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 1lc7_1_A DATA FIRST_RESID 4 DATA SEQUENCE FNTAHGGNIR EPATVLGISP DQLLDFSANI NPLGMPVSVK RALIDNLDCI DATA SEQUENCE ERYPDADYFH LHQALARHHQ VPASWILAGN GETESIFTVA SGLKPRRAMI DATA SEQUENCE VTPGFAEYGR ALAQSGCEIR RWSLREADGW QLTDAILEAL TPDLDCLFLC DATA SEQUENCE TPNNPTGLLP ERPLLQAIAD RCKSLNINLI LDEAFIDFIP HETGFIPALK DATA SEQUENCE DNPHIWVLRS LTKFYAIPGL RLGYLVNSDD AAMARMRRQQ MPWSVNALAA DATA SEQUENCE LAGEVALQDS AWQQATWHWL REEGARFYQA LCQLPLLTVY PGRANYLLLR DATA SEQUENCE CEREDIDLQR RLLTQRILIR SCANYPGLDS RYYRVAIRSA AQNERLLAAL DATA SEQUENCE RNVLTGIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.810 175.800 0.016 0.000 0.967 4 F CA 0.000 58.012 58.000 0.020 0.000 1.383 4 F CB 0.000 39.014 39.000 0.023 0.000 1.145 5 N N 0.241 119.160 118.700 0.364 0.000 2.617 5 N HA 0.546 5.289 4.740 0.005 0.000 0.263 5 N C -1.414 174.207 175.510 0.186 0.000 1.074 5 N CA -0.187 52.996 53.050 0.221 0.000 0.841 5 N CB 1.651 40.183 38.487 0.075 0.000 1.221 5 N HN 0.975 nan 8.380 nan 0.000 0.529 6 T N 0.208 114.898 114.554 0.227 0.000 2.867 6 T HA 0.625 4.979 4.350 0.005 0.000 0.282 6 T C 1.416 176.085 174.700 -0.052 0.000 1.000 6 T CA 0.532 62.660 62.100 0.047 0.000 1.042 6 T CB 1.001 69.865 68.868 -0.006 0.000 0.973 6 T HN 0.801 nan 8.240 nan 0.000 0.465 7 A N 4.113 126.830 122.820 -0.172 0.000 2.014 7 A HA 0.132 4.455 4.320 0.005 0.000 0.218 7 A C 0.825 178.032 177.584 -0.629 0.000 1.163 7 A CA 1.025 52.808 52.037 -0.423 0.000 0.652 7 A CB -0.276 18.427 19.000 -0.495 0.000 0.808 7 A HN 0.872 nan 8.150 nan 0.000 0.449 8 H N -2.382 116.675 119.070 -0.022 0.000 2.928 8 H HA 0.475 5.034 4.556 0.006 0.000 0.371 8 H C 0.585 175.953 175.328 0.067 0.000 1.186 8 H CA -0.445 55.626 56.048 0.038 0.000 1.134 8 H CB 1.006 30.807 29.762 0.065 0.000 1.824 8 H HN 0.233 nan 8.280 nan 0.000 0.554 9 G N -0.736 108.216 108.800 0.254 0.000 2.611 9 G HA2 0.351 4.314 3.960 0.005 0.000 0.273 9 G HA3 0.351 4.314 3.960 0.005 0.000 0.273 9 G C 0.807 175.789 174.900 0.137 0.000 1.305 9 G CA 0.166 45.379 45.100 0.187 0.000 1.010 9 G HN 0.942 nan 8.290 nan 0.000 0.509 10 G N -0.703 108.162 108.800 0.107 0.000 2.162 10 G HA2 -0.318 3.645 3.960 0.005 0.000 0.260 10 G HA3 -0.318 3.645 3.960 0.005 0.000 0.260 10 G C 0.685 175.603 174.900 0.030 0.000 0.976 10 G CA 0.661 45.803 45.100 0.070 0.000 0.655 10 G HN 1.356 nan 8.290 nan 0.000 0.533 11 N N 1.302 120.001 118.700 -0.002 0.000 3.254 11 N HA 0.205 4.948 4.740 0.005 0.000 0.308 11 N C 1.716 177.168 175.510 -0.097 0.000 1.281 11 N CA 0.192 53.194 53.050 -0.079 0.000 1.212 11 N CB -0.538 37.841 38.487 -0.181 0.000 1.478 11 N HN 0.786 nan 8.380 nan 0.000 0.548 12 I N -2.748 117.802 120.570 -0.034 0.000 2.394 12 I HA -0.103 4.071 4.170 0.005 0.000 0.251 12 I C 2.302 178.401 176.117 -0.030 0.000 1.136 12 I CA 0.499 61.789 61.300 -0.016 0.000 1.425 12 I CB -0.143 37.863 38.000 0.011 0.000 1.079 12 I HN 0.092 nan 8.210 nan 0.000 0.425 13 R N 1.659 122.136 120.500 -0.038 0.000 2.075 13 R HA -0.200 4.143 4.340 0.005 0.000 0.232 13 R C 2.168 178.434 176.300 -0.057 0.000 1.126 13 R CA 2.154 58.234 56.100 -0.034 0.000 0.963 13 R CB -0.467 29.815 30.300 -0.029 0.000 0.858 13 R HN 0.629 nan 8.270 nan 0.000 0.435 14 E N -0.420 119.714 120.200 -0.110 0.000 2.072 14 E HA -0.085 4.268 4.350 0.005 0.000 0.191 14 E C -0.879 175.619 176.600 -0.169 0.000 0.985 14 E CA 1.122 57.425 56.400 -0.162 0.000 0.801 14 E CB -0.517 29.016 29.700 -0.279 0.000 0.750 14 E HN 0.352 nan 8.360 nan 0.000 0.452 15 P HA -0.018 nan 4.420 nan 0.000 0.215 15 P C 1.523 178.856 177.300 0.055 0.000 1.157 15 P CA 2.437 65.514 63.100 -0.038 0.000 0.859 15 P CB -0.324 31.390 31.700 0.025 0.000 0.786 16 A N -1.054 121.781 122.820 0.025 0.000 1.902 16 A HA -0.147 4.176 4.320 0.005 0.000 0.217 16 A C 2.445 180.050 177.584 0.035 0.000 1.181 16 A CA 2.793 54.852 52.037 0.036 0.000 0.623 16 A CB -1.678 17.335 19.000 0.022 0.000 0.818 16 A HN 0.323 nan 8.150 nan 0.000 0.443 17 T N -0.445 114.120 114.554 0.019 0.000 2.833 17 T HA -0.099 4.254 4.350 0.005 0.000 0.269 17 T C 1.796 176.523 174.700 0.046 0.000 1.054 17 T CA 1.391 63.505 62.100 0.023 0.000 1.135 17 T CB -0.332 68.540 68.868 0.007 0.000 0.869 17 T HN 0.152 nan 8.240 nan 0.000 0.466 18 V N 1.249 121.208 119.914 0.075 0.000 2.490 18 V HA -0.064 4.059 4.120 0.005 0.000 0.250 18 V C 2.174 178.322 176.094 0.090 0.000 1.061 18 V CA 1.447 63.816 62.300 0.115 0.000 1.064 18 V CB -0.434 31.521 31.823 0.221 0.000 0.670 18 V HN 0.485 nan 8.190 nan 0.000 0.461 19 L N -0.386 120.885 121.223 0.080 0.000 2.529 19 L HA 0.343 4.686 4.340 0.005 0.000 0.223 19 L C 1.651 178.548 176.870 0.045 0.000 1.113 19 L CA 0.826 55.703 54.840 0.063 0.000 0.861 19 L CB -0.223 41.876 42.059 0.065 0.000 1.012 19 L HN 0.498 nan 8.230 nan 0.000 0.461 20 G N 1.703 110.528 108.800 0.041 0.000 2.149 20 G HA2 -0.254 3.709 3.960 0.005 0.000 0.235 20 G HA3 -0.254 3.709 3.960 0.005 0.000 0.235 20 G C 0.113 175.029 174.900 0.027 0.000 1.018 20 G CA 0.508 45.626 45.100 0.030 0.000 0.728 20 G HN 0.447 nan 8.290 nan 0.000 0.508 21 I N -2.673 117.914 120.570 0.029 0.000 3.206 21 I HA 0.893 5.066 4.170 0.005 0.000 0.313 21 I C 0.473 176.603 176.117 0.022 0.000 1.103 21 I CA -0.797 60.519 61.300 0.026 0.000 0.985 21 I CB 1.923 39.942 38.000 0.031 0.000 1.240 21 I HN 0.266 nan 8.210 nan 0.000 0.464 22 S N 0.874 116.586 115.700 0.020 0.000 2.565 22 S HA 0.390 4.863 4.470 0.005 0.000 0.274 22 S C -2.025 172.587 174.600 0.019 0.000 1.309 22 S CA -0.997 57.213 58.200 0.016 0.000 1.043 22 S CB 0.872 64.080 63.200 0.014 0.000 0.939 22 S HN 0.573 nan 8.310 nan 0.000 0.504 23 P HA -0.138 nan 4.420 nan 0.000 0.219 23 P C 0.753 178.066 177.300 0.021 0.000 1.146 23 P CA 1.289 64.399 63.100 0.017 0.000 0.808 23 P CB -0.156 31.548 31.700 0.007 0.000 0.779 24 D N -1.557 118.853 120.400 0.017 0.000 2.378 24 D HA -0.139 4.505 4.640 0.005 0.000 0.227 24 D C 1.395 177.710 176.300 0.025 0.000 1.012 24 D CA 0.770 54.781 54.000 0.018 0.000 0.905 24 D CB -0.853 39.955 40.800 0.013 0.000 0.895 24 D HN 0.151 nan 8.370 nan 0.000 0.532 25 Q N -0.178 119.639 119.800 0.029 0.000 2.360 25 Q HA 0.255 4.599 4.340 0.005 0.000 0.202 25 Q C 0.423 176.451 176.000 0.047 0.000 0.915 25 Q CA 0.055 55.879 55.803 0.035 0.000 0.943 25 Q CB 0.916 29.674 28.738 0.033 0.000 1.064 25 Q HN 0.414 nan 8.270 nan 0.000 0.511 26 L N 1.000 122.255 121.223 0.052 0.000 2.334 26 L HA 0.362 4.706 4.340 0.005 0.000 0.275 26 L C -0.417 176.502 176.870 0.082 0.000 1.036 26 L CA -1.053 53.831 54.840 0.072 0.000 0.807 26 L CB 1.157 43.262 42.059 0.077 0.000 1.231 26 L HN -0.034 nan 8.230 nan 0.000 0.438 27 L N 2.371 123.666 121.223 0.120 0.000 2.265 27 L HA 0.391 4.734 4.340 0.005 0.000 0.289 27 L C -0.670 176.324 176.870 0.206 0.000 1.033 27 L CA -0.033 54.898 54.840 0.152 0.000 0.814 27 L CB 0.994 43.184 42.059 0.218 0.000 1.203 27 L HN 0.391 nan 8.230 nan 0.000 0.423 28 D N 3.866 124.328 120.400 0.104 0.000 2.317 28 D HA 0.205 4.848 4.640 0.005 0.000 0.234 28 D C -0.175 176.127 176.300 0.004 0.000 1.112 28 D CA 0.155 54.218 54.000 0.104 0.000 0.840 28 D CB 0.479 41.308 40.800 0.049 0.000 1.078 28 D HN 0.466 nan 8.370 nan 0.000 0.486 29 F N 1.239 121.255 119.950 0.110 0.000 2.654 29 F HA 0.075 4.606 4.527 0.006 0.000 0.303 29 F C 2.078 177.967 175.800 0.148 0.000 1.099 29 F CA -0.131 57.949 58.000 0.133 0.000 1.270 29 F CB 0.464 39.554 39.000 0.150 0.000 1.024 29 F HN 0.356 nan 8.300 nan 0.000 0.548 30 S N -0.764 115.084 115.700 0.246 0.000 2.548 30 S HA 0.531 5.005 4.470 0.005 0.000 0.215 30 S C 0.715 175.413 174.600 0.165 0.000 0.976 30 S CA 0.131 58.463 58.200 0.220 0.000 0.908 30 S CB 0.064 63.395 63.200 0.218 0.000 0.781 30 S HN 0.051 nan 8.310 nan 0.000 0.519 31 A N 1.514 124.408 122.820 0.123 0.000 2.374 31 A HA 0.729 5.052 4.320 0.005 0.000 0.317 31 A C -0.750 176.894 177.584 0.100 0.000 1.094 31 A CA -0.962 51.139 52.037 0.107 0.000 0.765 31 A CB 0.893 19.944 19.000 0.086 0.000 1.268 31 A HN 0.291 nan 8.150 nan 0.000 0.438 32 N N 2.282 121.064 118.700 0.138 0.000 3.194 32 N HA 0.268 5.011 4.740 0.005 0.000 0.271 32 N C -0.912 174.745 175.510 0.246 0.000 1.308 32 N CA -0.081 53.077 53.050 0.180 0.000 1.042 32 N CB 0.625 39.214 38.487 0.171 0.000 1.310 32 N HN 0.445 nan 8.380 nan 0.000 0.502 33 I N 0.670 121.338 120.570 0.164 0.000 2.392 33 I HA 0.184 4.357 4.170 0.005 0.000 0.295 33 I C 1.008 177.223 176.117 0.163 0.000 0.985 33 I CA -0.933 60.478 61.300 0.185 0.000 1.221 33 I CB 0.841 38.902 38.000 0.101 0.000 1.366 33 I HN 0.271 nan 8.210 nan 0.000 0.467 34 N N 8.190 127.051 118.700 0.270 0.000 2.294 34 N HA -0.018 4.725 4.740 0.005 0.000 0.263 34 N C -1.383 174.053 175.510 -0.123 0.000 1.281 34 N CA -0.707 52.413 53.050 0.116 0.000 0.846 34 N CB 0.922 39.486 38.487 0.128 0.000 1.061 34 N HN 0.404 nan 8.380 nan 0.000 0.478 35 P HA -0.092 nan 4.420 nan 0.000 0.225 35 P C 1.475 178.567 177.300 -0.347 0.000 1.156 35 P CA 0.749 63.629 63.100 -0.366 0.000 0.787 35 P CB -0.043 31.369 31.700 -0.481 0.000 0.802 36 L N -0.478 120.471 121.223 -0.458 0.000 2.265 36 L HA 0.191 4.534 4.340 0.005 0.000 0.215 36 L C 1.448 178.277 176.870 -0.070 0.000 1.117 36 L CA 1.646 56.277 54.840 -0.348 0.000 0.782 36 L CB -2.139 39.556 42.059 -0.607 0.000 0.914 36 L HN 0.397 nan 8.230 nan 0.000 0.441 37 G N -2.134 106.673 108.800 0.011 0.000 2.698 37 G HA2 -0.117 3.846 3.960 0.005 0.000 0.225 37 G HA3 -0.117 3.846 3.960 0.005 0.000 0.225 37 G C -0.007 175.018 174.900 0.209 0.000 1.345 37 G CA -0.044 45.107 45.100 0.086 0.000 0.871 37 G HN 1.285 nan 8.290 nan 0.000 0.540 38 M N 1.471 121.119 119.600 0.080 0.000 2.246 38 M HA 0.372 4.855 4.480 0.005 0.000 0.350 38 M C -1.784 174.458 176.300 -0.097 0.000 1.406 38 M CA -1.112 54.173 55.300 -0.025 0.000 1.089 38 M CB 0.328 32.903 32.600 -0.042 0.000 1.782 38 M HN 0.335 nan 8.290 nan 0.000 0.457 39 P HA 0.019 nan 4.420 nan 0.000 0.265 39 P C 0.696 177.883 177.300 -0.189 0.000 1.193 39 P CA 0.041 62.848 63.100 -0.488 0.000 0.765 39 P CB 0.360 31.554 31.700 -0.843 0.000 0.823 40 V N 3.466 123.343 119.914 -0.062 0.000 2.250 40 V HA -0.382 3.741 4.120 0.005 0.000 0.250 40 V C 2.302 178.352 176.094 -0.073 0.000 1.060 40 V CA 3.157 65.432 62.300 -0.040 0.000 1.030 40 V CB -1.807 30.016 31.823 -0.001 0.000 0.643 40 V HN 0.606 nan 8.190 nan 0.000 0.445 41 S N -0.745 114.901 115.700 -0.091 0.000 2.383 41 S HA -0.199 4.274 4.470 0.005 0.000 0.229 41 S C 2.000 176.528 174.600 -0.121 0.000 1.030 41 S CA 1.651 59.792 58.200 -0.098 0.000 1.002 41 S CB -0.727 62.409 63.200 -0.107 0.000 0.829 41 S HN 0.624 nan 8.310 nan 0.000 0.467 42 V N 2.743 122.556 119.914 -0.167 0.000 2.295 42 V HA -0.164 3.959 4.120 0.005 0.000 0.246 42 V C 3.265 179.288 176.094 -0.117 0.000 1.049 42 V CA 2.367 64.565 62.300 -0.170 0.000 1.024 42 V CB -1.510 30.177 31.823 -0.226 0.000 0.648 42 V HN 0.801 nan 8.190 nan 0.000 0.447 43 K N 0.187 120.527 120.400 -0.100 0.000 2.063 43 K HA -0.226 4.098 4.320 0.005 0.000 0.208 43 K C 2.355 178.920 176.600 -0.059 0.000 1.048 43 K CA 2.340 58.585 56.287 -0.070 0.000 0.928 43 K CB -1.261 31.206 32.500 -0.054 0.000 0.713 43 K HN 0.588 nan 8.250 nan 0.000 0.442 44 R N 0.335 120.799 120.500 -0.059 0.000 2.073 44 R HA 0.309 4.652 4.340 0.005 0.000 0.234 44 R C 2.832 179.101 176.300 -0.051 0.000 1.134 44 R CA 1.964 58.035 56.100 -0.049 0.000 0.952 44 R CB -1.506 28.767 30.300 -0.046 0.000 0.850 44 R HN 0.853 nan 8.270 nan 0.000 0.433 45 A N 0.933 123.715 122.820 -0.064 0.000 1.902 45 A HA 0.014 4.338 4.320 0.005 0.000 0.217 45 A C 2.514 180.064 177.584 -0.056 0.000 1.181 45 A CA 1.494 53.493 52.037 -0.063 0.000 0.623 45 A CB -0.361 18.591 19.000 -0.080 0.000 0.818 45 A HN 0.471 nan 8.150 nan 0.000 0.443 46 L N -0.389 120.798 121.223 -0.060 0.000 2.017 46 L HA -0.176 4.168 4.340 0.005 0.000 0.208 46 L C 2.421 179.266 176.870 -0.042 0.000 1.073 46 L CA 0.848 55.657 54.840 -0.052 0.000 0.745 46 L CB -0.499 41.527 42.059 -0.054 0.000 0.894 46 L HN 0.309 nan 8.230 nan 0.000 0.432 47 I N -0.039 120.507 120.570 -0.040 0.000 2.252 47 I HA -0.254 3.920 4.170 0.005 0.000 0.245 47 I C 2.075 178.173 176.117 -0.031 0.000 1.102 47 I CA 1.496 62.775 61.300 -0.034 0.000 1.385 47 I CB -1.152 36.829 38.000 -0.031 0.000 1.064 47 I HN 0.282 nan 8.210 nan 0.000 0.414 48 D N 0.775 121.155 120.400 -0.033 0.000 2.178 48 D HA -0.095 4.548 4.640 0.005 0.000 0.202 48 D C 1.216 177.499 176.300 -0.029 0.000 0.974 48 D CA 0.902 54.884 54.000 -0.029 0.000 0.841 48 D CB -0.203 40.579 40.800 -0.030 0.000 0.953 48 D HN 0.380 nan 8.370 nan 0.000 0.478 49 N N 0.440 119.121 118.700 -0.032 0.000 2.328 49 N HA 0.051 4.794 4.740 0.005 0.000 0.247 49 N C 1.268 176.760 175.510 -0.031 0.000 1.165 49 N CA -0.091 52.941 53.050 -0.029 0.000 0.873 49 N CB 1.089 39.558 38.487 -0.030 0.000 1.125 49 N HN 0.061 nan 8.380 nan 0.000 0.513 50 L N 2.022 123.226 121.223 -0.032 0.000 2.127 50 L HA -0.159 4.184 4.340 0.005 0.000 0.211 50 L C 2.161 179.010 176.870 -0.035 0.000 1.089 50 L CA 2.233 57.053 54.840 -0.034 0.000 0.757 50 L CB -0.629 41.410 42.059 -0.033 0.000 0.899 50 L HN 0.289 nan 8.230 nan 0.000 0.434 51 D N -1.543 118.838 120.400 -0.033 0.000 2.351 51 D HA -0.228 4.416 4.640 0.005 0.000 0.216 51 D C 2.136 178.413 176.300 -0.037 0.000 0.968 51 D CA 1.138 55.118 54.000 -0.035 0.000 0.899 51 D CB -1.306 39.476 40.800 -0.029 0.000 0.907 51 D HN 0.763 nan 8.370 nan 0.000 0.514 52 C N 0.002 119.282 119.300 -0.034 0.000 2.449 52 C HA 0.144 4.608 4.460 0.005 0.000 0.283 52 C C 2.553 177.514 174.990 -0.047 0.000 1.453 52 C CA 0.423 59.422 59.018 -0.032 0.000 1.779 52 C CB -1.951 25.777 27.740 -0.021 0.000 1.779 52 C HN 0.721 nan 8.230 nan 0.000 0.546 53 I N -0.794 119.742 120.570 -0.058 0.000 3.291 53 I HA 0.085 4.258 4.170 0.005 0.000 0.279 53 I C 2.081 178.128 176.117 -0.116 0.000 1.294 53 I CA 1.045 62.295 61.300 -0.084 0.000 1.428 53 I CB -0.773 37.181 38.000 -0.076 0.000 1.070 53 I HN 0.287 nan 8.210 nan 0.000 0.478 54 E N 1.475 121.618 120.200 -0.094 0.000 2.482 54 E HA 0.078 4.431 4.350 0.005 0.000 0.196 54 E C 0.305 176.835 176.600 -0.116 0.000 1.047 54 E CA 0.276 56.616 56.400 -0.100 0.000 0.869 54 E CB 0.267 29.927 29.700 -0.066 0.000 0.836 54 E HN 0.590 nan 8.360 nan 0.000 0.520 55 R N -0.500 119.934 120.500 -0.111 0.000 2.854 55 R HA 0.340 4.683 4.340 0.005 0.000 0.271 55 R C -0.877 175.335 176.300 -0.147 0.000 0.996 55 R CA -0.884 55.162 56.100 -0.090 0.000 0.961 55 R CB 1.020 31.308 30.300 -0.020 0.000 1.182 55 R HN -0.039 nan 8.270 nan 0.000 0.479 56 Y N 1.233 121.422 120.300 -0.185 0.000 2.426 56 Y HA 0.085 4.638 4.550 0.005 0.000 0.344 56 Y C -1.532 174.280 175.900 -0.147 0.000 1.256 56 Y CA -0.691 57.228 58.100 -0.302 0.000 1.451 56 Y CB 0.078 38.235 38.460 -0.505 0.000 1.342 56 Y HN 0.354 nan 8.280 nan 0.000 0.600 57 P HA 0.006 nan 4.420 nan 0.000 0.274 57 P C -1.080 176.251 177.300 0.053 0.000 1.256 57 P CA -0.466 62.688 63.100 0.091 0.000 0.795 57 P CB 0.478 32.316 31.700 0.231 0.000 1.038 58 D N 0.235 120.545 120.400 -0.149 0.000 2.358 58 D HA 0.110 4.753 4.640 0.005 0.000 0.258 58 D C 1.077 177.095 176.300 -0.469 0.000 1.223 58 D CA 0.026 53.912 54.000 -0.189 0.000 0.886 58 D CB 0.660 41.366 40.800 -0.156 0.000 1.120 58 D HN 0.304 nan 8.370 nan 0.000 0.482 59 A N 4.370 127.100 122.820 -0.151 0.000 2.024 59 A HA -0.180 4.143 4.320 0.005 0.000 0.220 59 A C 1.480 178.956 177.584 -0.180 0.000 1.164 59 A CA 1.311 53.210 52.037 -0.230 0.000 0.643 59 A CB -0.027 18.799 19.000 -0.289 0.000 0.806 59 A HN 0.651 nan 8.150 nan 0.000 0.451 60 D N -2.313 118.020 120.400 -0.111 0.000 2.349 60 D HA 0.116 4.760 4.640 0.005 0.000 0.214 60 D C -0.572 175.907 176.300 0.300 0.000 1.063 60 D CA -0.050 54.030 54.000 0.134 0.000 0.847 60 D CB -0.192 40.692 40.800 0.140 0.000 0.933 60 D HN 0.499 nan 8.370 nan 0.000 0.513 61 Y N 0.149 120.546 120.300 0.162 0.000 3.001 61 Y HA -0.312 4.241 4.550 0.005 0.000 0.207 61 Y C 1.336 177.266 175.900 0.050 0.000 1.231 61 Y CA -0.358 57.744 58.100 0.004 0.000 1.024 61 Y CB -2.586 35.685 38.460 -0.315 0.000 1.267 61 Y HN 0.026 nan 8.280 nan 0.000 0.501 62 F N 0.850 120.862 119.950 0.103 0.000 2.043 62 F HA -0.263 4.267 4.527 0.006 0.000 0.297 62 F C 2.590 178.437 175.800 0.078 0.000 1.121 62 F CA 2.898 60.965 58.000 0.112 0.000 1.199 62 F CB -0.916 38.118 39.000 0.056 0.000 0.968 62 F HN 0.495 nan 8.300 nan 0.000 0.478 63 H N 0.014 119.055 119.070 -0.048 0.000 2.319 63 H HA -0.168 4.392 4.556 0.005 0.000 0.299 63 H C 2.010 177.226 175.328 -0.187 0.000 1.092 63 H CA 2.086 58.038 56.048 -0.159 0.000 1.302 63 H CB -1.236 28.534 29.762 0.013 0.000 1.373 63 H HN 0.437 nan 8.280 nan 0.000 0.497 64 L N 0.278 121.427 121.223 -0.124 0.000 2.017 64 L HA -0.134 4.209 4.340 0.005 0.000 0.208 64 L C 2.369 179.115 176.870 -0.208 0.000 1.073 64 L CA 2.288 57.020 54.840 -0.179 0.000 0.745 64 L CB -0.911 41.033 42.059 -0.191 0.000 0.894 64 L HN 0.640 nan 8.230 nan 0.000 0.432 65 H N -0.635 118.380 119.070 -0.092 0.000 2.353 65 H HA -0.083 4.476 4.556 0.005 0.000 0.300 65 H C 2.256 177.470 175.328 -0.191 0.000 1.090 65 H CA 1.520 57.502 56.048 -0.110 0.000 1.327 65 H CB -0.105 29.640 29.762 -0.027 0.000 1.383 65 H HN 0.466 nan 8.280 nan 0.000 0.508 66 Q N 0.341 120.009 119.800 -0.219 0.000 2.084 66 Q HA -0.058 4.285 4.340 0.005 0.000 0.202 66 Q C 2.526 178.422 176.000 -0.174 0.000 0.978 66 Q CA 1.157 56.790 55.803 -0.283 0.000 0.844 66 Q CB -0.409 28.010 28.738 -0.532 0.000 0.898 66 Q HN 0.441 nan 8.270 nan 0.000 0.426 67 A N 0.813 123.529 122.820 -0.173 0.000 1.902 67 A HA -0.136 4.187 4.320 0.005 0.000 0.217 67 A C 2.269 179.783 177.584 -0.118 0.000 1.181 67 A CA 1.096 53.049 52.037 -0.140 0.000 0.623 67 A CB -0.722 18.181 19.000 -0.162 0.000 0.818 67 A HN 0.307 nan 8.150 nan 0.000 0.443 68 L N -0.852 120.285 121.223 -0.143 0.000 2.083 68 L HA -0.178 4.166 4.340 0.005 0.000 0.209 68 L C 3.062 179.951 176.870 0.031 0.000 1.083 68 L CA 1.029 55.786 54.840 -0.138 0.000 0.752 68 L CB -0.467 41.418 42.059 -0.290 0.000 0.899 68 L HN 0.440 nan 8.230 nan 0.000 0.433 69 A N -0.019 122.803 122.820 0.003 0.000 1.930 69 A HA -0.220 4.103 4.320 0.005 0.000 0.217 69 A C 2.394 179.974 177.584 -0.007 0.000 1.175 69 A CA 1.586 53.629 52.037 0.011 0.000 0.627 69 A CB -0.479 18.489 19.000 -0.053 0.000 0.815 69 A HN 0.332 nan 8.150 nan 0.000 0.443 70 R N -1.189 119.293 120.500 -0.031 0.000 2.075 70 R HA -0.168 4.175 4.340 0.005 0.000 0.232 70 R C 2.243 178.530 176.300 -0.022 0.000 1.126 70 R CA 1.598 57.676 56.100 -0.036 0.000 0.963 70 R CB -0.539 29.734 30.300 -0.046 0.000 0.858 70 R HN 0.770 nan 8.270 nan 0.000 0.435 71 H N -0.807 118.186 119.070 -0.127 0.000 2.353 71 H HA -0.143 4.416 4.556 0.004 0.000 0.300 71 H C 0.931 176.119 175.328 -0.235 0.000 1.090 71 H CA 1.710 57.635 56.048 -0.205 0.000 1.327 71 H CB 0.174 29.749 29.762 -0.312 0.000 1.383 71 H HN 0.414 nan 8.280 nan 0.000 0.508 72 H N 0.386 119.459 119.070 0.006 0.000 2.551 72 H HA 0.070 4.630 4.556 0.007 0.000 0.271 72 H C 0.414 175.715 175.328 -0.045 0.000 0.984 72 H CA 0.198 56.233 56.048 -0.021 0.000 1.164 72 H CB 0.643 30.479 29.762 0.122 0.000 1.437 72 H HN 0.332 nan 8.280 nan 0.000 0.550 73 Q N 0.398 120.206 119.800 0.014 0.000 2.460 73 Q HA -0.129 4.214 4.340 0.005 0.000 0.311 73 Q C -0.192 175.753 176.000 -0.091 0.000 1.396 73 Q CA 0.682 56.459 55.803 -0.044 0.000 0.838 73 Q CB -2.284 26.427 28.738 -0.044 0.000 1.140 73 Q HN 0.425 nan 8.270 nan 0.000 0.415 74 V N -4.478 115.356 119.914 -0.132 0.000 3.102 74 V HA 0.849 4.972 4.120 0.005 0.000 0.312 74 V C -2.524 173.280 176.094 -0.482 0.000 1.135 74 V CA -2.672 59.394 62.300 -0.390 0.000 1.022 74 V CB 2.175 33.852 31.823 -0.245 0.000 1.056 74 V HN -0.063 nan 8.190 nan 0.000 0.436 75 P HA 0.306 nan 4.420 nan 0.000 0.268 75 P C 0.703 177.793 177.300 -0.350 0.000 1.205 75 P CA 0.496 63.228 63.100 -0.615 0.000 0.771 75 P CB 1.091 32.281 31.700 -0.850 0.000 0.858 76 A N 2.861 125.582 122.820 -0.165 0.000 2.019 76 A HA -0.175 4.148 4.320 0.005 0.000 0.219 76 A C 2.069 179.639 177.584 -0.023 0.000 1.164 76 A CA 2.036 54.034 52.037 -0.065 0.000 0.644 76 A CB -1.521 17.453 19.000 -0.042 0.000 0.805 76 A HN 0.603 nan 8.150 nan 0.000 0.449 77 S N -1.935 113.767 115.700 0.002 0.000 2.469 77 S HA -0.157 4.316 4.470 0.005 0.000 0.238 77 S C 1.286 176.037 174.600 0.252 0.000 0.998 77 S CA 0.889 59.150 58.200 0.101 0.000 0.957 77 S CB -0.595 62.682 63.200 0.129 0.000 0.764 77 S HN 0.672 nan 8.310 nan 0.000 0.514 78 W N 1.823 123.096 121.300 -0.045 0.000 3.180 78 W HA 0.502 5.166 4.660 0.007 0.000 0.254 78 W C 0.368 176.873 176.519 -0.023 0.000 1.318 78 W CA -1.491 55.823 57.345 -0.052 0.000 1.608 78 W CB -0.635 28.795 29.460 -0.050 0.000 1.124 78 W HN 0.257 nan 8.180 nan 0.000 0.694 79 I N 1.080 121.758 120.570 0.180 0.000 2.530 79 I HA 0.331 4.504 4.170 0.005 0.000 0.297 79 I C -1.058 175.067 176.117 0.012 0.000 1.011 79 I CA -1.241 60.147 61.300 0.146 0.000 1.107 79 I CB 2.048 40.141 38.000 0.155 0.000 1.285 79 I HN -0.474 nan 8.210 nan 0.000 0.436 80 L N 5.670 126.998 121.223 0.176 0.000 2.446 80 L HA 0.698 5.041 4.340 0.005 0.000 0.268 80 L C -0.228 176.853 176.870 0.351 0.000 0.975 80 L CA -0.216 54.749 54.840 0.208 0.000 0.848 80 L CB 1.353 43.521 42.059 0.182 0.000 1.225 80 L HN 0.710 nan 8.230 nan 0.000 0.410 81 A N 3.056 126.166 122.820 0.482 0.000 2.371 81 A HA 0.814 5.138 4.320 0.005 0.000 0.257 81 A C 0.347 177.982 177.584 0.084 0.000 1.089 81 A CA 0.410 52.569 52.037 0.202 0.000 0.794 81 A CB 0.352 19.286 19.000 -0.111 0.000 1.029 81 A HN 0.978 nan 8.150 nan 0.000 0.488 82 G N -0.182 108.659 108.800 0.069 0.000 2.680 82 G HA2 0.418 4.381 3.960 0.005 0.000 0.290 82 G HA3 0.418 4.381 3.960 0.005 0.000 0.290 82 G C -0.570 174.341 174.900 0.019 0.000 1.355 82 G CA -0.737 44.394 45.100 0.051 0.000 0.903 82 G HN 0.671 nan 8.290 nan 0.000 0.474 83 N N 0.384 119.098 118.700 0.024 0.000 3.103 83 N HA 0.460 5.203 4.740 0.005 0.000 0.305 83 N C 0.620 176.149 175.510 0.031 0.000 1.232 83 N CA 1.176 54.237 53.050 0.018 0.000 1.190 83 N CB -0.594 37.909 38.487 0.027 0.000 1.461 83 N HN 1.365 nan 8.380 nan 0.000 0.538 84 G N 0.767 109.589 108.800 0.037 0.000 2.690 84 G HA2 -0.196 3.768 3.960 0.005 0.000 0.686 84 G HA3 -0.196 3.768 3.960 0.005 0.000 0.686 84 G C 0.213 175.150 174.900 0.062 0.000 1.277 84 G CA -0.247 44.877 45.100 0.041 0.000 0.799 84 G HN 0.405 nan 8.290 nan 0.000 0.613 85 E N -0.534 119.693 120.200 0.045 0.000 2.338 85 E HA -0.098 4.256 4.350 0.005 0.000 0.197 85 E C 2.392 179.069 176.600 0.128 0.000 1.007 85 E CA 1.607 58.041 56.400 0.056 0.000 0.849 85 E CB -0.122 29.569 29.700 -0.014 0.000 0.774 85 E HN 0.595 nan 8.360 nan 0.000 0.506 86 T N 0.597 115.237 114.554 0.144 0.000 2.746 86 T HA -0.196 4.157 4.350 0.005 0.000 0.267 86 T C 1.653 176.529 174.700 0.293 0.000 1.039 86 T CA 1.457 63.707 62.100 0.250 0.000 1.142 86 T CB -0.164 68.821 68.868 0.195 0.000 0.866 86 T HN 0.325 nan 8.240 nan 0.000 0.444 87 E N 0.793 121.102 120.200 0.181 0.000 2.106 87 E HA -0.117 4.236 4.350 0.005 0.000 0.192 87 E C 2.207 178.936 176.600 0.214 0.000 0.984 87 E CA 1.100 57.605 56.400 0.176 0.000 0.806 87 E CB -0.041 29.715 29.700 0.093 0.000 0.750 87 E HN 0.374 nan 8.360 nan 0.000 0.458 88 S N 0.582 116.389 115.700 0.179 0.000 2.399 88 S HA -0.141 4.332 4.470 0.005 0.000 0.231 88 S C 1.902 176.609 174.600 0.178 0.000 1.022 88 S CA 0.986 59.287 58.200 0.169 0.000 0.983 88 S CB -0.193 63.094 63.200 0.145 0.000 0.803 88 S HN 0.299 nan 8.310 nan 0.000 0.480 89 I N 0.263 120.959 120.570 0.210 0.000 2.202 89 I HA -0.168 4.006 4.170 0.005 0.000 0.242 89 I C 1.887 178.030 176.117 0.042 0.000 1.091 89 I CA 1.335 62.731 61.300 0.161 0.000 1.368 89 I CB -0.322 37.782 38.000 0.174 0.000 1.058 89 I HN 0.193 nan 8.210 nan 0.000 0.410 90 F N 0.732 120.712 119.950 0.051 0.000 2.186 90 F HA -0.197 4.333 4.527 0.005 0.000 0.299 90 F C 2.687 178.498 175.800 0.017 0.000 1.090 90 F CA 1.545 59.557 58.000 0.019 0.000 1.307 90 F CB -0.974 38.035 39.000 0.014 0.000 1.019 90 F HN -0.017 nan 8.300 nan 0.000 0.489 91 T N -0.729 113.942 114.554 0.195 0.000 2.708 91 T HA -0.183 4.171 4.350 0.005 0.000 0.266 91 T C 2.248 176.958 174.700 0.017 0.000 1.037 91 T CA 1.436 63.602 62.100 0.109 0.000 1.146 91 T CB -0.658 68.281 68.868 0.119 0.000 0.865 91 T HN 0.133 nan 8.240 nan 0.000 0.435 92 V N 1.207 121.113 119.914 -0.014 0.000 2.358 92 V HA -0.066 4.057 4.120 0.005 0.000 0.246 92 V C 2.657 178.671 176.094 -0.133 0.000 1.047 92 V CA 1.849 64.044 62.300 -0.175 0.000 1.035 92 V CB -0.949 30.780 31.823 -0.158 0.000 0.658 92 V HN 0.510 nan 8.190 nan 0.000 0.452 93 A N 0.164 122.963 122.820 -0.035 0.000 1.877 93 A HA -0.210 4.113 4.320 0.005 0.000 0.216 93 A C 2.569 180.128 177.584 -0.041 0.000 1.186 93 A CA 2.623 54.639 52.037 -0.035 0.000 0.620 93 A CB -0.960 17.943 19.000 -0.162 0.000 0.822 93 A HN 0.807 nan 8.150 nan 0.000 0.443 94 S N -0.742 114.949 115.700 -0.015 0.000 2.406 94 S HA 0.085 4.558 4.470 0.005 0.000 0.228 94 S C 1.975 176.565 174.600 -0.016 0.000 1.020 94 S CA 1.250 59.454 58.200 0.007 0.000 0.965 94 S CB -0.860 62.373 63.200 0.056 0.000 0.798 94 S HN 0.643 nan 8.310 nan 0.000 0.488 95 G N 1.326 110.098 108.800 -0.047 0.000 2.421 95 G HA2 0.139 4.102 3.960 0.005 0.000 0.217 95 G HA3 0.139 4.102 3.960 0.005 0.000 0.217 95 G C 1.405 176.244 174.900 -0.101 0.000 1.143 95 G CA 0.532 45.593 45.100 -0.064 0.000 0.784 95 G HN 0.512 nan 8.290 nan 0.000 0.541 96 L N -0.085 121.043 121.223 -0.159 0.000 2.416 96 L HA 0.244 4.587 4.340 0.005 0.000 0.216 96 L C 2.030 178.858 176.870 -0.070 0.000 1.098 96 L CA 0.493 55.241 54.840 -0.154 0.000 0.840 96 L CB -0.318 41.583 42.059 -0.265 0.000 0.981 96 L HN 0.286 nan 8.230 nan 0.000 0.462 97 K N 0.847 121.219 120.400 -0.047 0.000 3.777 97 K HA -0.178 4.145 4.320 0.005 0.000 0.276 97 K C -2.213 174.380 176.600 -0.012 0.000 0.877 97 K CA 0.808 57.084 56.287 -0.020 0.000 0.724 97 K CB -2.965 29.529 32.500 -0.011 0.000 1.589 97 K HN 0.370 nan 8.250 nan 0.000 0.444 98 P HA 0.220 nan 4.420 nan 0.000 0.269 98 P C 0.252 177.557 177.300 0.008 0.000 1.209 98 P CA -0.207 62.895 63.100 0.004 0.000 0.776 98 P CB 1.116 32.836 31.700 0.033 0.000 0.876 99 R N 1.432 121.936 120.500 0.007 0.000 2.112 99 R HA 0.121 4.464 4.340 0.005 0.000 0.216 99 R C 0.809 177.117 176.300 0.012 0.000 1.080 99 R CA 1.112 57.217 56.100 0.007 0.000 0.996 99 R CB -0.025 30.277 30.300 0.005 0.000 0.902 99 R HN 0.495 nan 8.270 nan 0.000 0.449 100 R N -0.631 119.879 120.500 0.016 0.000 2.575 100 R HA 0.711 5.054 4.340 0.005 0.000 0.293 100 R C -1.514 174.808 176.300 0.037 0.000 0.983 100 R CA -0.483 55.631 56.100 0.024 0.000 0.887 100 R CB 2.403 32.714 30.300 0.018 0.000 1.184 100 R HN 0.131 nan 8.270 nan 0.000 0.445 101 A N 2.940 125.796 122.820 0.060 0.000 2.539 101 A HA 0.698 5.022 4.320 0.005 0.000 0.296 101 A C -1.362 176.289 177.584 0.112 0.000 1.073 101 A CA -0.736 51.363 52.037 0.103 0.000 0.700 101 A CB 2.010 21.130 19.000 0.201 0.000 1.296 101 A HN 0.705 nan 8.150 nan 0.000 0.405 102 M N 2.884 122.562 119.600 0.129 0.000 2.383 102 M HA 0.747 5.230 4.480 0.005 0.000 0.325 102 M C -1.144 175.267 176.300 0.185 0.000 1.092 102 M CA -0.823 54.557 55.300 0.133 0.000 0.961 102 M CB 1.053 33.710 32.600 0.096 0.000 1.672 102 M HN 0.759 nan 8.290 nan 0.000 0.438 103 I N 1.515 122.185 120.570 0.167 0.000 2.957 103 I HA 0.782 4.956 4.170 0.005 0.000 0.310 103 I C -1.519 174.714 176.117 0.193 0.000 1.063 103 I CA -1.077 60.317 61.300 0.158 0.000 1.033 103 I CB 2.203 40.268 38.000 0.108 0.000 1.230 103 I HN 0.400 nan 8.210 nan 0.000 0.447 104 V N 1.962 121.995 119.914 0.198 0.000 2.417 104 V HA 0.511 4.634 4.120 0.005 0.000 0.291 104 V C 0.120 176.326 176.094 0.188 0.000 1.024 104 V CA -0.217 62.231 62.300 0.247 0.000 0.861 104 V CB 1.776 33.761 31.823 0.270 0.000 0.985 104 V HN 0.972 nan 8.190 nan 0.000 0.436 105 T N 3.822 118.453 114.554 0.127 0.000 2.856 105 T HA 0.649 5.002 4.350 0.005 0.000 0.283 105 T C -2.776 171.938 174.700 0.024 0.000 1.008 105 T CA -2.295 59.850 62.100 0.075 0.000 0.997 105 T CB 2.223 71.113 68.868 0.037 0.000 0.992 105 T HN 0.477 nan 8.240 nan 0.000 0.454 106 P HA 0.544 nan 4.420 nan 0.000 0.274 106 P C -0.052 177.293 177.300 0.075 0.000 1.231 106 P CA 0.007 63.077 63.100 -0.050 0.000 0.790 106 P CB 1.246 32.752 31.700 -0.323 0.000 0.951 107 G N 1.055 109.999 108.800 0.241 0.000 2.608 107 G HA2 0.359 4.322 3.960 0.005 0.000 0.291 107 G HA3 0.359 4.322 3.960 0.005 0.000 0.291 107 G C -1.586 173.558 174.900 0.408 0.000 1.425 107 G CA -0.669 44.639 45.100 0.348 0.000 0.787 107 G HN 0.331 nan 8.290 nan 0.000 0.484 108 F N 1.827 121.865 119.950 0.147 0.000 2.623 108 F HA 0.360 4.891 4.527 0.006 0.000 0.383 108 F C 1.612 177.230 175.800 -0.303 0.000 1.077 108 F CA 0.044 57.967 58.000 -0.129 0.000 1.268 108 F CB 1.128 39.873 39.000 -0.424 0.000 1.053 108 F HN 0.612 nan 8.300 nan 0.000 0.571 109 A N 4.871 127.311 122.820 -0.634 0.000 2.015 109 A HA -0.113 4.210 4.320 0.005 0.000 0.219 109 A C 1.958 179.170 177.584 -0.620 0.000 1.163 109 A CA 1.284 52.981 52.037 -0.568 0.000 0.646 109 A CB -0.508 18.163 19.000 -0.548 0.000 0.806 109 A HN 0.769 nan 8.150 nan 0.000 0.448 110 E N -0.501 119.105 120.200 -0.990 0.000 2.268 110 E HA -0.177 4.176 4.350 0.005 0.000 0.195 110 E C 1.555 177.849 176.600 -0.509 0.000 0.995 110 E CA 0.967 56.992 56.400 -0.625 0.000 0.836 110 E CB -0.458 28.934 29.700 -0.514 0.000 0.763 110 E HN 0.818 nan 8.360 nan 0.000 0.491 111 Y N 0.590 120.681 120.300 -0.348 0.000 2.145 111 Y HA -0.083 4.470 4.550 0.005 0.000 0.286 111 Y C 2.673 178.289 175.900 -0.473 0.000 1.145 111 Y CA 1.099 58.914 58.100 -0.475 0.000 1.148 111 Y CB -1.313 36.898 38.460 -0.416 0.000 0.981 111 Y HN 0.089 nan 8.280 nan 0.000 0.507 112 G N -0.218 108.476 108.800 -0.176 0.000 2.422 112 G HA2 -0.206 3.757 3.960 0.005 0.000 0.218 112 G HA3 -0.206 3.757 3.960 0.005 0.000 0.218 112 G C 1.807 176.590 174.900 -0.195 0.000 1.146 112 G CA 0.715 45.715 45.100 -0.166 0.000 0.769 112 G HN 0.292 nan 8.290 nan 0.000 0.547 113 R N 0.425 120.788 120.500 -0.228 0.000 2.066 113 R HA 0.038 4.381 4.340 0.005 0.000 0.232 113 R C 3.057 179.216 176.300 -0.234 0.000 1.131 113 R CA 1.167 57.173 56.100 -0.156 0.000 0.955 113 R CB -0.417 29.857 30.300 -0.044 0.000 0.851 113 R HN 0.337 nan 8.270 nan 0.000 0.432 114 A N 1.240 123.693 122.820 -0.612 0.000 1.902 114 A HA -0.125 4.199 4.320 0.005 0.000 0.217 114 A C 2.191 179.548 177.584 -0.377 0.000 1.181 114 A CA 1.188 52.700 52.037 -0.875 0.000 0.623 114 A CB -0.506 17.710 19.000 -1.306 0.000 0.818 114 A HN 0.172 nan 8.150 nan 0.000 0.443 115 L N -0.969 120.062 121.223 -0.321 0.000 2.093 115 L HA -0.139 4.204 4.340 0.005 0.000 0.208 115 L C 3.092 179.898 176.870 -0.107 0.000 1.085 115 L CA 0.889 55.614 54.840 -0.191 0.000 0.755 115 L CB -0.521 41.424 42.059 -0.190 0.000 0.904 115 L HN 0.434 nan 8.230 nan 0.000 0.435 116 A N -0.236 122.523 122.820 -0.101 0.000 1.877 116 A HA -0.252 4.071 4.320 0.005 0.000 0.216 116 A C 2.202 179.769 177.584 -0.028 0.000 1.186 116 A CA 1.556 53.561 52.037 -0.054 0.000 0.620 116 A CB -0.496 18.473 19.000 -0.051 0.000 0.822 116 A HN 0.475 nan 8.150 nan 0.000 0.443 117 Q N 0.119 119.911 119.800 -0.015 0.000 2.224 117 Q HA -0.105 4.238 4.340 0.005 0.000 0.203 117 Q C 2.046 178.058 176.000 0.020 0.000 0.970 117 Q CA 1.503 57.323 55.803 0.028 0.000 0.865 117 Q CB -0.228 28.572 28.738 0.103 0.000 0.922 117 Q HN 0.818 nan 8.270 nan 0.000 0.445 118 S N -1.001 114.694 115.700 -0.007 0.000 2.593 118 S HA 0.193 4.666 4.470 0.005 0.000 0.217 118 S C 1.299 175.896 174.600 -0.005 0.000 0.966 118 S CA 0.245 58.443 58.200 -0.004 0.000 0.914 118 S CB 0.344 63.532 63.200 -0.020 0.000 0.776 118 S HN 0.478 nan 8.310 nan 0.000 0.523 119 G N 0.464 109.259 108.800 -0.008 0.000 2.176 119 G HA2 -0.279 3.684 3.960 0.005 0.000 0.252 119 G HA3 -0.279 3.684 3.960 0.005 0.000 0.252 119 G C 0.177 175.073 174.900 -0.006 0.000 1.024 119 G CA -0.022 45.075 45.100 -0.005 0.000 0.755 119 G HN 0.850 nan 8.290 nan 0.000 0.507 120 C N 0.180 119.474 119.300 -0.011 0.000 2.405 120 C HA 0.668 5.131 4.460 0.005 0.000 0.365 120 C C 0.970 175.959 174.990 -0.001 0.000 1.233 120 C CA -0.538 58.478 59.018 -0.003 0.000 2.230 120 C CB 1.099 28.838 27.740 -0.002 0.000 2.443 120 C HN 0.585 nan 8.230 nan 0.000 0.556 121 E N 4.465 124.669 120.200 0.007 0.000 2.180 121 E HA 0.328 4.681 4.350 0.005 0.000 0.283 121 E C -0.839 175.771 176.600 0.017 0.000 1.061 121 E CA -0.133 56.273 56.400 0.010 0.000 0.861 121 E CB 0.462 30.170 29.700 0.013 0.000 1.056 121 E HN 0.666 nan 8.360 nan 0.000 0.407 122 I N 5.262 125.839 120.570 0.013 0.000 2.331 122 I HA 0.298 4.471 4.170 0.005 0.000 0.292 122 I C 0.416 176.554 176.117 0.035 0.000 0.998 122 I CA -0.486 60.827 61.300 0.021 0.000 1.267 122 I CB 1.097 39.097 38.000 0.000 0.000 1.386 122 I HN 0.383 nan 8.210 nan 0.000 0.476 123 R N 6.069 126.604 120.500 0.058 0.000 2.514 123 R HA 0.614 4.958 4.340 0.005 0.000 0.301 123 R C -0.776 175.584 176.300 0.100 0.000 0.962 123 R CA -0.904 55.240 56.100 0.074 0.000 0.882 123 R CB 2.009 32.360 30.300 0.085 0.000 1.143 123 R HN 0.530 nan 8.270 nan 0.000 0.452 124 R N 1.842 122.400 120.500 0.097 0.000 2.387 124 R HA 0.211 4.554 4.340 0.005 0.000 0.314 124 R C -0.982 175.411 176.300 0.156 0.000 0.958 124 R CA -0.611 55.556 56.100 0.111 0.000 0.846 124 R CB 1.877 32.208 30.300 0.053 0.000 1.147 124 R HN 0.569 nan 8.270 nan 0.000 0.447 125 W N 4.488 125.813 121.300 0.042 0.000 2.316 125 W HA 0.252 4.915 4.660 0.005 0.000 0.308 125 W C -1.145 175.409 176.519 0.058 0.000 1.106 125 W CA -0.430 56.941 57.345 0.043 0.000 1.262 125 W CB 1.463 30.946 29.460 0.039 0.000 1.233 125 W HN 0.450 nan 8.180 nan 0.000 0.447 126 S N 6.772 122.074 115.700 -0.663 0.000 2.465 126 S HA 0.305 4.778 4.470 0.005 0.000 0.279 126 S C 0.317 174.615 174.600 -0.503 0.000 1.201 126 S CA -0.544 57.388 58.200 -0.447 0.000 1.053 126 S CB 0.716 63.731 63.200 -0.307 0.000 0.953 126 S HN 0.399 nan 8.310 nan 0.000 0.488 127 L N 3.906 125.064 121.223 -0.108 0.000 2.452 127 L HA 0.350 4.694 4.340 0.005 0.000 0.267 127 L C 0.813 177.732 176.870 0.081 0.000 1.188 127 L CA -0.138 54.750 54.840 0.081 0.000 0.821 127 L CB 0.335 42.587 42.059 0.322 0.000 1.102 127 L HN 0.456 nan 8.230 nan 0.000 0.470 128 R N 1.074 121.500 120.500 -0.123 0.000 2.514 128 R HA 0.157 4.500 4.340 0.005 0.000 0.301 128 R C 0.505 176.195 176.300 -1.017 0.000 0.962 128 R CA -0.647 55.203 56.100 -0.417 0.000 0.882 128 R CB 1.967 32.107 30.300 -0.268 0.000 1.143 128 R HN 0.619 nan 8.270 nan 0.000 0.452 129 E N 2.575 121.929 120.200 -1.411 0.000 2.118 129 E HA -0.224 4.129 4.350 0.005 0.000 0.195 129 E C 1.458 177.650 176.600 -0.681 0.000 0.992 129 E CA 1.663 57.159 56.400 -1.506 0.000 0.804 129 E CB 0.098 29.418 29.700 -0.634 0.000 0.741 129 E HN 0.757 nan 8.360 nan 0.000 0.458 130 A N 0.771 123.344 122.820 -0.412 0.000 2.070 130 A HA -0.152 4.171 4.320 0.005 0.000 0.220 130 A C 1.383 178.859 177.584 -0.181 0.000 1.159 130 A CA 1.533 53.439 52.037 -0.218 0.000 0.656 130 A CB -0.098 18.813 19.000 -0.149 0.000 0.800 130 A HN 0.227 nan 8.150 nan 0.000 0.453 131 D N -1.231 119.028 120.400 -0.235 0.000 2.349 131 D HA 0.269 4.912 4.640 0.005 0.000 0.214 131 D C 1.280 177.522 176.300 -0.097 0.000 1.063 131 D CA 0.920 54.846 54.000 -0.123 0.000 0.847 131 D CB 0.041 40.794 40.800 -0.079 0.000 0.933 131 D HN 0.518 nan 8.370 nan 0.000 0.513 132 G N 0.501 109.189 108.800 -0.188 0.000 2.179 132 G HA2 -0.319 3.645 3.960 0.005 0.000 0.257 132 G HA3 -0.319 3.645 3.960 0.005 0.000 0.257 132 G C 0.358 175.281 174.900 0.039 0.000 1.010 132 G CA 0.131 45.237 45.100 0.010 0.000 0.736 132 G HN 0.376 nan 8.290 nan 0.000 0.513 133 W N -1.891 119.412 121.300 0.006 0.000 3.160 133 W HA -0.226 4.437 4.660 0.005 0.000 0.299 133 W C 1.042 177.552 176.519 -0.015 0.000 1.141 133 W CA 0.738 58.038 57.345 -0.074 0.000 0.612 133 W CB -1.678 27.637 29.460 -0.241 0.000 2.186 133 W HN 0.862 nan 8.180 nan 0.000 1.364 134 Q N 1.339 121.238 119.800 0.165 0.000 2.293 134 Q HA 0.424 4.767 4.340 0.005 0.000 0.251 134 Q C 0.038 176.136 176.000 0.163 0.000 0.930 134 Q CA -0.830 55.061 55.803 0.148 0.000 0.893 134 Q CB 1.079 29.882 28.738 0.108 0.000 1.215 134 Q HN 0.237 nan 8.270 nan 0.000 0.425 135 L N 4.039 125.361 121.223 0.166 0.000 2.360 135 L HA 0.280 4.623 4.340 0.005 0.000 0.276 135 L C -0.403 176.557 176.870 0.150 0.000 1.121 135 L CA 0.666 55.624 54.840 0.196 0.000 0.845 135 L CB 1.013 43.163 42.059 0.153 0.000 1.143 135 L HN 0.885 nan 8.230 nan 0.000 0.452 136 T N -0.142 114.522 114.554 0.183 0.000 2.940 136 T HA 0.366 4.719 4.350 0.005 0.000 0.288 136 T C 0.573 175.307 174.700 0.056 0.000 1.045 136 T CA -0.107 62.065 62.100 0.119 0.000 1.018 136 T CB 1.206 70.161 68.868 0.144 0.000 1.151 136 T HN 0.639 nan 8.240 nan 0.000 0.529 137 D N 0.069 120.484 120.400 0.026 0.000 2.392 137 D HA 0.010 4.653 4.640 0.005 0.000 0.228 137 D C 1.868 178.133 176.300 -0.059 0.000 1.003 137 D CA 0.745 54.728 54.000 -0.028 0.000 0.917 137 D CB -0.680 40.112 40.800 -0.014 0.000 0.890 137 D HN 0.671 nan 8.370 nan 0.000 0.532 138 A N 0.831 123.658 122.820 0.012 0.000 2.070 138 A HA -0.085 4.238 4.320 0.005 0.000 0.220 138 A C 2.242 179.641 177.584 -0.308 0.000 1.159 138 A CA 0.752 52.809 52.037 0.033 0.000 0.656 138 A CB -0.885 18.298 19.000 0.305 0.000 0.800 138 A HN 0.399 nan 8.150 nan 0.000 0.453 139 I N -0.575 119.605 120.570 -0.651 0.000 2.493 139 I HA -0.202 3.971 4.170 0.005 0.000 0.254 139 I C 2.019 177.747 176.117 -0.648 0.000 1.160 139 I CA 0.828 61.344 61.300 -1.308 0.000 1.445 139 I CB -0.063 37.155 38.000 -1.303 0.000 1.086 139 I HN 0.351 nan 8.210 nan 0.000 0.433 140 L N 1.243 122.250 121.223 -0.360 0.000 2.013 140 L HA -0.247 4.096 4.340 0.005 0.000 0.212 140 L C 3.024 179.787 176.870 -0.178 0.000 1.073 140 L CA 2.096 56.805 54.840 -0.218 0.000 0.753 140 L CB -1.309 40.670 42.059 -0.133 0.000 0.890 140 L HN 0.376 nan 8.230 nan 0.000 0.432 141 E N 0.219 120.325 120.200 -0.155 0.000 2.268 141 E HA -0.049 4.304 4.350 0.005 0.000 0.195 141 E C 2.153 178.703 176.600 -0.083 0.000 0.995 141 E CA 1.114 57.462 56.400 -0.086 0.000 0.836 141 E CB -0.615 29.064 29.700 -0.036 0.000 0.763 141 E HN 0.596 nan 8.360 nan 0.000 0.491 142 A N -0.063 122.658 122.820 -0.164 0.000 2.119 142 A HA 0.316 4.639 4.320 0.005 0.000 0.217 142 A C 1.326 178.857 177.584 -0.088 0.000 1.153 142 A CA 0.103 52.080 52.037 -0.100 0.000 0.692 142 A CB -0.155 18.725 19.000 -0.199 0.000 0.799 142 A HN 0.445 nan 8.150 nan 0.000 0.458 143 L N 1.660 122.806 121.223 -0.129 0.000 2.331 143 L HA 0.347 4.690 4.340 0.005 0.000 0.278 143 L C 0.337 177.174 176.870 -0.055 0.000 1.106 143 L CA -0.184 54.601 54.840 -0.091 0.000 0.824 143 L CB 0.946 42.940 42.059 -0.109 0.000 1.142 143 L HN 0.352 nan 8.230 nan 0.000 0.443 144 T N -0.699 113.835 114.554 -0.035 0.000 2.906 144 T HA 0.392 4.745 4.350 0.005 0.000 0.295 144 T C -2.242 172.445 174.700 -0.022 0.000 1.061 144 T CA -1.930 60.156 62.100 -0.023 0.000 1.000 144 T CB 2.158 71.020 68.868 -0.009 0.000 1.103 144 T HN 0.171 nan 8.240 nan 0.000 0.486 145 P HA -0.160 nan 4.420 nan 0.000 0.217 145 P C 1.195 178.485 177.300 -0.015 0.000 1.151 145 P CA 1.418 64.506 63.100 -0.021 0.000 0.849 145 P CB -0.043 31.646 31.700 -0.018 0.000 0.787 146 D N -1.183 119.212 120.400 -0.009 0.000 2.378 146 D HA -0.096 4.548 4.640 0.005 0.000 0.227 146 D C 0.545 176.843 176.300 -0.003 0.000 1.012 146 D CA 0.321 54.319 54.000 -0.004 0.000 0.905 146 D CB -0.813 39.987 40.800 0.001 0.000 0.895 146 D HN 0.190 nan 8.370 nan 0.000 0.532 147 L N 0.926 122.144 121.223 -0.008 0.000 2.380 147 L HA 0.080 4.423 4.340 0.005 0.000 0.273 147 L C 1.006 177.867 176.870 -0.015 0.000 1.138 147 L CA -0.291 54.544 54.840 -0.007 0.000 0.832 147 L CB 1.121 43.172 42.059 -0.014 0.000 1.124 147 L HN -0.185 nan 8.230 nan 0.000 0.454 148 D N 0.793 121.185 120.400 -0.012 0.000 2.323 148 D HA 0.097 4.740 4.640 0.005 0.000 0.218 148 D C -0.021 176.247 176.300 -0.054 0.000 0.973 148 D CA 0.691 54.677 54.000 -0.022 0.000 0.890 148 D CB 0.521 41.312 40.800 -0.014 0.000 1.011 148 D HN 0.407 nan 8.370 nan 0.000 0.499 149 C N 0.512 119.772 119.300 -0.066 0.000 2.898 149 C HA 0.684 5.148 4.460 0.005 0.000 0.304 149 C C -1.136 173.754 174.990 -0.167 0.000 1.237 149 C CA -0.954 57.953 59.018 -0.185 0.000 1.529 149 C CB 2.054 29.633 27.740 -0.268 0.000 2.021 149 C HN 0.211 nan 8.230 nan 0.000 0.474 150 L N 1.861 122.895 121.223 -0.314 0.000 2.439 150 L HA 0.740 5.083 4.340 0.005 0.000 0.270 150 L C -1.677 174.968 176.870 -0.374 0.000 0.972 150 L CA -0.026 54.697 54.840 -0.195 0.000 0.836 150 L CB 0.740 42.712 42.059 -0.145 0.000 1.255 150 L HN 0.600 nan 8.230 nan 0.000 0.404 151 F N 5.722 125.573 119.950 -0.165 0.000 2.411 151 F HA 0.665 5.195 4.527 0.005 0.000 0.352 151 F C -0.276 175.364 175.800 -0.266 0.000 1.123 151 F CA -0.415 57.415 58.000 -0.283 0.000 1.044 151 F CB 1.479 40.198 39.000 -0.467 0.000 1.135 151 F HN 0.266 nan 8.300 nan 0.000 0.461 152 L N 3.000 124.162 121.223 -0.101 0.000 2.341 152 L HA 0.568 4.912 4.340 0.005 0.000 0.267 152 L C -1.029 175.834 176.870 -0.012 0.000 1.009 152 L CA -0.879 53.934 54.840 -0.044 0.000 0.819 152 L CB 2.268 44.294 42.059 -0.054 0.000 1.323 152 L HN 0.589 nan 8.230 nan 0.000 0.425 153 C N 1.670 121.025 119.300 0.091 0.000 2.298 153 C HA 0.730 5.193 4.460 0.005 0.000 0.323 153 C C 0.235 175.325 174.990 0.167 0.000 1.284 153 C CA -0.247 58.886 59.018 0.191 0.000 1.577 153 C CB 0.434 28.369 27.740 0.324 0.000 2.249 153 C HN 0.830 nan 8.230 nan 0.000 0.497 154 T N 4.995 119.649 114.554 0.167 0.000 2.963 154 T HA 0.516 4.869 4.350 0.005 0.000 0.328 154 T C -2.580 172.243 174.700 0.206 0.000 1.048 154 T CA -1.138 61.056 62.100 0.158 0.000 1.033 154 T CB 1.303 70.242 68.868 0.118 0.000 1.010 154 T HN 0.605 nan 8.240 nan 0.000 0.469 155 P HA 0.203 nan 4.420 nan 0.000 0.274 155 P C -0.386 177.060 177.300 0.243 0.000 1.256 155 P CA -0.547 62.670 63.100 0.195 0.000 0.795 155 P CB 0.975 32.759 31.700 0.140 0.000 1.038 156 N N 0.721 119.535 118.700 0.191 0.000 2.530 156 N HA 0.059 4.802 4.740 0.005 0.000 0.277 156 N C -0.444 175.194 175.510 0.214 0.000 1.168 156 N CA -0.356 52.814 53.050 0.199 0.000 0.979 156 N CB 0.235 38.806 38.487 0.140 0.000 1.141 156 N HN 0.399 nan 8.380 nan 0.000 0.459 157 N N 2.018 120.830 118.700 0.188 0.000 2.372 157 N HA 0.337 5.080 4.740 0.005 0.000 0.291 157 N C -2.114 173.391 175.510 -0.008 0.000 1.024 157 N CA -1.902 51.185 53.050 0.062 0.000 0.873 157 N CB 1.890 40.407 38.487 0.050 0.000 1.206 157 N HN 0.351 nan 8.380 nan 0.000 0.486 158 P HA 0.046 nan 4.420 nan 0.000 0.261 158 P C 0.678 177.954 177.300 -0.040 0.000 1.268 158 P CA 0.409 63.365 63.100 -0.239 0.000 0.833 158 P CB 0.199 31.578 31.700 -0.533 0.000 1.231 159 T N -4.228 110.276 114.554 -0.083 0.000 2.995 159 T HA 0.104 4.458 4.350 0.005 0.000 0.269 159 T C 1.756 176.473 174.700 0.027 0.000 1.091 159 T CA 1.263 63.317 62.100 -0.077 0.000 1.128 159 T CB -1.302 67.496 68.868 -0.117 0.000 0.891 159 T HN 0.197 nan 8.240 nan 0.000 0.492 160 G N 1.235 110.090 108.800 0.091 0.000 2.189 160 G HA2 -0.230 3.733 3.960 0.005 0.000 0.267 160 G HA3 -0.230 3.733 3.960 0.005 0.000 0.267 160 G C 0.006 174.844 174.900 -0.103 0.000 0.975 160 G CA 0.383 45.369 45.100 -0.190 0.000 0.644 160 G HN 0.681 nan 8.290 nan 0.000 0.537 161 L N 0.030 121.256 121.223 0.004 0.000 2.371 161 L HA 0.630 4.974 4.340 0.005 0.000 0.272 161 L C 0.424 177.324 176.870 0.051 0.000 1.124 161 L CA -0.957 53.900 54.840 0.028 0.000 0.816 161 L CB 1.236 43.339 42.059 0.073 0.000 1.129 161 L HN 0.132 nan 8.230 nan 0.000 0.448 162 L N 5.672 126.920 121.223 0.040 0.000 2.280 162 L HA 0.547 4.891 4.340 0.005 0.000 0.287 162 L C -2.252 174.657 176.870 0.064 0.000 1.023 162 L CA -1.458 53.419 54.840 0.061 0.000 0.819 162 L CB 0.981 43.069 42.059 0.048 0.000 1.212 162 L HN 0.303 nan 8.230 nan 0.000 0.420 163 P HA 0.256 nan 4.420 nan 0.000 0.268 163 P C -0.479 176.864 177.300 0.072 0.000 1.205 163 P CA 0.077 63.221 63.100 0.072 0.000 0.771 163 P CB 0.358 32.099 31.700 0.069 0.000 0.858 164 E N 1.896 122.131 120.200 0.059 0.000 2.437 164 E HA -0.086 4.267 4.350 0.005 0.000 0.263 164 E C 1.241 177.886 176.600 0.074 0.000 1.030 164 E CA -0.079 56.352 56.400 0.053 0.000 0.934 164 E CB 0.105 29.828 29.700 0.039 0.000 0.943 164 E HN 0.426 nan 8.360 nan 0.000 0.444 165 R N 1.966 122.507 120.500 0.069 0.000 2.083 165 R HA -0.066 4.277 4.340 0.005 0.000 0.237 165 R C -0.698 175.659 176.300 0.094 0.000 1.137 165 R CA 2.226 58.381 56.100 0.091 0.000 0.951 165 R CB -1.219 29.099 30.300 0.029 0.000 0.851 165 R HN 0.558 nan 8.270 nan 0.000 0.434 166 P HA -0.146 nan 4.420 nan 0.000 0.215 166 P C 1.206 178.539 177.300 0.054 0.000 1.153 166 P CA 0.981 64.109 63.100 0.047 0.000 0.853 166 P CB -0.112 31.604 31.700 0.028 0.000 0.788 167 L N -0.972 120.281 121.223 0.050 0.000 2.056 167 L HA -0.114 4.230 4.340 0.005 0.000 0.207 167 L C 2.092 178.988 176.870 0.043 0.000 1.078 167 L CA 1.772 56.633 54.840 0.034 0.000 0.749 167 L CB -1.371 40.705 42.059 0.028 0.000 0.901 167 L HN -0.109 nan 8.230 nan 0.000 0.433 168 L N -0.956 120.319 121.223 0.087 0.000 2.141 168 L HA -0.180 4.164 4.340 0.005 0.000 0.209 168 L C 2.583 179.542 176.870 0.148 0.000 1.094 168 L CA 1.098 55.990 54.840 0.086 0.000 0.763 168 L CB -0.532 41.631 42.059 0.173 0.000 0.908 168 L HN 0.371 nan 8.230 nan 0.000 0.437 169 Q N 0.368 120.303 119.800 0.225 0.000 2.119 169 Q HA -0.120 4.223 4.340 0.005 0.000 0.201 169 Q C 2.208 178.271 176.000 0.105 0.000 0.972 169 Q CA 1.904 57.838 55.803 0.217 0.000 0.847 169 Q CB -0.196 28.630 28.738 0.146 0.000 0.903 169 Q HN 0.418 nan 8.270 nan 0.000 0.433 170 A N 0.001 122.856 122.820 0.059 0.000 1.930 170 A HA -0.104 4.219 4.320 0.005 0.000 0.217 170 A C 2.096 179.678 177.584 -0.004 0.000 1.175 170 A CA 1.315 53.364 52.037 0.020 0.000 0.627 170 A CB -0.625 18.377 19.000 0.004 0.000 0.815 170 A HN 0.459 nan 8.150 nan 0.000 0.443 171 I N -0.441 120.118 120.570 -0.018 0.000 2.252 171 I HA -0.234 3.939 4.170 0.005 0.000 0.245 171 I C 2.972 179.069 176.117 -0.033 0.000 1.102 171 I CA 0.939 62.206 61.300 -0.057 0.000 1.385 171 I CB -0.362 37.583 38.000 -0.093 0.000 1.064 171 I HN 0.360 nan 8.210 nan 0.000 0.414 172 A N 0.688 123.503 122.820 -0.008 0.000 1.877 172 A HA -0.238 4.086 4.320 0.005 0.000 0.216 172 A C 1.944 179.614 177.584 0.143 0.000 1.186 172 A CA 2.075 54.151 52.037 0.064 0.000 0.620 172 A CB -0.576 18.472 19.000 0.081 0.000 0.822 172 A HN 0.332 nan 8.150 nan 0.000 0.443 173 D N -0.866 119.580 120.400 0.077 0.000 2.117 173 D HA -0.146 4.497 4.640 0.005 0.000 0.197 173 D C 2.087 178.373 176.300 -0.023 0.000 0.987 173 D CA 1.518 55.535 54.000 0.029 0.000 0.829 173 D CB -0.325 40.488 40.800 0.021 0.000 0.961 173 D HN 0.578 nan 8.370 nan 0.000 0.460 174 R N 0.263 120.749 120.500 -0.024 0.000 2.092 174 R HA -0.069 4.274 4.340 0.005 0.000 0.231 174 R C 2.117 178.383 176.300 -0.058 0.000 1.119 174 R CA 1.228 57.300 56.100 -0.047 0.000 0.970 174 R CB -0.456 29.812 30.300 -0.054 0.000 0.864 174 R HN 0.114 nan 8.270 nan 0.000 0.440 175 C N 0.793 120.073 119.300 -0.035 0.000 2.429 175 C HA -0.037 4.427 4.460 0.005 0.000 0.277 175 C C 2.543 177.455 174.990 -0.129 0.000 1.262 175 C CA 1.000 60.003 59.018 -0.025 0.000 1.733 175 C CB -0.687 27.097 27.740 0.074 0.000 2.010 175 C HN 0.580 nan 8.230 nan 0.000 0.483 176 K N 0.805 121.026 120.400 -0.298 0.000 2.063 176 K HA -0.176 4.147 4.320 0.005 0.000 0.208 176 K C 2.277 178.709 176.600 -0.280 0.000 1.048 176 K CA 1.793 57.714 56.287 -0.611 0.000 0.928 176 K CB -0.327 31.821 32.500 -0.586 0.000 0.713 176 K HN 0.415 nan 8.250 nan 0.000 0.442 177 S N 0.199 115.798 115.700 -0.167 0.000 2.402 177 S HA -0.009 4.465 4.470 0.005 0.000 0.229 177 S C 1.489 176.037 174.600 -0.085 0.000 1.021 177 S CA 0.710 58.846 58.200 -0.107 0.000 0.974 177 S CB -0.036 63.119 63.200 -0.075 0.000 0.800 177 S HN 0.361 nan 8.310 nan 0.000 0.484 178 L N 1.375 122.549 121.223 -0.082 0.000 2.700 178 L HA 0.305 4.648 4.340 0.005 0.000 0.234 178 L C 1.049 177.886 176.870 -0.055 0.000 1.156 178 L CA 0.358 55.163 54.840 -0.060 0.000 0.946 178 L CB -1.473 40.555 42.059 -0.051 0.000 1.216 178 L HN 0.585 nan 8.230 nan 0.000 0.493 179 N N 1.266 119.922 118.700 -0.074 0.000 2.727 179 N HA -0.202 4.541 4.740 0.005 0.000 0.251 179 N C -0.183 175.310 175.510 -0.028 0.000 1.040 179 N CA 1.121 54.138 53.050 -0.055 0.000 0.712 179 N CB -2.570 35.895 38.487 -0.037 0.000 0.912 179 N HN 0.391 nan 8.380 nan 0.000 0.545 180 I N -0.134 120.423 120.570 -0.023 0.000 2.404 180 I HA 0.356 4.529 4.170 0.005 0.000 0.293 180 I C -0.107 176.040 176.117 0.050 0.000 0.992 180 I CA -1.021 60.274 61.300 -0.009 0.000 1.149 180 I CB 1.716 39.697 38.000 -0.031 0.000 1.315 180 I HN 0.345 nan 8.210 nan 0.000 0.446 181 N N 5.155 123.863 118.700 0.013 0.000 2.529 181 N HA 0.311 5.054 4.740 0.005 0.000 0.278 181 N C -0.965 174.495 175.510 -0.084 0.000 1.146 181 N CA -0.383 52.697 53.050 0.050 0.000 0.980 181 N CB 1.949 40.437 38.487 0.003 0.000 1.124 181 N HN 0.288 nan 8.380 nan 0.000 0.458 182 L N 3.542 124.719 121.223 -0.076 0.000 2.319 182 L HA 0.515 4.859 4.340 0.005 0.000 0.281 182 L C -1.214 175.524 176.870 -0.219 0.000 1.005 182 L CA -0.520 54.195 54.840 -0.210 0.000 0.828 182 L CB 0.780 42.702 42.059 -0.229 0.000 1.227 182 L HN 0.327 nan 8.230 nan 0.000 0.415 183 I N 6.195 126.551 120.570 -0.357 0.000 2.339 183 I HA 0.378 4.552 4.170 0.005 0.000 0.290 183 I C -0.579 175.431 176.117 -0.178 0.000 0.994 183 I CA -0.091 61.052 61.300 -0.262 0.000 1.191 183 I CB 1.360 39.046 38.000 -0.522 0.000 1.343 183 I HN 0.435 nan 8.210 nan 0.000 0.458 184 L N 5.465 126.627 121.223 -0.101 0.000 2.280 184 L HA 0.420 4.763 4.340 0.005 0.000 0.287 184 L C -0.369 176.512 176.870 0.019 0.000 1.023 184 L CA -0.620 54.173 54.840 -0.078 0.000 0.819 184 L CB 1.277 43.250 42.059 -0.143 0.000 1.212 184 L HN 0.489 nan 8.230 nan 0.000 0.420 185 D N 3.622 124.063 120.400 0.068 0.000 2.411 185 D HA 0.076 4.719 4.640 0.005 0.000 0.225 185 D C 0.219 176.595 176.300 0.126 0.000 1.156 185 D CA -0.036 54.046 54.000 0.136 0.000 0.874 185 D CB 0.905 41.870 40.800 0.275 0.000 1.034 185 D HN 0.517 nan 8.370 nan 0.000 0.502 186 E N 2.397 122.644 120.200 0.078 0.000 2.349 186 E HA 0.162 4.515 4.350 0.005 0.000 0.201 186 E C 1.375 178.005 176.600 0.050 0.000 1.087 186 E CA -0.343 56.111 56.400 0.091 0.000 1.128 186 E CB 0.567 30.310 29.700 0.073 0.000 1.188 186 E HN 0.551 nan 8.360 nan 0.000 0.445 187 A N 0.323 123.143 122.820 -0.001 0.000 1.948 187 A HA -0.181 4.142 4.320 0.005 0.000 0.220 187 A C 1.387 178.821 177.584 -0.250 0.000 1.177 187 A CA 1.340 53.258 52.037 -0.200 0.000 0.636 187 A CB -0.321 18.451 19.000 -0.381 0.000 0.815 187 A HN 0.318 nan 8.150 nan 0.000 0.449 188 F N -2.055 118.033 119.950 0.230 0.000 2.653 188 F HA 0.286 4.816 4.527 0.005 0.000 0.304 188 F C 1.444 177.460 175.800 0.360 0.000 1.092 188 F CA -0.368 57.874 58.000 0.403 0.000 1.279 188 F CB 0.104 39.354 39.000 0.418 0.000 1.044 188 F HN 0.144 nan 8.300 nan 0.000 0.564 189 I N 1.179 121.941 120.570 0.320 0.000 2.454 189 I HA -0.294 3.880 4.170 0.005 0.000 0.254 189 I C 1.465 177.694 176.117 0.186 0.000 1.156 189 I CA 1.717 63.158 61.300 0.235 0.000 1.433 189 I CB -0.370 37.729 38.000 0.165 0.000 1.082 189 I HN 0.065 nan 8.210 nan 0.000 0.432 190 D N -0.366 120.049 120.400 0.025 0.000 2.218 190 D HA -0.222 4.421 4.640 0.005 0.000 0.204 190 D C 1.856 178.146 176.300 -0.016 0.000 0.976 190 D CA 1.352 55.148 54.000 -0.340 0.000 0.853 190 D CB -0.545 39.463 40.800 -1.320 0.000 0.939 190 D HN 0.376 nan 8.370 nan 0.000 0.481 191 F N 0.671 120.811 119.950 0.317 0.000 2.407 191 F HA 0.151 4.682 4.527 0.007 0.000 0.299 191 F C 1.006 177.051 175.800 0.408 0.000 1.097 191 F CA 0.157 58.508 58.000 0.585 0.000 1.422 191 F CB -0.101 39.213 39.000 0.522 0.000 1.067 191 F HN -0.131 nan 8.300 nan 0.000 0.539 192 I N 0.744 121.538 120.570 0.374 0.000 2.347 192 I HA 0.100 4.273 4.170 0.005 0.000 0.294 192 I C -0.816 175.121 176.117 -0.299 0.000 1.090 192 I CA -1.085 60.246 61.300 0.052 0.000 1.314 192 I CB 0.272 38.303 38.000 0.053 0.000 1.423 192 I HN -0.106 nan 8.210 nan 0.000 0.503 193 P HA -0.295 nan 4.420 nan 0.000 0.214 193 P C 0.831 177.446 177.300 -1.142 0.000 1.099 193 P CA 3.001 65.207 63.100 -1.491 0.000 0.976 193 P CB -0.585 30.645 31.700 -0.784 0.000 0.774 194 H N -1.148 117.601 119.070 -0.535 0.000 2.508 194 H HA 0.696 5.256 4.556 0.005 0.000 0.224 194 H C -0.402 174.829 175.328 -0.162 0.000 1.723 194 H CA 0.228 56.089 56.048 -0.312 0.000 1.251 194 H CB -0.092 29.549 29.762 -0.202 0.000 1.627 194 H HN 0.415 nan 8.280 nan 0.000 0.543 195 E N 0.792 120.926 120.200 -0.110 0.000 2.283 195 E HA 0.200 4.554 4.350 0.005 0.000 0.258 195 E C 1.194 177.827 176.600 0.055 0.000 0.893 195 E CA 0.151 56.545 56.400 -0.010 0.000 0.798 195 E CB 1.449 31.158 29.700 0.015 0.000 1.242 195 E HN 0.569 nan 8.360 nan 0.000 0.414 196 T N 0.743 115.322 114.554 0.042 0.000 3.043 196 T HA 0.362 4.715 4.350 0.005 0.000 0.263 196 T C 1.118 175.868 174.700 0.084 0.000 1.094 196 T CA 0.610 62.749 62.100 0.065 0.000 1.127 196 T CB -0.195 68.685 68.868 0.021 0.000 0.905 196 T HN 0.737 nan 8.240 nan 0.000 0.490 197 G N 0.827 109.675 108.800 0.080 0.000 2.681 197 G HA2 -0.142 3.822 3.960 0.005 0.000 0.220 197 G HA3 -0.142 3.822 3.960 0.005 0.000 0.220 197 G C -0.135 174.829 174.900 0.107 0.000 1.353 197 G CA -0.154 45.040 45.100 0.156 0.000 0.872 197 G HN 0.244 nan 8.290 nan 0.000 0.557 198 F N 0.312 120.269 119.950 0.011 0.000 2.695 198 F HA 0.399 4.929 4.527 0.006 0.000 0.303 198 F C 2.569 178.363 175.800 -0.010 0.000 1.091 198 F CA 0.165 58.159 58.000 -0.009 0.000 1.300 198 F CB 0.066 39.041 39.000 -0.042 0.000 1.071 198 F HN 0.347 nan 8.300 nan 0.000 0.578 199 I N 1.072 121.716 120.570 0.123 0.000 2.264 199 I HA -0.232 3.941 4.170 0.005 0.000 0.248 199 I C -0.583 175.601 176.117 0.111 0.000 1.111 199 I CA 1.319 62.671 61.300 0.086 0.000 1.382 199 I CB -1.337 36.662 38.000 -0.002 0.000 1.060 199 I HN -0.002 nan 8.210 nan 0.000 0.418 200 P HA -0.083 nan 4.420 nan 0.000 0.234 200 P C 0.588 177.909 177.300 0.035 0.000 1.167 200 P CA 0.971 64.106 63.100 0.057 0.000 0.763 200 P CB 0.103 31.811 31.700 0.012 0.000 0.835 201 A N -1.573 121.250 122.820 0.006 0.000 2.503 201 A HA 0.211 4.535 4.320 0.005 0.000 0.263 201 A C 1.565 179.169 177.584 0.034 0.000 1.258 201 A CA -0.110 51.925 52.037 -0.003 0.000 0.936 201 A CB -0.802 18.133 19.000 -0.108 0.000 1.070 201 A HN 0.075 nan 8.150 nan 0.000 0.522 202 L N -0.727 120.515 121.223 0.030 0.000 2.217 202 L HA -0.101 4.242 4.340 0.005 0.000 0.211 202 L C 3.047 179.781 176.870 -0.227 0.000 1.107 202 L CA 1.203 55.959 54.840 -0.141 0.000 0.783 202 L CB -0.713 41.181 42.059 -0.274 0.000 0.919 202 L HN 0.469 nan 8.230 nan 0.000 0.442 203 K N 0.723 121.139 120.400 0.026 0.000 2.077 203 K HA -0.283 4.040 4.320 0.005 0.000 0.213 203 K C 1.562 178.171 176.600 0.014 0.000 1.051 203 K CA 2.407 58.792 56.287 0.164 0.000 0.929 203 K CB -1.947 30.743 32.500 0.316 0.000 0.715 203 K HN 0.616 nan 8.250 nan 0.000 0.451 204 D N 0.267 120.675 120.400 0.014 0.000 2.388 204 D HA 0.156 4.799 4.640 0.005 0.000 0.221 204 D C 0.234 176.540 176.300 0.009 0.000 1.133 204 D CA -0.155 53.852 54.000 0.011 0.000 0.831 204 D CB -0.010 40.808 40.800 0.030 0.000 0.962 204 D HN 0.486 nan 8.370 nan 0.000 0.502 205 N N 0.711 119.387 118.700 -0.039 0.000 2.726 205 N HA 0.154 4.897 4.740 0.005 0.000 0.253 205 N C -2.434 172.992 175.510 -0.141 0.000 1.530 205 N CA -0.807 52.253 53.050 0.017 0.000 0.772 205 N CB 2.302 40.791 38.487 0.002 0.000 1.220 205 N HN 0.136 nan 8.380 nan 0.000 0.508 206 P HA -0.118 nan 4.420 nan 0.000 0.239 206 P C 0.541 177.694 177.300 -0.245 0.000 1.184 206 P CA 0.965 63.899 63.100 -0.276 0.000 0.760 206 P CB -0.158 31.426 31.700 -0.194 0.000 0.884 207 H N -2.302 116.645 119.070 -0.206 0.000 2.551 207 H HA 0.370 4.930 4.556 0.006 0.000 0.271 207 H C 0.704 175.983 175.328 -0.081 0.000 0.984 207 H CA -0.516 55.477 56.048 -0.091 0.000 1.164 207 H CB -0.468 29.267 29.762 -0.045 0.000 1.437 207 H HN 0.039 nan 8.280 nan 0.000 0.550 208 I N 1.366 121.536 120.570 -0.667 0.000 2.359 208 I HA 0.184 4.357 4.170 0.005 0.000 0.294 208 I C -1.131 174.713 176.117 -0.455 0.000 0.987 208 I CA -0.733 60.258 61.300 -0.514 0.000 1.225 208 I CB 1.009 38.705 38.000 -0.508 0.000 1.366 208 I HN 0.201 nan 8.210 nan 0.000 0.466 209 W N 5.287 126.432 121.300 -0.258 0.000 2.600 209 W HA 0.587 5.250 4.660 0.006 0.000 0.325 209 W C -0.917 175.520 176.519 -0.137 0.000 1.034 209 W CA -0.644 56.598 57.345 -0.171 0.000 1.226 209 W CB 1.601 30.972 29.460 -0.149 0.000 1.379 209 W HN 0.001 nan 8.180 nan 0.000 0.466 210 V N 5.024 124.988 119.914 0.083 0.000 2.459 210 V HA 0.457 4.580 4.120 0.005 0.000 0.295 210 V C -0.112 176.009 176.094 0.045 0.000 1.029 210 V CA -1.037 61.289 62.300 0.043 0.000 0.874 210 V CB 1.233 33.064 31.823 0.013 0.000 0.985 210 V HN 0.360 nan 8.190 nan 0.000 0.438 211 L N 6.046 127.285 121.223 0.026 0.000 2.295 211 L HA 0.705 5.048 4.340 0.005 0.000 0.285 211 L C -0.009 176.778 176.870 -0.138 0.000 1.035 211 L CA -0.570 54.264 54.840 -0.011 0.000 0.806 211 L CB 1.270 43.377 42.059 0.080 0.000 1.214 211 L HN 0.505 nan 8.230 nan 0.000 0.426 212 R N 1.497 121.786 120.500 -0.351 0.000 2.837 212 R HA 0.667 5.010 4.340 0.005 0.000 0.271 212 R C -1.079 174.989 176.300 -0.387 0.000 0.993 212 R CA -0.779 55.023 56.100 -0.496 0.000 0.931 212 R CB 2.184 31.830 30.300 -1.091 0.000 1.206 212 R HN 0.581 nan 8.270 nan 0.000 0.474 213 S N 0.533 116.113 115.700 -0.201 0.000 2.549 213 S HA 0.480 4.953 4.470 0.005 0.000 0.280 213 S C -0.137 174.505 174.600 0.071 0.000 1.109 213 S CA -0.499 57.662 58.200 -0.065 0.000 0.905 213 S CB 1.125 64.255 63.200 -0.117 0.000 1.081 213 S HN 0.425 nan 8.310 nan 0.000 0.477 214 L N 3.253 124.576 121.223 0.166 0.000 2.638 214 L HA 0.197 4.540 4.340 0.005 0.000 0.232 214 L C 2.596 179.622 176.870 0.259 0.000 1.099 214 L CA 0.870 55.890 54.840 0.300 0.000 0.883 214 L CB -0.364 41.870 42.059 0.290 0.000 1.136 214 L HN 0.916 nan 8.230 nan 0.000 0.492 215 T N -2.338 112.300 114.554 0.140 0.000 2.746 215 T HA -0.206 4.147 4.350 0.005 0.000 0.267 215 T C 1.866 176.660 174.700 0.156 0.000 1.039 215 T CA 1.464 63.634 62.100 0.117 0.000 1.142 215 T CB -0.138 68.764 68.868 0.057 0.000 0.866 215 T HN 0.192 nan 8.240 nan 0.000 0.444 216 K N 0.279 120.779 120.400 0.167 0.000 2.007 216 K HA 0.197 4.520 4.320 0.005 0.000 0.206 216 K C 1.927 178.811 176.600 0.473 0.000 1.047 216 K CA 1.028 57.505 56.287 0.316 0.000 0.937 216 K CB -0.547 32.138 32.500 0.308 0.000 0.718 216 K HN 0.253 nan 8.250 nan 0.000 0.438 217 F N 0.281 120.289 119.950 0.098 0.000 2.171 217 F HA -0.148 4.381 4.527 0.004 0.000 0.300 217 F C 1.166 176.866 175.800 -0.167 0.000 1.090 217 F CA 1.362 59.162 58.000 -0.332 0.000 1.293 217 F CB 0.060 38.653 39.000 -0.679 0.000 1.013 217 F HN 0.023 nan 8.300 nan 0.000 0.486 218 Y N -0.320 120.091 120.300 0.186 0.000 2.524 218 Y HA 0.509 5.061 4.550 0.004 0.000 0.266 218 Y C 1.219 177.109 175.900 -0.017 0.000 1.180 218 Y CA 0.042 58.111 58.100 -0.053 0.000 1.244 218 Y CB -0.394 37.934 38.460 -0.221 0.000 1.125 218 Y HN 0.067 nan 8.280 nan 0.000 0.524 219 A N 1.698 124.633 122.820 0.191 0.000 2.687 219 A HA -0.240 4.083 4.320 0.005 0.000 0.299 219 A C 0.425 178.056 177.584 0.078 0.000 1.497 219 A CA 1.395 53.514 52.037 0.136 0.000 0.751 219 A CB -2.512 16.568 19.000 0.133 0.000 1.048 219 A HN 0.747 nan 8.150 nan 0.000 0.464 220 I N -3.512 117.106 120.570 0.080 0.000 3.176 220 I HA 0.294 4.468 4.170 0.005 0.000 0.339 220 I C -1.161 174.979 176.117 0.039 0.000 1.505 220 I CA -1.200 60.122 61.300 0.037 0.000 0.969 220 I CB 0.734 38.740 38.000 0.010 0.000 1.636 220 I HN 0.070 nan 8.210 nan 0.000 0.523 221 P HA -0.106 nan 4.420 nan 0.000 0.219 221 P C 1.581 178.893 177.300 0.021 0.000 1.146 221 P CA 1.760 64.883 63.100 0.037 0.000 0.808 221 P CB 0.124 31.851 31.700 0.044 0.000 0.779 222 G N -0.173 108.636 108.800 0.015 0.000 2.572 222 G HA2 -0.093 3.870 3.960 0.005 0.000 0.216 222 G HA3 -0.093 3.870 3.960 0.005 0.000 0.216 222 G C 1.593 176.493 174.900 0.000 0.000 1.133 222 G CA 0.031 45.135 45.100 0.005 0.000 0.791 222 G HN 0.235 nan 8.290 nan 0.000 0.538 223 L N -0.908 120.314 121.223 -0.001 0.000 2.270 223 L HA 0.181 4.524 4.340 0.005 0.000 0.210 223 L C 0.429 177.298 176.870 -0.002 0.000 1.104 223 L CA -0.093 54.743 54.840 -0.007 0.000 0.804 223 L CB 0.048 42.097 42.059 -0.017 0.000 0.937 223 L HN 0.107 nan 8.230 nan 0.000 0.450 224 R N 0.543 121.047 120.500 0.006 0.000 1.955 224 R HA -0.115 4.228 4.340 0.005 0.000 0.380 224 R C -1.247 175.059 176.300 0.010 0.000 1.164 224 R CA 0.289 56.395 56.100 0.010 0.000 0.888 224 R CB -1.860 28.444 30.300 0.008 0.000 2.758 224 R HN 0.157 nan 8.270 nan 0.000 0.488 225 L N 0.568 121.807 121.223 0.026 0.000 2.588 225 L HA 0.811 5.154 4.340 0.005 0.000 0.263 225 L C -0.113 176.812 176.870 0.090 0.000 0.935 225 L CA 0.489 55.352 54.840 0.038 0.000 0.891 225 L CB 2.292 44.362 42.059 0.019 0.000 1.318 225 L HN 0.731 nan 8.230 nan 0.000 0.409 226 G N 2.508 111.382 108.800 0.122 0.000 2.788 226 G HA2 0.732 4.695 3.960 0.005 0.000 0.293 226 G HA3 0.732 4.695 3.960 0.005 0.000 0.293 226 G C -2.053 173.030 174.900 0.304 0.000 1.392 226 G CA -0.132 45.062 45.100 0.157 0.000 0.810 226 G HN 0.944 nan 8.290 nan 0.000 0.508 227 Y N -3.987 116.364 120.300 0.085 0.000 2.677 227 Y HA 0.774 5.327 4.550 0.005 0.000 0.334 227 Y C -0.775 175.205 175.900 0.133 0.000 1.196 227 Y CA -1.489 56.679 58.100 0.114 0.000 1.059 227 Y CB 0.902 39.440 38.460 0.131 0.000 1.315 227 Y HN 1.155 nan 8.280 nan 0.000 0.455 228 L N 1.084 122.492 121.223 0.308 0.000 2.362 228 L HA 0.993 5.336 4.340 0.005 0.000 0.271 228 L C -1.210 175.831 176.870 0.285 0.000 1.002 228 L CA -1.244 53.741 54.840 0.242 0.000 0.818 228 L CB 1.473 43.698 42.059 0.277 0.000 1.298 228 L HN 0.761 nan 8.230 nan 0.000 0.420 229 V N 2.177 122.212 119.914 0.201 0.000 2.638 229 V HA 0.825 4.948 4.120 0.005 0.000 0.306 229 V C -0.481 175.566 176.094 -0.079 0.000 1.052 229 V CA -0.821 61.561 62.300 0.136 0.000 0.885 229 V CB 1.683 33.591 31.823 0.141 0.000 0.999 229 V HN 1.162 nan 8.190 nan 0.000 0.424 230 N N 1.322 119.855 118.700 -0.279 0.000 2.555 230 N HA 0.305 5.049 4.740 0.005 0.000 0.265 230 N C 0.217 175.153 175.510 -0.955 0.000 1.135 230 N CA 0.138 52.718 53.050 -0.784 0.000 0.925 230 N CB 2.231 39.838 38.487 -1.467 0.000 1.662 230 N HN 0.564 nan 8.380 nan 0.000 0.489 231 S N 0.536 115.492 115.700 -1.241 0.000 2.577 231 S HA 0.101 4.574 4.470 0.005 0.000 0.219 231 S C 0.011 174.138 174.600 -0.788 0.000 0.962 231 S CA -0.322 56.898 58.200 -1.633 0.000 0.921 231 S CB -0.173 61.963 63.200 -1.773 0.000 0.789 231 S HN 0.591 nan 8.310 nan 0.000 0.497 232 D N 2.178 122.216 120.400 -0.604 0.000 2.365 232 D HA 0.153 4.796 4.640 0.005 0.000 0.237 232 D C 0.116 176.308 176.300 -0.180 0.000 1.190 232 D CA -0.159 53.654 54.000 -0.313 0.000 0.867 232 D CB 0.923 41.568 40.800 -0.258 0.000 1.050 232 D HN -0.008 nan 8.370 nan 0.000 0.491 233 D N 3.372 123.723 120.400 -0.081 0.000 2.106 233 D HA -0.201 4.442 4.640 0.005 0.000 0.191 233 D C 1.754 178.068 176.300 0.022 0.000 0.997 233 D CA 1.631 55.633 54.000 0.005 0.000 0.834 233 D CB -0.141 40.684 40.800 0.041 0.000 0.956 233 D HN 0.585 nan 8.370 nan 0.000 0.448 234 A N 1.050 123.883 122.820 0.021 0.000 1.902 234 A HA -0.046 4.277 4.320 0.005 0.000 0.217 234 A C 2.336 179.964 177.584 0.074 0.000 1.181 234 A CA 2.436 54.499 52.037 0.043 0.000 0.623 234 A CB -0.747 18.275 19.000 0.037 0.000 0.818 234 A HN 0.254 nan 8.150 nan 0.000 0.443 235 A N -1.026 121.851 122.820 0.096 0.000 1.902 235 A HA -0.097 4.226 4.320 0.005 0.000 0.217 235 A C 2.166 179.906 177.584 0.260 0.000 1.181 235 A CA 1.911 54.076 52.037 0.214 0.000 0.623 235 A CB -0.454 18.764 19.000 0.362 0.000 0.818 235 A HN 0.419 nan 8.150 nan 0.000 0.443 236 M N -0.462 119.240 119.600 0.169 0.000 2.229 236 M HA -0.055 4.428 4.480 0.005 0.000 0.264 236 M C 2.454 178.831 176.300 0.127 0.000 1.063 236 M CA 1.376 56.778 55.300 0.170 0.000 1.114 236 M CB -1.389 31.256 32.600 0.075 0.000 1.387 236 M HN 0.498 nan 8.290 nan 0.000 0.420 237 A N -0.090 122.787 122.820 0.094 0.000 1.933 237 A HA -0.186 4.137 4.320 0.005 0.000 0.218 237 A C 2.358 179.987 177.584 0.074 0.000 1.175 237 A CA 1.744 53.825 52.037 0.073 0.000 0.628 237 A CB -0.665 18.369 19.000 0.058 0.000 0.814 237 A HN 0.470 nan 8.150 nan 0.000 0.444 238 R N -1.124 119.428 120.500 0.087 0.000 2.075 238 R HA -0.083 4.261 4.340 0.005 0.000 0.232 238 R C 2.058 178.404 176.300 0.076 0.000 1.126 238 R CA 1.601 57.745 56.100 0.074 0.000 0.963 238 R CB -0.254 30.091 30.300 0.076 0.000 0.858 238 R HN 0.400 nan 8.270 nan 0.000 0.435 239 M N 0.281 119.946 119.600 0.108 0.000 2.108 239 M HA -0.163 4.320 4.480 0.005 0.000 0.261 239 M C 2.133 178.489 176.300 0.093 0.000 1.066 239 M CA 1.673 57.036 55.300 0.105 0.000 1.107 239 M CB -0.795 31.904 32.600 0.165 0.000 1.356 239 M HN 0.184 nan 8.290 nan 0.000 0.406 240 R N 0.279 120.833 120.500 0.091 0.000 2.073 240 R HA -0.104 4.239 4.340 0.005 0.000 0.229 240 R C 2.278 178.608 176.300 0.051 0.000 1.120 240 R CA 1.428 57.573 56.100 0.076 0.000 0.967 240 R CB -0.308 30.033 30.300 0.068 0.000 0.862 240 R HN 0.501 nan 8.270 nan 0.000 0.436 241 R N 0.558 121.084 120.500 0.042 0.000 2.235 241 R HA -0.059 4.284 4.340 0.005 0.000 0.213 241 R C 1.321 177.632 176.300 0.017 0.000 1.059 241 R CA 1.055 57.168 56.100 0.022 0.000 0.997 241 R CB -0.089 30.222 30.300 0.019 0.000 0.884 241 R HN 0.262 nan 8.270 nan 0.000 0.462 242 Q N 1.479 121.297 119.800 0.030 0.000 2.360 242 Q HA 0.009 4.352 4.340 0.005 0.000 0.202 242 Q C 0.122 176.141 176.000 0.031 0.000 0.915 242 Q CA -0.050 55.769 55.803 0.027 0.000 0.943 242 Q CB 0.502 29.259 28.738 0.032 0.000 1.064 242 Q HN 0.546 nan 8.270 nan 0.000 0.511 243 Q N 0.218 120.041 119.800 0.038 0.000 2.471 243 Q HA 0.237 4.581 4.340 0.005 0.000 0.223 243 Q C -0.271 175.744 176.000 0.026 0.000 1.045 243 Q CA -0.286 55.545 55.803 0.048 0.000 0.956 243 Q CB 0.778 29.560 28.738 0.073 0.000 1.249 243 Q HN 0.065 nan 8.270 nan 0.000 0.549 244 M N 2.576 122.202 119.600 0.043 0.000 2.216 244 M HA 0.375 4.858 4.480 0.005 0.000 0.356 244 M C -2.211 174.105 176.300 0.026 0.000 1.205 244 M CA -2.192 53.129 55.300 0.035 0.000 1.122 244 M CB 1.252 33.891 32.600 0.065 0.000 1.571 244 M HN 0.599 nan 8.290 nan 0.000 0.464 245 P HA -0.035 nan 4.420 nan 0.000 0.275 245 P C -0.877 176.487 177.300 0.107 0.000 1.228 245 P CA 0.317 63.267 63.100 -0.250 0.000 0.786 245 P CB 0.315 31.554 31.700 -0.768 0.000 0.927 246 W N 0.228 121.659 121.300 0.219 0.000 5.770 246 W HA -0.174 4.488 4.660 0.005 0.000 0.389 246 W C 0.892 177.574 176.519 0.272 0.000 1.469 246 W CA 0.560 58.084 57.345 0.299 0.000 0.975 246 W CB -3.037 26.581 29.460 0.264 0.000 2.622 246 W HN 0.337 nan 8.180 nan 0.000 1.500 247 S N -0.268 115.667 115.700 0.392 0.000 2.382 247 S HA -0.045 4.428 4.470 0.005 0.000 0.228 247 S C 1.090 175.777 174.600 0.145 0.000 1.027 247 S CA 1.035 59.364 58.200 0.215 0.000 0.991 247 S CB 0.223 63.497 63.200 0.123 0.000 0.823 247 S HN 0.070 nan 8.310 nan 0.000 0.469 248 V N 3.930 123.900 119.914 0.092 0.000 2.432 248 V HA 0.232 4.355 4.120 0.005 0.000 0.275 248 V C 0.092 176.285 176.094 0.165 0.000 1.043 248 V CA -1.087 61.183 62.300 -0.049 0.000 0.925 248 V CB 0.776 32.264 31.823 -0.558 0.000 0.985 248 V HN 0.537 nan 8.190 nan 0.000 0.466 249 N N 4.475 123.233 118.700 0.097 0.000 2.444 249 N HA 0.343 5.087 4.740 0.005 0.000 0.255 249 N C 1.061 176.638 175.510 0.111 0.000 1.255 249 N CA 0.155 53.266 53.050 0.102 0.000 0.933 249 N CB 1.075 39.584 38.487 0.037 0.000 1.143 249 N HN 0.590 nan 8.380 nan 0.000 0.453 250 A N 1.314 124.188 122.820 0.090 0.000 1.940 250 A HA -0.132 4.191 4.320 0.005 0.000 0.219 250 A C 1.981 179.585 177.584 0.033 0.000 1.176 250 A CA 1.144 53.227 52.037 0.077 0.000 0.631 250 A CB -0.966 18.050 19.000 0.027 0.000 0.814 250 A HN 0.724 nan 8.150 nan 0.000 0.446 251 L N -1.207 120.019 121.223 0.005 0.000 2.156 251 L HA -0.101 4.242 4.340 0.005 0.000 0.208 251 L C 3.032 179.886 176.870 -0.027 0.000 1.095 251 L CA 0.841 55.670 54.840 -0.018 0.000 0.770 251 L CB -0.595 41.448 42.059 -0.027 0.000 0.914 251 L HN 0.424 nan 8.230 nan 0.000 0.439 252 A N 0.382 123.192 122.820 -0.017 0.000 1.930 252 A HA -0.112 4.211 4.320 0.005 0.000 0.217 252 A C 2.562 180.115 177.584 -0.051 0.000 1.175 252 A CA 1.587 53.603 52.037 -0.035 0.000 0.627 252 A CB -0.553 18.430 19.000 -0.027 0.000 0.815 252 A HN 0.371 nan 8.150 nan 0.000 0.443 253 A N -0.338 122.472 122.820 -0.018 0.000 1.902 253 A HA -0.019 4.304 4.320 0.005 0.000 0.217 253 A C 2.150 179.704 177.584 -0.049 0.000 1.181 253 A CA 1.709 53.735 52.037 -0.018 0.000 0.623 253 A CB -0.608 18.462 19.000 0.116 0.000 0.818 253 A HN 0.766 nan 8.150 nan 0.000 0.443 254 L N -0.271 120.929 121.223 -0.039 0.000 2.027 254 L HA -0.012 4.331 4.340 0.005 0.000 0.206 254 L C 2.634 179.440 176.870 -0.106 0.000 1.074 254 L CA 2.321 57.124 54.840 -0.062 0.000 0.745 254 L CB -0.798 41.233 42.059 -0.047 0.000 0.898 254 L HN 0.309 nan 8.230 nan 0.000 0.433 255 A N -0.218 122.535 122.820 -0.112 0.000 1.908 255 A HA -0.102 4.222 4.320 0.005 0.000 0.218 255 A C 2.351 179.800 177.584 -0.224 0.000 1.181 255 A CA 1.729 53.670 52.037 -0.159 0.000 0.627 255 A CB -1.752 17.168 19.000 -0.133 0.000 0.818 255 A HN 0.572 nan 8.150 nan 0.000 0.445 256 G N -0.362 108.321 108.800 -0.195 0.000 2.459 256 G HA2 -0.261 3.702 3.960 0.005 0.000 0.217 256 G HA3 -0.261 3.702 3.960 0.005 0.000 0.217 256 G C 1.401 176.131 174.900 -0.283 0.000 1.183 256 G CA 1.159 46.112 45.100 -0.244 0.000 0.776 256 G HN 0.659 nan 8.290 nan 0.000 0.552 257 E N -0.171 119.902 120.200 -0.213 0.000 2.058 257 E HA -0.101 4.252 4.350 0.005 0.000 0.194 257 E C 2.741 179.212 176.600 -0.215 0.000 0.997 257 E CA 1.190 57.472 56.400 -0.196 0.000 0.801 257 E CB -0.205 29.412 29.700 -0.139 0.000 0.746 257 E HN 0.302 nan 8.360 nan 0.000 0.450 258 V N 1.322 121.107 119.914 -0.214 0.000 2.307 258 V HA -0.264 3.859 4.120 0.005 0.000 0.245 258 V C 2.339 178.247 176.094 -0.308 0.000 1.045 258 V CA 1.762 63.931 62.300 -0.217 0.000 1.024 258 V CB -0.827 30.884 31.823 -0.188 0.000 0.651 258 V HN 0.349 nan 8.190 nan 0.000 0.449 259 A N -0.065 122.483 122.820 -0.453 0.000 1.948 259 A HA -0.207 4.117 4.320 0.005 0.000 0.220 259 A C 2.156 179.325 177.584 -0.692 0.000 1.177 259 A CA 1.922 53.513 52.037 -0.744 0.000 0.636 259 A CB -0.663 17.622 19.000 -1.193 0.000 0.815 259 A HN 0.537 nan 8.150 nan 0.000 0.449 260 L N -0.526 120.374 121.223 -0.538 0.000 2.456 260 L HA -0.149 4.194 4.340 0.005 0.000 0.224 260 L C 2.297 179.077 176.870 -0.151 0.000 1.148 260 L CA 0.561 55.193 54.840 -0.346 0.000 0.825 260 L CB -0.312 41.535 42.059 -0.354 0.000 0.937 260 L HN 0.422 nan 8.230 nan 0.000 0.450 261 Q N -0.877 118.827 119.800 -0.161 0.000 2.398 261 Q HA -0.007 4.337 4.340 0.005 0.000 0.204 261 Q C 0.453 176.425 176.000 -0.046 0.000 0.932 261 Q CA 0.361 56.114 55.803 -0.084 0.000 0.916 261 Q CB -0.086 28.595 28.738 -0.095 0.000 1.024 261 Q HN 0.304 nan 8.270 nan 0.000 0.504 262 D N 1.077 121.441 120.400 -0.060 0.000 2.367 262 D HA 0.101 4.744 4.640 0.005 0.000 0.255 262 D C 0.623 176.985 176.300 0.103 0.000 1.300 262 D CA 0.168 54.178 54.000 0.017 0.000 0.959 262 D CB 0.545 41.342 40.800 -0.004 0.000 1.064 262 D HN 0.183 nan 8.370 nan 0.000 0.509 263 S N 2.356 118.100 115.700 0.074 0.000 2.607 263 S HA 0.183 4.656 4.470 0.005 0.000 0.224 263 S C 1.402 176.047 174.600 0.075 0.000 0.969 263 S CA 0.663 58.908 58.200 0.076 0.000 0.927 263 S CB 0.231 63.459 63.200 0.047 0.000 0.772 263 S HN 0.475 nan 8.310 nan 0.000 0.533 264 A N -1.090 121.792 122.820 0.102 0.000 2.324 264 A HA 0.272 4.595 4.320 0.005 0.000 0.220 264 A C 1.586 179.218 177.584 0.079 0.000 1.209 264 A CA -0.081 51.998 52.037 0.070 0.000 0.918 264 A CB -0.499 18.537 19.000 0.059 0.000 0.959 264 A HN 0.749 nan 8.150 nan 0.000 0.507 265 W N 1.218 122.476 121.300 -0.070 0.000 2.355 265 W HA -0.270 4.390 4.660 0.001 0.000 0.309 265 W C 2.445 178.816 176.519 -0.247 0.000 1.206 265 W CA 2.846 60.108 57.345 -0.137 0.000 1.284 265 W CB -0.426 29.003 29.460 -0.053 0.000 1.145 265 W HN 0.541 nan 8.180 nan 0.000 0.502 266 Q N 0.230 120.004 119.800 -0.042 0.000 2.061 266 Q HA -0.282 4.061 4.340 0.005 0.000 0.204 266 Q C 1.826 177.408 176.000 -0.696 0.000 0.984 266 Q CA 2.026 57.592 55.803 -0.395 0.000 0.846 266 Q CB -1.260 27.191 28.738 -0.478 0.000 0.902 266 Q HN 0.315 nan 8.270 nan 0.000 0.421 267 Q N -0.509 119.077 119.800 -0.356 0.000 2.050 267 Q HA -0.001 4.342 4.340 0.005 0.000 0.202 267 Q C 2.400 178.382 176.000 -0.030 0.000 0.980 267 Q CA 1.901 57.637 55.803 -0.111 0.000 0.840 267 Q CB -0.753 27.983 28.738 -0.003 0.000 0.898 267 Q HN 0.743 nan 8.270 nan 0.000 0.424 268 A N -0.313 122.421 122.820 -0.142 0.000 1.908 268 A HA -0.178 4.145 4.320 0.005 0.000 0.218 268 A C 2.318 179.838 177.584 -0.106 0.000 1.181 268 A CA 2.153 54.101 52.037 -0.148 0.000 0.627 268 A CB -0.836 17.983 19.000 -0.303 0.000 0.818 268 A HN 0.448 nan 8.150 nan 0.000 0.445 269 T N -1.476 112.897 114.554 -0.302 0.000 2.737 269 T HA -0.141 4.212 4.350 0.005 0.000 0.265 269 T C 1.596 176.538 174.700 0.403 0.000 1.038 269 T CA 1.215 63.254 62.100 -0.101 0.000 1.144 269 T CB -0.302 68.247 68.868 -0.532 0.000 0.866 269 T HN 0.678 nan 8.240 nan 0.000 0.434 270 W N 1.733 123.164 121.300 0.218 0.000 2.363 270 W HA -0.041 4.622 4.660 0.006 0.000 0.296 270 W C 2.394 179.011 176.519 0.165 0.000 1.212 270 W CA 0.334 57.804 57.345 0.209 0.000 1.260 270 W CB -1.429 28.133 29.460 0.170 0.000 1.131 270 W HN 0.478 nan 8.180 nan 0.000 0.530 271 H N -1.211 118.052 119.070 0.323 0.000 2.321 271 H HA -0.236 4.325 4.556 0.008 0.000 0.300 271 H C 2.132 177.580 175.328 0.200 0.000 1.087 271 H CA 2.388 58.561 56.048 0.208 0.000 1.319 271 H CB -0.889 28.962 29.762 0.149 0.000 1.379 271 H HN 0.235 nan 8.280 nan 0.000 0.501 272 W N 1.463 122.844 121.300 0.135 0.000 2.335 272 W HA -0.210 4.452 4.660 0.004 0.000 0.311 272 W C 2.205 178.747 176.519 0.038 0.000 1.213 272 W CA 1.281 58.662 57.345 0.061 0.000 1.274 272 W CB -0.818 28.666 29.460 0.039 0.000 1.148 272 W HN 0.211 nan 8.180 nan 0.000 0.498 273 L N 2.183 123.255 121.223 -0.252 0.000 2.141 273 L HA -0.027 4.317 4.340 0.005 0.000 0.209 273 L C 2.874 179.542 176.870 -0.338 0.000 1.094 273 L CA 2.968 57.448 54.840 -0.601 0.000 0.763 273 L CB -1.591 40.363 42.059 -0.174 0.000 0.908 273 L HN 0.172 nan 8.230 nan 0.000 0.437 274 R N -0.345 120.049 120.500 -0.176 0.000 2.115 274 R HA 0.069 4.412 4.340 0.005 0.000 0.226 274 R C 1.977 178.158 176.300 -0.198 0.000 1.100 274 R CA 1.726 57.730 56.100 -0.161 0.000 0.980 274 R CB -1.600 28.634 30.300 -0.109 0.000 0.875 274 R HN 0.601 nan 8.270 nan 0.000 0.445 275 E N 0.475 120.519 120.200 -0.259 0.000 2.048 275 E HA 0.049 4.402 4.350 0.005 0.000 0.193 275 E C 1.877 178.399 176.600 -0.130 0.000 0.956 275 E CA 0.796 57.080 56.400 -0.194 0.000 0.846 275 E CB -0.690 28.874 29.700 -0.227 0.000 0.827 275 E HN 0.567 nan 8.360 nan 0.000 0.466 276 E N 0.934 121.048 120.200 -0.143 0.000 2.110 276 E HA -0.001 4.352 4.350 0.005 0.000 0.193 276 E C 2.200 178.711 176.600 -0.148 0.000 0.988 276 E CA 1.738 58.084 56.400 -0.089 0.000 0.804 276 E CB -0.867 28.849 29.700 0.027 0.000 0.745 276 E HN 0.424 nan 8.360 nan 0.000 0.458 277 G N 0.171 108.736 108.800 -0.391 0.000 2.418 277 G HA2 -0.216 3.747 3.960 0.005 0.000 0.217 277 G HA3 -0.216 3.747 3.960 0.005 0.000 0.217 277 G C 1.693 176.568 174.900 -0.042 0.000 1.158 277 G CA 1.116 46.048 45.100 -0.280 0.000 0.771 277 G HN 0.449 nan 8.290 nan 0.000 0.545 278 A N 0.448 123.226 122.820 -0.069 0.000 1.929 278 A HA 0.084 4.408 4.320 0.005 0.000 0.216 278 A C 2.326 179.957 177.584 0.079 0.000 1.176 278 A CA 1.602 53.645 52.037 0.010 0.000 0.628 278 A CB -0.380 18.602 19.000 -0.030 0.000 0.816 278 A HN 0.285 nan 8.150 nan 0.000 0.444 279 R N -1.267 119.269 120.500 0.060 0.000 2.096 279 R HA -0.148 4.195 4.340 0.005 0.000 0.235 279 R C 1.850 178.244 176.300 0.157 0.000 1.127 279 R CA 1.752 57.903 56.100 0.084 0.000 0.968 279 R CB -0.580 29.761 30.300 0.069 0.000 0.861 279 R HN 0.462 nan 8.270 nan 0.000 0.440 280 F N 0.854 120.810 119.950 0.010 0.000 2.113 280 F HA -0.219 4.312 4.527 0.006 0.000 0.297 280 F C 2.087 177.915 175.800 0.046 0.000 1.103 280 F CA 1.257 59.276 58.000 0.032 0.000 1.248 280 F CB -1.021 38.007 39.000 0.048 0.000 0.999 280 F HN 0.036 nan 8.300 nan 0.000 0.475 281 Y N 1.359 121.615 120.300 -0.073 0.000 2.128 281 Y HA -0.286 4.267 4.550 0.006 0.000 0.284 281 Y C 2.539 178.345 175.900 -0.156 0.000 1.154 281 Y CA 2.289 60.284 58.100 -0.176 0.000 1.149 281 Y CB -0.810 37.589 38.460 -0.102 0.000 0.976 281 Y HN 0.123 nan 8.280 nan 0.000 0.505 282 Q N 0.031 119.786 119.800 -0.074 0.000 2.061 282 Q HA -0.214 4.129 4.340 0.005 0.000 0.204 282 Q C 2.582 178.470 176.000 -0.187 0.000 0.984 282 Q CA 1.724 57.438 55.803 -0.148 0.000 0.846 282 Q CB -1.055 27.666 28.738 -0.029 0.000 0.902 282 Q HN 0.614 nan 8.270 nan 0.000 0.421 283 A N 0.823 123.569 122.820 -0.123 0.000 1.902 283 A HA -0.128 4.195 4.320 0.005 0.000 0.217 283 A C 2.297 179.764 177.584 -0.196 0.000 1.181 283 A CA 1.094 53.066 52.037 -0.108 0.000 0.623 283 A CB -0.733 18.262 19.000 -0.009 0.000 0.818 283 A HN 0.308 nan 8.150 nan 0.000 0.443 284 L N -0.901 120.130 121.223 -0.320 0.000 2.083 284 L HA -0.239 4.104 4.340 0.005 0.000 0.209 284 L C 2.575 179.244 176.870 -0.336 0.000 1.083 284 L CA 1.134 55.756 54.840 -0.364 0.000 0.752 284 L CB -0.575 41.176 42.059 -0.513 0.000 0.899 284 L HN 0.479 nan 8.230 nan 0.000 0.433 285 C N -0.722 118.323 119.300 -0.424 0.000 2.432 285 C HA -0.096 4.367 4.460 0.005 0.000 0.282 285 C C 2.721 177.562 174.990 -0.247 0.000 1.388 285 C CA 0.243 59.024 59.018 -0.396 0.000 1.777 285 C CB -0.670 26.753 27.740 -0.528 0.000 1.882 285 C HN 0.520 nan 8.230 nan 0.000 0.520 286 Q N 0.489 120.168 119.800 -0.203 0.000 2.297 286 Q HA 0.141 4.485 4.340 0.005 0.000 0.204 286 Q C 0.712 176.640 176.000 -0.119 0.000 0.962 286 Q CA 0.560 56.280 55.803 -0.138 0.000 0.879 286 Q CB -0.238 28.436 28.738 -0.107 0.000 0.947 286 Q HN 0.655 nan 8.270 nan 0.000 0.462 287 L N 3.630 124.772 121.223 -0.134 0.000 2.453 287 L HA 0.097 4.441 4.340 0.005 0.000 0.272 287 L C -1.778 175.029 176.870 -0.105 0.000 1.182 287 L CA -1.355 53.418 54.840 -0.112 0.000 0.858 287 L CB -0.110 41.876 42.059 -0.122 0.000 1.120 287 L HN -0.011 nan 8.230 nan 0.000 0.474 288 P HA 0.133 nan 4.420 nan 0.000 0.276 288 P C 0.084 177.339 177.300 -0.075 0.000 1.252 288 P CA -0.465 62.590 63.100 -0.075 0.000 0.802 288 P CB 1.003 32.667 31.700 -0.060 0.000 1.035 289 L N -1.814 119.367 121.223 -0.069 0.000 3.678 289 L HA -0.223 4.121 4.340 0.005 0.000 0.425 289 L C -0.047 176.780 176.870 -0.072 0.000 1.240 289 L CA 0.405 55.207 54.840 -0.063 0.000 0.876 289 L CB -1.601 40.427 42.059 -0.052 0.000 1.766 289 L HN 0.364 nan 8.230 nan 0.000 0.917 290 L N -0.641 120.528 121.223 -0.090 0.000 2.543 290 L HA 0.587 4.931 4.340 0.005 0.000 0.265 290 L C -0.129 176.666 176.870 -0.126 0.000 0.945 290 L CA 0.186 54.967 54.840 -0.098 0.000 0.869 290 L CB 2.174 44.167 42.059 -0.110 0.000 1.294 290 L HN -0.051 nan 8.230 nan 0.000 0.405 291 T N 3.807 118.284 114.554 -0.128 0.000 2.829 291 T HA 0.722 5.075 4.350 0.005 0.000 0.282 291 T C -0.859 173.723 174.700 -0.197 0.000 0.990 291 T CA -0.360 61.620 62.100 -0.200 0.000 1.028 291 T CB 1.406 70.136 68.868 -0.229 0.000 0.951 291 T HN 0.333 nan 8.240 nan 0.000 0.460 292 V N 4.218 123.989 119.914 -0.240 0.000 2.407 292 V HA 0.370 4.493 4.120 0.005 0.000 0.291 292 V C -0.919 175.175 176.094 -0.000 0.000 1.018 292 V CA -1.142 61.105 62.300 -0.087 0.000 0.842 292 V CB 0.636 32.353 31.823 -0.176 0.000 0.996 292 V HN 0.794 nan 8.190 nan 0.000 0.426 293 Y N 5.793 126.221 120.300 0.214 0.000 2.336 293 Y HA 0.306 4.859 4.550 0.005 0.000 0.331 293 Y C -1.451 174.549 175.900 0.166 0.000 1.211 293 Y CA -1.924 56.300 58.100 0.207 0.000 1.346 293 Y CB 0.790 39.365 38.460 0.191 0.000 1.271 293 Y HN 0.427 nan 8.280 nan 0.000 0.538 294 P HA 0.058 nan 4.420 nan 0.000 0.235 294 P C 0.144 177.312 177.300 -0.221 0.000 1.765 294 P CA -0.017 62.935 63.100 -0.246 0.000 1.034 294 P CB -0.353 31.237 31.700 -0.184 0.000 1.984 295 G N 2.607 111.283 108.800 -0.206 0.000 2.432 295 G HA2 -0.008 3.955 3.960 0.005 0.000 0.239 295 G HA3 -0.008 3.955 3.960 0.005 0.000 0.239 295 G C 0.979 175.689 174.900 -0.316 0.000 1.291 295 G CA -0.501 44.439 45.100 -0.267 0.000 0.863 295 G HN 0.231 nan 8.290 nan 0.000 0.560 296 R N 1.370 121.700 120.500 -0.284 0.000 2.254 296 R HA 0.225 4.568 4.340 0.005 0.000 0.195 296 R C 1.358 177.543 176.300 -0.190 0.000 0.957 296 R CA 0.726 56.703 56.100 -0.205 0.000 1.024 296 R CB -0.199 30.033 30.300 -0.113 0.000 0.952 296 R HN 0.544 nan 8.270 nan 0.000 0.484 297 A N 2.054 124.671 122.820 -0.339 0.000 3.791 297 A HA 0.220 4.543 4.320 0.005 0.000 0.159 297 A C 0.254 177.610 177.584 -0.380 0.000 1.359 297 A CA -0.366 51.520 52.037 -0.251 0.000 0.899 297 A CB 0.114 19.027 19.000 -0.146 0.000 1.642 297 A HN 0.258 nan 8.150 nan 0.000 0.612 298 N N -0.217 118.224 118.700 -0.432 0.000 2.597 298 N HA 0.271 5.014 4.740 0.005 0.000 0.269 298 N C -0.946 174.574 175.510 0.017 0.000 1.204 298 N CA 0.035 52.950 53.050 -0.225 0.000 0.947 298 N CB -0.348 37.968 38.487 -0.286 0.000 1.258 298 N HN 0.628 nan 8.380 nan 0.000 0.508 299 Y N -2.809 117.414 120.300 -0.128 0.000 2.641 299 Y HA 0.656 5.210 4.550 0.005 0.000 0.333 299 Y C -1.977 173.926 175.900 0.004 0.000 1.174 299 Y CA -1.487 56.596 58.100 -0.029 0.000 1.057 299 Y CB 0.968 39.346 38.460 -0.137 0.000 1.322 299 Y HN -0.146 nan 8.280 nan 0.000 0.457 300 L N 2.882 124.241 121.223 0.226 0.000 2.431 300 L HA 0.522 4.866 4.340 0.005 0.000 0.266 300 L C -1.355 175.655 176.870 0.233 0.000 0.978 300 L CA -1.096 53.840 54.840 0.160 0.000 0.822 300 L CB 2.314 44.461 42.059 0.147 0.000 1.310 300 L HN 0.728 nan 8.230 nan 0.000 0.409 301 L N 3.939 125.305 121.223 0.238 0.000 2.305 301 L HA 0.533 4.876 4.340 0.005 0.000 0.281 301 L C -0.928 176.164 176.870 0.370 0.000 1.085 301 L CA 0.310 55.303 54.840 0.254 0.000 0.813 301 L CB 0.717 42.859 42.059 0.139 0.000 1.157 301 L HN 0.406 nan 8.230 nan 0.000 0.436 302 L N 5.550 126.960 121.223 0.311 0.000 2.346 302 L HA 0.628 4.971 4.340 0.005 0.000 0.274 302 L C -0.215 176.792 176.870 0.228 0.000 1.007 302 L CA -0.787 54.199 54.840 0.244 0.000 0.818 302 L CB 1.774 43.934 42.059 0.169 0.000 1.284 302 L HN 0.611 nan 8.230 nan 0.000 0.424 303 R N 1.845 122.399 120.500 0.089 0.000 2.435 303 R HA 0.356 4.699 4.340 0.005 0.000 0.308 303 R C -1.066 175.187 176.300 -0.079 0.000 0.975 303 R CA -0.456 55.545 56.100 -0.164 0.000 0.867 303 R CB 1.487 31.615 30.300 -0.286 0.000 1.171 303 R HN 0.776 nan 8.270 nan 0.000 0.470 304 C N 4.635 123.936 119.300 0.002 0.000 2.576 304 C HA 0.225 4.688 4.460 0.005 0.000 0.401 304 C C 1.172 176.145 174.990 -0.027 0.000 1.314 304 C CA -0.349 58.677 59.018 0.012 0.000 1.855 304 C CB 0.249 28.041 27.740 0.086 0.000 2.537 304 C HN 0.842 nan 8.230 nan 0.000 0.578 305 E N 2.861 123.037 120.200 -0.041 0.000 2.474 305 E HA 0.026 4.379 4.350 0.005 0.000 0.194 305 E C 0.755 177.340 176.600 -0.025 0.000 1.041 305 E CA 0.135 56.512 56.400 -0.038 0.000 0.874 305 E CB -0.011 29.661 29.700 -0.047 0.000 0.914 305 E HN 0.659 nan 8.360 nan 0.000 0.498 306 R N 1.811 122.298 120.500 -0.021 0.000 2.316 306 R HA 0.166 4.509 4.340 0.005 0.000 0.314 306 R C 0.039 176.337 176.300 -0.003 0.000 1.069 306 R CA 0.148 56.237 56.100 -0.017 0.000 0.959 306 R CB 0.235 30.520 30.300 -0.026 0.000 0.987 306 R HN -0.012 nan 8.270 nan 0.000 0.446 307 E N 2.664 122.862 120.200 -0.003 0.000 2.413 307 E HA 0.158 4.512 4.350 0.005 0.000 0.263 307 E C 0.517 177.122 176.600 0.008 0.000 1.015 307 E CA 0.444 56.846 56.400 0.004 0.000 0.916 307 E CB -0.234 29.466 29.700 0.001 0.000 0.947 307 E HN 0.875 nan 8.360 nan 0.000 0.440 308 D N -1.770 118.640 120.400 0.016 0.000 2.803 308 D HA 0.322 4.965 4.640 0.005 0.000 0.233 308 D C 0.105 176.414 176.300 0.015 0.000 1.182 308 D CA 1.362 55.372 54.000 0.017 0.000 0.726 308 D CB -2.492 38.313 40.800 0.009 0.000 0.987 308 D HN 2.155 nan 8.370 nan 0.000 0.412 309 I N -0.832 119.753 120.570 0.026 0.000 2.548 309 I HA 0.640 4.813 4.170 0.005 0.000 0.287 309 I C -0.300 175.841 176.117 0.040 0.000 1.103 309 I CA -0.542 60.766 61.300 0.014 0.000 1.049 309 I CB 2.095 40.090 38.000 -0.008 0.000 1.232 309 I HN 0.332 nan 8.210 nan 0.000 0.429 310 D N 4.452 124.867 120.400 0.026 0.000 2.441 310 D HA 0.290 4.933 4.640 0.005 0.000 0.221 310 D C 0.965 177.235 176.300 -0.050 0.000 1.156 310 D CA -0.250 53.784 54.000 0.057 0.000 0.896 310 D CB 1.421 42.240 40.800 0.033 0.000 1.028 310 D HN 0.574 nan 8.370 nan 0.000 0.509 311 L N 4.029 125.126 121.223 -0.210 0.000 2.079 311 L HA -0.161 4.183 4.340 0.005 0.000 0.210 311 L C 2.240 178.891 176.870 -0.365 0.000 1.081 311 L CA 1.802 56.366 54.840 -0.461 0.000 0.752 311 L CB -0.489 40.985 42.059 -0.974 0.000 0.896 311 L HN 0.564 nan 8.230 nan 0.000 0.433 312 Q N -0.822 118.818 119.800 -0.267 0.000 2.079 312 Q HA -0.246 4.097 4.340 0.005 0.000 0.200 312 Q C 2.451 178.427 176.000 -0.040 0.000 0.974 312 Q CA 1.498 57.269 55.803 -0.055 0.000 0.840 312 Q CB -0.211 28.603 28.738 0.126 0.000 0.898 312 Q HN 0.468 nan 8.270 nan 0.000 0.430 313 R N -0.143 120.326 120.500 -0.051 0.000 2.073 313 R HA -0.196 4.148 4.340 0.005 0.000 0.234 313 R C 2.541 178.821 176.300 -0.033 0.000 1.134 313 R CA 1.917 57.988 56.100 -0.048 0.000 0.952 313 R CB -0.297 29.974 30.300 -0.049 0.000 0.850 313 R HN 0.260 nan 8.270 nan 0.000 0.433 314 R N 0.543 121.011 120.500 -0.052 0.000 2.092 314 R HA -0.080 4.263 4.340 0.005 0.000 0.231 314 R C 2.261 178.536 176.300 -0.042 0.000 1.119 314 R CA 1.542 57.614 56.100 -0.048 0.000 0.970 314 R CB -1.215 29.047 30.300 -0.065 0.000 0.864 314 R HN 0.184 nan 8.270 nan 0.000 0.440 315 L N -0.107 121.083 121.223 -0.055 0.000 2.179 315 L HA 0.103 4.446 4.340 0.005 0.000 0.208 315 L C 2.334 179.213 176.870 0.014 0.000 1.096 315 L CA 0.862 55.682 54.840 -0.033 0.000 0.779 315 L CB -0.322 41.704 42.059 -0.055 0.000 0.922 315 L HN 0.345 nan 8.230 nan 0.000 0.443 316 L N -0.959 120.283 121.223 0.032 0.000 2.131 316 L HA -0.166 4.177 4.340 0.005 0.000 0.210 316 L C 2.277 179.179 176.870 0.053 0.000 1.092 316 L CA 1.784 56.666 54.840 0.070 0.000 0.759 316 L CB -0.839 41.280 42.059 0.100 0.000 0.903 316 L HN 0.232 nan 8.230 nan 0.000 0.435 317 T N -0.817 113.754 114.554 0.029 0.000 2.881 317 T HA -0.174 4.180 4.350 0.005 0.000 0.270 317 T C 1.448 176.162 174.700 0.023 0.000 1.068 317 T CA 1.289 63.402 62.100 0.023 0.000 1.131 317 T CB -0.153 68.720 68.868 0.009 0.000 0.871 317 T HN 0.497 nan 8.240 nan 0.000 0.479 318 Q N 0.126 119.938 119.800 0.020 0.000 2.222 318 Q HA 0.292 4.636 4.340 0.005 0.000 0.206 318 Q C 0.003 176.026 176.000 0.038 0.000 0.877 318 Q CA -0.280 55.536 55.803 0.021 0.000 0.958 318 Q CB 0.380 29.122 28.738 0.007 0.000 1.075 318 Q HN 0.088 nan 8.270 nan 0.000 0.483 319 R N -0.085 120.445 120.500 0.051 0.000 3.651 319 R HA -0.158 4.186 4.340 0.005 0.000 0.292 319 R C -1.157 175.197 176.300 0.089 0.000 1.161 319 R CA 0.666 56.807 56.100 0.067 0.000 0.787 319 R CB -2.365 27.970 30.300 0.058 0.000 1.249 319 R HN 0.304 nan 8.270 nan 0.000 0.476 320 I N 0.440 121.066 120.570 0.093 0.000 2.447 320 I HA 0.296 4.469 4.170 0.005 0.000 0.287 320 I C -0.473 175.732 176.117 0.147 0.000 1.023 320 I CA -1.282 60.097 61.300 0.132 0.000 1.083 320 I CB 1.656 39.704 38.000 0.079 0.000 1.245 320 I HN -0.106 nan 8.210 nan 0.000 0.434 321 L N 8.895 130.240 121.223 0.203 0.000 2.282 321 L HA 0.664 5.008 4.340 0.005 0.000 0.288 321 L C -0.418 176.610 176.870 0.263 0.000 1.033 321 L CA -0.121 54.851 54.840 0.220 0.000 0.807 321 L CB 0.907 43.088 42.059 0.204 0.000 1.209 321 L HN 0.521 nan 8.230 nan 0.000 0.423 322 I N 1.229 121.945 120.570 0.243 0.000 3.067 322 I HA 0.697 4.870 4.170 0.005 0.000 0.312 322 I C -0.527 175.769 176.117 0.299 0.000 1.073 322 I CA -1.326 60.134 61.300 0.267 0.000 1.016 322 I CB 1.720 39.832 38.000 0.186 0.000 1.227 322 I HN 0.589 nan 8.210 nan 0.000 0.456 323 R N 2.242 122.927 120.500 0.307 0.000 2.308 323 R HA 0.406 4.749 4.340 0.005 0.000 0.305 323 R C -0.543 175.962 176.300 0.341 0.000 1.053 323 R CA -0.002 56.282 56.100 0.305 0.000 0.957 323 R CB 1.018 31.474 30.300 0.260 0.000 1.022 323 R HN 0.799 nan 8.270 nan 0.000 0.461 324 S N 3.175 119.053 115.700 0.298 0.000 2.480 324 S HA 0.227 4.700 4.470 0.005 0.000 0.286 324 S C 0.090 174.761 174.600 0.119 0.000 1.180 324 S CA -0.828 57.476 58.200 0.173 0.000 1.075 324 S CB 0.529 63.808 63.200 0.132 0.000 0.996 324 S HN 0.781 nan 8.310 nan 0.000 0.487 325 C N 4.524 123.818 119.300 -0.010 0.000 2.688 325 C HA 0.429 4.893 4.460 0.005 0.000 0.297 325 C C 2.298 177.343 174.990 0.093 0.000 1.308 325 C CA -0.008 59.094 59.018 0.139 0.000 1.726 325 C CB -1.757 25.906 27.740 -0.128 0.000 1.982 325 C HN 0.969 nan 8.230 nan 0.000 0.604 326 A N 2.490 125.300 122.820 -0.015 0.000 2.019 326 A HA -0.201 4.123 4.320 0.005 0.000 0.219 326 A C 1.801 179.381 177.584 -0.006 0.000 1.164 326 A CA 2.007 54.028 52.037 -0.027 0.000 0.644 326 A CB -0.636 18.333 19.000 -0.051 0.000 0.805 326 A HN 0.840 nan 8.150 nan 0.000 0.449 327 N N -2.575 116.122 118.700 -0.005 0.000 2.467 327 N HA 0.024 4.768 4.740 0.005 0.000 0.184 327 N C -0.111 175.314 175.510 -0.140 0.000 1.106 327 N CA -0.046 52.952 53.050 -0.087 0.000 0.892 327 N CB -0.354 38.048 38.487 -0.143 0.000 0.969 327 N HN 0.476 nan 8.380 nan 0.000 0.454 328 Y N 1.178 121.398 120.300 -0.133 0.000 2.402 328 Y HA 0.273 4.826 4.550 0.005 0.000 0.333 328 Y C -1.979 173.824 175.900 -0.162 0.000 1.076 328 Y CA -2.350 55.658 58.100 -0.154 0.000 1.299 328 Y CB 0.745 39.081 38.460 -0.206 0.000 1.197 328 Y HN -0.025 nan 8.280 nan 0.000 0.517 329 P HA 0.090 nan 4.420 nan 0.000 0.267 329 P C 0.665 177.932 177.300 -0.056 0.000 1.209 329 P CA 1.397 64.479 63.100 -0.030 0.000 0.763 329 P CB 0.692 32.376 31.700 -0.027 0.000 0.816 330 G N 2.099 110.860 108.800 -0.064 0.000 2.284 330 G HA2 -0.180 3.784 3.960 0.005 0.000 0.216 330 G HA3 -0.180 3.784 3.960 0.005 0.000 0.216 330 G C -0.096 174.695 174.900 -0.181 0.000 1.009 330 G CA -0.408 44.646 45.100 -0.076 0.000 0.625 330 G HN 0.439 nan 8.290 nan 0.000 0.501 331 L N 1.232 122.278 121.223 -0.296 0.000 2.331 331 L HA 0.748 5.091 4.340 0.005 0.000 0.268 331 L C 0.337 177.140 176.870 -0.112 0.000 1.015 331 L CA -0.491 54.088 54.840 -0.434 0.000 0.807 331 L CB 1.459 43.107 42.059 -0.684 0.000 1.293 331 L HN 0.510 nan 8.230 nan 0.000 0.451 332 D N -2.564 117.865 120.400 0.048 0.000 2.758 332 D HA 0.194 4.837 4.640 0.005 0.000 0.279 332 D C 0.499 176.850 176.300 0.085 0.000 1.111 332 D CA -0.228 53.831 54.000 0.099 0.000 1.109 332 D CB 0.833 41.718 40.800 0.142 0.000 1.428 332 D HN 0.396 nan 8.370 nan 0.000 0.586 333 S N -1.323 114.397 115.700 0.032 0.000 2.537 333 S HA -0.111 4.362 4.470 0.005 0.000 0.240 333 S C 1.362 175.912 174.600 -0.084 0.000 0.981 333 S CA 0.298 58.475 58.200 -0.039 0.000 0.948 333 S CB -0.536 62.669 63.200 0.007 0.000 0.759 333 S HN 0.436 nan 8.310 nan 0.000 0.531 334 R N -0.602 119.887 120.500 -0.017 0.000 2.240 334 R HA 0.194 4.537 4.340 0.005 0.000 0.203 334 R C -0.425 175.733 176.300 -0.238 0.000 1.011 334 R CA 0.351 56.409 56.100 -0.070 0.000 1.007 334 R CB -0.026 30.187 30.300 -0.146 0.000 0.911 334 R HN 0.472 nan 8.270 nan 0.000 0.468 335 Y N -0.369 119.748 120.300 -0.305 0.000 2.323 335 Y HA 0.309 4.862 4.550 0.005 0.000 0.331 335 Y C -0.264 175.237 175.900 -0.665 0.000 1.092 335 Y CA -0.590 57.327 58.100 -0.303 0.000 1.150 335 Y CB 0.819 39.143 38.460 -0.227 0.000 1.200 335 Y HN -0.150 nan 8.280 nan 0.000 0.472 336 Y N 0.697 121.100 120.300 0.172 0.000 2.615 336 Y HA 0.635 5.188 4.550 0.005 0.000 0.341 336 Y C -0.451 175.522 175.900 0.123 0.000 1.089 336 Y CA -1.490 56.685 58.100 0.125 0.000 1.049 336 Y CB 2.151 40.665 38.460 0.090 0.000 1.296 336 Y HN 0.398 nan 8.280 nan 0.000 0.470 337 R N 1.403 122.076 120.500 0.288 0.000 2.628 337 R HA 0.820 5.163 4.340 0.005 0.000 0.288 337 R C -2.022 174.444 176.300 0.276 0.000 0.980 337 R CA -0.878 55.361 56.100 0.231 0.000 0.891 337 R CB 1.957 32.341 30.300 0.139 0.000 1.188 337 R HN 0.617 nan 8.270 nan 0.000 0.450 338 V N 0.669 120.767 119.914 0.306 0.000 2.823 338 V HA 0.867 4.991 4.120 0.005 0.000 0.312 338 V C 0.021 176.409 176.094 0.489 0.000 1.072 338 V CA -1.005 61.543 62.300 0.413 0.000 0.937 338 V CB 1.549 33.605 31.823 0.389 0.000 1.013 338 V HN 0.935 nan 8.190 nan 0.000 0.430 339 A N 4.084 127.224 122.820 0.534 0.000 2.327 339 A HA 0.776 5.099 4.320 0.005 0.000 0.255 339 A C -0.062 177.824 177.584 0.503 0.000 1.099 339 A CA -0.528 51.738 52.037 0.382 0.000 0.801 339 A CB 0.160 19.237 19.000 0.128 0.000 1.062 339 A HN 0.917 nan 8.150 nan 0.000 0.496 340 I N 0.899 121.676 120.570 0.344 0.000 2.362 340 I HA 0.357 4.530 4.170 0.005 0.000 0.289 340 I C 0.596 176.890 176.117 0.295 0.000 0.994 340 I CA -0.157 61.302 61.300 0.264 0.000 1.158 340 I CB 1.234 39.353 38.000 0.199 0.000 1.315 340 I HN 0.777 nan 8.210 nan 0.000 0.451 341 R N 2.880 123.440 120.500 0.100 0.000 3.378 341 R HA 0.492 4.835 4.340 0.005 0.000 0.224 341 R C 0.009 176.424 176.300 0.191 0.000 1.689 341 R CA -0.735 55.403 56.100 0.063 0.000 0.985 341 R CB 0.668 30.797 30.300 -0.286 0.000 1.957 341 R HN 0.670 nan 8.270 nan 0.000 0.541 342 S N 0.035 115.755 115.700 0.033 0.000 2.584 342 S HA 0.150 4.623 4.470 0.005 0.000 0.270 342 S C 1.224 175.885 174.600 0.101 0.000 1.346 342 S CA -0.086 58.161 58.200 0.078 0.000 1.018 342 S CB 1.386 64.577 63.200 -0.015 0.000 0.899 342 S HN 0.666 nan 8.310 nan 0.000 0.542 343 A N 2.702 125.598 122.820 0.126 0.000 1.903 343 A HA -0.013 4.310 4.320 0.005 0.000 0.219 343 A C 2.467 180.095 177.584 0.072 0.000 1.191 343 A CA 2.323 54.414 52.037 0.091 0.000 0.638 343 A CB -1.801 17.258 19.000 0.099 0.000 0.823 343 A HN 1.469 nan 8.150 nan 0.000 0.451 344 A N -1.083 121.777 122.820 0.068 0.000 1.877 344 A HA -0.229 4.095 4.320 0.005 0.000 0.216 344 A C 2.143 179.782 177.584 0.091 0.000 1.186 344 A CA 1.802 53.879 52.037 0.066 0.000 0.620 344 A CB -0.600 18.430 19.000 0.051 0.000 0.822 344 A HN 0.668 nan 8.150 nan 0.000 0.443 345 Q N -0.505 119.360 119.800 0.108 0.000 2.079 345 Q HA -0.154 4.189 4.340 0.005 0.000 0.200 345 Q C 1.868 178.060 176.000 0.320 0.000 0.974 345 Q CA 1.419 57.348 55.803 0.210 0.000 0.840 345 Q CB -0.200 28.625 28.738 0.144 0.000 0.898 345 Q HN 0.623 nan 8.270 nan 0.000 0.430 346 N N 0.492 119.307 118.700 0.191 0.000 2.149 346 N HA -0.156 4.588 4.740 0.005 0.000 0.188 346 N C 1.487 177.064 175.510 0.111 0.000 1.019 346 N CA 0.924 53.984 53.050 0.017 0.000 0.857 346 N CB -0.106 38.154 38.487 -0.379 0.000 0.997 346 N HN 0.205 nan 8.380 nan 0.000 0.426 347 E N 0.830 121.091 120.200 0.102 0.000 2.106 347 E HA -0.060 4.293 4.350 0.005 0.000 0.192 347 E C 1.930 178.570 176.600 0.066 0.000 0.984 347 E CA 0.591 57.045 56.400 0.091 0.000 0.806 347 E CB -0.015 29.729 29.700 0.074 0.000 0.750 347 E HN 0.411 nan 8.360 nan 0.000 0.458 348 R N 0.124 120.667 120.500 0.071 0.000 2.090 348 R HA -0.079 4.264 4.340 0.005 0.000 0.228 348 R C 2.448 178.744 176.300 -0.007 0.000 1.110 348 R CA 0.646 56.775 56.100 0.048 0.000 0.973 348 R CB -0.346 30.004 30.300 0.084 0.000 0.869 348 R HN 0.076 nan 8.270 nan 0.000 0.440 349 L N 1.190 122.364 121.223 -0.082 0.000 2.017 349 L HA -0.129 4.214 4.340 0.005 0.000 0.208 349 L C 1.967 178.776 176.870 -0.102 0.000 1.073 349 L CA 1.616 56.312 54.840 -0.240 0.000 0.745 349 L CB -0.373 41.284 42.059 -0.670 0.000 0.894 349 L HN 0.109 nan 8.230 nan 0.000 0.432 350 L N -0.530 120.692 121.223 -0.001 0.000 2.042 350 L HA -0.208 4.136 4.340 0.005 0.000 0.210 350 L C 2.664 179.522 176.870 -0.021 0.000 1.076 350 L CA 1.323 56.166 54.840 0.005 0.000 0.749 350 L CB -0.856 41.242 42.059 0.066 0.000 0.893 350 L HN 0.402 nan 8.230 nan 0.000 0.432 351 A N -0.324 122.492 122.820 -0.007 0.000 1.972 351 A HA -0.149 4.174 4.320 0.005 0.000 0.219 351 A C 2.477 180.046 177.584 -0.026 0.000 1.169 351 A CA 1.661 53.691 52.037 -0.011 0.000 0.635 351 A CB -0.606 18.395 19.000 0.003 0.000 0.810 351 A HN 0.426 nan 8.150 nan 0.000 0.446 352 A N -0.246 122.552 122.820 -0.036 0.000 1.897 352 A HA 0.041 4.364 4.320 0.005 0.000 0.215 352 A C 2.131 179.677 177.584 -0.063 0.000 1.181 352 A CA 1.319 53.329 52.037 -0.046 0.000 0.620 352 A CB -0.553 18.415 19.000 -0.052 0.000 0.821 352 A HN 0.450 nan 8.150 nan 0.000 0.443 353 L N -0.874 120.301 121.223 -0.079 0.000 2.083 353 L HA -0.190 4.153 4.340 0.005 0.000 0.209 353 L C 2.865 179.689 176.870 -0.076 0.000 1.083 353 L CA 1.260 56.044 54.840 -0.092 0.000 0.752 353 L CB -0.479 41.515 42.059 -0.109 0.000 0.899 353 L HN 0.359 nan 8.230 nan 0.000 0.433 354 R N -0.021 120.443 120.500 -0.061 0.000 2.081 354 R HA -0.134 4.210 4.340 0.005 0.000 0.235 354 R C 2.029 178.302 176.300 -0.045 0.000 1.131 354 R CA 1.383 57.452 56.100 -0.051 0.000 0.960 354 R CB -0.514 29.763 30.300 -0.039 0.000 0.856 354 R HN 0.473 nan 8.270 nan 0.000 0.436 355 N N 0.375 119.051 118.700 -0.040 0.000 2.289 355 N HA -0.116 4.627 4.740 0.005 0.000 0.184 355 N C 1.777 177.264 175.510 -0.039 0.000 1.016 355 N CA 1.102 54.132 53.050 -0.034 0.000 0.872 355 N CB -0.001 38.470 38.487 -0.028 0.000 0.973 355 N HN 0.077 nan 8.380 nan 0.000 0.433 356 V N 0.700 120.584 119.914 -0.050 0.000 2.599 356 V HA 0.008 4.131 4.120 0.005 0.000 0.245 356 V C 2.047 178.108 176.094 -0.055 0.000 1.046 356 V CA 0.931 63.198 62.300 -0.056 0.000 1.065 356 V CB -0.069 31.709 31.823 -0.076 0.000 0.703 356 V HN 0.155 nan 8.190 nan 0.000 0.464 357 L N -0.396 120.791 121.223 -0.059 0.000 2.556 357 L HA 0.346 4.689 4.340 0.005 0.000 0.226 357 L C 1.350 178.190 176.870 -0.050 0.000 1.089 357 L CA 0.557 55.362 54.840 -0.058 0.000 0.864 357 L CB -0.615 41.402 42.059 -0.070 0.000 1.067 357 L HN 0.348 nan 8.230 nan 0.000 0.477 358 T N -0.396 114.131 114.554 -0.046 0.000 2.897 358 T HA 0.444 4.798 4.350 0.005 0.000 0.294 358 T C 1.250 175.931 174.700 -0.032 0.000 1.004 358 T CA 0.155 62.231 62.100 -0.039 0.000 1.106 358 T CB 0.450 69.295 68.868 -0.037 0.000 0.949 358 T HN 0.344 nan 8.240 nan 0.000 0.520 359 G N -0.697 108.085 108.800 -0.030 0.000 2.221 359 G HA2 0.228 4.191 3.960 0.005 0.000 0.265 359 G HA3 0.228 4.191 3.960 0.005 0.000 0.265 359 G C 0.225 175.111 174.900 -0.024 0.000 1.041 359 G CA 0.291 45.377 45.100 -0.025 0.000 0.807 359 G HN 2.095 nan 8.290 nan 0.000 0.502 360 I N -0.981 119.573 120.570 -0.027 0.000 2.406 360 I HA 0.958 5.131 4.170 0.005 0.000 0.290 360 I C 0.824 176.927 176.117 -0.024 0.000 0.999 360 I CA -0.597 60.688 61.300 -0.025 0.000 1.124 360 I CB 0.995 38.979 38.000 -0.028 0.000 1.289 360 I HN 1.623 nan 8.210 nan 0.000 0.441 361 A N 0.000 122.808 122.820 -0.020 0.000 2.254 361 A HA 0.000 4.323 4.320 0.005 0.000 0.244 361 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 361 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 361 A HN 0.000 nan 8.150 nan 0.000 0.486