN 0.021 nan 8.180 nan 0.000 0.592 330 A N 1.011 124.021 122.820 0.317 0.000 1.903 330 A HA -0.316 4.004 4.320 0.000 0.000 0.219 330 A C 1.817 179.557 177.584 0.260 0.000 1.191 330 A CA 2.344 54.589 52.037 0.347 0.000 0.638 330 A CB -0.716 18.508 19.000 0.374 0.000 0.823 330 A HN 0.420 nan 8.150 nan 0.000 0.451 331 E N -0.967 119.360 120.200 0.211 0.000 2.107 331 E HA -0.053 4.297 4.350 0.000 0.000 0.191 331 E C 2.073 178.809 176.600 0.227 0.000 0.982 331 E CA 0.822 57.332 56.400 0.184 0.000 0.809 331 E CB -0.391 29.398 29.700 0.149 0.000 0.756 331 E HN 0.534 nan 8.360 nan 0.000 0.459 332 G N 1.193 110.130 108.800 0.229 0.000 2.418 332 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 332 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 332 G C 1.557 176.570 174.900 0.189 0.000 1.158 332 G CA 0.823 46.069 45.100 0.243 0.000 0.771 332 G HN 0.234 nan 8.290 nan 0.000 0.545 333 I N 1.491 122.134 120.570 0.122 0.000 2.208 333 I HA -0.197 3.973 4.170 0.000 0.000 0.245 333 I C 3.277 179.227 176.117 -0.278 0.000 1.097 333 I CA 0.956 62.272 61.300 0.026 0.000 1.363 333 I CB -0.223 37.831 38.000 0.090 0.000 1.051 333 I HN 0.239 nan 8.210 nan 0.000 0.413 334 A N 0.587 123.016 122.820 -0.652 0.000 1.940 334 A HA -0.201 4.119 4.320 0.000 0.000 0.219 334 A C 2.068 179.306 177.584 -0.576 0.000 1.176 334 A CA 1.614 52.996 52.037 -1.091 0.000 0.631 334 A CB -0.889 17.609 19.000 -0.837 0.000 0.814 334 A HN 0.365 nan 8.150 nan 0.000 0.446 335 F N -0.232 119.601 119.950 -0.195 0.000 2.234 335 F HA 0.066 4.593 4.527 -0.000 0.000 0.296 335 F C 2.720 178.505 175.800 -0.025 0.000 1.089 335 F CA 0.755 58.675 58.000 -0.133 0.000 1.343 335 F CB -0.316 38.687 39.000 0.004 0.000 1.040 335 F HN 0.250 nan 8.300 nan 0.000 0.498 336 A N -0.554 122.401 122.820 0.226 0.000 1.908 336 A HA -0.282 4.038 4.320 0.000 0.000 0.218 336 A C 2.022 179.693 177.584 0.144 0.000 1.181 336 A CA 1.634 53.860 52.037 0.315 0.000 0.627 336 A CB -1.619 17.640 19.000 0.432 0.000 0.818 336 A HN 0.646 nan 8.150 nan 0.000 0.445 337 W N 0.532 121.703 121.300 -0.216 0.000 2.363 337 W HA -0.137 4.523 4.660 -0.000 0.000 0.296 337 W C 1.708 177.900 176.519 -0.545 0.000 1.212 337 W CA 1.741 58.677 57.345 -0.681 0.000 1.260 337 W CB -0.163 28.939 29.460 -0.598 0.000 1.131 337 W HN 0.262 nan 8.180 nan 0.000 0.530 338 L N 0.479 121.545 121.223 -0.262 0.000 2.083 338 L HA -0.083 4.257 4.340 0.000 0.000 0.209 338 L C 2.083 178.840 176.870 -0.188 0.000 1.083 338 L CA 0.627 55.208 54.840 -0.431 0.000 0.752 338 L CB -1.532 39.916 42.059 -1.018 0.000 0.899 338 L HN 0.006 nan 8.230 nan 0.000 0.433 342 Y N 2.975 123.192 120.300 -0.139 0.000 2.081 342 Y HA -0.321 4.229 4.550 0.000 0.000 0.280 342 Y C 2.689 178.581 175.900 -0.013 0.000 1.163 342 Y CA 2.874 60.964 58.100 -0.016 0.000 1.135 342 Y CB 0.060 38.578 38.460 0.096 0.000 0.970 342 Y HN 0.136 nan 8.280 nan 0.000 0.498 343 Q N 0.599 120.583 119.800 0.307 0.000 2.112 343 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 343 Q C 1.685 177.729 176.000 0.073 0.000 0.987 343 Q CA 2.260 58.210 55.803 0.245 0.000 0.858 343 Q CB -0.503 28.422 28.738 0.310 0.000 0.905 343 Q HN 0.658 nan 8.270 nan 0.000 0.420 344 L N -1.118 120.093 121.223 -0.020 0.000 2.591 344 L HA 0.251 4.591 4.340 0.000 0.000 0.228 344 L C 0.938 177.742 176.870 -0.110 0.000 1.133 344 L CA 0.311 55.111 54.840 -0.067 0.000 0.880 344 L CB -0.421 41.574 42.059 -0.108 0.000 1.033 344 L HN 0.528 nan 8.230 nan 0.000 0.450 345 G N 1.334 110.039 108.800 -0.159 0.000 2.246 345 G HA2 -0.272 3.688 3.960 0.000 0.000 0.273 345 G HA3 -0.272 3.688 3.960 0.000 0.000 0.273 345 G C -0.192 174.608 174.900 -0.167 0.000 1.055 345 G CA 0.062 45.044 45.100 -0.196 0.000 0.851 345 G HN 0.282 nan 8.290 nan 0.000 0.500 346 L N 0.500 121.615 121.223 -0.179 0.000 2.342 346 L HA 0.621 4.961 4.340 0.000 0.000 0.271 346 L C -1.686 175.099 176.870 -0.142 0.000 1.008 346 L CA -2.632 52.114 54.840 -0.157 0.000 0.818 346 L CB 2.325 44.271 42.059 -0.189 0.000 1.296 346 L HN -0.054 nan 8.230 nan 0.000 0.427 347 P HA 0.159 nan 4.420 nan 0.000 0.274 347 P C -0.430 176.857 177.300 -0.022 0.000 1.246 347 P CA -0.240 62.839 63.100 -0.035 0.000 0.795 347 P CB 1.728 33.424 31.700 -0.006 0.000 1.006 348 A N 0.622 123.467 122.820 0.042 0.000 2.425 348 A HA 0.120 4.440 4.320 0.000 0.000 0.201 348 A C 0.764 178.434 177.584 0.143 0.000 1.431 348 A CA -0.099 52.009 52.037 0.118 0.000 1.066 348 A CB -0.389 18.661 19.000 0.084 0.000 1.318 348 A HN 0.691 nan 8.150 nan 0.000 0.534 349 N N 0.393 119.158 118.700 0.107 0.000 2.434 349 N HA 0.520 5.260 4.740 0.000 0.000 0.266 349 N C -0.842 174.720 175.510 0.087 0.000 1.223 349 N CA -0.099 53.011 53.050 0.099 0.000 0.972 349 N CB 0.898 39.448 38.487 0.106 0.000 1.207 349 N HN 0.158 nan 8.380 nan 0.000 0.525 350 L N 0.257 121.531 121.223 0.083 0.000 2.406 350 L HA 0.332 4.672 4.340 0.000 0.000 0.272 350 L C -1.739 175.182 176.870 0.085 0.000 0.980 350 L CA -1.833 53.053 54.840 0.077 0.000 0.831 350 L CB 2.576 44.677 42.059 0.070 0.000 1.253 350 L HN 0.337 nan 8.230 nan 0.000 0.406 351 P HA -0.257 nan 4.420 nan 0.000 0.216 351 P C 1.350 178.707 177.300 0.096 0.000 1.157 351 P CA 1.653 64.802 63.100 0.080 0.000 0.880 351 P CB 0.305 32.044 31.700 0.066 0.000 0.791 352 A N -1.369 121.511 122.820 0.100 0.000 2.121 352 A HA -0.087 4.233 4.320 0.000 0.000 0.218 352 A C 2.218 179.897 177.584 0.158 0.000 1.154 352 A CA 1.351 53.465 52.037 0.128 0.000 0.679 352 A CB -1.325 17.748 19.000 0.122 0.000 0.795 352 A HN 0.073 nan 8.150 nan 0.000 0.458 353 V N -0.463 119.533 119.914 0.137 0.000 2.341 353 V HA -0.106 4.015 4.120 0.000 0.000 0.240 353 V C 2.800 178.999 176.094 0.174 0.000 1.035 353 V CA 2.239 64.631 62.300 0.153 0.000 1.033 353 V CB -0.554 31.338 31.823 0.114 0.000 0.678 353 V HN 0.759 nan 8.190 nan 0.000 0.464 354 T N -3.258 111.383 114.554 0.144 0.000 3.037 354 T HA 0.311 4.661 4.350 0.000 0.000 0.251 354 T C 1.549 176.324 174.700 0.125 0.000 1.079 354 T CA 1.082 63.269 62.100 0.145 0.000 1.067 354 T CB 0.842 69.790 68.868 0.133 0.000 0.948 354 T HN 0.981 nan 8.240 nan 0.000 0.496 355 G N 1.554 110.420 108.800 0.111 0.000 2.176 355 G HA2 -0.061 3.899 3.960 0.000 0.000 0.253 355 G HA3 -0.061 3.899 3.960 0.000 0.000 0.253 355 G C 0.416 175.359 174.900 0.073 0.000 0.979 355 G CA -0.006 45.145 45.100 0.085 0.000 0.641 355 G HN 1.216 nan 8.290 nan 0.000 0.530 356 A N 0.527 123.395 122.820 0.080 0.000 2.507 356 A HA 0.589 4.909 4.320 0.000 0.000 0.235 356 A C 1.863 179.482 177.584 0.059 0.000 1.070 356 A CA 1.374 53.453 52.037 0.071 0.000 0.768 356 A CB 0.216 19.263 19.000 0.078 0.000 1.011 356 A HN 1.727 nan 8.150 nan 0.000 0.502 357 S N 0.947 116.677 115.700 0.050 0.000 2.453 357 S HA 0.041 4.511 4.470 0.000 0.000 0.231 357 S C 0.723 175.347 174.600 0.040 0.000 1.005 357 S CA 0.829 59.054 58.200 0.041 0.000 0.949 357 S CB -0.325 62.896 63.200 0.034 0.000 0.774 357 S HN 1.039 nan 8.310 nan 0.000 0.510 358 R N -0.141 120.385 120.500 0.044 0.000 2.733 358 R HA 0.442 4.782 4.340 0.000 0.000 0.272 358 R C -1.873 174.454 176.300 0.046 0.000 1.029 358 R CA -1.040 55.084 56.100 0.040 0.000 0.888 358 R CB 0.664 30.982 30.300 0.031 0.000 1.251 358 R HN 0.082 nan 8.270 nan 0.000 0.464 359 E N 0.394 120.619 120.200 0.041 0.000 2.360 359 E HA 0.450 4.800 4.350 0.000 0.000 0.269 359 E C -0.575 176.045 176.600 0.034 0.000 1.022 359 E CA -0.124 56.302 56.400 0.042 0.000 0.887 359 E CB 1.361 31.082 29.700 0.036 0.000 0.990 359 E HN 0.600 nan 8.360 nan 0.000 0.426 360 A N 3.134 125.978 122.820 0.041 0.000 2.594 360 A HA 0.521 4.841 4.320 0.000 0.000 0.291 360 A C -0.735 176.869 177.584 0.034 0.000 1.105 360 A CA -0.814 51.242 52.037 0.032 0.000 0.694 360 A CB 0.977 20.005 19.000 0.047 0.000 1.291 360 A HN 0.565 nan 8.150 nan 0.000 0.410 361 I N 1.413 121.989 120.570 0.009 0.000 2.471 361 I HA 0.191 4.361 4.170 0.000 0.000 0.286 361 I C -0.594 175.590 176.117 0.112 0.000 1.079 361 I CA 0.190 61.494 61.300 0.006 0.000 1.398 361 I CB 0.465 38.390 38.000 -0.124 0.000 1.403 361 I HN 0.398 nan 8.210 nan 0.000 0.530 362 L N 6.247 127.602 121.223 0.220 0.000 2.322 362 L HA 0.803 5.143 4.340 0.000 0.000 0.279 362 L C 0.552 177.687 176.870 0.442 0.000 1.036 362 L CA -0.493 54.545 54.840 0.330 0.000 0.807 362 L CB 1.400 43.696 42.059 0.395 0.000 1.226 362 L HN 0.875 nan 8.230 nan 0.000 0.433 363 G N 1.507 110.432 108.800 0.209 0.000 2.612 363 G HA2 0.179 4.139 3.960 0.000 0.000 0.686 363 G HA3 0.179 4.139 3.960 0.000 0.000 0.686 363 G C -0.613 174.260 174.900 -0.045 0.000 1.274 363 G CA -0.530 44.480 45.100 -0.150 0.000 0.849 363 G HN 0.985 nan 8.290 nan 0.000 0.595 364 G N -0.655 108.024 108.800 -0.202 0.000 2.482 364 G HA2 0.742 4.702 3.960 0.000 0.000 0.317 364 G HA3 0.742 4.702 3.960 0.000 0.000 0.317 364 G C -0.273 174.344 174.900 -0.472 0.000 1.241 364 G CA -0.350 44.601 45.100 -0.248 0.000 0.967 364 G HN 0.745 nan 8.290 nan 0.000 0.482 365 R N 1.189 121.316 120.500 -0.621 0.000 2.294 365 R HA 0.501 4.841 4.340 0.000 0.000 0.319 365 R C -1.370 174.607 176.300 -0.540 0.000 0.984 365 R CA -0.515 55.285 56.100 -0.500 0.000 0.861 365 R CB 0.584 30.657 30.300 -0.379 0.000 1.104 365 R HN 0.285 nan 8.270 nan 0.000 0.451 366 F N 1.922 121.796 119.950 -0.126 0.000 2.426 366 F HA 0.257 4.784 4.527 -0.000 0.000 0.348 366 F C 0.696 176.471 175.800 -0.042 0.000 1.124 366 F CA -0.587 57.370 58.000 -0.070 0.000 1.008 366 F CB 2.067 41.025 39.000 -0.071 0.000 1.139 366 F HN 0.380 nan 8.300 nan 0.000 0.452 367 S N 1.836 117.591 115.700 0.091 0.000 2.548 367 S HA 0.460 4.930 4.470 0.000 0.000 0.277 367 S C 1.108 175.752 174.600 0.073 0.000 1.315 367 S CA -0.076 58.160 58.200 0.060 0.000 1.050 367 S CB 0.969 64.187 63.200 0.030 0.000 0.918 367 S HN 0.802 nan 8.310 nan 0.000 0.497 368 A N 5.284 128.138 122.820 0.057 0.000 2.119 368 A HA 0.107 4.427 4.320 0.000 0.000 0.217 368 A C 1.150 178.754 177.584 0.033 0.000 1.153 368 A CA 0.753 52.817 52.037 0.045 0.000 0.692 368 A CB -0.222 18.800 19.000 0.038 0.000 0.799 368 A HN 0.814 nan 8.150 nan 0.000 0.458 369 K N 0.000 120.418 120.400 0.030 0.000 2.780 369 K HA 0.000 4.320 4.320 0.000 0.000 0.191 369 K CA 0.000 56.300 56.287 0.022 0.000 0.838 369 K CB 0.000 32.511 32.500 0.018 0.000 1.064 369 K HN 0.000 nan 8.250 nan 0.000 0.543