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 1o79_1_B DATA FIRST_RESID 10 DATA SEQUENCE AYARTLDRAV EYLLSCQKDE GYWWGPLLSN VTMEAEYVLL CHILDRVDRD DATA SEQUENCE RMEKIRRYLL HEQREDGTWA LYPGGPPDLD TTIEAYVALK YIGMSRDEEP DATA SEQUENCE MQKALRFIQS QGGIESSRVF TRMWLALVGE YPWEKVPMVP PEIMFLGKRM DATA SEQUENCE PLNIYEFGSW ARATVVALSI VMSRQPVFPL PERARVPELY ETDVPPRRRG DATA SEQUENCE AKGGGGWIFD ALDRALHGYQ KLSVHPFRRA AEIRALDWLL ERQAGDGSWG DATA SEQUENCE GIQPPWFYAL IALKILDMTQ HPAFIKGWEG LELYGVELDY GGWMFQASIS DATA SEQUENCE PVWDTGLAVL ALRAAGLPAD HDRLVKAGEW LLDRQITVPG DWAVKRPNLK DATA SEQUENCE PGGFAFQFDN VYYPDVDDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAIE 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.467 177.584 -0.195 0.000 1.274 10 A CA 0.000 51.893 52.037 -0.240 0.000 0.836 10 A CB 0.000 18.913 19.000 -0.146 0.000 0.831 11 Y N 0.633 121.002 120.300 0.116 0.000 2.403 11 Y HA 0.309 4.860 4.550 0.001 0.000 0.291 11 Y C 2.368 178.337 175.900 0.115 0.000 1.143 11 Y CA 1.058 59.238 58.100 0.134 0.000 1.257 11 Y CB -1.447 37.132 38.460 0.198 0.000 0.984 11 Y HN 0.438 nan 8.280 nan 0.000 0.550 12 A N 1.685 124.517 122.820 0.020 0.000 1.903 12 A HA -0.313 4.007 4.320 0.001 0.000 0.219 12 A C 2.379 180.030 177.584 0.112 0.000 1.191 12 A CA 2.401 54.522 52.037 0.140 0.000 0.638 12 A CB -0.847 18.138 19.000 -0.025 0.000 0.823 12 A HN 0.555 nan 8.150 nan 0.000 0.451 13 R N -1.335 119.193 120.500 0.047 0.000 2.120 13 R HA -0.082 4.259 4.340 0.001 0.000 0.234 13 R C 2.251 178.580 176.300 0.049 0.000 1.123 13 R CA 1.684 57.803 56.100 0.033 0.000 0.975 13 R CB -0.556 29.745 30.300 0.001 0.000 0.866 13 R HN 0.602 nan 8.270 nan 0.000 0.446 14 T N 1.362 115.974 114.554 0.097 0.000 2.737 14 T HA -0.083 4.268 4.350 0.001 0.000 0.265 14 T C 1.838 176.620 174.700 0.136 0.000 1.038 14 T CA 0.814 62.974 62.100 0.099 0.000 1.144 14 T CB -0.108 68.885 68.868 0.208 0.000 0.866 14 T HN 0.126 nan 8.240 nan 0.000 0.434 15 L N 0.989 122.335 121.223 0.206 0.000 1.989 15 L HA -0.164 4.176 4.340 0.001 0.000 0.211 15 L C 2.552 179.500 176.870 0.130 0.000 1.071 15 L CA 1.495 56.452 54.840 0.196 0.000 0.749 15 L CB -0.495 41.694 42.059 0.217 0.000 0.890 15 L HN 0.237 nan 8.230 nan 0.000 0.431 16 D N -0.393 120.069 120.400 0.103 0.000 2.123 16 D HA -0.202 4.439 4.640 0.001 0.000 0.196 16 D C 2.280 178.611 176.300 0.053 0.000 0.992 16 D CA 1.269 55.311 54.000 0.071 0.000 0.833 16 D CB -0.108 40.724 40.800 0.054 0.000 0.954 16 D HN 0.324 nan 8.370 nan 0.000 0.455 17 R N 0.419 120.936 120.500 0.028 0.000 2.115 17 R HA 0.039 4.379 4.340 0.001 0.000 0.226 17 R C 2.256 178.560 176.300 0.008 0.000 1.100 17 R CA 0.913 57.007 56.100 -0.011 0.000 0.980 17 R CB -0.078 30.174 30.300 -0.080 0.000 0.875 17 R HN 0.074 nan 8.270 nan 0.000 0.445 18 A N 0.601 123.446 122.820 0.042 0.000 1.929 18 A HA -0.059 4.261 4.320 0.001 0.000 0.216 18 A C 2.280 179.968 177.584 0.173 0.000 1.176 18 A CA 0.936 53.054 52.037 0.135 0.000 0.628 18 A CB -0.310 18.862 19.000 0.287 0.000 0.816 18 A HN 0.069 nan 8.150 nan 0.000 0.444 19 V N 1.390 121.374 119.914 0.116 0.000 2.237 19 V HA -0.316 3.804 4.120 0.001 0.000 0.245 19 V C 2.570 178.709 176.094 0.074 0.000 1.046 19 V CA 2.360 64.706 62.300 0.077 0.000 1.007 19 V CB -1.153 30.704 31.823 0.058 0.000 0.638 19 V HN 0.905 nan 8.190 nan 0.000 0.445 20 E N -0.388 119.858 120.200 0.076 0.000 2.209 20 E HA -0.317 4.034 4.350 0.001 0.000 0.196 20 E C 2.148 178.796 176.600 0.081 0.000 0.993 20 E CA 1.995 58.434 56.400 0.065 0.000 0.819 20 E CB -0.568 29.165 29.700 0.055 0.000 0.745 20 E HN 0.701 nan 8.360 nan 0.000 0.477 21 Y N 1.667 121.954 120.300 -0.022 0.000 2.153 21 Y HA -0.065 4.486 4.550 0.001 0.000 0.289 21 Y C 2.061 177.952 175.900 -0.015 0.000 1.127 21 Y CA 1.301 59.371 58.100 -0.050 0.000 1.131 21 Y CB -0.339 38.063 38.460 -0.096 0.000 0.995 21 Y HN -0.041 nan 8.280 nan 0.000 0.505 22 L N -0.362 120.827 121.223 -0.056 0.000 1.990 22 L HA -0.310 4.031 4.340 0.001 0.000 0.213 22 L C 2.523 179.479 176.870 0.142 0.000 1.072 22 L CA 1.766 56.569 54.840 -0.062 0.000 0.755 22 L CB -0.855 41.166 42.059 -0.064 0.000 0.889 22 L HN 0.289 nan 8.230 nan 0.000 0.432 23 L N -0.420 120.871 121.223 0.114 0.000 2.189 23 L HA -0.240 4.100 4.340 0.001 0.000 0.214 23 L C 2.838 179.690 176.870 -0.030 0.000 1.097 23 L CA 1.497 56.402 54.840 0.108 0.000 0.764 23 L CB -0.570 41.511 42.059 0.037 0.000 0.900 23 L HN 0.450 nan 8.230 nan 0.000 0.436 24 S N -1.591 114.053 115.700 -0.093 0.000 2.371 24 S HA -0.184 4.287 4.470 0.001 0.000 0.224 24 S C 2.011 176.483 174.600 -0.213 0.000 1.029 24 S CA 1.026 59.135 58.200 -0.152 0.000 0.978 24 S CB -0.911 62.199 63.200 -0.150 0.000 0.833 24 S HN 0.447 nan 8.310 nan 0.000 0.466 25 C N 1.803 120.952 119.300 -0.251 0.000 2.437 25 C HA 0.138 4.598 4.460 0.001 0.000 0.283 25 C C 1.575 176.404 174.990 -0.267 0.000 1.424 25 C CA -0.075 58.815 59.018 -0.213 0.000 1.782 25 C CB -1.748 25.882 27.740 -0.184 0.000 1.833 25 C HN 0.726 nan 8.230 nan 0.000 0.532 26 Q N 1.664 121.187 119.800 -0.461 0.000 2.255 26 Q HA 0.065 4.405 4.340 0.001 0.000 0.280 26 Q C 0.023 175.565 176.000 -0.762 0.000 1.068 26 Q CA 0.412 55.542 55.803 -1.121 0.000 0.911 26 Q CB 0.536 28.488 28.738 -1.310 0.000 1.157 26 Q HN 0.360 nan 8.270 nan 0.000 0.380 27 K N 2.884 122.775 120.400 -0.849 0.000 2.188 27 K HA -0.037 4.284 4.320 0.001 0.000 0.246 27 K C 0.336 176.564 176.600 -0.619 0.000 1.026 27 K CA 0.323 56.184 56.287 -0.709 0.000 0.871 27 K CB 0.379 32.262 32.500 -1.028 0.000 1.042 27 K HN 0.607 nan 8.250 nan 0.000 0.509 28 D N 0.747 120.888 120.400 -0.432 0.000 2.084 28 D HA -0.126 4.514 4.640 0.001 0.000 0.194 28 D C 1.185 177.314 176.300 -0.285 0.000 0.990 28 D CA 1.310 55.133 54.000 -0.296 0.000 0.826 28 D CB -0.025 40.665 40.800 -0.184 0.000 0.971 28 D HN 0.494 nan 8.370 nan 0.000 0.453 29 E N -0.407 119.625 120.200 -0.279 0.000 2.333 29 E HA 0.014 4.364 4.350 0.001 0.000 0.200 29 E C 1.464 177.944 176.600 -0.200 0.000 1.010 29 E CA 1.204 57.535 56.400 -0.115 0.000 0.841 29 E CB -0.331 29.443 29.700 0.123 0.000 0.757 29 E HN 0.393 nan 8.360 nan 0.000 0.508 30 G N -1.057 107.456 108.800 -0.478 0.000 2.148 30 G HA2 -0.237 3.724 3.960 0.001 0.000 0.203 30 G HA3 -0.237 3.724 3.960 0.001 0.000 0.203 30 G C -0.242 174.248 174.900 -0.682 0.000 0.993 30 G CA -0.027 44.780 45.100 -0.488 0.000 0.661 30 G HN 0.315 nan 8.290 nan 0.000 0.518 31 Y N -1.644 118.125 120.300 -0.885 0.000 2.598 31 Y HA 0.878 5.429 4.550 0.001 0.000 0.340 31 Y C -0.092 175.408 175.900 -0.668 0.000 1.038 31 Y CA -3.054 54.494 58.100 -0.921 0.000 1.100 31 Y CB 1.096 38.554 38.460 -1.670 0.000 1.281 31 Y HN 0.080 nan 8.280 nan 0.000 0.488 32 W N 1.235 122.483 121.300 -0.087 0.000 2.578 32 W HA 0.389 5.049 4.660 0.001 0.000 0.353 32 W C -1.635 175.045 176.519 0.269 0.000 1.088 32 W CA -0.780 56.560 57.345 -0.007 0.000 1.235 32 W CB 2.045 31.469 29.460 -0.060 0.000 1.362 32 W HN 0.784 nan 8.180 nan 0.000 0.592 33 W N 2.011 123.442 121.300 0.218 0.000 2.783 33 W HA 0.423 5.084 4.660 0.001 0.000 0.304 33 W C -0.957 175.598 176.519 0.060 0.000 1.056 33 W CA -1.321 56.097 57.345 0.122 0.000 1.175 33 W CB 0.210 29.790 29.460 0.199 0.000 1.029 33 W HN 0.363 nan 8.180 nan 0.000 0.331 34 G N 4.584 113.462 108.800 0.129 0.000 2.377 34 G HA2 0.634 4.594 3.960 0.001 0.000 0.299 34 G HA3 0.634 4.594 3.960 0.001 0.000 0.299 34 G C -2.736 172.028 174.900 -0.228 0.000 1.150 34 G CA -1.357 43.703 45.100 -0.067 0.000 0.847 34 G HN 0.107 nan 8.290 nan 0.000 0.501 35 P HA 0.158 nan 4.420 nan 0.000 0.269 35 P C -0.526 176.635 177.300 -0.232 0.000 1.215 35 P CA -0.420 62.476 63.100 -0.339 0.000 0.780 35 P CB 0.901 32.407 31.700 -0.324 0.000 0.898 36 L N 3.661 124.749 121.223 -0.224 0.000 2.296 36 L HA 0.358 4.699 4.340 0.001 0.000 0.286 36 L C -1.051 175.683 176.870 -0.227 0.000 1.023 36 L CA -0.305 54.375 54.840 -0.266 0.000 0.812 36 L CB 0.485 42.414 42.059 -0.216 0.000 1.223 36 L HN 0.126 nan 8.230 nan 0.000 0.421 37 L N 3.852 124.903 121.223 -0.287 0.000 2.344 37 L HA 0.701 5.041 4.340 0.001 0.000 0.272 37 L C 0.602 177.362 176.870 -0.184 0.000 1.035 37 L CA -0.039 54.690 54.840 -0.185 0.000 0.807 37 L CB 1.188 43.151 42.059 -0.160 0.000 1.237 37 L HN 0.922 nan 8.230 nan 0.000 0.442 38 S N 1.490 117.216 115.700 0.043 0.000 4.143 38 S HA 0.553 5.024 4.470 0.001 0.000 0.215 38 S C -0.440 174.272 174.600 0.186 0.000 1.163 38 S CA -0.440 57.769 58.200 0.015 0.000 1.458 38 S CB 1.389 64.557 63.200 -0.053 0.000 1.636 38 S HN 0.657 nan 8.310 nan 0.000 0.716 39 N N -0.269 118.518 118.700 0.144 0.000 2.761 39 N HA 0.503 5.244 4.740 0.001 0.000 0.283 39 N C 0.588 176.214 175.510 0.193 0.000 1.377 39 N CA -0.405 52.755 53.050 0.183 0.000 0.791 39 N CB 0.901 39.488 38.487 0.167 0.000 1.540 39 N HN 0.767 nan 8.380 nan 0.000 0.539 40 V N -3.549 116.428 119.914 0.105 0.000 3.305 40 V HA -0.093 4.028 4.120 0.001 0.000 0.269 40 V C 1.738 177.821 176.094 -0.017 0.000 1.157 40 V CA 1.585 63.909 62.300 0.040 0.000 1.157 40 V CB -1.941 29.718 31.823 -0.273 0.000 0.772 40 V HN 0.905 nan 8.190 nan 0.000 0.498 41 T N -2.714 111.840 114.554 -0.000 0.000 2.929 41 T HA -0.156 4.194 4.350 0.001 0.000 0.271 41 T C 1.779 176.408 174.700 -0.118 0.000 1.085 41 T CA 1.621 63.672 62.100 -0.081 0.000 1.125 41 T CB -0.384 68.463 68.868 -0.036 0.000 0.874 41 T HN 0.353 nan 8.240 nan 0.000 0.494 42 M N 1.475 121.074 119.600 -0.001 0.000 2.062 42 M HA 0.045 4.525 4.480 0.001 0.000 0.259 42 M C 2.336 178.631 176.300 -0.008 0.000 1.076 42 M CA 1.733 57.019 55.300 -0.023 0.000 1.122 42 M CB -1.264 31.424 32.600 0.147 0.000 1.312 42 M HN 0.260 nan 8.290 nan 0.000 0.412 43 E N 1.015 121.269 120.200 0.090 0.000 2.085 43 E HA -0.092 4.259 4.350 0.001 0.000 0.194 43 E C 2.115 178.777 176.600 0.103 0.000 0.994 43 E CA 1.698 58.190 56.400 0.154 0.000 0.801 43 E CB -0.647 29.197 29.700 0.241 0.000 0.743 43 E HN 0.532 nan 8.360 nan 0.000 0.453 44 A N 0.879 123.681 122.820 -0.031 0.000 1.908 44 A HA -0.261 4.059 4.320 0.001 0.000 0.218 44 A C 2.018 179.441 177.584 -0.269 0.000 1.181 44 A CA 1.826 53.775 52.037 -0.147 0.000 0.627 44 A CB -0.504 18.358 19.000 -0.231 0.000 0.818 44 A HN 0.227 nan 8.150 nan 0.000 0.445 45 E N -2.011 117.952 120.200 -0.396 0.000 2.152 45 E HA -0.140 4.211 4.350 0.001 0.000 0.192 45 E C 1.754 178.156 176.600 -0.330 0.000 0.983 45 E CA 1.041 56.982 56.400 -0.765 0.000 0.818 45 E CB -0.249 28.876 29.700 -0.958 0.000 0.758 45 E HN 0.789 nan 8.360 nan 0.000 0.467 46 Y N 0.870 121.108 120.300 -0.103 0.000 2.145 46 Y HA -0.264 4.287 4.550 0.001 0.000 0.286 46 Y C 2.023 177.857 175.900 -0.110 0.000 1.145 46 Y CA 1.239 59.338 58.100 -0.002 0.000 1.148 46 Y CB -0.323 38.155 38.460 0.031 0.000 0.981 46 Y HN -0.175 nan 8.280 nan 0.000 0.507 47 V N 0.736 120.712 119.914 0.104 0.000 2.282 47 V HA -0.368 3.752 4.120 0.001 0.000 0.249 47 V C 2.513 178.460 176.094 -0.244 0.000 1.057 47 V CA 2.240 64.521 62.300 -0.032 0.000 1.032 47 V CB -0.877 30.918 31.823 -0.046 0.000 0.645 47 V HN 0.476 nan 8.190 nan 0.000 0.447 48 L N -0.998 120.063 121.223 -0.270 0.000 2.056 48 L HA -0.169 4.172 4.340 0.001 0.000 0.207 48 L C 2.479 179.341 176.870 -0.013 0.000 1.078 48 L CA 1.214 55.945 54.840 -0.183 0.000 0.749 48 L CB -0.615 41.357 42.059 -0.145 0.000 0.901 48 L HN 0.355 nan 8.230 nan 0.000 0.433 49 L N -0.157 121.039 121.223 -0.044 0.000 2.013 49 L HA -0.273 4.068 4.340 0.001 0.000 0.212 49 L C 2.618 179.366 176.870 -0.203 0.000 1.073 49 L CA 1.899 56.707 54.840 -0.053 0.000 0.753 49 L CB -0.821 41.060 42.059 -0.297 0.000 0.890 49 L HN 0.259 nan 8.230 nan 0.000 0.432 50 C N -0.652 118.470 119.300 -0.297 0.000 2.393 50 C HA -0.247 4.213 4.460 0.001 0.000 0.276 50 C C 2.706 177.611 174.990 -0.142 0.000 1.215 50 C CA 1.222 60.113 59.018 -0.212 0.000 1.743 50 C CB -1.467 26.171 27.740 -0.170 0.000 2.044 50 C HN 0.840 nan 8.230 nan 0.000 0.464 51 H N 1.069 120.019 119.070 -0.201 0.000 2.321 51 H HA -0.145 4.412 4.556 0.001 0.000 0.295 51 H C 1.912 177.153 175.328 -0.144 0.000 1.102 51 H CA 2.266 58.238 56.048 -0.128 0.000 1.266 51 H CB -0.321 29.294 29.762 -0.245 0.000 1.363 51 H HN 0.308 nan 8.280 nan 0.000 0.492 52 I N 0.442 120.791 120.570 -0.368 0.000 2.163 52 I HA -0.236 3.935 4.170 0.001 0.000 0.243 52 I C 2.192 177.913 176.117 -0.659 0.000 1.085 52 I CA 1.220 62.106 61.300 -0.690 0.000 1.347 52 I CB -1.190 36.475 38.000 -0.557 0.000 1.044 52 I HN 0.342 nan 8.210 nan 0.000 0.408 53 L N 0.359 121.332 121.223 -0.416 0.000 2.627 53 L HA -0.013 4.327 4.340 0.001 0.000 0.233 53 L C 0.283 176.961 176.870 -0.321 0.000 1.144 53 L CA 0.130 54.766 54.840 -0.341 0.000 0.892 53 L CB -0.791 41.083 42.059 -0.308 0.000 1.039 53 L HN 0.262 nan 8.230 nan 0.000 0.442 54 D N 1.765 121.989 120.400 -0.294 0.000 2.689 54 D HA -0.229 4.412 4.640 0.001 0.000 0.237 54 D C 0.192 176.392 176.300 -0.167 0.000 1.148 54 D CA 0.719 54.602 54.000 -0.194 0.000 0.656 54 D CB -0.291 40.410 40.800 -0.164 0.000 1.050 54 D HN 0.362 nan 8.370 nan 0.000 0.426 55 R N 0.025 120.421 120.500 -0.173 0.000 2.681 55 R HA 0.332 4.672 4.340 0.001 0.000 0.277 55 R C -0.885 175.417 176.300 0.003 0.000 1.563 55 R CA -0.660 55.356 56.100 -0.139 0.000 1.673 55 R CB 1.291 31.361 30.300 -0.384 0.000 1.258 55 R HN -0.033 nan 8.270 nan 0.000 0.650 56 V N 1.289 121.228 119.914 0.042 0.000 2.383 56 V HA 0.130 4.251 4.120 0.001 0.000 0.275 56 V C -0.071 176.073 176.094 0.085 0.000 1.036 56 V CA -0.548 61.809 62.300 0.094 0.000 0.889 56 V CB 1.648 33.568 31.823 0.162 0.000 0.985 56 V HN 0.366 nan 8.190 nan 0.000 0.459 57 D N 4.436 124.885 120.400 0.082 0.000 2.454 57 D HA 0.280 4.920 4.640 0.001 0.000 0.225 57 D C 1.334 177.659 176.300 0.041 0.000 1.081 57 D CA -0.539 53.493 54.000 0.053 0.000 0.864 57 D CB 0.762 41.583 40.800 0.036 0.000 1.040 57 D HN 0.221 nan 8.370 nan 0.000 0.517 58 R N 2.416 122.943 120.500 0.044 0.000 2.178 58 R HA -0.199 4.142 4.340 0.001 0.000 0.257 58 R C 1.231 177.548 176.300 0.027 0.000 1.163 58 R CA 1.207 57.331 56.100 0.041 0.000 0.981 58 R CB -0.363 29.956 30.300 0.032 0.000 0.878 58 R HN 0.656 nan 8.270 nan 0.000 0.454 59 D N 0.021 120.428 120.400 0.011 0.000 2.117 59 D HA -0.158 4.483 4.640 0.001 0.000 0.198 59 D C 1.892 178.174 176.300 -0.030 0.000 0.982 59 D CA 0.875 54.874 54.000 -0.003 0.000 0.828 59 D CB 0.162 40.956 40.800 -0.010 0.000 0.967 59 D HN 0.008 nan 8.370 nan 0.000 0.464 60 R N 0.059 120.516 120.500 -0.072 0.000 2.073 60 R HA -0.016 4.325 4.340 0.001 0.000 0.229 60 R C 2.365 178.620 176.300 -0.075 0.000 1.120 60 R CA 0.981 56.974 56.100 -0.179 0.000 0.967 60 R CB -0.562 29.565 30.300 -0.289 0.000 0.862 60 R HN 0.121 nan 8.270 nan 0.000 0.436 61 M N 0.831 120.438 119.600 0.011 0.000 2.106 61 M HA -0.159 4.322 4.480 0.001 0.000 0.259 61 M C 1.804 178.158 176.300 0.089 0.000 1.068 61 M CA 1.611 56.958 55.300 0.079 0.000 1.100 61 M CB -0.947 31.718 32.600 0.108 0.000 1.351 61 M HN 0.131 nan 8.290 nan 0.000 0.404 62 E N 0.810 121.051 120.200 0.068 0.000 2.038 62 E HA -0.162 4.189 4.350 0.001 0.000 0.195 62 E C 2.025 178.696 176.600 0.118 0.000 1.000 62 E CA 1.323 57.772 56.400 0.083 0.000 0.803 62 E CB -0.307 29.429 29.700 0.061 0.000 0.750 62 E HN 0.525 nan 8.360 nan 0.000 0.448 63 K N 0.286 120.750 120.400 0.107 0.000 2.103 63 K HA -0.083 4.238 4.320 0.001 0.000 0.207 63 K C 2.325 179.081 176.600 0.260 0.000 1.048 63 K CA 1.018 57.407 56.287 0.170 0.000 0.930 63 K CB -0.194 32.391 32.500 0.142 0.000 0.716 63 K HN 0.146 nan 8.250 nan 0.000 0.444 64 I N 0.567 121.280 120.570 0.238 0.000 2.315 64 I HA -0.256 3.915 4.170 0.001 0.000 0.248 64 I C 2.661 178.965 176.117 0.310 0.000 1.117 64 I CA 0.995 62.486 61.300 0.319 0.000 1.404 64 I CB -0.209 37.946 38.000 0.258 0.000 1.071 64 I HN 0.176 nan 8.210 nan 0.000 0.419 65 R N 1.085 121.720 120.500 0.224 0.000 2.092 65 R HA -0.131 4.210 4.340 0.001 0.000 0.231 65 R C 2.485 178.916 176.300 0.218 0.000 1.119 65 R CA 1.185 57.401 56.100 0.192 0.000 0.970 65 R CB -0.009 30.374 30.300 0.138 0.000 0.864 65 R HN 0.292 nan 8.270 nan 0.000 0.440 66 R N -0.756 119.891 120.500 0.244 0.000 2.070 66 R HA -0.210 4.130 4.340 0.001 0.000 0.233 66 R C 2.265 178.761 176.300 0.327 0.000 1.137 66 R CA 1.865 58.114 56.100 0.248 0.000 0.945 66 R CB -0.841 29.632 30.300 0.289 0.000 0.845 66 R HN 0.282 nan 8.270 nan 0.000 0.430 67 Y N 2.173 122.673 120.300 0.334 0.000 2.053 67 Y HA -0.286 4.265 4.550 0.001 0.000 0.277 67 Y C 2.100 178.199 175.900 0.332 0.000 1.159 67 Y CA 1.651 59.983 58.100 0.387 0.000 1.125 67 Y CB -0.674 37.969 38.460 0.305 0.000 0.969 67 Y HN -0.048 nan 8.280 nan 0.000 0.492 68 L N -0.723 120.605 121.223 0.174 0.000 1.978 68 L HA -0.336 4.005 4.340 0.001 0.000 0.218 68 L C 2.549 179.602 176.870 0.306 0.000 1.075 68 L CA 1.452 56.354 54.840 0.103 0.000 0.767 68 L CB -0.973 41.166 42.059 0.133 0.000 0.890 68 L HN 0.323 nan 8.230 nan 0.000 0.434 69 L N -0.667 120.702 121.223 0.244 0.000 1.994 69 L HA -0.271 4.069 4.340 0.001 0.000 0.208 69 L C 2.605 179.494 176.870 0.032 0.000 1.071 69 L CA 2.139 57.077 54.840 0.164 0.000 0.745 69 L CB -1.663 40.459 42.059 0.105 0.000 0.892 69 L HN 0.412 nan 8.230 nan 0.000 0.431 70 H N 0.375 119.396 119.070 -0.081 0.000 2.431 70 H HA -0.187 4.370 4.556 0.001 0.000 0.297 70 H C 1.831 177.062 175.328 -0.161 0.000 1.115 70 H CA 1.868 57.794 56.048 -0.203 0.000 1.277 70 H CB 0.302 29.835 29.762 -0.381 0.000 1.372 70 H HN 0.252 nan 8.280 nan 0.000 0.516 71 E N 0.333 120.444 120.200 -0.150 0.000 2.442 71 E HA -0.044 4.307 4.350 0.001 0.000 0.195 71 E C 0.408 176.860 176.600 -0.248 0.000 1.030 71 E CA 0.087 56.396 56.400 -0.152 0.000 0.869 71 E CB -0.007 29.646 29.700 -0.078 0.000 0.857 71 E HN 0.665 nan 8.360 nan 0.000 0.505 72 Q N 1.276 120.823 119.800 -0.421 0.000 2.352 72 Q HA 0.141 4.481 4.340 0.001 0.000 0.260 72 Q C -0.486 175.137 176.000 -0.629 0.000 0.976 72 Q CA -0.146 55.049 55.803 -1.013 0.000 0.881 72 Q CB 0.639 28.796 28.738 -0.968 0.000 1.235 72 Q HN -0.151 nan 8.270 nan 0.000 0.419 73 R N 1.821 121.949 120.500 -0.620 0.000 2.553 73 R HA 0.138 4.478 4.340 0.001 0.000 0.263 73 R C 1.123 177.216 176.300 -0.345 0.000 1.066 73 R CA -0.541 55.314 56.100 -0.408 0.000 1.135 73 R CB 0.417 30.505 30.300 -0.353 0.000 1.148 73 R HN 0.695 nan 8.270 nan 0.000 0.558 74 E N 1.208 121.255 120.200 -0.254 0.000 2.108 74 E HA -0.291 4.059 4.350 0.001 0.000 0.203 74 E C 0.947 177.430 176.600 -0.195 0.000 1.022 74 E CA 2.445 58.727 56.400 -0.197 0.000 0.823 74 E CB -0.158 29.450 29.700 -0.153 0.000 0.744 74 E HN 0.705 nan 8.360 nan 0.000 0.456 75 D N -1.118 119.152 120.400 -0.217 0.000 2.378 75 D HA 0.003 4.643 4.640 0.001 0.000 0.222 75 D C 1.166 177.326 176.300 -0.232 0.000 0.980 75 D CA 0.914 54.791 54.000 -0.204 0.000 0.907 75 D CB -0.146 40.516 40.800 -0.230 0.000 0.899 75 D HN 0.274 nan 8.370 nan 0.000 0.527 76 G N -0.265 108.351 108.800 -0.306 0.000 2.149 76 G HA2 -0.223 3.737 3.960 0.001 0.000 0.235 76 G HA3 -0.223 3.737 3.960 0.001 0.000 0.235 76 G C 0.341 174.961 174.900 -0.466 0.000 1.018 76 G CA 0.556 45.446 45.100 -0.350 0.000 0.728 76 G HN 0.861 nan 8.290 nan 0.000 0.508 77 T N -3.521 110.696 114.554 -0.562 0.000 2.858 77 T HA 0.779 5.129 4.350 0.001 0.000 0.285 77 T C -0.565 173.808 174.700 -0.545 0.000 1.052 77 T CA -1.005 60.821 62.100 -0.457 0.000 1.009 77 T CB 2.321 70.878 68.868 -0.518 0.000 1.241 77 T HN 0.548 nan 8.240 nan 0.000 0.542 78 W N 0.093 121.322 121.300 -0.118 0.000 2.819 78 W HA 0.694 5.355 4.660 0.001 0.000 0.337 78 W C -0.116 176.349 176.519 -0.091 0.000 1.077 78 W CA -1.141 56.145 57.345 -0.099 0.000 1.226 78 W CB 2.334 31.768 29.460 -0.044 0.000 1.419 78 W HN 1.098 nan 8.180 nan 0.000 0.502 79 A N 1.970 124.837 122.820 0.078 0.000 2.312 79 A HA 0.666 4.986 4.320 0.001 0.000 0.310 79 A C 0.449 178.074 177.584 0.068 0.000 1.139 79 A CA -0.556 51.477 52.037 -0.006 0.000 0.886 79 A CB 1.129 19.990 19.000 -0.231 0.000 1.350 79 A HN 0.721 nan 8.150 nan 0.000 0.479 80 L N -0.957 120.346 121.223 0.134 0.000 2.418 80 L HA 0.125 4.465 4.340 0.001 0.000 0.218 80 L C -0.141 176.913 176.870 0.306 0.000 1.125 80 L CA 0.750 55.781 54.840 0.317 0.000 0.835 80 L CB -0.543 41.847 42.059 0.551 0.000 0.953 80 L HN 0.769 nan 8.230 nan 0.000 0.454 81 Y N -3.226 116.981 120.300 -0.155 0.000 2.609 81 Y HA 0.578 5.128 4.550 0.001 0.000 0.336 81 Y C -2.965 172.688 175.900 -0.410 0.000 1.129 81 Y CA -4.016 53.772 58.100 -0.520 0.000 1.040 81 Y CB -0.418 37.751 38.460 -0.486 0.000 1.310 81 Y HN -0.239 nan 8.280 nan 0.000 0.460 82 P HA 0.195 nan 4.420 nan 0.000 0.263 82 P C 0.717 177.903 177.300 -0.189 0.000 1.195 82 P CA 1.637 64.573 63.100 -0.274 0.000 0.762 82 P CB 0.809 32.388 31.700 -0.202 0.000 0.799 83 G N 2.129 110.792 108.800 -0.229 0.000 2.143 83 G HA2 -0.146 3.814 3.960 0.001 0.000 0.248 83 G HA3 -0.146 3.814 3.960 0.001 0.000 0.248 83 G C 0.441 175.122 174.900 -0.364 0.000 0.991 83 G CA -0.166 44.828 45.100 -0.178 0.000 0.689 83 G HN 0.908 nan 8.290 nan 0.000 0.522 84 G N -0.153 108.227 108.800 -0.700 0.000 2.462 84 G HA2 0.781 4.742 3.960 0.001 0.000 0.319 84 G HA3 0.781 4.742 3.960 0.001 0.000 0.319 84 G C -1.700 172.904 174.900 -0.494 0.000 1.171 84 G CA -0.780 43.687 45.100 -1.055 0.000 0.920 84 G HN 0.255 nan 8.290 nan 0.000 0.499 85 P HA 0.201 nan 4.420 nan 0.000 0.271 85 P C -2.517 174.706 177.300 -0.129 0.000 1.218 85 P CA -1.031 61.984 63.100 -0.141 0.000 0.780 85 P CB 0.695 32.387 31.700 -0.013 0.000 0.901 86 P HA 0.002 nan 4.420 nan 0.000 0.266 86 P C -0.400 176.937 177.300 0.062 0.000 1.195 86 P CA 0.574 63.528 63.100 -0.243 0.000 0.768 86 P CB 0.652 31.874 31.700 -0.797 0.000 0.838 87 D N 2.268 122.771 120.400 0.172 0.000 2.192 87 D HA 0.110 4.751 4.640 0.001 0.000 0.246 87 D C 0.807 177.364 176.300 0.429 0.000 1.042 87 D CA -0.631 53.547 54.000 0.297 0.000 0.847 87 D CB 1.827 42.778 40.800 0.251 0.000 1.186 87 D HN 0.052 nan 8.370 nan 0.000 0.461 88 L N 4.104 125.536 121.223 0.348 0.000 1.993 88 L HA -0.085 4.255 4.340 0.001 0.000 0.206 88 L C 1.639 178.601 176.870 0.154 0.000 1.074 88 L CA 1.734 56.702 54.840 0.213 0.000 0.746 88 L CB -0.528 41.547 42.059 0.026 0.000 0.896 88 L HN 0.463 nan 8.230 nan 0.000 0.435 89 D N -0.917 119.551 120.400 0.114 0.000 2.126 89 D HA -0.233 4.407 4.640 0.001 0.000 0.190 89 D C 1.892 178.228 176.300 0.061 0.000 1.001 89 D CA 2.278 56.316 54.000 0.063 0.000 0.841 89 D CB -0.639 40.199 40.800 0.064 0.000 0.949 89 D HN 0.426 nan 8.370 nan 0.000 0.446 90 T N 0.609 115.233 114.554 0.117 0.000 2.720 90 T HA -0.122 4.229 4.350 0.001 0.000 0.268 90 T C 2.112 176.828 174.700 0.027 0.000 1.037 90 T CA 1.796 63.943 62.100 0.079 0.000 1.144 90 T CB -0.498 68.468 68.868 0.163 0.000 0.864 90 T HN 0.182 nan 8.240 nan 0.000 0.444 91 T N 1.875 116.547 114.554 0.197 0.000 2.851 91 T HA 0.162 4.513 4.350 0.001 0.000 0.262 91 T C 2.033 176.829 174.700 0.161 0.000 1.043 91 T CA 0.549 62.837 62.100 0.314 0.000 1.140 91 T CB -0.326 68.887 68.868 0.575 0.000 0.872 91 T HN 0.317 nan 8.240 nan 0.000 0.446 92 I N 1.203 121.834 120.570 0.102 0.000 2.127 92 I HA -0.213 3.958 4.170 0.001 0.000 0.241 92 I C 2.659 178.798 176.117 0.037 0.000 1.075 92 I CA 1.569 62.898 61.300 0.049 0.000 1.334 92 I CB -0.429 37.556 38.000 -0.025 0.000 1.040 92 I HN 0.330 nan 8.210 nan 0.000 0.405 93 E N 0.889 121.060 120.200 -0.049 0.000 2.051 93 E HA -0.229 4.122 4.350 0.001 0.000 0.192 93 E C 2.357 178.847 176.600 -0.184 0.000 0.991 93 E CA 1.371 57.697 56.400 -0.123 0.000 0.799 93 E CB -0.226 29.366 29.700 -0.181 0.000 0.748 93 E HN 0.522 nan 8.360 nan 0.000 0.449 94 A N 0.775 123.398 122.820 -0.328 0.000 1.908 94 A HA -0.236 4.084 4.320 0.001 0.000 0.218 94 A C 2.037 179.428 177.584 -0.322 0.000 1.181 94 A CA 1.535 53.214 52.037 -0.596 0.000 0.627 94 A CB -0.816 17.231 19.000 -1.587 0.000 0.818 94 A HN 0.422 nan 8.150 nan 0.000 0.445 95 Y N 0.755 120.932 120.300 -0.205 0.000 2.114 95 Y HA -0.210 4.340 4.550 0.001 0.000 0.284 95 Y C 2.369 178.266 175.900 -0.004 0.000 1.143 95 Y CA 2.154 60.255 58.100 0.001 0.000 1.135 95 Y CB -0.413 38.092 38.460 0.075 0.000 0.980 95 Y HN 0.071 nan 8.280 nan 0.000 0.499 96 V N 0.657 120.602 119.914 0.052 0.000 2.343 96 V HA -0.347 3.774 4.120 0.001 0.000 0.247 96 V C 2.713 178.765 176.094 -0.071 0.000 1.051 96 V CA 1.816 64.108 62.300 -0.014 0.000 1.036 96 V CB -1.780 30.067 31.823 0.040 0.000 0.654 96 V HN 0.581 nan 8.190 nan 0.000 0.451 97 A N -0.102 122.660 122.820 -0.096 0.000 1.892 97 A HA -0.213 4.108 4.320 0.001 0.000 0.218 97 A C 2.264 179.837 177.584 -0.019 0.000 1.188 97 A CA 2.154 54.142 52.037 -0.080 0.000 0.631 97 A CB -0.616 18.313 19.000 -0.118 0.000 0.822 97 A HN 0.495 nan 8.150 nan 0.000 0.447 98 L N -0.934 120.246 121.223 -0.072 0.000 1.994 98 L HA -0.208 4.132 4.340 0.001 0.000 0.208 98 L C 2.662 179.492 176.870 -0.067 0.000 1.071 98 L CA 2.032 56.846 54.840 -0.043 0.000 0.745 98 L CB -0.433 41.601 42.059 -0.042 0.000 0.892 98 L HN 0.458 nan 8.230 nan 0.000 0.431 99 K N -0.801 119.484 120.400 -0.192 0.000 2.160 99 K HA -0.278 4.043 4.320 0.001 0.000 0.206 99 K C 2.168 178.740 176.600 -0.046 0.000 1.047 99 K CA 1.646 57.829 56.287 -0.173 0.000 0.930 99 K CB -0.191 32.137 32.500 -0.286 0.000 0.720 99 K HN 0.227 nan 8.250 nan 0.000 0.450 100 Y N 0.762 120.994 120.300 -0.113 0.000 2.286 100 Y HA -0.016 4.534 4.550 0.001 0.000 0.293 100 Y C 1.528 177.398 175.900 -0.051 0.000 1.124 100 Y CA 1.178 59.227 58.100 -0.085 0.000 1.178 100 Y CB 0.101 38.500 38.460 -0.102 0.000 1.010 100 Y HN -0.013 nan 8.280 nan 0.000 0.536 101 I N -0.847 119.831 120.570 0.180 0.000 2.493 101 I HA -0.079 4.092 4.170 0.001 0.000 0.254 101 I C 2.032 178.154 176.117 0.008 0.000 1.160 101 I CA 1.564 62.938 61.300 0.123 0.000 1.445 101 I CB -0.367 37.710 38.000 0.129 0.000 1.086 101 I HN 0.470 nan 8.210 nan 0.000 0.433 102 G N -0.866 107.921 108.800 -0.022 0.000 3.685 102 G HA2 -0.050 3.910 3.960 0.001 0.000 0.215 102 G HA3 -0.050 3.910 3.960 0.001 0.000 0.215 102 G C 0.368 175.252 174.900 -0.027 0.000 0.987 102 G CA -0.649 44.431 45.100 -0.033 0.000 0.884 102 G HN -0.052 nan 8.290 nan 0.000 0.406 103 M N 3.116 122.705 119.600 -0.018 0.000 2.243 103 M HA 0.201 4.682 4.480 0.001 0.000 0.365 103 M C 0.979 177.258 176.300 -0.034 0.000 1.327 103 M CA 0.333 55.621 55.300 -0.020 0.000 0.918 103 M CB -0.091 32.493 32.600 -0.027 0.000 1.894 103 M HN 0.600 nan 8.290 nan 0.000 0.473 104 S N 3.628 119.323 115.700 -0.008 0.000 2.562 104 S HA 0.406 4.877 4.470 0.001 0.000 0.275 104 S C 0.987 175.602 174.600 0.026 0.000 1.281 104 S CA -1.004 57.199 58.200 0.004 0.000 1.045 104 S CB 1.096 64.305 63.200 0.014 0.000 0.962 104 S HN 0.764 nan 8.310 nan 0.000 0.503 105 R N 1.158 121.687 120.500 0.048 0.000 2.397 105 R HA -0.100 4.241 4.340 0.001 0.000 0.213 105 R C 0.035 176.404 176.300 0.116 0.000 1.102 105 R CA 1.365 57.537 56.100 0.120 0.000 1.040 105 R CB -0.554 29.845 30.300 0.164 0.000 0.844 105 R HN 0.606 nan 8.270 nan 0.000 0.478 106 D N 1.510 121.954 120.400 0.074 0.000 2.202 106 D HA -0.051 4.589 4.640 0.001 0.000 0.214 106 D C -0.018 176.317 176.300 0.059 0.000 0.967 106 D CA 0.376 54.414 54.000 0.062 0.000 0.871 106 D CB -0.185 40.642 40.800 0.044 0.000 1.020 106 D HN 0.357 nan 8.370 nan 0.000 0.474 107 E N 1.917 122.147 120.200 0.050 0.000 2.829 107 E HA -0.154 4.197 4.350 0.001 0.000 0.264 107 E C 0.904 177.535 176.600 0.051 0.000 0.922 107 E CA 0.164 56.590 56.400 0.043 0.000 0.960 107 E CB 0.752 30.476 29.700 0.039 0.000 0.918 107 E HN 0.240 nan 8.360 nan 0.000 0.497 108 E N 4.032 124.252 120.200 0.033 0.000 2.172 108 E HA -0.259 4.091 4.350 0.001 0.000 0.213 108 E C -0.877 175.741 176.600 0.030 0.000 1.051 108 E CA 2.103 58.517 56.400 0.025 0.000 0.860 108 E CB -0.416 29.287 29.700 0.004 0.000 0.755 108 E HN 0.409 nan 8.360 nan 0.000 0.462 109 P HA -0.198 nan 4.420 nan 0.000 0.214 109 P C 1.330 178.697 177.300 0.112 0.000 1.163 109 P CA 1.700 64.819 63.100 0.031 0.000 0.883 109 P CB -0.052 31.672 31.700 0.040 0.000 0.788 110 M N -1.170 118.529 119.600 0.165 0.000 2.202 110 M HA -0.181 4.300 4.480 0.001 0.000 0.262 110 M C 1.989 178.453 176.300 0.273 0.000 1.063 110 M CA 1.712 57.194 55.300 0.304 0.000 1.097 110 M CB -1.701 31.043 32.600 0.240 0.000 1.382 110 M HN 0.058 nan 8.290 nan 0.000 0.413 111 Q N 0.807 120.698 119.800 0.151 0.000 2.020 111 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 111 Q C 2.096 178.142 176.000 0.077 0.000 0.982 111 Q CA 1.464 57.327 55.803 0.100 0.000 0.838 111 Q CB -0.428 28.348 28.738 0.063 0.000 0.899 111 Q HN 0.574 nan 8.270 nan 0.000 0.423 112 K N 0.435 120.870 120.400 0.057 0.000 2.032 112 K HA -0.107 4.214 4.320 0.001 0.000 0.209 112 K C 2.149 178.791 176.600 0.070 0.000 1.048 112 K CA 1.270 57.576 56.287 0.031 0.000 0.927 112 K CB -0.232 32.251 32.500 -0.028 0.000 0.712 112 K HN 0.140 nan 8.250 nan 0.000 0.441 113 A N 1.889 124.776 122.820 0.111 0.000 1.858 113 A HA -0.161 4.160 4.320 0.001 0.000 0.216 113 A C 2.191 179.837 177.584 0.103 0.000 1.190 113 A CA 1.196 53.350 52.037 0.195 0.000 0.617 113 A CB -0.818 18.415 19.000 0.388 0.000 0.827 113 A HN 0.264 nan 8.150 nan 0.000 0.443 114 L N -0.687 120.516 121.223 -0.033 0.000 2.043 114 L HA -0.257 4.083 4.340 0.001 0.000 0.212 114 L C 2.885 179.702 176.870 -0.087 0.000 1.075 114 L CA 1.541 56.250 54.840 -0.218 0.000 0.752 114 L CB -0.283 41.667 42.059 -0.181 0.000 0.891 114 L HN 0.390 nan 8.230 nan 0.000 0.432 115 R N -0.981 119.522 120.500 0.004 0.000 2.081 115 R HA -0.223 4.118 4.340 0.001 0.000 0.235 115 R C 2.214 178.545 176.300 0.050 0.000 1.131 115 R CA 1.881 57.995 56.100 0.023 0.000 0.960 115 R CB -0.830 29.498 30.300 0.046 0.000 0.856 115 R HN 0.361 nan 8.270 nan 0.000 0.436 116 F N 1.808 121.736 119.950 -0.037 0.000 2.171 116 F HA -0.099 4.428 4.527 0.001 0.000 0.300 116 F C 2.044 177.826 175.800 -0.030 0.000 1.090 116 F CA 1.078 59.063 58.000 -0.025 0.000 1.293 116 F CB -0.291 38.701 39.000 -0.014 0.000 1.013 116 F HN -0.135 nan 8.300 nan 0.000 0.486 117 I N 0.243 120.665 120.570 -0.247 0.000 2.286 117 I HA -0.316 3.854 4.170 0.001 0.000 0.248 117 I C 2.343 178.274 176.117 -0.310 0.000 1.115 117 I CA 1.430 62.512 61.300 -0.363 0.000 1.392 117 I CB -0.631 37.226 38.000 -0.238 0.000 1.065 117 I HN 0.286 nan 8.210 nan 0.000 0.418 118 Q N 0.468 120.146 119.800 -0.203 0.000 2.049 118 Q HA -0.152 4.189 4.340 0.001 0.000 0.198 118 Q C 2.319 178.239 176.000 -0.134 0.000 0.971 118 Q CA 1.899 57.619 55.803 -0.139 0.000 0.833 118 Q CB -0.253 28.436 28.738 -0.081 0.000 0.896 118 Q HN 0.575 nan 8.270 nan 0.000 0.434 119 S N 0.438 116.058 115.700 -0.133 0.000 2.528 119 S HA -0.110 4.360 4.470 0.001 0.000 0.244 119 S C 1.504 176.017 174.600 -0.145 0.000 0.982 119 S CA 0.748 58.890 58.200 -0.096 0.000 0.953 119 S CB 0.041 63.225 63.200 -0.026 0.000 0.754 119 S HN 0.231 nan 8.310 nan 0.000 0.529 120 Q N 0.096 119.746 119.800 -0.251 0.000 2.281 120 Q HA 0.325 4.666 4.340 0.001 0.000 0.215 120 Q C 1.338 177.249 176.000 -0.149 0.000 0.867 120 Q CA 0.678 56.337 55.803 -0.240 0.000 0.940 120 Q CB 0.692 29.171 28.738 -0.432 0.000 1.111 120 Q HN 0.757 nan 8.270 nan 0.000 0.513 121 G N 0.026 108.751 108.800 -0.125 0.000 2.168 121 G HA2 -0.076 3.885 3.960 0.001 0.000 0.197 121 G HA3 -0.076 3.885 3.960 0.001 0.000 0.197 121 G C 0.605 175.454 174.900 -0.086 0.000 0.997 121 G CA 0.114 45.169 45.100 -0.075 0.000 0.658 121 G HN 0.692 nan 8.290 nan 0.000 0.513 122 G N -0.394 108.322 108.800 -0.139 0.000 2.692 122 G HA2 -0.140 3.821 3.960 0.001 0.000 0.248 122 G HA3 -0.140 3.821 3.960 0.001 0.000 0.248 122 G C 1.149 175.936 174.900 -0.188 0.000 1.340 122 G CA 0.358 45.358 45.100 -0.167 0.000 0.896 122 G HN 1.441 nan 8.290 nan 0.000 0.570 123 I N 0.136 120.544 120.570 -0.270 0.000 2.300 123 I HA -0.170 4.000 4.170 0.001 0.000 0.252 123 I C 2.240 178.206 176.117 -0.252 0.000 1.119 123 I CA 2.488 63.593 61.300 -0.324 0.000 1.384 123 I CB -0.120 37.554 38.000 -0.543 0.000 1.062 123 I HN 0.561 nan 8.210 nan 0.000 0.426 124 E N 0.568 120.694 120.200 -0.124 0.000 2.515 124 E HA -0.088 4.262 4.350 0.001 0.000 0.201 124 E C 1.775 178.357 176.600 -0.031 0.000 1.071 124 E CA 0.648 57.041 56.400 -0.013 0.000 0.880 124 E CB 0.044 29.799 29.700 0.092 0.000 0.828 124 E HN 0.510 nan 8.360 nan 0.000 0.540 125 S N -0.168 115.489 115.700 -0.071 0.000 2.540 125 S HA 0.032 4.502 4.470 0.001 0.000 0.222 125 S C 0.747 175.316 174.600 -0.052 0.000 1.008 125 S CA -0.239 57.932 58.200 -0.049 0.000 0.939 125 S CB 0.509 63.676 63.200 -0.055 0.000 0.865 125 S HN 0.207 nan 8.310 nan 0.000 0.499 126 S N 2.940 118.585 115.700 -0.092 0.000 2.593 126 S HA 0.343 4.813 4.470 0.001 0.000 0.269 126 S C 0.421 174.983 174.600 -0.063 0.000 1.334 126 S CA -0.965 57.190 58.200 -0.076 0.000 1.015 126 S CB 0.406 63.536 63.200 -0.117 0.000 0.912 126 S HN 0.555 nan 8.310 nan 0.000 0.541 127 R N 0.691 121.174 120.500 -0.029 0.000 2.924 127 R HA 0.138 4.479 4.340 0.001 0.000 0.272 127 R C 0.805 177.045 176.300 -0.099 0.000 1.012 127 R CA -0.459 55.617 56.100 -0.039 0.000 1.171 127 R CB -0.325 29.968 30.300 -0.010 0.000 1.086 127 R HN 0.396 nan 8.270 nan 0.000 0.489 128 V N 0.337 120.136 119.914 -0.192 0.000 2.332 128 V HA -0.245 3.875 4.120 0.001 0.000 0.248 128 V C 2.108 178.110 176.094 -0.153 0.000 1.055 128 V CA 1.745 63.902 62.300 -0.239 0.000 1.038 128 V CB -0.894 30.640 31.823 -0.481 0.000 0.651 128 V HN 0.635 nan 8.190 nan 0.000 0.450 129 F N 1.078 120.942 119.950 -0.143 0.000 2.026 129 F HA -0.201 4.327 4.527 0.001 0.000 0.296 129 F C 2.719 178.577 175.800 0.096 0.000 1.133 129 F CA 2.039 60.032 58.000 -0.012 0.000 1.188 129 F CB -1.712 37.272 39.000 -0.026 0.000 0.968 129 F HN 0.075 nan 8.300 nan 0.000 0.476 130 T N -0.062 114.625 114.554 0.222 0.000 2.721 130 T HA -0.271 4.080 4.350 0.001 0.000 0.268 130 T C 2.131 176.852 174.700 0.034 0.000 1.038 130 T CA 1.792 63.959 62.100 0.112 0.000 1.145 130 T CB -0.311 68.552 68.868 -0.008 0.000 0.858 130 T HN 0.201 nan 8.240 nan 0.000 0.459 131 R N -0.026 120.425 120.500 -0.081 0.000 2.090 131 R HA 0.170 4.510 4.340 0.001 0.000 0.228 131 R C 2.576 178.826 176.300 -0.084 0.000 1.110 131 R CA 0.974 56.907 56.100 -0.279 0.000 0.973 131 R CB -0.286 29.738 30.300 -0.460 0.000 0.869 131 R HN 0.409 nan 8.270 nan 0.000 0.440 132 M N -0.473 119.128 119.600 0.001 0.000 2.086 132 M HA -0.191 4.290 4.480 0.001 0.000 0.261 132 M C 1.409 177.649 176.300 -0.101 0.000 1.067 132 M CA 1.804 57.040 55.300 -0.108 0.000 1.116 132 M CB -0.152 32.465 32.600 0.030 0.000 1.348 132 M HN 0.179 nan 8.290 nan 0.000 0.407 133 W N 0.807 122.124 121.300 0.028 0.000 2.338 133 W HA -0.187 4.474 4.660 0.001 0.000 0.304 133 W C 2.088 178.617 176.519 0.017 0.000 1.212 133 W CA 1.165 58.547 57.345 0.062 0.000 1.264 133 W CB -0.363 29.131 29.460 0.058 0.000 1.142 133 W HN 0.209 nan 8.180 nan 0.000 0.512 134 L N -0.450 120.898 121.223 0.208 0.000 2.275 134 L HA -0.140 4.200 4.340 0.001 0.000 0.215 134 L C 2.523 179.441 176.870 0.080 0.000 1.119 134 L CA 0.921 55.841 54.840 0.134 0.000 0.790 134 L CB -0.977 41.118 42.059 0.060 0.000 0.919 134 L HN 0.000 nan 8.230 nan 0.000 0.443 135 A N 0.184 122.947 122.820 -0.095 0.000 1.897 135 A HA -0.129 4.191 4.320 0.001 0.000 0.215 135 A C 2.195 179.620 177.584 -0.265 0.000 1.181 135 A CA 1.074 52.855 52.037 -0.426 0.000 0.620 135 A CB -0.568 17.698 19.000 -1.223 0.000 0.821 135 A HN 0.330 nan 8.150 nan 0.000 0.443 136 L N 0.066 121.246 121.223 -0.071 0.000 2.127 136 L HA -0.155 4.186 4.340 0.001 0.000 0.211 136 L C 2.135 179.232 176.870 0.378 0.000 1.089 136 L CA 1.444 56.460 54.840 0.294 0.000 0.757 136 L CB -0.287 41.954 42.059 0.304 0.000 0.899 136 L HN 0.466 nan 8.230 nan 0.000 0.434 137 V N -3.795 116.301 119.914 0.305 0.000 3.596 137 V HA 0.448 4.568 4.120 0.001 0.000 0.289 137 V C 1.141 177.383 176.094 0.247 0.000 1.336 137 V CA 0.170 62.672 62.300 0.335 0.000 1.137 137 V CB -0.478 31.520 31.823 0.292 0.000 0.966 137 V HN 0.431 nan 8.190 nan 0.000 0.428 138 G N 1.209 110.123 108.800 0.190 0.000 2.289 138 G HA2 -0.190 3.770 3.960 0.001 0.000 0.280 138 G HA3 -0.190 3.770 3.960 0.001 0.000 0.280 138 G C 0.211 175.207 174.900 0.160 0.000 1.089 138 G CA 0.524 45.718 45.100 0.158 0.000 0.939 138 G HN 0.553 nan 8.290 nan 0.000 0.499 139 E N -1.658 118.649 120.200 0.179 0.000 2.601 139 E HA 0.236 4.587 4.350 0.001 0.000 0.219 139 E C -0.297 176.522 176.600 0.365 0.000 0.964 139 E CA -0.135 56.408 56.400 0.240 0.000 1.050 139 E CB 0.827 30.650 29.700 0.206 0.000 1.068 139 E HN 0.652 nan 8.360 nan 0.000 0.496 140 Y N 1.430 121.784 120.300 0.091 0.000 2.482 140 Y HA 0.292 4.842 4.550 0.001 0.000 0.334 140 Y C -2.609 173.288 175.900 -0.006 0.000 1.091 140 Y CA -2.496 55.661 58.100 0.095 0.000 1.027 140 Y CB 1.884 40.364 38.460 0.033 0.000 1.306 140 Y HN -0.187 nan 8.280 nan 0.000 0.446 141 P HA -0.037 nan 4.420 nan 0.000 0.267 141 P C 0.189 177.363 177.300 -0.209 0.000 1.209 141 P CA 0.403 63.336 63.100 -0.280 0.000 0.763 141 P CB 0.698 32.219 31.700 -0.298 0.000 0.816 142 W N 2.173 123.450 121.300 -0.038 0.000 2.421 142 W HA -0.116 4.544 4.660 0.001 0.000 0.270 142 W C 1.933 178.515 176.519 0.105 0.000 1.233 142 W CA 0.727 58.099 57.345 0.045 0.000 1.226 142 W CB -0.304 29.171 29.460 0.025 0.000 1.121 142 W HN 0.430 nan 8.180 nan 0.000 0.579 143 E N 0.060 120.429 120.200 0.283 0.000 2.268 143 E HA -0.148 4.202 4.350 0.001 0.000 0.195 143 E C 1.406 178.049 176.600 0.073 0.000 0.995 143 E CA 1.060 57.625 56.400 0.276 0.000 0.836 143 E CB -0.217 29.556 29.700 0.122 0.000 0.763 143 E HN 0.166 nan 8.360 nan 0.000 0.491 144 K N 0.414 120.815 120.400 0.000 0.000 2.446 144 K HA 0.165 4.485 4.320 0.001 0.000 0.203 144 K C -0.528 176.183 176.600 0.184 0.000 1.027 144 K CA 0.007 56.283 56.287 -0.018 0.000 1.166 144 K CB 0.933 33.335 32.500 -0.163 0.000 0.869 144 K HN -0.048 nan 8.250 nan 0.000 0.504 145 V N 2.633 122.733 119.914 0.310 0.000 2.459 145 V HA 0.217 4.338 4.120 0.001 0.000 0.295 145 V C -2.409 173.947 176.094 0.436 0.000 1.029 145 V CA -2.570 59.949 62.300 0.366 0.000 0.874 145 V CB 1.467 33.508 31.823 0.363 0.000 0.985 145 V HN -0.002 nan 8.190 nan 0.000 0.438 146 P HA 0.059 nan 4.420 nan 0.000 0.262 146 P C -0.419 177.080 177.300 0.331 0.000 1.182 146 P CA 0.049 63.368 63.100 0.365 0.000 0.761 146 P CB 0.290 32.184 31.700 0.324 0.000 0.795 147 M N 4.968 124.723 119.600 0.257 0.000 2.216 147 M HA 0.294 4.775 4.480 0.001 0.000 0.356 147 M C -1.117 175.148 176.300 -0.058 0.000 1.205 147 M CA 0.026 55.323 55.300 -0.005 0.000 1.122 147 M CB 0.704 33.182 32.600 -0.204 0.000 1.571 147 M HN -0.004 nan 8.290 nan 0.000 0.464 148 V N 8.264 128.070 119.914 -0.179 0.000 2.443 148 V HA 0.416 4.537 4.120 0.001 0.000 0.272 148 V C -2.240 173.712 176.094 -0.238 0.000 1.002 148 V CA -1.217 60.928 62.300 -0.259 0.000 0.840 148 V CB 1.088 32.607 31.823 -0.507 0.000 1.042 148 V HN 0.800 nan 8.190 nan 0.000 0.446 149 P HA 0.207 nan 4.420 nan 0.000 0.271 149 P C -2.413 174.788 177.300 -0.166 0.000 1.216 149 P CA -1.335 61.682 63.100 -0.138 0.000 0.776 149 P CB 1.333 33.014 31.700 -0.031 0.000 0.881 150 P HA -0.143 nan 4.420 nan 0.000 0.218 150 P C 1.154 178.313 177.300 -0.234 0.000 1.148 150 P CA 1.444 64.420 63.100 -0.208 0.000 0.822 150 P CB -0.031 31.565 31.700 -0.174 0.000 0.784 151 E N -0.596 119.543 120.200 -0.101 0.000 2.331 151 E HA -0.155 4.195 4.350 0.001 0.000 0.199 151 E C 1.764 178.315 176.600 -0.082 0.000 1.008 151 E CA 0.407 56.802 56.400 -0.009 0.000 0.843 151 E CB -1.167 28.696 29.700 0.271 0.000 0.761 151 E HN 0.304 nan 8.360 nan 0.000 0.507 152 I N 0.002 120.492 120.570 -0.133 0.000 2.657 152 I HA -0.266 3.904 4.170 0.001 0.000 0.261 152 I C 1.089 177.083 176.117 -0.206 0.000 1.212 152 I CA 0.917 62.138 61.300 -0.132 0.000 1.453 152 I CB 0.088 37.974 38.000 -0.190 0.000 1.092 152 I HN 0.137 nan 8.210 nan 0.000 0.452 153 M N -0.167 119.215 119.600 -0.363 0.000 2.549 153 M HA -0.100 4.380 4.480 0.001 0.000 0.260 153 M C 1.449 177.539 176.300 -0.350 0.000 1.076 153 M CA 1.262 56.302 55.300 -0.432 0.000 1.090 153 M CB -1.054 31.218 32.600 -0.548 0.000 1.418 153 M HN 0.229 nan 8.290 nan 0.000 0.486 154 F N -0.100 119.823 119.950 -0.045 0.000 2.743 154 F HA 0.191 4.719 4.527 0.001 0.000 0.297 154 F C 1.014 176.804 175.800 -0.017 0.000 1.131 154 F CA -0.469 57.514 58.000 -0.030 0.000 1.426 154 F CB -0.678 38.302 39.000 -0.034 0.000 1.116 154 F HN -0.076 nan 8.300 nan 0.000 0.583 155 L N 0.457 121.757 121.223 0.128 0.000 2.499 155 L HA 0.192 4.533 4.340 0.001 0.000 0.273 155 L C 1.270 178.198 176.870 0.096 0.000 1.195 155 L CA -0.180 54.717 54.840 0.094 0.000 0.882 155 L CB -0.311 41.786 42.059 0.063 0.000 1.133 155 L HN 0.142 nan 8.230 nan 0.000 0.483 156 G N 2.302 111.157 108.800 0.092 0.000 2.611 156 G HA2 0.115 4.075 3.960 0.001 0.000 0.273 156 G HA3 0.115 4.075 3.960 0.001 0.000 0.273 156 G C 0.651 175.621 174.900 0.116 0.000 1.305 156 G CA -0.491 44.666 45.100 0.094 0.000 1.010 156 G HN 0.748 nan 8.290 nan 0.000 0.509 157 K N -0.210 120.254 120.400 0.106 0.000 2.097 157 K HA -0.063 4.258 4.320 0.001 0.000 0.205 157 K C 1.399 178.052 176.600 0.089 0.000 1.050 157 K CA 0.925 57.278 56.287 0.110 0.000 0.938 157 K CB 0.021 32.540 32.500 0.032 0.000 0.718 157 K HN 0.429 nan 8.250 nan 0.000 0.442 158 R N 1.120 121.656 120.500 0.061 0.000 3.472 158 R HA 0.321 4.661 4.340 0.001 0.000 0.322 158 R C -0.559 175.768 176.300 0.044 0.000 1.330 158 R CA 0.017 56.145 56.100 0.047 0.000 1.387 158 R CB -0.189 30.129 30.300 0.029 0.000 1.446 158 R HN 0.045 nan 8.270 nan 0.000 0.628 159 M N 1.596 121.230 119.600 0.056 0.000 2.619 159 M HA 0.466 4.947 4.480 0.001 0.000 0.297 159 M C -2.498 173.831 176.300 0.048 0.000 1.229 159 M CA -2.287 53.042 55.300 0.048 0.000 0.860 159 M CB 3.492 36.124 32.600 0.053 0.000 1.741 159 M HN -0.026 nan 8.290 nan 0.000 0.462 160 P HA 0.083 nan 4.420 nan 0.000 0.267 160 P C -0.035 177.295 177.300 0.051 0.000 1.205 160 P CA 0.313 63.435 63.100 0.038 0.000 0.765 160 P CB 0.534 32.258 31.700 0.041 0.000 0.828 161 L N -0.877 120.362 121.223 0.027 0.000 4.291 161 L HA -0.290 4.050 4.340 0.001 0.000 0.413 161 L C 0.610 177.578 176.870 0.164 0.000 1.162 161 L CA 0.521 55.398 54.840 0.063 0.000 0.961 161 L CB -2.070 40.051 42.059 0.104 0.000 2.095 161 L HN 0.592 nan 8.230 nan 0.000 0.838 162 N N 0.756 119.527 118.700 0.117 0.000 2.508 162 N HA 0.331 5.072 4.740 0.001 0.000 0.264 162 N C 1.452 177.037 175.510 0.125 0.000 1.216 162 N CA -0.013 53.096 53.050 0.099 0.000 0.943 162 N CB 0.560 39.115 38.487 0.113 0.000 1.113 162 N HN 0.338 nan 8.380 nan 0.000 0.447 163 I N -1.933 118.582 120.570 -0.092 0.000 2.227 163 I HA -0.357 3.813 4.170 0.001 0.000 0.250 163 I C 0.464 176.480 176.117 -0.167 0.000 1.087 163 I CA 1.502 62.625 61.300 -0.296 0.000 1.352 163 I CB -0.677 36.858 38.000 -0.775 0.000 1.043 163 I HN 0.478 nan 8.210 nan 0.000 0.425 164 Y N 1.761 122.119 120.300 0.098 0.000 2.519 164 Y HA 0.101 4.651 4.550 0.001 0.000 0.311 164 Y C 2.043 178.006 175.900 0.104 0.000 1.207 164 Y CA 0.374 58.543 58.100 0.115 0.000 1.289 164 Y CB -0.641 37.878 38.460 0.098 0.000 1.059 164 Y HN 0.367 nan 8.280 nan 0.000 0.507 165 E N -1.077 119.240 120.200 0.195 0.000 2.460 165 E HA 0.082 4.433 4.350 0.001 0.000 0.200 165 E C -0.377 176.160 176.600 -0.104 0.000 1.011 165 E CA 0.020 56.431 56.400 0.018 0.000 0.912 165 E CB 0.288 29.927 29.700 -0.102 0.000 0.953 165 E HN 0.211 nan 8.360 nan 0.000 0.494 166 F N 0.934 120.823 119.950 -0.102 0.000 2.378 166 F HA 0.395 4.923 4.527 0.001 0.000 0.325 166 F C 1.346 177.009 175.800 -0.229 0.000 1.097 166 F CA -0.740 57.158 58.000 -0.170 0.000 1.079 166 F CB 0.576 39.455 39.000 -0.202 0.000 1.240 166 F HN -0.225 nan 8.300 nan 0.000 0.519 167 G N 0.128 108.786 108.800 -0.237 0.000 2.483 167 G HA2 0.310 4.270 3.960 0.001 0.000 0.248 167 G HA3 0.310 4.270 3.960 0.001 0.000 0.248 167 G C 0.840 175.354 174.900 -0.643 0.000 1.248 167 G CA 0.047 44.784 45.100 -0.604 0.000 0.838 167 G HN 0.835 nan 8.290 nan 0.000 0.566 168 S N 0.868 116.329 115.700 -0.397 0.000 2.390 168 S HA -0.331 4.139 4.470 0.001 0.000 0.234 168 S C 1.963 176.387 174.600 -0.293 0.000 1.063 168 S CA 2.559 60.599 58.200 -0.268 0.000 1.108 168 S CB -1.015 61.968 63.200 -0.362 0.000 0.975 168 S HN 1.042 nan 8.310 nan 0.000 0.442 169 W N 2.338 123.600 121.300 -0.063 0.000 2.363 169 W HA 0.329 4.990 4.660 0.001 0.000 0.296 169 W C 2.454 179.051 176.519 0.131 0.000 1.212 169 W CA 0.662 58.025 57.345 0.030 0.000 1.260 169 W CB -0.966 28.590 29.460 0.160 0.000 1.131 169 W HN 0.388 nan 8.180 nan 0.000 0.530 170 A N 1.255 123.960 122.820 -0.192 0.000 1.930 170 A HA -0.034 4.287 4.320 0.001 0.000 0.215 170 A C 2.260 179.778 177.584 -0.110 0.000 1.176 170 A CA 1.457 53.523 52.037 0.048 0.000 0.632 170 A CB -0.883 18.149 19.000 0.055 0.000 0.819 170 A HN 0.385 nan 8.150 nan 0.000 0.445 171 R N -0.031 120.346 120.500 -0.205 0.000 2.103 171 R HA -0.201 4.139 4.340 0.001 0.000 0.234 171 R C 2.315 178.421 176.300 -0.323 0.000 1.132 171 R CA 1.930 57.833 56.100 -0.329 0.000 0.925 171 R CB -0.555 29.632 30.300 -0.188 0.000 0.842 171 R HN 0.401 nan 8.270 nan 0.000 0.430 172 A N 0.034 122.821 122.820 -0.055 0.000 1.917 172 A HA -0.195 4.126 4.320 0.001 0.000 0.219 172 A C 2.248 179.843 177.584 0.019 0.000 1.182 172 A CA 2.314 54.428 52.037 0.127 0.000 0.633 172 A CB -1.097 18.091 19.000 0.312 0.000 0.819 172 A HN 0.595 nan 8.150 nan 0.000 0.448 173 T N -0.138 114.446 114.554 0.050 0.000 2.652 173 T HA -0.150 4.201 4.350 0.001 0.000 0.267 173 T C 1.898 176.520 174.700 -0.130 0.000 1.039 173 T CA 1.733 63.882 62.100 0.082 0.000 1.153 173 T CB -0.700 68.314 68.868 0.244 0.000 0.863 173 T HN 0.193 nan 8.240 nan 0.000 0.428 174 V N 1.506 121.256 119.914 -0.272 0.000 2.252 174 V HA -0.195 3.925 4.120 0.001 0.000 0.249 174 V C 2.736 178.557 176.094 -0.454 0.000 1.056 174 V CA 1.578 63.590 62.300 -0.481 0.000 1.022 174 V CB -1.058 30.317 31.823 -0.747 0.000 0.641 174 V HN 0.321 nan 8.190 nan 0.000 0.445 175 V N 0.370 120.000 119.914 -0.473 0.000 2.282 175 V HA -0.313 3.808 4.120 0.001 0.000 0.249 175 V C 2.711 178.647 176.094 -0.263 0.000 1.057 175 V CA 2.267 64.303 62.300 -0.439 0.000 1.032 175 V CB -1.302 30.177 31.823 -0.573 0.000 0.645 175 V HN 0.580 nan 8.190 nan 0.000 0.447 176 A N -0.354 122.354 122.820 -0.186 0.000 1.855 176 A HA -0.120 4.200 4.320 0.001 0.000 0.215 176 A C 2.209 179.694 177.584 -0.165 0.000 1.191 176 A CA 1.726 53.683 52.037 -0.133 0.000 0.613 176 A CB -0.567 18.392 19.000 -0.069 0.000 0.829 176 A HN 0.488 nan 8.150 nan 0.000 0.442 177 L N 0.758 121.841 121.223 -0.233 0.000 2.191 177 L HA -0.191 4.149 4.340 0.001 0.000 0.212 177 L C 3.020 179.726 176.870 -0.273 0.000 1.103 177 L CA 1.389 56.062 54.840 -0.278 0.000 0.769 177 L CB -0.551 41.273 42.059 -0.392 0.000 0.908 177 L HN 0.666 nan 8.230 nan 0.000 0.438 178 S N 0.592 116.111 115.700 -0.302 0.000 2.365 178 S HA -0.242 4.229 4.470 0.001 0.000 0.225 178 S C 1.891 176.349 174.600 -0.238 0.000 1.039 178 S CA 1.379 59.407 58.200 -0.286 0.000 1.033 178 S CB -0.773 62.250 63.200 -0.295 0.000 0.887 178 S HN 0.405 nan 8.310 nan 0.000 0.447 179 I N 1.596 122.046 120.570 -0.200 0.000 2.226 179 I HA -0.139 4.031 4.170 0.001 0.000 0.245 179 I C 2.496 178.512 176.117 -0.169 0.000 1.100 179 I CA 1.207 62.409 61.300 -0.163 0.000 1.374 179 I CB -0.621 37.309 38.000 -0.118 0.000 1.057 179 I HN 0.244 nan 8.210 nan 0.000 0.413 180 V N 0.614 120.434 119.914 -0.157 0.000 2.307 180 V HA -0.274 3.847 4.120 0.001 0.000 0.245 180 V C 2.380 178.307 176.094 -0.279 0.000 1.045 180 V CA 1.851 64.067 62.300 -0.140 0.000 1.024 180 V CB -0.606 31.184 31.823 -0.054 0.000 0.651 180 V HN 0.396 nan 8.190 nan 0.000 0.449 181 M N -0.002 119.420 119.600 -0.297 0.000 2.394 181 M HA -0.087 4.394 4.480 0.001 0.000 0.264 181 M C 2.431 178.458 176.300 -0.455 0.000 1.073 181 M CA 1.414 56.453 55.300 -0.435 0.000 1.111 181 M CB -0.511 31.935 32.600 -0.258 0.000 1.401 181 M HN 0.427 nan 8.290 nan 0.000 0.448 182 S N 0.776 116.263 115.700 -0.355 0.000 2.368 182 S HA -0.090 4.380 4.470 0.001 0.000 0.225 182 S C 2.048 176.422 174.600 -0.377 0.000 1.030 182 S CA 1.150 59.143 58.200 -0.345 0.000 0.999 182 S CB 0.044 63.086 63.200 -0.265 0.000 0.844 182 S HN 0.380 nan 8.310 nan 0.000 0.459 183 R N 0.594 120.882 120.500 -0.355 0.000 2.210 183 R HA 0.242 4.582 4.340 0.001 0.000 0.203 183 R C 0.313 176.330 176.300 -0.472 0.000 1.010 183 R CA 0.213 56.111 56.100 -0.337 0.000 1.008 183 R CB -0.948 29.210 30.300 -0.236 0.000 0.923 183 R HN 0.603 nan 8.270 nan 0.000 0.469 184 Q N 1.262 120.628 119.800 -0.724 0.000 2.447 184 Q HA -0.134 4.207 4.340 0.001 0.000 0.348 184 Q C -2.087 173.453 176.000 -0.766 0.000 1.421 184 Q CA 0.080 55.098 55.803 -1.310 0.000 0.978 184 Q CB -1.266 26.682 28.738 -1.317 0.000 1.191 184 Q HN 0.310 nan 8.270 nan 0.000 0.371 185 P HA 0.302 nan 4.420 nan 0.000 0.276 185 P C -0.374 176.845 177.300 -0.136 0.000 1.244 185 P CA -0.280 62.640 63.100 -0.300 0.000 0.801 185 P CB 1.341 32.852 31.700 -0.315 0.000 1.006 186 V N 2.432 122.135 119.914 -0.351 0.000 2.577 186 V HA 0.311 4.431 4.120 0.001 0.000 0.303 186 V C -0.649 175.210 176.094 -0.393 0.000 1.042 186 V CA -0.284 61.926 62.300 -0.150 0.000 0.872 186 V CB 1.283 33.143 31.823 0.061 0.000 0.998 186 V HN 0.331 nan 8.190 nan 0.000 0.423 187 F N 5.293 125.349 119.950 0.177 0.000 2.363 187 F HA 0.473 5.000 4.527 0.001 0.000 0.366 187 F C -2.221 173.735 175.800 0.261 0.000 1.083 187 F CA -2.647 55.440 58.000 0.146 0.000 1.176 187 F CB 0.998 40.042 39.000 0.072 0.000 1.432 187 F HN 0.298 nan 8.300 nan 0.000 0.482 188 P HA -0.040 nan 4.420 nan 0.000 0.263 188 P C -0.277 177.249 177.300 0.377 0.000 1.175 188 P CA 0.406 63.678 63.100 0.286 0.000 0.761 188 P CB 0.662 32.474 31.700 0.186 0.000 0.794 189 L N 5.544 126.926 121.223 0.266 0.000 2.357 189 L HA 0.411 4.752 4.340 0.001 0.000 0.273 189 L C -1.621 175.329 176.870 0.133 0.000 1.080 189 L CA -2.225 52.720 54.840 0.174 0.000 0.803 189 L CB 0.583 42.708 42.059 0.109 0.000 1.174 189 L HN 0.283 nan 8.230 nan 0.000 0.443 190 P HA 0.024 nan 4.420 nan 0.000 0.269 190 P C -0.079 177.240 177.300 0.032 0.000 1.215 190 P CA -0.191 62.938 63.100 0.048 0.000 0.780 190 P CB 0.864 32.558 31.700 -0.010 0.000 0.898 191 E N 1.313 121.535 120.200 0.036 0.000 2.136 191 E HA -0.249 4.102 4.350 0.001 0.000 0.202 191 E C 2.132 178.745 176.600 0.021 0.000 1.019 191 E CA 1.538 57.959 56.400 0.036 0.000 0.819 191 E CB -0.418 29.301 29.700 0.032 0.000 0.739 191 E HN 0.449 nan 8.360 nan 0.000 0.458 192 R N 0.009 120.507 120.500 -0.005 0.000 2.133 192 R HA -0.162 4.179 4.340 0.001 0.000 0.247 192 R C 1.521 177.807 176.300 -0.024 0.000 1.151 192 R CA 1.580 57.667 56.100 -0.022 0.000 0.971 192 R CB -0.144 30.123 30.300 -0.056 0.000 0.866 192 R HN 0.244 nan 8.270 nan 0.000 0.447 193 A N 0.684 123.488 122.820 -0.027 0.000 2.348 193 A HA 0.180 4.501 4.320 0.001 0.000 0.224 193 A C -0.134 177.483 177.584 0.055 0.000 1.227 193 A CA -0.448 51.587 52.037 -0.004 0.000 0.885 193 A CB 0.130 19.116 19.000 -0.024 0.000 0.933 193 A HN 0.057 nan 8.150 nan 0.000 0.506 194 R N 0.115 120.656 120.500 0.068 0.000 2.638 194 R HA 0.114 4.454 4.340 0.001 0.000 0.268 194 R C 0.214 176.589 176.300 0.125 0.000 1.006 194 R CA 0.456 56.617 56.100 0.103 0.000 1.088 194 R CB -0.022 30.337 30.300 0.097 0.000 0.950 194 R HN 0.400 nan 8.270 nan 0.000 0.419 195 V N 0.436 120.443 119.914 0.156 0.000 2.592 195 V HA 0.208 4.329 4.120 0.001 0.000 0.278 195 V C -1.608 174.600 176.094 0.190 0.000 1.087 195 V CA -1.224 61.188 62.300 0.187 0.000 1.282 195 V CB 1.096 33.043 31.823 0.207 0.000 1.543 195 V HN 0.542 nan 8.190 nan 0.000 0.606 196 P HA -0.164 nan 4.420 nan 0.000 0.219 196 P C 1.368 178.813 177.300 0.243 0.000 1.150 196 P CA 1.559 64.825 63.100 0.277 0.000 0.814 196 P CB 0.319 32.133 31.700 0.190 0.000 0.787 197 E N 0.771 121.062 120.200 0.152 0.000 2.501 197 E HA -0.134 4.217 4.350 0.001 0.000 0.203 197 E C 1.654 178.257 176.600 0.006 0.000 1.072 197 E CA 0.636 57.089 56.400 0.089 0.000 0.885 197 E CB -1.052 28.698 29.700 0.082 0.000 0.813 197 E HN 0.367 nan 8.360 nan 0.000 0.556 198 L N -0.545 120.653 121.223 -0.040 0.000 2.599 198 L HA 0.050 4.390 4.340 0.001 0.000 0.230 198 L C 1.277 177.979 176.870 -0.281 0.000 1.141 198 L CA 0.375 55.086 54.840 -0.215 0.000 0.877 198 L CB -0.234 41.650 42.059 -0.292 0.000 1.009 198 L HN 0.016 nan 8.230 nan 0.000 0.447 199 Y N -0.379 119.928 120.300 0.012 0.000 2.522 199 Y HA 0.096 4.647 4.550 0.001 0.000 0.277 199 Y C 1.024 176.929 175.900 0.008 0.000 1.104 199 Y CA -0.629 57.484 58.100 0.022 0.000 1.260 199 Y CB 0.250 38.739 38.460 0.047 0.000 1.151 199 Y HN 0.047 nan 8.280 nan 0.000 0.539 200 E N 1.711 122.005 120.200 0.156 0.000 2.311 200 E HA 0.118 4.468 4.350 0.001 0.000 0.247 200 E C -0.688 175.937 176.600 0.041 0.000 1.215 200 E CA 0.598 57.050 56.400 0.087 0.000 0.957 200 E CB -0.165 29.575 29.700 0.066 0.000 1.020 200 E HN 0.053 nan 8.360 nan 0.000 0.461 201 T N 1.793 116.373 114.554 0.042 0.000 3.289 201 T HA 0.008 4.358 4.350 0.001 0.000 0.370 201 T C -0.082 174.631 174.700 0.023 0.000 1.546 201 T CA -0.895 61.215 62.100 0.015 0.000 1.144 201 T CB 1.023 69.885 68.868 -0.011 0.000 1.379 201 T HN 0.507 nan 8.240 nan 0.000 0.478 202 D N 0.886 121.294 120.400 0.013 0.000 2.301 202 D HA 0.016 4.657 4.640 0.001 0.000 0.206 202 D C 0.940 177.247 176.300 0.011 0.000 0.979 202 D CA 0.301 54.310 54.000 0.016 0.000 0.874 202 D CB -0.072 40.736 40.800 0.013 0.000 0.968 202 D HN 0.337 nan 8.370 nan 0.000 0.510 203 V N 4.159 124.073 119.914 0.001 0.000 2.644 203 V HA 0.023 4.143 4.120 0.001 0.000 0.305 203 V C -1.784 174.311 176.094 0.002 0.000 1.053 203 V CA -0.670 61.628 62.300 -0.004 0.000 1.186 203 V CB 0.072 31.882 31.823 -0.023 0.000 0.895 203 V HN 0.187 nan 8.190 nan 0.000 0.490 204 P HA 0.159 nan 4.420 nan 0.000 0.267 204 P C -2.463 174.843 177.300 0.010 0.000 1.209 204 P CA -1.309 61.799 63.100 0.013 0.000 0.763 204 P CB 0.186 31.895 31.700 0.015 0.000 0.816 205 P HA 0.045 nan 4.420 nan 0.000 0.265 205 P C -0.067 177.243 177.300 0.016 0.000 1.222 205 P CA 0.155 63.263 63.100 0.014 0.000 0.767 205 P CB 0.364 32.085 31.700 0.036 0.000 0.801 206 R N 3.710 124.214 120.500 0.006 0.000 2.369 206 R HA 0.407 4.747 4.340 0.001 0.000 0.310 206 R C 0.074 176.384 176.300 0.018 0.000 1.141 206 R CA -0.818 55.291 56.100 0.015 0.000 1.116 206 R CB 0.765 31.073 30.300 0.014 0.000 1.135 206 R HN 0.373 nan 8.270 nan 0.000 0.529 207 R N 2.556 123.071 120.500 0.026 0.000 2.441 207 R HA 0.146 4.486 4.340 0.001 0.000 0.284 207 R C -0.469 175.850 176.300 0.032 0.000 1.070 207 R CA -0.556 55.560 56.100 0.027 0.000 1.047 207 R CB 0.974 31.296 30.300 0.036 0.000 1.016 207 R HN 0.559 nan 8.270 nan 0.000 0.477 208 R N 2.566 123.083 120.500 0.029 0.000 2.234 208 R HA 0.206 4.547 4.340 0.001 0.000 0.324 208 R C -0.146 176.170 176.300 0.026 0.000 1.054 208 R CA -0.095 56.025 56.100 0.034 0.000 0.912 208 R CB 1.019 31.344 30.300 0.041 0.000 1.030 208 R HN 0.849 nan 8.270 nan 0.000 0.455 209 G N 2.243 111.062 108.800 0.032 0.000 2.535 209 G HA2 0.401 4.361 3.960 0.001 0.000 0.282 209 G HA3 0.401 4.361 3.960 0.001 0.000 0.282 209 G C -0.631 174.278 174.900 0.014 0.000 1.350 209 G CA -0.388 44.732 45.100 0.033 0.000 1.039 209 G HN 0.801 nan 8.290 nan 0.000 0.509 210 A N -0.709 122.122 122.820 0.019 0.000 2.445 210 A HA 0.355 4.676 4.320 0.001 0.000 0.242 210 A C 1.698 179.270 177.584 -0.020 0.000 1.075 210 A CA -0.165 51.864 52.037 -0.013 0.000 0.777 210 A CB 0.383 19.383 19.000 -0.000 0.000 1.013 210 A HN 0.543 nan 8.150 nan 0.000 0.493 211 K N 1.889 122.245 120.400 -0.072 0.000 2.089 211 K HA -0.188 4.132 4.320 0.001 0.000 0.210 211 K C 1.633 178.199 176.600 -0.058 0.000 1.048 211 K CA 2.088 58.325 56.287 -0.084 0.000 0.926 211 K CB -0.511 31.905 32.500 -0.141 0.000 0.714 211 K HN 0.831 nan 8.250 nan 0.000 0.448 212 G N -0.562 108.199 108.800 -0.066 0.000 3.159 212 G HA2 0.370 4.330 3.960 0.001 0.000 0.232 212 G HA3 0.370 4.330 3.960 0.001 0.000 0.232 212 G C 0.064 175.094 174.900 0.216 0.000 1.116 212 G CA 0.382 45.496 45.100 0.024 0.000 0.767 212 G HN 0.492 nan 8.290 nan 0.000 0.547 213 G N -1.281 107.634 108.800 0.190 0.000 3.055 213 G HA2 0.452 4.412 3.960 0.001 0.000 0.685 213 G HA3 0.452 4.412 3.960 0.001 0.000 0.685 213 G C 0.018 175.029 174.900 0.185 0.000 1.212 213 G CA -0.371 44.827 45.100 0.164 0.000 0.822 213 G HN 0.915 nan 8.290 nan 0.000 0.610 214 G N 0.403 109.282 108.800 0.133 0.000 2.365 214 G HA2 0.677 4.638 3.960 0.001 0.000 0.293 214 G HA3 0.677 4.638 3.960 0.001 0.000 0.293 214 G C 0.707 175.709 174.900 0.170 0.000 1.128 214 G CA 0.545 45.739 45.100 0.157 0.000 0.971 214 G HN 1.531 nan 8.290 nan 0.000 0.422 215 G N 2.982 111.923 108.800 0.235 0.000 2.333 215 G HA2 0.328 4.289 3.960 0.001 0.000 0.290 215 G HA3 0.328 4.289 3.960 0.001 0.000 0.290 215 G C 1.087 175.983 174.900 -0.007 0.000 1.150 215 G CA -0.580 44.574 45.100 0.090 0.000 0.895 215 G HN 0.827 nan 8.290 nan 0.000 0.444 216 W N 3.917 125.230 121.300 0.022 0.000 2.316 216 W HA -0.252 4.408 4.660 0.001 0.000 0.279 216 W C 0.848 177.337 176.519 -0.050 0.000 1.208 216 W CA 0.545 57.891 57.345 0.002 0.000 1.182 216 W CB -0.762 28.688 29.460 -0.017 0.000 1.134 216 W HN 0.413 nan 8.180 nan 0.000 0.560 217 I N 1.005 120.895 120.570 -1.133 0.000 2.090 217 I HA -0.260 3.910 4.170 0.001 0.000 0.236 217 I C 2.565 178.345 176.117 -0.563 0.000 1.064 217 I CA 1.884 62.484 61.300 -1.166 0.000 1.324 217 I CB -1.580 35.532 38.000 -1.480 0.000 1.044 217 I HN -0.245 nan 8.210 nan 0.000 0.399 218 F N 0.815 120.641 119.950 -0.207 0.000 2.120 218 F HA -0.262 4.265 4.527 0.001 0.000 0.300 218 F C 2.389 178.190 175.800 0.002 0.000 1.095 218 F CA 1.877 59.839 58.000 -0.065 0.000 1.249 218 F CB -1.271 37.715 39.000 -0.022 0.000 0.995 218 F HN 0.157 nan 8.300 nan 0.000 0.480 219 D N 0.107 120.627 120.400 0.200 0.000 2.106 219 D HA -0.222 4.419 4.640 0.001 0.000 0.191 219 D C 2.253 178.634 176.300 0.135 0.000 0.997 219 D CA 1.723 55.825 54.000 0.168 0.000 0.834 219 D CB -0.355 40.548 40.800 0.172 0.000 0.956 219 D HN 0.150 nan 8.370 nan 0.000 0.448 220 A N 0.124 123.014 122.820 0.116 0.000 1.851 220 A HA -0.165 4.156 4.320 0.001 0.000 0.216 220 A C 2.216 179.855 177.584 0.091 0.000 1.195 220 A CA 1.865 53.970 52.037 0.114 0.000 0.622 220 A CB -1.275 17.807 19.000 0.137 0.000 0.831 220 A HN 0.418 nan 8.150 nan 0.000 0.444 221 L N 0.601 121.856 121.223 0.053 0.000 2.021 221 L HA -0.255 4.086 4.340 0.001 0.000 0.215 221 L C 1.921 178.870 176.870 0.131 0.000 1.074 221 L CA 3.045 57.926 54.840 0.068 0.000 0.760 221 L CB -1.090 40.995 42.059 0.043 0.000 0.889 221 L HN 0.573 nan 8.230 nan 0.000 0.433 222 D N -0.866 119.634 120.400 0.168 0.000 2.106 222 D HA -0.251 4.389 4.640 0.001 0.000 0.191 222 D C 2.233 178.706 176.300 0.288 0.000 0.997 222 D CA 1.922 56.060 54.000 0.229 0.000 0.834 222 D CB -0.049 40.884 40.800 0.222 0.000 0.956 222 D HN 0.422 nan 8.370 nan 0.000 0.448 223 R N 0.117 120.729 120.500 0.186 0.000 2.120 223 R HA -0.019 4.321 4.340 0.001 0.000 0.234 223 R C 2.400 178.809 176.300 0.181 0.000 1.123 223 R CA 1.129 57.320 56.100 0.152 0.000 0.975 223 R CB -0.368 29.985 30.300 0.089 0.000 0.866 223 R HN 0.177 nan 8.270 nan 0.000 0.446 224 A N 1.338 124.251 122.820 0.154 0.000 1.930 224 A HA -0.077 4.244 4.320 0.001 0.000 0.217 224 A C 2.145 179.835 177.584 0.177 0.000 1.175 224 A CA 1.049 53.167 52.037 0.134 0.000 0.627 224 A CB -0.366 18.688 19.000 0.090 0.000 0.815 224 A HN 0.182 nan 8.150 nan 0.000 0.443 225 L N -1.908 119.431 121.223 0.193 0.000 2.179 225 L HA -0.103 4.238 4.340 0.001 0.000 0.208 225 L C 2.390 179.333 176.870 0.122 0.000 1.096 225 L CA 1.079 56.028 54.840 0.180 0.000 0.779 225 L CB -0.514 41.614 42.059 0.115 0.000 0.922 225 L HN 0.430 nan 8.230 nan 0.000 0.443 226 H N -0.651 118.479 119.070 0.100 0.000 2.462 226 H HA -0.041 4.516 4.556 0.001 0.000 0.292 226 H C 2.163 177.536 175.328 0.077 0.000 1.049 226 H CA 1.196 57.288 56.048 0.073 0.000 1.334 226 H CB -0.099 29.707 29.762 0.074 0.000 1.404 226 H HN 0.264 nan 8.280 nan 0.000 0.544 227 G N -0.518 108.412 108.800 0.217 0.000 2.404 227 G HA2 -0.293 3.667 3.960 0.001 0.000 0.213 227 G HA3 -0.293 3.667 3.960 0.001 0.000 0.213 227 G C 1.517 176.534 174.900 0.195 0.000 1.189 227 G CA 0.546 45.749 45.100 0.171 0.000 0.796 227 G HN 0.418 nan 8.290 nan 0.000 0.532 228 Y N 1.464 121.812 120.300 0.080 0.000 2.207 228 Y HA -0.180 4.370 4.550 0.001 0.000 0.287 228 Y C 2.734 178.735 175.900 0.169 0.000 1.156 228 Y CA 1.888 60.049 58.100 0.102 0.000 1.182 228 Y CB -0.492 38.024 38.460 0.093 0.000 0.979 228 Y HN 0.304 nan 8.280 nan 0.000 0.521 229 Q N 0.864 120.650 119.800 -0.023 0.000 2.297 229 Q HA -0.148 4.192 4.340 0.001 0.000 0.208 229 Q C 1.644 177.627 176.000 -0.028 0.000 0.981 229 Q CA 1.743 57.427 55.803 -0.198 0.000 0.876 229 Q CB -0.195 28.416 28.738 -0.213 0.000 0.921 229 Q HN 0.493 nan 8.270 nan 0.000 0.446 230 K N -0.776 119.656 120.400 0.053 0.000 2.379 230 K HA 0.140 4.461 4.320 0.001 0.000 0.194 230 K C 0.234 176.862 176.600 0.045 0.000 1.031 230 K CA -0.188 56.130 56.287 0.051 0.000 1.037 230 K CB 0.250 32.779 32.500 0.049 0.000 0.824 230 K HN 0.209 nan 8.250 nan 0.000 0.516 231 L N 0.200 121.448 121.223 0.041 0.000 2.461 231 L HA -0.064 4.277 4.340 0.001 0.000 0.259 231 L C 1.750 178.492 176.870 -0.212 0.000 1.248 231 L CA 0.187 54.968 54.840 -0.099 0.000 0.823 231 L CB 0.280 42.248 42.059 -0.152 0.000 1.111 231 L HN 0.048 nan 8.230 nan 0.000 0.516 232 S N -0.352 115.217 115.700 -0.218 0.000 2.503 232 S HA 0.099 4.570 4.470 0.001 0.000 0.217 232 S C -0.059 174.377 174.600 -0.274 0.000 0.999 232 S CA -0.056 58.036 58.200 -0.180 0.000 0.914 232 S CB 0.103 63.240 63.200 -0.104 0.000 0.782 232 S HN 0.413 nan 8.310 nan 0.000 0.520 233 V N 0.544 120.195 119.914 -0.437 0.000 2.733 233 V HA 0.652 4.773 4.120 0.001 0.000 0.306 233 V C -1.768 174.005 176.094 -0.536 0.000 1.084 233 V CA -0.935 61.136 62.300 -0.381 0.000 0.905 233 V CB 1.206 32.919 31.823 -0.183 0.000 1.010 233 V HN 0.310 nan 8.190 nan 0.000 0.424 234 H N 5.047 124.087 119.070 -0.050 0.000 2.541 234 H HA 0.517 5.073 4.556 0.001 0.000 0.246 234 H C -2.678 172.671 175.328 0.035 0.000 1.341 234 H CA -1.696 54.363 56.048 0.018 0.000 1.469 234 H CB 1.108 30.744 29.762 -0.210 0.000 1.472 234 H HN 0.636 nan 8.280 nan 0.000 0.503 235 P HA -0.147 nan 4.420 nan 0.000 0.260 235 P C -0.176 177.054 177.300 -0.117 0.000 1.172 235 P CA 0.464 63.415 63.100 -0.249 0.000 0.760 235 P CB 0.415 31.872 31.700 -0.404 0.000 0.773 236 F N -0.158 119.853 119.950 0.102 0.000 2.794 236 F HA -0.236 4.292 4.527 0.001 0.000 0.335 236 F C 1.921 177.860 175.800 0.233 0.000 0.653 236 F CA 1.189 59.268 58.000 0.132 0.000 1.266 236 F CB -2.155 36.864 39.000 0.032 0.000 1.666 236 F HN 0.354 nan 8.300 nan 0.000 0.314 237 R N 1.214 121.890 120.500 0.294 0.000 2.075 237 R HA -0.104 4.237 4.340 0.001 0.000 0.232 237 R C 2.320 178.702 176.300 0.138 0.000 1.126 237 R CA 1.796 58.021 56.100 0.207 0.000 0.963 237 R CB -0.261 30.094 30.300 0.091 0.000 0.858 237 R HN 0.459 nan 8.270 nan 0.000 0.435 238 R N 0.208 120.779 120.500 0.118 0.000 2.094 238 R HA -0.194 4.147 4.340 0.001 0.000 0.239 238 R C 2.066 178.432 176.300 0.110 0.000 1.137 238 R CA 2.015 58.163 56.100 0.082 0.000 0.943 238 R CB -0.518 29.826 30.300 0.073 0.000 0.850 238 R HN 0.348 nan 8.270 nan 0.000 0.433 239 A N 0.565 123.506 122.820 0.202 0.000 1.933 239 A HA -0.097 4.224 4.320 0.001 0.000 0.218 239 A C 2.395 180.071 177.584 0.153 0.000 1.175 239 A CA 1.721 53.894 52.037 0.226 0.000 0.628 239 A CB -0.802 18.412 19.000 0.356 0.000 0.814 239 A HN 0.604 nan 8.150 nan 0.000 0.444 240 A N -0.152 122.764 122.820 0.161 0.000 1.902 240 A HA -0.188 4.133 4.320 0.001 0.000 0.217 240 A C 1.934 179.401 177.584 -0.195 0.000 1.181 240 A CA 1.684 53.579 52.037 -0.237 0.000 0.623 240 A CB -0.502 18.422 19.000 -0.126 0.000 0.818 240 A HN 0.658 nan 8.150 nan 0.000 0.443 241 E N -0.304 119.849 120.200 -0.079 0.000 2.047 241 E HA -0.126 4.224 4.350 0.001 0.000 0.191 241 E C 1.889 178.456 176.600 -0.054 0.000 0.987 241 E CA 1.237 57.588 56.400 -0.082 0.000 0.799 241 E CB -0.313 29.352 29.700 -0.058 0.000 0.752 241 E HN 0.688 nan 8.360 nan 0.000 0.449 242 I N 1.033 121.594 120.570 -0.014 0.000 2.454 242 I HA -0.243 3.928 4.170 0.001 0.000 0.254 242 I C 2.391 178.514 176.117 0.009 0.000 1.156 242 I CA 0.657 61.964 61.300 0.011 0.000 1.433 242 I CB -0.209 37.814 38.000 0.038 0.000 1.082 242 I HN 0.028 nan 8.210 nan 0.000 0.432 243 R N 0.951 121.432 120.500 -0.031 0.000 2.081 243 R HA -0.081 4.259 4.340 0.001 0.000 0.235 243 R C 2.350 178.642 176.300 -0.013 0.000 1.131 243 R CA 1.594 57.669 56.100 -0.042 0.000 0.960 243 R CB -0.870 29.320 30.300 -0.183 0.000 0.856 243 R HN 0.384 nan 8.270 nan 0.000 0.436 244 A N 1.196 123.972 122.820 -0.072 0.000 1.872 244 A HA -0.119 4.202 4.320 0.001 0.000 0.214 244 A C 2.169 179.791 177.584 0.063 0.000 1.187 244 A CA 0.966 52.972 52.037 -0.052 0.000 0.614 244 A CB -0.611 18.307 19.000 -0.138 0.000 0.826 244 A HN 0.205 nan 8.150 nan 0.000 0.442 245 L N 0.556 121.798 121.223 0.032 0.000 1.990 245 L HA -0.214 4.126 4.340 0.001 0.000 0.213 245 L C 1.665 178.599 176.870 0.107 0.000 1.072 245 L CA 2.781 57.654 54.840 0.056 0.000 0.755 245 L CB -1.087 40.986 42.059 0.024 0.000 0.889 245 L HN 0.379 nan 8.230 nan 0.000 0.432 246 D N -1.278 119.181 120.400 0.098 0.000 2.116 246 D HA -0.282 4.358 4.640 0.001 0.000 0.193 246 D C 1.800 178.182 176.300 0.136 0.000 0.998 246 D CA 1.697 55.757 54.000 0.100 0.000 0.836 246 D CB -0.576 40.274 40.800 0.083 0.000 0.951 246 D HN 0.590 nan 8.370 nan 0.000 0.449 247 W N 0.997 122.298 121.300 0.001 0.000 2.350 247 W HA -0.129 4.531 4.660 0.001 0.000 0.289 247 W C 1.919 178.481 176.519 0.073 0.000 1.215 247 W CA 1.174 58.524 57.345 0.009 0.000 1.236 247 W CB -0.177 29.266 29.460 -0.029 0.000 1.130 247 W HN -0.017 nan 8.180 nan 0.000 0.541 248 L N -0.589 120.852 121.223 0.364 0.000 2.095 248 L HA -0.162 4.179 4.340 0.001 0.000 0.204 248 L C 2.362 179.469 176.870 0.395 0.000 1.080 248 L CA 0.826 55.922 54.840 0.427 0.000 0.759 248 L CB -0.908 41.347 42.059 0.326 0.000 0.914 248 L HN -0.036 nan 8.230 nan 0.000 0.439 249 L N -0.428 120.931 121.223 0.227 0.000 2.191 249 L HA -0.185 4.155 4.340 0.001 0.000 0.212 249 L C 2.365 179.262 176.870 0.044 0.000 1.103 249 L CA 1.138 56.074 54.840 0.159 0.000 0.769 249 L CB -0.428 41.693 42.059 0.104 0.000 0.908 249 L HN 0.306 nan 8.230 nan 0.000 0.438 250 E N 0.098 120.267 120.200 -0.052 0.000 2.152 250 E HA -0.120 4.231 4.350 0.001 0.000 0.192 250 E C 1.654 178.081 176.600 -0.288 0.000 0.983 250 E CA 0.701 56.987 56.400 -0.190 0.000 0.818 250 E CB 0.155 29.670 29.700 -0.308 0.000 0.758 250 E HN 0.431 nan 8.360 nan 0.000 0.467 251 R N 0.797 121.122 120.500 -0.292 0.000 2.468 251 R HA 0.109 4.450 4.340 0.001 0.000 0.280 251 R C 0.229 176.492 176.300 -0.061 0.000 0.963 251 R CA -0.201 55.759 56.100 -0.233 0.000 1.083 251 R CB 0.295 30.333 30.300 -0.438 0.000 1.200 251 R HN 0.085 nan 8.270 nan 0.000 0.541 252 Q N 1.539 121.183 119.800 -0.259 0.000 2.286 252 Q HA 0.161 4.501 4.340 0.001 0.000 0.290 252 Q C -0.540 175.176 176.000 -0.472 0.000 1.049 252 Q CA -0.155 55.170 55.803 -0.797 0.000 0.923 252 Q CB 0.834 29.116 28.738 -0.760 0.000 1.183 252 Q HN 0.235 nan 8.270 nan 0.000 0.383 253 A N 3.470 125.956 122.820 -0.556 0.000 2.351 253 A HA 0.414 4.734 4.320 0.001 0.000 0.257 253 A C 1.166 178.557 177.584 -0.322 0.000 1.087 253 A CA 0.085 51.919 52.037 -0.338 0.000 0.798 253 A CB 0.429 19.276 19.000 -0.255 0.000 1.033 253 A HN 1.062 nan 8.150 nan 0.000 0.488 254 G N 0.738 109.396 108.800 -0.236 0.000 2.505 254 G HA2 -0.309 3.651 3.960 0.001 0.000 0.220 254 G HA3 -0.309 3.651 3.960 0.001 0.000 0.220 254 G C 0.708 175.520 174.900 -0.147 0.000 1.145 254 G CA 1.466 46.458 45.100 -0.180 0.000 0.761 254 G HN 0.924 nan 8.290 nan 0.000 0.571 255 D N -0.575 119.747 120.400 -0.130 0.000 2.371 255 D HA 0.260 4.900 4.640 0.001 0.000 0.234 255 D C 1.732 177.959 176.300 -0.121 0.000 1.049 255 D CA 0.909 54.873 54.000 -0.060 0.000 0.907 255 D CB -0.555 40.282 40.800 0.062 0.000 0.891 255 D HN 0.587 nan 8.370 nan 0.000 0.531 256 G N -0.435 108.207 108.800 -0.262 0.000 2.195 256 G HA2 -0.321 3.639 3.960 0.001 0.000 0.246 256 G HA3 -0.321 3.639 3.960 0.001 0.000 0.246 256 G C 0.645 175.129 174.900 -0.694 0.000 0.984 256 G CA 0.581 45.490 45.100 -0.317 0.000 0.633 256 G HN 0.825 nan 8.290 nan 0.000 0.525 257 S N -0.955 114.123 115.700 -1.038 0.000 2.546 257 S HA 0.677 5.147 4.470 0.001 0.000 0.265 257 S C -0.041 174.044 174.600 -0.859 0.000 1.190 257 S CA -0.163 57.033 58.200 -1.673 0.000 1.014 257 S CB 1.020 63.248 63.200 -1.619 0.000 1.087 257 S HN 0.702 nan 8.310 nan 0.000 0.525 258 W N -0.268 120.763 121.300 -0.447 0.000 2.728 258 W HA 0.466 5.126 4.660 0.001 0.000 0.324 258 W C 0.710 177.254 176.519 0.041 0.000 1.012 258 W CA -0.119 57.192 57.345 -0.057 0.000 1.279 258 W CB 1.132 30.634 29.460 0.071 0.000 1.289 258 W HN 1.290 nan 8.180 nan 0.000 0.418 259 G N 1.460 110.405 108.800 0.241 0.000 2.245 259 G HA2 -0.245 3.715 3.960 0.001 0.000 0.264 259 G HA3 -0.245 3.715 3.960 0.001 0.000 0.264 259 G C 0.995 176.009 174.900 0.190 0.000 0.985 259 G CA 0.768 45.963 45.100 0.158 0.000 0.625 259 G HN 1.690 nan 8.290 nan 0.000 0.536 260 G N -0.477 108.433 108.800 0.182 0.000 2.147 260 G HA2 -0.035 3.925 3.960 0.001 0.000 0.244 260 G HA3 -0.035 3.925 3.960 0.001 0.000 0.244 260 G C 0.356 175.500 174.900 0.408 0.000 1.005 260 G CA 0.955 46.230 45.100 0.292 0.000 0.713 260 G HN 2.191 nan 8.290 nan 0.000 0.515 261 I N -4.481 116.305 120.570 0.359 0.000 2.785 261 I HA 0.619 4.789 4.170 0.001 0.000 0.302 261 I C 1.091 177.464 176.117 0.426 0.000 1.069 261 I CA -1.238 60.282 61.300 0.365 0.000 1.045 261 I CB 1.689 39.846 38.000 0.262 0.000 1.236 261 I HN -0.060 nan 8.210 nan 0.000 0.429 262 Q N 2.837 122.834 119.800 0.328 0.000 2.061 262 Q HA -0.054 4.287 4.340 0.001 0.000 0.204 262 Q C -1.015 174.936 176.000 -0.082 0.000 0.984 262 Q CA 2.354 58.253 55.803 0.160 0.000 0.846 262 Q CB -1.232 27.510 28.738 0.006 0.000 0.902 262 Q HN 0.665 nan 8.270 nan 0.000 0.421 263 P HA -0.149 nan 4.420 nan 0.000 0.205 263 P C -1.569 175.799 177.300 0.113 0.000 1.181 263 P CA 2.430 65.499 63.100 -0.051 0.000 0.933 263 P CB -1.346 30.439 31.700 0.143 0.000 0.775 264 P HA -0.237 nan 4.420 nan 0.000 0.216 264 P C 1.529 179.005 177.300 0.293 0.000 1.150 264 P CA 1.589 64.896 63.100 0.345 0.000 0.843 264 P CB -0.547 31.337 31.700 0.306 0.000 0.787 265 W N 0.972 122.395 121.300 0.206 0.000 2.311 265 W HA -0.222 4.438 4.660 0.001 0.000 0.326 265 W C 2.171 178.776 176.519 0.143 0.000 1.239 265 W CA 1.127 58.644 57.345 0.287 0.000 1.258 265 W CB -1.777 27.927 29.460 0.407 0.000 1.165 265 W HN -0.148 nan 8.180 nan 0.000 0.466 266 F N -0.282 119.655 119.950 -0.022 0.000 2.065 266 F HA -0.268 4.259 4.527 0.001 0.000 0.298 266 F C 2.363 178.041 175.800 -0.202 0.000 1.112 266 F CA 2.063 59.917 58.000 -0.243 0.000 1.212 266 F CB -1.780 37.010 39.000 -0.350 0.000 0.975 266 F HN -0.112 nan 8.300 nan 0.000 0.476 267 Y N -0.220 120.177 120.300 0.162 0.000 2.181 267 Y HA -0.138 4.413 4.550 0.001 0.000 0.288 267 Y C 2.548 178.381 175.900 -0.111 0.000 1.146 267 Y CA 0.694 58.784 58.100 -0.017 0.000 1.164 267 Y CB -1.569 36.873 38.460 -0.030 0.000 0.982 267 Y HN 0.032 nan 8.280 nan 0.000 0.515 268 A N 0.337 123.106 122.820 -0.084 0.000 1.917 268 A HA -0.187 4.133 4.320 0.001 0.000 0.219 268 A C 2.331 179.742 177.584 -0.289 0.000 1.182 268 A CA 1.829 53.615 52.037 -0.419 0.000 0.633 268 A CB -1.190 17.055 19.000 -1.259 0.000 0.819 268 A HN 0.480 nan 8.150 nan 0.000 0.448 269 L N -0.663 120.447 121.223 -0.187 0.000 2.017 269 L HA -0.204 4.136 4.340 0.001 0.000 0.208 269 L C 2.531 179.412 176.870 0.019 0.000 1.073 269 L CA 1.484 56.255 54.840 -0.114 0.000 0.745 269 L CB -0.573 41.383 42.059 -0.171 0.000 0.894 269 L HN 0.398 nan 8.230 nan 0.000 0.432 270 I N -0.065 120.508 120.570 0.005 0.000 2.226 270 I HA -0.288 3.882 4.170 0.001 0.000 0.245 270 I C 2.804 178.966 176.117 0.074 0.000 1.100 270 I CA 1.163 62.487 61.300 0.040 0.000 1.374 270 I CB -0.536 37.489 38.000 0.041 0.000 1.057 270 I HN 0.210 nan 8.210 nan 0.000 0.413 271 A N 0.920 123.761 122.820 0.035 0.000 1.978 271 A HA -0.147 4.174 4.320 0.001 0.000 0.220 271 A C 2.297 179.904 177.584 0.040 0.000 1.170 271 A CA 1.439 53.484 52.037 0.013 0.000 0.636 271 A CB -0.701 18.274 19.000 -0.040 0.000 0.810 271 A HN 0.407 nan 8.150 nan 0.000 0.448 272 L N -1.173 120.102 121.223 0.086 0.000 2.131 272 L HA -0.101 4.239 4.340 0.001 0.000 0.206 272 L C 2.519 179.475 176.870 0.144 0.000 1.087 272 L CA 1.511 56.441 54.840 0.150 0.000 0.767 272 L CB -0.330 41.918 42.059 0.315 0.000 0.917 272 L HN 0.309 nan 8.230 nan 0.000 0.441 273 K N 0.887 121.399 120.400 0.186 0.000 2.147 273 K HA -0.155 4.166 4.320 0.001 0.000 0.205 273 K C 1.847 178.494 176.600 0.077 0.000 1.049 273 K CA 1.493 57.831 56.287 0.085 0.000 0.936 273 K CB -0.173 32.376 32.500 0.082 0.000 0.722 273 K HN 0.067 nan 8.250 nan 0.000 0.446 274 I N 0.659 121.293 120.570 0.107 0.000 2.394 274 I HA -0.146 4.025 4.170 0.001 0.000 0.251 274 I C 1.403 177.538 176.117 0.031 0.000 1.136 274 I CA 1.053 62.408 61.300 0.093 0.000 1.425 274 I CB -0.608 37.431 38.000 0.065 0.000 1.079 274 I HN 0.143 nan 8.210 nan 0.000 0.425 275 L N 0.649 121.885 121.223 0.022 0.000 2.737 275 L HA 0.090 4.431 4.340 0.001 0.000 0.236 275 L C 0.006 176.876 176.870 0.000 0.000 1.219 275 L CA -0.038 54.805 54.840 0.005 0.000 1.021 275 L CB -0.538 41.524 42.059 0.005 0.000 1.291 275 L HN 0.206 nan 8.230 nan 0.000 0.470 276 D N 0.898 121.292 120.400 -0.010 0.000 2.701 276 D HA -0.234 4.406 4.640 0.001 0.000 0.235 276 D C 0.648 176.923 176.300 -0.042 0.000 1.155 276 D CA 1.129 55.107 54.000 -0.036 0.000 0.649 276 D CB -0.400 40.386 40.800 -0.024 0.000 1.050 276 D HN 0.443 nan 8.370 nan 0.000 0.425 277 M N -0.750 118.822 119.600 -0.046 0.000 2.685 277 M HA 0.014 4.494 4.480 0.001 0.000 0.355 277 M C 1.812 178.033 176.300 -0.132 0.000 1.197 277 M CA -0.006 55.292 55.300 -0.003 0.000 0.947 277 M CB 0.477 33.112 32.600 0.058 0.000 1.346 277 M HN -0.009 nan 8.290 nan 0.000 0.516 278 T N -1.334 112.964 114.554 -0.426 0.000 2.849 278 T HA -0.218 4.132 4.350 0.001 0.000 0.270 278 T C 1.176 175.491 174.700 -0.641 0.000 1.066 278 T CA 1.203 62.659 62.100 -1.074 0.000 1.130 278 T CB -0.344 68.027 68.868 -0.827 0.000 0.864 278 T HN 0.692 nan 8.240 nan 0.000 0.481 279 Q N 0.365 120.032 119.800 -0.221 0.000 2.263 279 Q HA 0.290 4.631 4.340 0.001 0.000 0.337 279 Q C -0.181 175.857 176.000 0.064 0.000 0.906 279 Q CA -0.752 55.016 55.803 -0.058 0.000 1.124 279 Q CB 0.112 28.811 28.738 -0.065 0.000 1.255 279 Q HN 0.575 nan 8.270 nan 0.000 0.435 280 H N 0.764 119.868 119.070 0.057 0.000 2.502 280 H HA 0.274 4.831 4.556 0.001 0.000 0.338 280 H C -2.090 173.341 175.328 0.171 0.000 1.155 280 H CA -1.861 54.253 56.048 0.109 0.000 1.237 280 H CB 2.050 31.892 29.762 0.133 0.000 1.534 280 H HN -0.094 nan 8.280 nan 0.000 0.523 281 P HA -0.141 nan 4.420 nan 0.000 0.214 281 P C 1.185 178.707 177.300 0.369 0.000 1.163 281 P CA 2.546 65.727 63.100 0.133 0.000 0.889 281 P CB -0.117 31.562 31.700 -0.035 0.000 0.790 282 A N -1.194 122.000 122.820 0.623 0.000 1.917 282 A HA -0.252 4.069 4.320 0.001 0.000 0.219 282 A C 2.160 180.014 177.584 0.451 0.000 1.182 282 A CA 1.792 54.090 52.037 0.436 0.000 0.633 282 A CB -1.866 17.348 19.000 0.356 0.000 0.819 282 A HN 0.171 nan 8.150 nan 0.000 0.448 283 F N 1.019 121.187 119.950 0.364 0.000 2.084 283 F HA -0.160 4.368 4.527 0.001 0.000 0.296 283 F C 2.029 178.025 175.800 0.327 0.000 1.111 283 F CA 1.557 59.746 58.000 0.316 0.000 1.224 283 F CB -0.219 38.905 39.000 0.206 0.000 0.991 283 F HN 0.157 nan 8.300 nan 0.000 0.471 284 I N 0.673 121.636 120.570 0.655 0.000 2.151 284 I HA -0.309 3.861 4.170 0.001 0.000 0.243 284 I C 2.356 178.697 176.117 0.373 0.000 1.080 284 I CA 1.654 63.262 61.300 0.513 0.000 1.339 284 I CB -1.656 36.554 38.000 0.349 0.000 1.039 284 I HN 0.182 nan 8.210 nan 0.000 0.409 285 K N 1.674 122.244 120.400 0.283 0.000 2.009 285 K HA -0.122 4.198 4.320 0.001 0.000 0.210 285 K C 2.155 178.894 176.600 0.231 0.000 1.049 285 K CA 1.927 58.335 56.287 0.202 0.000 0.929 285 K CB -1.132 31.438 32.500 0.117 0.000 0.714 285 K HN 0.295 nan 8.250 nan 0.000 0.440 286 G N 0.394 109.352 108.800 0.264 0.000 2.462 286 G HA2 -0.270 3.691 3.960 0.001 0.000 0.220 286 G HA3 -0.270 3.691 3.960 0.001 0.000 0.220 286 G C 1.381 176.596 174.900 0.526 0.000 1.121 286 G CA 0.886 46.263 45.100 0.461 0.000 0.758 286 G HN 0.554 nan 8.290 nan 0.000 0.559 287 W N 2.025 123.378 121.300 0.088 0.000 2.452 287 W HA -0.039 4.622 4.660 0.001 0.000 0.313 287 W C 2.327 178.919 176.519 0.120 0.000 1.176 287 W CA 1.338 58.677 57.345 -0.011 0.000 1.350 287 W CB -0.152 29.261 29.460 -0.078 0.000 1.148 287 W HN 0.501 nan 8.180 nan 0.000 0.498 288 E N 0.034 120.265 120.200 0.052 0.000 2.409 288 E HA -0.042 4.308 4.350 0.001 0.000 0.198 288 E C 2.048 178.681 176.600 0.055 0.000 1.024 288 E CA 1.166 57.539 56.400 -0.046 0.000 0.861 288 E CB -0.855 28.939 29.700 0.157 0.000 0.788 288 E HN 0.256 nan 8.360 nan 0.000 0.521 289 G N 1.498 110.423 108.800 0.208 0.000 2.484 289 G HA2 -0.114 3.847 3.960 0.001 0.000 0.218 289 G HA3 -0.114 3.847 3.960 0.001 0.000 0.218 289 G C 1.535 176.784 174.900 0.581 0.000 1.130 289 G CA 0.136 45.466 45.100 0.384 0.000 0.784 289 G HN 0.157 nan 8.290 nan 0.000 0.543 290 L N 0.234 121.647 121.223 0.316 0.000 2.042 290 L HA -0.102 4.238 4.340 0.001 0.000 0.210 290 L C 2.877 179.958 176.870 0.351 0.000 1.076 290 L CA 1.009 55.926 54.840 0.127 0.000 0.749 290 L CB -0.298 41.586 42.059 -0.290 0.000 0.893 290 L HN 0.134 nan 8.230 nan 0.000 0.432 291 E N 0.051 120.375 120.200 0.207 0.000 2.136 291 E HA -0.293 4.057 4.350 0.001 0.000 0.202 291 E C 2.103 178.885 176.600 0.303 0.000 1.019 291 E CA 1.369 57.915 56.400 0.243 0.000 0.819 291 E CB -0.557 29.224 29.700 0.136 0.000 0.739 291 E HN 0.287 nan 8.360 nan 0.000 0.458 292 L N 0.315 121.751 121.223 0.355 0.000 2.081 292 L HA -0.211 4.130 4.340 0.001 0.000 0.212 292 L C 1.916 178.964 176.870 0.297 0.000 1.080 292 L CA 1.736 56.780 54.840 0.341 0.000 0.754 292 L CB -0.763 41.512 42.059 0.361 0.000 0.893 292 L HN 0.096 nan 8.230 nan 0.000 0.433 293 Y N -0.290 120.076 120.300 0.109 0.000 2.546 293 Y HA 0.301 4.851 4.550 0.001 0.000 0.287 293 Y C 1.790 177.410 175.900 -0.466 0.000 1.158 293 Y CA -0.141 57.834 58.100 -0.208 0.000 1.307 293 Y CB -1.038 37.086 38.460 -0.561 0.000 1.036 293 Y HN 0.190 nan 8.280 nan 0.000 0.532 294 G N -0.046 108.716 108.800 -0.064 0.000 2.599 294 G HA2 0.455 4.416 3.960 0.001 0.000 0.264 294 G HA3 0.455 4.416 3.960 0.001 0.000 0.264 294 G C -1.144 173.533 174.900 -0.371 0.000 1.200 294 G CA -0.172 44.772 45.100 -0.261 0.000 0.896 294 G HN -0.080 nan 8.290 nan 0.000 0.536 295 V N 0.505 120.002 119.914 -0.694 0.000 2.752 295 V HA 0.252 4.373 4.120 0.001 0.000 0.302 295 V C -0.953 174.900 176.094 -0.403 0.000 1.133 295 V CA -0.982 61.038 62.300 -0.467 0.000 0.919 295 V CB 2.017 33.548 31.823 -0.486 0.000 1.026 295 V HN 0.725 nan 8.190 nan 0.000 0.429 296 E N 4.280 124.381 120.200 -0.165 0.000 2.194 296 E HA 0.456 4.806 4.350 0.001 0.000 0.284 296 E C -0.756 175.726 176.600 -0.197 0.000 1.035 296 E CA -0.218 56.137 56.400 -0.075 0.000 0.836 296 E CB 1.805 31.501 29.700 -0.007 0.000 1.070 296 E HN 0.482 nan 8.360 nan 0.000 0.401 297 L N 2.578 123.635 121.223 -0.277 0.000 2.334 297 L HA 0.087 4.427 4.340 0.001 0.000 0.277 297 L C 1.436 178.065 176.870 -0.402 0.000 1.075 297 L CA -0.483 54.081 54.840 -0.461 0.000 0.804 297 L CB 0.741 42.290 42.059 -0.850 0.000 1.174 297 L HN 0.465 nan 8.230 nan 0.000 0.438 298 D N 0.126 120.326 120.400 -0.332 0.000 2.218 298 D HA -0.288 4.352 4.640 0.001 0.000 0.204 298 D C 1.136 177.376 176.300 -0.101 0.000 0.976 298 D CA 1.267 55.166 54.000 -0.168 0.000 0.853 298 D CB -0.318 40.428 40.800 -0.090 0.000 0.939 298 D HN 0.595 nan 8.370 nan 0.000 0.481 299 Y N -1.511 118.761 120.300 -0.048 0.000 2.496 299 Y HA 0.553 5.104 4.550 0.001 0.000 0.313 299 Y C 1.651 177.545 175.900 -0.010 0.000 1.184 299 Y CA -1.132 56.942 58.100 -0.044 0.000 1.275 299 Y CB -0.318 38.079 38.460 -0.105 0.000 1.103 299 Y HN 0.075 nan 8.280 nan 0.000 0.513 300 G N -0.805 108.040 108.800 0.074 0.000 2.268 300 G HA2 -0.257 3.703 3.960 0.001 0.000 0.240 300 G HA3 -0.257 3.703 3.960 0.001 0.000 0.240 300 G C 0.825 175.803 174.900 0.130 0.000 1.010 300 G CA -0.167 45.003 45.100 0.117 0.000 0.618 300 G HN 0.998 nan 8.290 nan 0.000 0.516 301 G N -0.945 107.924 108.800 0.116 0.000 2.599 301 G HA2 0.446 4.407 3.960 0.001 0.000 0.264 301 G HA3 0.446 4.407 3.960 0.001 0.000 0.264 301 G C -0.585 174.353 174.900 0.063 0.000 1.200 301 G CA 0.177 45.396 45.100 0.198 0.000 0.896 301 G HN 0.973 nan 8.290 nan 0.000 0.536 302 W N 1.752 122.990 121.300 -0.103 0.000 2.915 302 W HA 0.672 5.332 4.660 0.001 0.000 0.337 302 W C -0.384 175.902 176.519 -0.388 0.000 1.102 302 W CA -1.146 56.070 57.345 -0.215 0.000 1.224 302 W CB 1.695 31.064 29.460 -0.151 0.000 1.416 302 W HN 0.695 nan 8.180 nan 0.000 0.503 303 M N 5.107 123.975 119.600 -1.220 0.000 2.593 303 M HA 0.672 5.152 4.480 0.001 0.000 0.290 303 M C -2.158 173.272 176.300 -1.451 0.000 1.244 303 M CA -0.835 53.703 55.300 -1.270 0.000 0.857 303 M CB 2.926 34.874 32.600 -1.087 0.000 1.738 303 M HN 0.455 nan 8.290 nan 0.000 0.461 304 F N 1.194 120.524 119.950 -1.033 0.000 2.492 304 F HA 0.529 5.057 4.527 0.001 0.000 0.327 304 F C -0.786 174.844 175.800 -0.283 0.000 1.079 304 F CA -0.274 57.327 58.000 -0.664 0.000 0.967 304 F CB 2.048 40.832 39.000 -0.360 0.000 1.169 304 F HN 0.671 nan 8.300 nan 0.000 0.472 305 Q N 4.114 123.559 119.800 -0.592 0.000 2.257 305 Q HA 0.462 4.803 4.340 0.001 0.000 0.255 305 Q C 0.609 176.625 176.000 0.027 0.000 0.920 305 Q CA -0.254 55.417 55.803 -0.220 0.000 0.927 305 Q CB 1.801 30.420 28.738 -0.199 0.000 1.229 305 Q HN 0.905 nan 8.270 nan 0.000 0.433 306 A N 2.170 125.095 122.820 0.175 0.000 2.024 306 A HA -0.070 4.251 4.320 0.001 0.000 0.220 306 A C 0.912 178.688 177.584 0.320 0.000 1.164 306 A CA 1.564 53.770 52.037 0.281 0.000 0.643 306 A CB 0.217 19.424 19.000 0.345 0.000 0.806 306 A HN 0.577 nan 8.150 nan 0.000 0.451 307 S N -2.535 113.346 115.700 0.302 0.000 2.643 307 S HA 0.516 4.987 4.470 0.001 0.000 0.266 307 S C -1.371 173.369 174.600 0.233 0.000 1.130 307 S CA -0.190 58.254 58.200 0.407 0.000 0.817 307 S CB 0.390 63.852 63.200 0.438 0.000 1.107 307 S HN 0.905 nan 8.310 nan 0.000 0.471 308 I N 0.602 121.237 120.570 0.107 0.000 2.646 308 I HA 0.770 4.941 4.170 0.001 0.000 0.299 308 I C -0.015 175.765 176.117 -0.561 0.000 1.036 308 I CA -0.684 60.563 61.300 -0.088 0.000 1.074 308 I CB 2.429 40.286 38.000 -0.238 0.000 1.258 308 I HN 0.575 nan 8.210 nan 0.000 0.430 309 S N 2.907 118.307 115.700 -0.500 0.000 2.525 309 S HA 0.407 4.877 4.470 0.001 0.000 0.242 309 S C -1.676 172.627 174.600 -0.495 0.000 1.164 309 S CA -1.013 56.611 58.200 -0.960 0.000 1.154 309 S CB -0.420 62.554 63.200 -0.376 0.000 0.875 309 S HN 0.672 nan 8.310 nan 0.000 0.482 310 P HA -0.150 nan 4.420 nan 0.000 0.210 310 P C 1.614 178.789 177.300 -0.210 0.000 1.185 310 P CA 1.091 63.750 63.100 -0.734 0.000 0.924 310 P CB -0.176 30.490 31.700 -1.723 0.000 0.786 311 V N -0.127 119.723 119.914 -0.106 0.000 2.250 311 V HA -0.264 3.856 4.120 0.001 0.000 0.253 311 V C 2.583 178.817 176.094 0.234 0.000 1.065 311 V CA 2.384 64.802 62.300 0.196 0.000 1.039 311 V CB -1.681 30.242 31.823 0.166 0.000 0.647 311 V HN 0.250 nan 8.190 nan 0.000 0.446 312 W N 0.996 122.287 121.300 -0.014 0.000 2.311 312 W HA -0.262 4.399 4.660 0.001 0.000 0.326 312 W C 2.494 179.052 176.519 0.066 0.000 1.239 312 W CA 2.021 59.428 57.345 0.103 0.000 1.258 312 W CB -0.297 29.349 29.460 0.310 0.000 1.165 312 W HN 0.355 nan 8.180 nan 0.000 0.466 313 D N -0.351 120.163 120.400 0.189 0.000 2.116 313 D HA -0.200 4.441 4.640 0.001 0.000 0.193 313 D C 1.978 178.261 176.300 -0.029 0.000 0.998 313 D CA 2.527 56.559 54.000 0.053 0.000 0.836 313 D CB -0.907 40.020 40.800 0.212 0.000 0.951 313 D HN 0.161 nan 8.370 nan 0.000 0.449 314 T N 0.331 114.958 114.554 0.121 0.000 2.720 314 T HA -0.112 4.239 4.350 0.001 0.000 0.268 314 T C 1.959 176.652 174.700 -0.011 0.000 1.037 314 T CA 1.547 63.776 62.100 0.215 0.000 1.144 314 T CB -0.690 68.305 68.868 0.211 0.000 0.864 314 T HN 0.287 nan 8.240 nan 0.000 0.444 315 G N 1.527 110.278 108.800 -0.082 0.000 2.480 315 G HA2 -0.160 3.801 3.960 0.001 0.000 0.216 315 G HA3 -0.160 3.801 3.960 0.001 0.000 0.216 315 G C 1.486 176.113 174.900 -0.455 0.000 1.200 315 G CA 0.676 45.635 45.100 -0.235 0.000 0.782 315 G HN 0.452 nan 8.290 nan 0.000 0.554 316 L N 0.761 121.620 121.223 -0.606 0.000 2.046 316 L HA -0.050 4.291 4.340 0.001 0.000 0.208 316 L C 3.469 179.931 176.870 -0.681 0.000 1.077 316 L CA 0.943 55.336 54.840 -0.746 0.000 0.747 316 L CB -0.651 40.867 42.059 -0.902 0.000 0.896 316 L HN 0.314 nan 8.230 nan 0.000 0.432 317 A N 0.227 122.631 122.820 -0.694 0.000 1.884 317 A HA -0.224 4.097 4.320 0.001 0.000 0.219 317 A C 2.369 179.463 177.584 -0.816 0.000 1.197 317 A CA 2.437 53.879 52.037 -0.991 0.000 0.637 317 A CB -1.070 16.910 19.000 -1.701 0.000 0.827 317 A HN 0.194 nan 8.150 nan 0.000 0.450 318 V N 0.031 119.602 119.914 -0.571 0.000 2.233 318 V HA -0.298 3.822 4.120 0.001 0.000 0.247 318 V C 2.594 178.460 176.094 -0.380 0.000 1.050 318 V CA 2.139 64.230 62.300 -0.348 0.000 1.010 318 V CB -0.927 30.780 31.823 -0.192 0.000 0.637 318 V HN 0.598 nan 8.190 nan 0.000 0.444 319 L N 0.051 120.983 121.223 -0.485 0.000 2.051 319 L HA -0.273 4.067 4.340 0.001 0.000 0.214 319 L C 2.715 179.337 176.870 -0.413 0.000 1.076 319 L CA 1.866 56.378 54.840 -0.547 0.000 0.758 319 L CB -0.887 40.671 42.059 -0.836 0.000 0.890 319 L HN 0.411 nan 8.230 nan 0.000 0.433 320 A N -0.016 122.545 122.820 -0.433 0.000 1.858 320 A HA -0.169 4.151 4.320 0.001 0.000 0.216 320 A C 2.221 179.665 177.584 -0.234 0.000 1.190 320 A CA 1.489 53.330 52.037 -0.328 0.000 0.617 320 A CB -0.785 17.986 19.000 -0.382 0.000 0.827 320 A HN 0.371 nan 8.150 nan 0.000 0.443 321 L N -1.009 120.054 121.223 -0.266 0.000 2.265 321 L HA -0.163 4.177 4.340 0.001 0.000 0.215 321 L C 2.831 179.625 176.870 -0.127 0.000 1.117 321 L CA 0.682 55.413 54.840 -0.182 0.000 0.782 321 L CB -0.362 41.572 42.059 -0.209 0.000 0.914 321 L HN 0.304 nan 8.230 nan 0.000 0.441 322 R N 0.005 120.417 120.500 -0.148 0.000 2.052 322 R HA 0.039 4.379 4.340 0.001 0.000 0.226 322 R C 2.316 178.578 176.300 -0.063 0.000 1.145 322 R CA 1.355 57.397 56.100 -0.096 0.000 0.952 322 R CB -0.988 29.239 30.300 -0.121 0.000 0.847 322 R HN 0.252 nan 8.270 nan 0.000 0.431 323 A N 1.333 124.103 122.820 -0.082 0.000 2.131 323 A HA -0.099 4.221 4.320 0.001 0.000 0.220 323 A C 2.252 179.824 177.584 -0.021 0.000 1.158 323 A CA 1.792 53.805 52.037 -0.040 0.000 0.665 323 A CB -0.446 18.528 19.000 -0.044 0.000 0.795 323 A HN 0.386 nan 8.150 nan 0.000 0.460 324 A N -1.893 120.907 122.820 -0.032 0.000 1.854 324 A HA 0.359 4.679 4.320 0.001 0.000 0.214 324 A C 2.009 179.607 177.584 0.023 0.000 1.192 324 A CA 2.130 54.167 52.037 0.000 0.000 0.611 324 A CB -0.538 18.455 19.000 -0.011 0.000 0.832 324 A HN 1.413 nan 8.150 nan 0.000 0.442 325 G N -2.453 106.357 108.800 0.017 0.000 3.845 325 G HA2 0.109 4.070 3.960 0.001 0.000 0.198 325 G HA3 0.109 4.070 3.960 0.001 0.000 0.198 325 G C 0.153 175.084 174.900 0.051 0.000 0.890 325 G CA -0.148 44.976 45.100 0.039 0.000 0.885 325 G HN 0.262 nan 8.290 nan 0.000 0.407 326 L N 2.480 123.733 121.223 0.050 0.000 2.593 326 L HA 0.181 4.521 4.340 0.001 0.000 0.287 326 L C -1.874 175.060 176.870 0.106 0.000 1.243 326 L CA -0.946 53.959 54.840 0.109 0.000 0.890 326 L CB 0.027 42.097 42.059 0.018 0.000 1.134 326 L HN 0.033 nan 8.230 nan 0.000 0.502 327 P HA -0.034 nan 4.420 nan 0.000 0.265 327 P C 0.201 177.561 177.300 0.099 0.000 1.193 327 P CA 0.042 63.202 63.100 0.099 0.000 0.765 327 P CB 0.785 32.531 31.700 0.077 0.000 0.823 328 A N 3.076 125.934 122.820 0.063 0.000 2.245 328 A HA -0.182 4.138 4.320 0.001 0.000 0.217 328 A C 1.073 178.697 177.584 0.066 0.000 1.171 328 A CA 1.995 54.064 52.037 0.053 0.000 0.688 328 A CB -1.055 17.971 19.000 0.042 0.000 0.781 328 A HN 0.694 nan 8.150 nan 0.000 0.479 329 D N -3.651 116.796 120.400 0.078 0.000 2.513 329 D HA 0.029 4.670 4.640 0.001 0.000 0.222 329 D C 0.474 176.833 176.300 0.099 0.000 1.210 329 D CA -0.531 53.514 54.000 0.073 0.000 0.825 329 D CB -0.700 40.127 40.800 0.045 0.000 1.037 329 D HN 0.325 nan 8.370 nan 0.000 0.506 330 H N 2.707 121.790 119.070 0.021 0.000 3.231 330 H HA -0.091 4.466 4.556 0.001 0.000 0.280 330 H C 1.162 176.502 175.328 0.020 0.000 0.901 330 H CA 1.103 57.163 56.048 0.020 0.000 1.414 330 H CB 0.638 30.414 29.762 0.024 0.000 1.433 330 H HN 0.335 nan 8.280 nan 0.000 0.549 331 D N 4.513 124.973 120.400 0.099 0.000 2.220 331 D HA -0.265 4.376 4.640 0.001 0.000 0.198 331 D C 1.762 178.168 176.300 0.178 0.000 1.001 331 D CA 1.107 55.171 54.000 0.107 0.000 0.875 331 D CB 0.058 40.869 40.800 0.018 0.000 0.921 331 D HN 0.366 nan 8.370 nan 0.000 0.454 332 R N 0.236 120.962 120.500 0.377 0.000 2.119 332 R HA 0.173 4.513 4.340 0.001 0.000 0.222 332 R C 2.449 178.786 176.300 0.061 0.000 1.088 332 R CA 0.531 56.721 56.100 0.149 0.000 0.984 332 R CB -0.531 29.823 30.300 0.090 0.000 0.884 332 R HN 0.286 nan 8.270 nan 0.000 0.447 333 L N -0.420 120.861 121.223 0.095 0.000 2.395 333 L HA -0.015 4.326 4.340 0.001 0.000 0.218 333 L C 1.756 178.683 176.870 0.095 0.000 1.130 333 L CA 0.261 55.152 54.840 0.086 0.000 0.826 333 L CB -0.065 42.027 42.059 0.056 0.000 0.941 333 L HN -0.004 nan 8.230 nan 0.000 0.451 334 V N -0.585 119.388 119.914 0.098 0.000 2.453 334 V HA -0.174 3.947 4.120 0.001 0.000 0.247 334 V C 2.487 178.632 176.094 0.085 0.000 1.048 334 V CA 1.211 63.563 62.300 0.087 0.000 1.049 334 V CB -0.440 31.429 31.823 0.077 0.000 0.672 334 V HN 0.351 nan 8.190 nan 0.000 0.457 335 K N 0.717 121.152 120.400 0.058 0.000 2.103 335 K HA -0.114 4.206 4.320 0.001 0.000 0.207 335 K C 2.255 178.909 176.600 0.090 0.000 1.048 335 K CA 1.637 57.948 56.287 0.041 0.000 0.930 335 K CB -0.627 31.843 32.500 -0.049 0.000 0.716 335 K HN 0.494 nan 8.250 nan 0.000 0.444 336 A N 0.889 123.757 122.820 0.079 0.000 1.872 336 A HA -0.014 4.307 4.320 0.001 0.000 0.214 336 A C 2.505 180.233 177.584 0.241 0.000 1.187 336 A CA 1.849 53.982 52.037 0.161 0.000 0.614 336 A CB -1.089 18.037 19.000 0.210 0.000 0.826 336 A HN 0.353 nan 8.150 nan 0.000 0.442 337 G N -0.097 108.802 108.800 0.165 0.000 2.491 337 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 337 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 337 G C 1.394 176.393 174.900 0.167 0.000 1.180 337 G CA 1.155 46.341 45.100 0.144 0.000 0.774 337 G HN 0.476 nan 8.290 nan 0.000 0.562 338 E N -0.101 120.196 120.200 0.161 0.000 2.023 338 E HA -0.186 4.164 4.350 0.001 0.000 0.196 338 E C 2.012 178.726 176.600 0.190 0.000 1.003 338 E CA 1.163 57.651 56.400 0.147 0.000 0.809 338 E CB -0.598 29.180 29.700 0.129 0.000 0.755 338 E HN 0.638 nan 8.360 nan 0.000 0.449 339 W N 1.910 123.248 121.300 0.063 0.000 2.301 339 W HA -0.243 4.417 4.660 0.001 0.000 0.325 339 W C 2.295 178.870 176.519 0.092 0.000 1.250 339 W CA 2.029 59.422 57.345 0.079 0.000 1.261 339 W CB -0.663 28.864 29.460 0.111 0.000 1.157 339 W HN 0.006 nan 8.180 nan 0.000 0.473 340 L N 0.024 121.470 121.223 0.372 0.000 2.043 340 L HA -0.319 4.022 4.340 0.001 0.000 0.212 340 L C 2.549 179.504 176.870 0.140 0.000 1.075 340 L CA 1.605 56.566 54.840 0.201 0.000 0.752 340 L CB -1.112 41.069 42.059 0.204 0.000 0.891 340 L HN 0.148 nan 8.230 nan 0.000 0.432 341 L N -0.587 120.711 121.223 0.126 0.000 2.042 341 L HA -0.252 4.088 4.340 0.001 0.000 0.210 341 L C 2.104 178.976 176.870 0.003 0.000 1.076 341 L CA 1.217 56.126 54.840 0.115 0.000 0.749 341 L CB -0.645 41.465 42.059 0.086 0.000 0.893 341 L HN 0.339 nan 8.230 nan 0.000 0.432 342 D N -0.437 119.904 120.400 -0.097 0.000 2.310 342 D HA -0.111 4.530 4.640 0.001 0.000 0.212 342 D C 2.232 178.375 176.300 -0.261 0.000 0.965 342 D CA 0.594 54.484 54.000 -0.183 0.000 0.879 342 D CB 0.018 40.681 40.800 -0.229 0.000 0.921 342 D HN 0.241 nan 8.370 nan 0.000 0.510 343 R N 0.641 120.978 120.500 -0.271 0.000 2.100 343 R HA 0.017 4.358 4.340 0.001 0.000 0.220 343 R C 1.049 177.165 176.300 -0.308 0.000 1.091 343 R CA -0.014 55.920 56.100 -0.277 0.000 0.986 343 R CB -0.682 29.484 30.300 -0.223 0.000 0.888 343 R HN 0.332 nan 8.270 nan 0.000 0.444 344 Q N 1.685 121.226 119.800 -0.432 0.000 2.398 344 Q HA -0.106 4.235 4.340 0.001 0.000 0.329 344 Q C -0.441 175.193 176.000 -0.611 0.000 1.079 344 Q CA 0.236 55.431 55.803 -1.013 0.000 1.041 344 Q CB 0.393 28.668 28.738 -0.771 0.000 1.084 344 Q HN -0.012 nan 8.270 nan 0.000 0.386 345 I N 4.267 124.450 120.570 -0.645 0.000 2.575 345 I HA 0.014 4.185 4.170 0.001 0.000 0.285 345 I C 1.304 177.223 176.117 -0.328 0.000 1.085 345 I CA 0.396 61.453 61.300 -0.404 0.000 1.403 345 I CB 0.831 38.615 38.000 -0.360 0.000 1.409 345 I HN 0.850 nan 8.210 nan 0.000 0.557 346 T N 1.386 115.818 114.554 -0.202 0.000 3.170 346 T HA 0.353 4.703 4.350 0.001 0.000 0.288 346 T C -0.029 174.650 174.700 -0.034 0.000 0.992 346 T CA -0.324 61.705 62.100 -0.119 0.000 0.909 346 T CB -0.488 68.317 68.868 -0.105 0.000 1.133 346 T HN 0.417 nan 8.240 nan 0.000 0.530 347 V N -1.966 117.939 119.914 -0.014 0.000 2.769 347 V HA 0.801 4.921 4.120 0.001 0.000 0.312 347 V C -3.252 172.915 176.094 0.122 0.000 1.061 347 V CA -3.228 59.094 62.300 0.038 0.000 0.931 347 V CB 1.558 33.381 31.823 -0.001 0.000 1.010 347 V HN -0.127 nan 8.190 nan 0.000 0.433 348 P HA 0.340 nan 4.420 nan 0.000 0.263 348 P C 0.339 177.469 177.300 -0.285 0.000 1.195 348 P CA 0.861 63.817 63.100 -0.240 0.000 0.762 348 P CB 0.621 32.156 31.700 -0.274 0.000 0.799 349 G N 1.970 110.400 108.800 -0.616 0.000 2.857 349 G HA2 0.108 4.069 3.960 0.001 0.000 0.217 349 G HA3 0.108 4.069 3.960 0.001 0.000 0.217 349 G C 0.414 174.968 174.900 -0.576 0.000 1.357 349 G CA -0.304 44.576 45.100 -0.366 0.000 1.033 349 G HN 0.260 nan 8.290 nan 0.000 0.571 350 D N -0.269 119.973 120.400 -0.263 0.000 2.224 350 D HA -0.073 4.567 4.640 0.001 0.000 0.205 350 D C 2.318 178.622 176.300 0.007 0.000 0.965 350 D CA 0.910 54.894 54.000 -0.028 0.000 0.852 350 D CB -0.154 40.857 40.800 0.352 0.000 0.947 350 D HN 0.646 nan 8.370 nan 0.000 0.494 351 W N 1.397 122.834 121.300 0.230 0.000 2.350 351 W HA -0.070 4.591 4.660 0.001 0.000 0.289 351 W C 1.685 178.293 176.519 0.148 0.000 1.215 351 W CA 0.839 58.327 57.345 0.239 0.000 1.236 351 W CB -1.094 28.590 29.460 0.374 0.000 1.130 351 W HN -0.082 nan 8.180 nan 0.000 0.541 352 A N 1.387 123.826 122.820 -0.635 0.000 2.125 352 A HA -0.012 4.308 4.320 0.001 0.000 0.219 352 A C 2.136 179.584 177.584 -0.226 0.000 1.156 352 A CA 1.810 53.503 52.037 -0.574 0.000 0.671 352 A CB -0.797 17.612 19.000 -0.986 0.000 0.794 352 A HN 0.161 nan 8.150 nan 0.000 0.459 353 V N -0.304 119.481 119.914 -0.215 0.000 2.759 353 V HA -0.163 3.957 4.120 0.001 0.000 0.256 353 V C 2.278 178.309 176.094 -0.105 0.000 1.080 353 V CA 1.918 64.082 62.300 -0.228 0.000 1.101 353 V CB -0.438 31.112 31.823 -0.455 0.000 0.698 353 V HN 0.427 nan 8.190 nan 0.000 0.477 354 K N -0.320 120.078 120.400 -0.004 0.000 2.335 354 K HA 0.219 4.539 4.320 0.001 0.000 0.195 354 K C 0.860 177.504 176.600 0.073 0.000 1.058 354 K CA 0.296 56.608 56.287 0.042 0.000 0.988 354 K CB 0.420 32.971 32.500 0.084 0.000 0.880 354 K HN 0.243 nan 8.250 nan 0.000 0.513 355 R N 1.021 121.603 120.500 0.138 0.000 2.748 355 R HA 0.218 4.559 4.340 0.001 0.000 0.283 355 R C -2.292 174.115 176.300 0.177 0.000 1.507 355 R CA -1.546 54.661 56.100 0.180 0.000 1.666 355 R CB 0.898 31.360 30.300 0.270 0.000 1.237 355 R HN -0.097 nan 8.270 nan 0.000 0.633 356 P HA -0.075 nan 4.420 nan 0.000 0.221 356 P C 0.273 177.620 177.300 0.078 0.000 1.145 356 P CA 1.251 64.369 63.100 0.029 0.000 0.795 356 P CB 0.244 31.943 31.700 -0.001 0.000 0.775 357 N N -1.371 117.396 118.700 0.111 0.000 2.235 357 N HA 0.089 4.830 4.740 0.001 0.000 0.209 357 N C -0.182 175.433 175.510 0.174 0.000 1.122 357 N CA -0.460 52.660 53.050 0.117 0.000 0.845 357 N CB 0.150 38.687 38.487 0.083 0.000 1.004 357 N HN 0.057 nan 8.380 nan 0.000 0.499 358 L N 1.960 123.347 121.223 0.274 0.000 2.305 358 L HA 0.233 4.574 4.340 0.001 0.000 0.281 358 L C -0.300 176.840 176.870 0.450 0.000 1.085 358 L CA -0.421 54.626 54.840 0.344 0.000 0.813 358 L CB 0.552 42.843 42.059 0.387 0.000 1.157 358 L HN -0.180 nan 8.230 nan 0.000 0.436 359 K N 6.294 126.895 120.400 0.334 0.000 2.297 359 K HA 0.339 4.660 4.320 0.001 0.000 0.286 359 K C -2.305 174.496 176.600 0.336 0.000 1.053 359 K CA -1.820 54.647 56.287 0.300 0.000 0.940 359 K CB 0.474 33.083 32.500 0.182 0.000 1.019 359 K HN 0.436 nan 8.250 nan 0.000 0.475 360 P HA 0.005 nan 4.420 nan 0.000 0.265 360 P C 0.460 177.670 177.300 -0.152 0.000 1.187 360 P CA 0.382 63.537 63.100 0.092 0.000 0.766 360 P CB 0.536 32.343 31.700 0.178 0.000 0.820 361 G N 1.113 109.607 108.800 -0.510 0.000 4.694 361 G HA2 0.246 4.207 3.960 0.001 0.000 0.218 361 G HA3 0.246 4.207 3.960 0.001 0.000 0.218 361 G C 0.333 174.875 174.900 -0.598 0.000 0.652 361 G CA 0.174 45.039 45.100 -0.393 0.000 0.904 361 G HN 0.765 nan 8.290 nan 0.000 0.667 362 G N -0.259 107.870 108.800 -1.117 0.000 2.543 362 G HA2 0.642 4.602 3.960 0.001 0.000 0.290 362 G HA3 0.642 4.602 3.960 0.001 0.000 0.290 362 G C -0.821 173.613 174.900 -0.778 0.000 1.310 362 G CA -0.670 43.835 45.100 -0.991 0.000 1.025 362 G HN 0.079 nan 8.290 nan 0.000 0.502 363 F N -1.362 118.408 119.950 -0.301 0.000 2.620 363 F HA 0.731 5.258 4.527 0.001 0.000 0.320 363 F C 0.558 176.324 175.800 -0.058 0.000 1.069 363 F CA -0.675 57.240 58.000 -0.142 0.000 0.953 363 F CB 2.063 41.033 39.000 -0.050 0.000 1.322 363 F HN 0.664 nan 8.300 nan 0.000 0.479 364 A N 0.409 123.341 122.820 0.187 0.000 2.346 364 A HA 0.586 4.907 4.320 0.001 0.000 0.313 364 A C -0.085 177.644 177.584 0.242 0.000 1.140 364 A CA -0.421 51.737 52.037 0.202 0.000 0.826 364 A CB 0.442 19.534 19.000 0.154 0.000 1.332 364 A HN 0.770 nan 8.150 nan 0.000 0.457 365 F N 0.421 120.413 119.950 0.071 0.000 2.146 365 F HA -0.057 4.470 4.527 0.001 0.000 0.298 365 F C 1.667 177.442 175.800 -0.042 0.000 1.096 365 F CA 1.985 59.998 58.000 0.021 0.000 1.275 365 F CB 0.074 39.071 39.000 -0.005 0.000 1.008 365 F HN 0.641 nan 8.300 nan 0.000 0.480 366 Q N -0.815 118.957 119.800 -0.047 0.000 2.298 366 Q HA 0.133 4.474 4.340 0.001 0.000 0.181 366 Q C 1.088 176.896 176.000 -0.320 0.000 1.004 366 Q CA -0.445 55.156 55.803 -0.337 0.000 1.050 366 Q CB -0.732 27.922 28.738 -0.141 0.000 1.254 366 Q HN 0.172 nan 8.270 nan 0.000 0.531 367 F N 0.840 120.640 119.950 -0.249 0.000 2.031 367 F HA -0.100 4.428 4.527 0.001 0.000 0.295 367 F C 0.949 176.626 175.800 -0.205 0.000 1.133 367 F CA 1.794 59.642 58.000 -0.252 0.000 1.188 367 F CB -0.128 38.686 39.000 -0.310 0.000 0.974 367 F HN 0.561 nan 8.300 nan 0.000 0.473 368 D N -0.757 119.670 120.400 0.045 0.000 2.375 368 D HA 0.178 4.818 4.640 0.001 0.000 0.259 368 D C -1.277 174.977 176.300 -0.076 0.000 1.235 368 D CA -0.184 53.780 54.000 -0.059 0.000 0.924 368 D CB -0.109 40.638 40.800 -0.089 0.000 1.143 368 D HN 0.024 nan 8.370 nan 0.000 0.529 369 N N 3.267 121.926 118.700 -0.068 0.000 2.725 369 N HA 0.065 4.806 4.740 0.001 0.000 0.248 369 N C 0.822 176.282 175.510 -0.083 0.000 1.402 369 N CA -0.465 52.564 53.050 -0.036 0.000 0.766 369 N CB 0.962 39.515 38.487 0.110 0.000 1.223 369 N HN 0.123 nan 8.380 nan 0.000 0.515 370 V N 0.340 120.086 119.914 -0.280 0.000 2.515 370 V HA -0.042 4.079 4.120 0.001 0.000 0.250 370 V C 0.995 176.921 176.094 -0.279 0.000 1.058 370 V CA 1.255 63.347 62.300 -0.346 0.000 1.064 370 V CB -1.071 30.442 31.823 -0.518 0.000 0.675 370 V HN 0.373 nan 8.190 nan 0.000 0.461 371 Y N -0.521 119.673 120.300 -0.177 0.000 2.529 371 Y HA 0.339 4.890 4.550 0.001 0.000 0.290 371 Y C 0.466 175.989 175.900 -0.628 0.000 1.177 371 Y CA -0.649 57.196 58.100 -0.424 0.000 1.305 371 Y CB -0.596 37.473 38.460 -0.653 0.000 1.047 371 Y HN 0.406 nan 8.280 nan 0.000 0.522 372 Y N 0.307 120.791 120.300 0.306 0.000 2.558 372 Y HA 0.332 4.883 4.550 0.001 0.000 0.316 372 Y C -2.579 173.569 175.900 0.413 0.000 0.967 372 Y CA -3.519 54.806 58.100 0.374 0.000 1.126 372 Y CB 0.241 38.844 38.460 0.238 0.000 1.155 372 Y HN -0.089 nan 8.280 nan 0.000 0.628 373 P HA 0.127 nan 4.420 nan 0.000 0.275 373 P C -0.582 176.949 177.300 0.384 0.000 1.228 373 P CA 0.088 63.311 63.100 0.205 0.000 0.786 373 P CB 1.772 33.312 31.700 -0.266 0.000 0.927 374 D N 1.136 121.674 120.400 0.231 0.000 2.342 374 D HA 0.106 4.746 4.640 0.001 0.000 0.243 374 D C 1.041 177.423 176.300 0.138 0.000 1.019 374 D CA -0.865 53.161 54.000 0.043 0.000 0.864 374 D CB 1.815 42.342 40.800 -0.454 0.000 1.315 374 D HN -0.014 nan 8.370 nan 0.000 0.468 375 V N 1.323 121.296 119.914 0.098 0.000 2.332 375 V HA -0.272 3.849 4.120 0.001 0.000 0.248 375 V C 2.097 178.178 176.094 -0.021 0.000 1.055 375 V CA 2.068 64.404 62.300 0.060 0.000 1.038 375 V CB -0.620 31.164 31.823 -0.066 0.000 0.651 375 V HN 0.716 nan 8.190 nan 0.000 0.450 376 D N 0.011 120.352 120.400 -0.099 0.000 2.108 376 D HA -0.207 4.434 4.640 0.001 0.000 0.190 376 D C 2.002 178.369 176.300 0.112 0.000 0.995 376 D CA 1.746 55.729 54.000 -0.028 0.000 0.834 376 D CB -0.270 40.394 40.800 -0.227 0.000 0.967 376 D HN 0.413 nan 8.370 nan 0.000 0.446 377 D N -0.404 120.039 120.400 0.071 0.000 2.103 377 D HA -0.144 4.497 4.640 0.001 0.000 0.190 377 D C 2.005 178.408 176.300 0.172 0.000 0.997 377 D CA 1.791 55.938 54.000 0.245 0.000 0.833 377 D CB -0.464 40.469 40.800 0.223 0.000 0.961 377 D HN 0.262 nan 8.370 nan 0.000 0.447 378 T N 1.370 116.038 114.554 0.190 0.000 2.653 378 T HA -0.229 4.121 4.350 0.001 0.000 0.268 378 T C 2.014 176.773 174.700 0.098 0.000 1.035 378 T CA 2.007 64.248 62.100 0.234 0.000 1.154 378 T CB -0.428 68.655 68.868 0.359 0.000 0.862 378 T HN 0.252 nan 8.240 nan 0.000 0.441 379 A N 1.027 123.882 122.820 0.058 0.000 1.865 379 A HA -0.077 4.243 4.320 0.001 0.000 0.217 379 A C 2.655 180.301 177.584 0.103 0.000 1.191 379 A CA 1.808 53.845 52.037 0.001 0.000 0.623 379 A CB -1.158 17.769 19.000 -0.121 0.000 0.826 379 A HN 0.357 nan 8.150 nan 0.000 0.444 380 V N -0.191 119.790 119.914 0.112 0.000 2.332 380 V HA -0.261 3.860 4.120 0.001 0.000 0.248 380 V C 2.574 178.611 176.094 -0.095 0.000 1.055 380 V CA 2.088 64.411 62.300 0.038 0.000 1.038 380 V CB -0.992 30.796 31.823 -0.059 0.000 0.651 380 V HN 0.379 nan 8.190 nan 0.000 0.450 381 V N -0.301 119.519 119.914 -0.156 0.000 2.261 381 V HA -0.216 3.904 4.120 0.001 0.000 0.246 381 V C 2.422 178.372 176.094 -0.241 0.000 1.047 381 V CA 1.977 64.069 62.300 -0.348 0.000 1.015 381 V CB -0.552 30.738 31.823 -0.889 0.000 0.642 381 V HN 0.405 nan 8.190 nan 0.000 0.446 382 V N -0.745 119.103 119.914 -0.109 0.000 2.295 382 V HA -0.273 3.847 4.120 0.001 0.000 0.246 382 V C 2.121 178.350 176.094 0.225 0.000 1.049 382 V CA 2.309 64.692 62.300 0.137 0.000 1.024 382 V CB -0.867 31.140 31.823 0.306 0.000 0.648 382 V HN 0.823 nan 8.190 nan 0.000 0.447 383 W N 1.546 122.822 121.300 -0.040 0.000 2.342 383 W HA -0.196 4.465 4.660 0.001 0.000 0.297 383 W C 2.408 178.835 176.519 -0.154 0.000 1.213 383 W CA 1.782 59.036 57.345 -0.151 0.000 1.251 383 W CB -0.775 28.582 29.460 -0.172 0.000 1.136 383 W HN 0.218 nan 8.180 nan 0.000 0.526 384 A N 0.566 123.265 122.820 -0.201 0.000 1.902 384 A HA -0.152 4.169 4.320 0.001 0.000 0.217 384 A C 2.295 179.801 177.584 -0.130 0.000 1.181 384 A CA 1.912 53.751 52.037 -0.330 0.000 0.623 384 A CB -1.073 17.729 19.000 -0.330 0.000 0.818 384 A HN 0.360 nan 8.150 nan 0.000 0.443 385 L N -0.406 120.795 121.223 -0.036 0.000 2.046 385 L HA -0.197 4.144 4.340 0.001 0.000 0.208 385 L C 2.375 179.288 176.870 0.071 0.000 1.077 385 L CA 1.538 56.400 54.840 0.037 0.000 0.747 385 L CB -0.641 41.469 42.059 0.085 0.000 0.896 385 L HN 0.495 nan 8.230 nan 0.000 0.432 386 N N -0.208 118.549 118.700 0.095 0.000 2.513 386 N HA -0.185 4.555 4.740 0.001 0.000 0.187 386 N C 1.537 177.071 175.510 0.039 0.000 1.056 386 N CA 1.618 54.717 53.050 0.081 0.000 0.907 386 N CB 0.030 38.432 38.487 -0.141 0.000 0.954 386 N HN 0.441 nan 8.380 nan 0.000 0.445 387 T N -3.420 111.142 114.554 0.014 0.000 3.023 387 T HA 0.256 4.606 4.350 0.001 0.000 0.253 387 T C 0.604 175.312 174.700 0.012 0.000 1.038 387 T CA -0.294 61.808 62.100 0.004 0.000 0.962 387 T CB -0.011 68.829 68.868 -0.047 0.000 1.018 387 T HN -0.031 nan 8.240 nan 0.000 0.521 388 L N 0.970 122.207 121.223 0.023 0.000 2.358 388 L HA 0.621 4.962 4.340 0.001 0.000 0.268 388 L C 0.392 177.295 176.870 0.055 0.000 1.032 388 L CA -1.353 53.510 54.840 0.037 0.000 0.805 388 L CB 1.231 43.314 42.059 0.039 0.000 1.253 388 L HN -0.082 nan 8.230 nan 0.000 0.452 389 R N 2.362 122.896 120.500 0.056 0.000 2.352 389 R HA 0.499 4.840 4.340 0.001 0.000 0.304 389 R C -1.098 175.236 176.300 0.057 0.000 1.104 389 R CA -0.465 55.669 56.100 0.057 0.000 0.991 389 R CB 0.991 31.321 30.300 0.050 0.000 1.140 389 R HN 0.489 nan 8.270 nan 0.000 0.540 390 L N 3.034 124.294 121.223 0.061 0.000 2.439 390 L HA 0.347 4.688 4.340 0.001 0.000 0.259 390 L C -1.222 175.678 176.870 0.050 0.000 1.129 390 L CA -2.040 52.835 54.840 0.059 0.000 0.803 390 L CB 0.643 42.743 42.059 0.068 0.000 1.161 390 L HN 0.142 nan 8.230 nan 0.000 0.462 391 P HA -0.173 nan 4.420 nan 0.000 0.214 391 P C -0.125 177.196 177.300 0.035 0.000 1.163 391 P CA 1.234 64.356 63.100 0.036 0.000 0.889 391 P CB 0.105 31.825 31.700 0.033 0.000 0.790 392 D N -0.412 120.010 120.400 0.038 0.000 2.468 392 D HA 0.008 4.649 4.640 0.001 0.000 0.218 392 D C 0.984 177.309 176.300 0.042 0.000 1.155 392 D CA -0.037 53.984 54.000 0.035 0.000 0.924 392 D CB -0.100 40.719 40.800 0.032 0.000 1.029 392 D HN -0.095 nan 8.370 nan 0.000 0.515 393 E N 2.289 122.513 120.200 0.040 0.000 2.338 393 E HA -0.155 4.196 4.350 0.001 0.000 0.197 393 E C 1.645 178.272 176.600 0.045 0.000 1.007 393 E CA 0.301 56.729 56.400 0.047 0.000 0.849 393 E CB 0.236 29.962 29.700 0.043 0.000 0.774 393 E HN 0.392 nan 8.360 nan 0.000 0.506 394 R N 1.372 121.893 120.500 0.036 0.000 2.075 394 R HA -0.082 4.259 4.340 0.001 0.000 0.232 394 R C 2.144 178.466 176.300 0.037 0.000 1.126 394 R CA 1.688 57.807 56.100 0.031 0.000 0.963 394 R CB -0.384 29.929 30.300 0.022 0.000 0.858 394 R HN -0.048 nan 8.270 nan 0.000 0.435 395 R N 0.183 120.707 120.500 0.040 0.000 2.062 395 R HA 0.028 4.368 4.340 0.001 0.000 0.231 395 R C 2.448 178.788 176.300 0.067 0.000 1.136 395 R CA 1.922 58.050 56.100 0.046 0.000 0.948 395 R CB -0.417 29.909 30.300 0.042 0.000 0.845 395 R HN 0.266 nan 8.270 nan 0.000 0.430 396 R N -0.320 120.226 120.500 0.076 0.000 2.091 396 R HA -0.170 4.170 4.340 0.001 0.000 0.238 396 R C 2.256 178.623 176.300 0.113 0.000 1.136 396 R CA 1.869 58.030 56.100 0.101 0.000 0.959 396 R CB -0.169 30.189 30.300 0.097 0.000 0.856 396 R HN 0.045 nan 8.270 nan 0.000 0.437 397 R N 0.711 121.264 120.500 0.088 0.000 2.070 397 R HA -0.132 4.209 4.340 0.001 0.000 0.233 397 R C 1.692 178.032 176.300 0.067 0.000 1.137 397 R CA 2.279 58.427 56.100 0.080 0.000 0.945 397 R CB -0.707 29.625 30.300 0.053 0.000 0.845 397 R HN 0.245 nan 8.270 nan 0.000 0.430 398 D N -0.672 119.761 120.400 0.055 0.000 2.097 398 D HA -0.078 4.563 4.640 0.001 0.000 0.195 398 D C 1.691 178.032 176.300 0.068 0.000 0.989 398 D CA 1.768 55.795 54.000 0.045 0.000 0.827 398 D CB -0.192 40.627 40.800 0.032 0.000 0.966 398 D HN 0.335 nan 8.370 nan 0.000 0.456 399 A N 0.367 123.242 122.820 0.092 0.000 1.859 399 A HA -0.272 4.048 4.320 0.001 0.000 0.217 399 A C 2.303 180.001 177.584 0.190 0.000 1.198 399 A CA 2.170 54.288 52.037 0.134 0.000 0.629 399 A CB -0.860 18.242 19.000 0.170 0.000 0.830 399 A HN 0.301 nan 8.150 nan 0.000 0.446 400 M N -0.884 118.841 119.600 0.208 0.000 2.108 400 M HA -0.187 4.293 4.480 0.001 0.000 0.257 400 M C 2.278 178.702 176.300 0.207 0.000 1.071 400 M CA 2.175 57.634 55.300 0.265 0.000 1.093 400 M CB -0.967 31.814 32.600 0.301 0.000 1.345 400 M HN 0.540 nan 8.290 nan 0.000 0.403 401 T N 0.553 115.165 114.554 0.097 0.000 2.643 401 T HA -0.140 4.211 4.350 0.001 0.000 0.264 401 T C 1.745 176.512 174.700 0.111 0.000 1.045 401 T CA 1.371 63.486 62.100 0.024 0.000 1.155 401 T CB -0.218 68.634 68.868 -0.027 0.000 0.863 401 T HN 0.373 nan 8.240 nan 0.000 0.420 402 K N 0.606 121.070 120.400 0.105 0.000 2.034 402 K HA -0.122 4.199 4.320 0.001 0.000 0.214 402 K C 2.606 179.318 176.600 0.187 0.000 1.051 402 K CA 1.513 57.868 56.287 0.113 0.000 0.931 402 K CB -0.746 31.784 32.500 0.049 0.000 0.715 402 K HN 0.402 nan 8.250 nan 0.000 0.446 403 G N 1.167 110.099 108.800 0.219 0.000 2.446 403 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 403 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 403 G C 1.359 176.490 174.900 0.386 0.000 1.168 403 G CA 0.691 45.976 45.100 0.308 0.000 0.771 403 G HN 0.218 nan 8.290 nan 0.000 0.551 404 F N 1.868 121.928 119.950 0.184 0.000 2.065 404 F HA -0.077 4.451 4.527 0.001 0.000 0.298 404 F C 2.877 178.763 175.800 0.144 0.000 1.112 404 F CA 1.706 59.791 58.000 0.143 0.000 1.212 404 F CB -0.320 38.625 39.000 -0.091 0.000 0.975 404 F HN 0.018 nan 8.300 nan 0.000 0.476 405 R N -1.541 119.254 120.500 0.491 0.000 2.152 405 R HA -0.233 4.107 4.340 0.001 0.000 0.232 405 R C 2.081 178.565 176.300 0.307 0.000 1.117 405 R CA 1.615 57.928 56.100 0.356 0.000 0.981 405 R CB -0.926 29.499 30.300 0.209 0.000 0.870 405 R HN 0.505 nan 8.270 nan 0.000 0.451 406 W N 1.375 122.736 121.300 0.101 0.000 2.408 406 W HA -0.037 4.624 4.660 0.001 0.000 0.311 406 W C 1.714 178.240 176.519 0.012 0.000 1.190 406 W CA 1.021 58.357 57.345 -0.015 0.000 1.321 406 W CB -0.271 29.115 29.460 -0.123 0.000 1.143 406 W HN -0.126 nan 8.180 nan 0.000 0.501 407 I N 0.192 120.867 120.570 0.174 0.000 2.248 407 I HA -0.341 3.830 4.170 0.001 0.000 0.248 407 I C 1.989 178.149 176.117 0.072 0.000 1.107 407 I CA 1.357 62.621 61.300 -0.060 0.000 1.373 407 I CB -0.907 37.017 38.000 -0.125 0.000 1.055 407 I HN -0.146 nan 8.210 nan 0.000 0.418 408 V N 0.765 120.809 119.914 0.218 0.000 2.453 408 V HA -0.136 3.984 4.120 0.001 0.000 0.247 408 V C 2.409 178.633 176.094 0.217 0.000 1.048 408 V CA 1.953 64.466 62.300 0.356 0.000 1.049 408 V CB -1.063 30.990 31.823 0.383 0.000 0.672 408 V HN 0.563 nan 8.190 nan 0.000 0.457 409 G N -1.166 107.671 108.800 0.062 0.000 2.848 409 G HA2 -0.076 3.885 3.960 0.001 0.000 0.208 409 G HA3 -0.076 3.885 3.960 0.001 0.000 0.208 409 G C 1.251 176.068 174.900 -0.138 0.000 1.152 409 G CA 0.152 45.236 45.100 -0.028 0.000 0.789 409 G HN 0.327 nan 8.290 nan 0.000 0.531 410 M N -0.162 119.337 119.600 -0.168 0.000 2.414 410 M HA 0.199 4.680 4.480 0.001 0.000 0.251 410 M C 1.064 177.334 176.300 -0.050 0.000 1.116 410 M CA -0.168 55.011 55.300 -0.202 0.000 1.056 410 M CB -0.377 31.934 32.600 -0.482 0.000 1.388 410 M HN 0.274 nan 8.290 nan 0.000 0.487 411 Q N 1.572 121.347 119.800 -0.042 0.000 2.283 411 Q HA 0.034 4.374 4.340 0.001 0.000 0.301 411 Q C -0.473 175.211 176.000 -0.525 0.000 1.063 411 Q CA 0.398 55.720 55.803 -0.801 0.000 0.952 411 Q CB 0.797 29.040 28.738 -0.824 0.000 1.166 411 Q HN 0.165 nan 8.270 nan 0.000 0.381 412 S N 1.722 117.069 115.700 -0.588 0.000 2.681 412 S HA 0.119 4.590 4.470 0.001 0.000 0.270 412 S C 1.122 175.520 174.600 -0.336 0.000 1.209 412 S CA -0.600 57.389 58.200 -0.352 0.000 0.988 412 S CB 1.486 64.518 63.200 -0.280 0.000 1.006 412 S HN 0.789 nan 8.310 nan 0.000 0.558 413 S N 2.208 117.777 115.700 -0.218 0.000 2.372 413 S HA -0.221 4.250 4.470 0.001 0.000 0.227 413 S C 1.489 175.973 174.600 -0.194 0.000 1.044 413 S CA 2.122 60.218 58.200 -0.172 0.000 1.050 413 S CB -0.731 62.404 63.200 -0.108 0.000 0.901 413 S HN 0.859 nan 8.310 nan 0.000 0.447 414 N N 0.697 119.262 118.700 -0.226 0.000 2.515 414 N HA 0.227 4.967 4.740 0.001 0.000 0.191 414 N C 0.994 176.321 175.510 -0.305 0.000 1.182 414 N CA 0.867 53.794 53.050 -0.205 0.000 0.879 414 N CB -0.328 38.064 38.487 -0.158 0.000 0.984 414 N HN 0.401 nan 8.380 nan 0.000 0.453 415 G N -2.082 106.469 108.800 -0.415 0.000 2.225 415 G HA2 -0.223 3.737 3.960 0.001 0.000 0.254 415 G HA3 -0.223 3.737 3.960 0.001 0.000 0.254 415 G C 0.397 174.844 174.900 -0.755 0.000 0.988 415 G CA 0.028 44.836 45.100 -0.487 0.000 0.625 415 G HN 0.812 nan 8.290 nan 0.000 0.527 416 G N -1.531 106.691 108.800 -0.965 0.000 2.522 416 G HA2 0.492 4.452 3.960 0.001 0.000 0.304 416 G HA3 0.492 4.452 3.960 0.001 0.000 0.304 416 G C -0.346 174.095 174.900 -0.765 0.000 1.210 416 G CA -0.576 43.912 45.100 -1.020 0.000 0.960 416 G HN 0.230 nan 8.290 nan 0.000 0.497 417 W N -0.038 121.099 121.300 -0.272 0.000 2.573 417 W HA 0.524 5.185 4.660 0.001 0.000 0.326 417 W C 0.555 177.021 176.519 -0.089 0.000 1.049 417 W CA -0.678 56.563 57.345 -0.174 0.000 1.220 417 W CB 1.917 31.279 29.460 -0.164 0.000 1.373 417 W HN 0.795 nan 8.180 nan 0.000 0.507 418 G N 0.842 109.733 108.800 0.152 0.000 2.504 418 G HA2 0.446 4.407 3.960 0.001 0.000 0.257 418 G HA3 0.446 4.407 3.960 0.001 0.000 0.257 418 G C 0.389 175.383 174.900 0.157 0.000 1.451 418 G CA 0.400 45.603 45.100 0.173 0.000 1.059 418 G HN 0.501 nan 8.290 nan 0.000 0.550 419 A N -2.644 120.262 122.820 0.143 0.000 2.026 419 A HA 0.458 4.778 4.320 0.001 0.000 0.201 419 A C 1.602 179.023 177.584 -0.272 0.000 1.318 419 A CA 0.649 52.594 52.037 -0.154 0.000 0.857 419 A CB 0.155 18.973 19.000 -0.304 0.000 0.939 419 A HN 0.529 nan 8.150 nan 0.000 0.476 420 Y N -0.381 120.081 120.300 0.270 0.000 2.723 420 Y HA 0.279 4.829 4.550 0.001 0.000 0.272 420 Y C 0.330 176.434 175.900 0.340 0.000 1.142 420 Y CA -0.512 57.792 58.100 0.339 0.000 1.217 420 Y CB 0.572 39.263 38.460 0.385 0.000 1.391 420 Y HN 0.104 nan 8.280 nan 0.000 0.479 421 D N -0.411 120.243 120.400 0.424 0.000 2.467 421 D HA 0.488 5.128 4.640 0.001 0.000 0.245 421 D C -0.937 175.476 176.300 0.188 0.000 1.038 421 D CA -0.386 53.807 54.000 0.323 0.000 1.038 421 D CB 3.008 43.989 40.800 0.301 0.000 1.278 421 D HN -0.295 nan 8.370 nan 0.000 0.564 422 V N 1.049 121.046 119.914 0.139 0.000 2.532 422 V HA 0.094 4.215 4.120 0.001 0.000 0.295 422 V C -0.014 176.103 176.094 0.039 0.000 1.041 422 V CA -0.524 61.806 62.300 0.050 0.000 0.926 422 V CB 1.287 33.121 31.823 0.019 0.000 0.992 422 V HN 0.577 nan 8.190 nan 0.000 0.457 423 D N 2.924 123.319 120.400 -0.008 0.000 2.706 423 D HA -0.197 4.444 4.640 0.001 0.000 0.230 423 D C 0.561 176.874 176.300 0.022 0.000 1.184 423 D CA 0.666 54.659 54.000 -0.012 0.000 0.628 423 D CB -0.565 40.220 40.800 -0.025 0.000 1.019 423 D HN 0.725 nan 8.370 nan 0.000 0.415 424 N N 0.715 119.445 118.700 0.050 0.000 3.303 424 N HA 0.004 4.745 4.740 0.001 0.000 0.304 424 N C 0.667 176.196 175.510 0.031 0.000 1.302 424 N CA 0.269 53.353 53.050 0.056 0.000 1.213 424 N CB 0.153 38.697 38.487 0.095 0.000 1.481 424 N HN 0.194 nan 8.380 nan 0.000 0.546 425 T N -2.982 111.578 114.554 0.010 0.000 3.092 425 T HA 0.084 4.434 4.350 0.001 0.000 0.258 425 T C 0.771 175.456 174.700 -0.025 0.000 1.031 425 T CA -0.456 61.644 62.100 -0.001 0.000 0.925 425 T CB 0.048 68.916 68.868 0.001 0.000 1.036 425 T HN 0.123 nan 8.240 nan 0.000 0.544 426 S N 1.577 117.252 115.700 -0.043 0.000 2.563 426 S HA -0.019 4.452 4.470 0.001 0.000 0.294 426 S C 0.743 175.284 174.600 -0.099 0.000 1.279 426 S CA -0.018 58.142 58.200 -0.066 0.000 1.069 426 S CB 0.257 63.401 63.200 -0.094 0.000 0.828 426 S HN 0.518 nan 8.310 nan 0.000 0.497 427 D N 3.383 123.740 120.400 -0.072 0.000 2.349 427 D HA 0.116 4.756 4.640 0.001 0.000 0.214 427 D C 1.531 177.750 176.300 -0.136 0.000 1.063 427 D CA -0.161 53.782 54.000 -0.095 0.000 0.847 427 D CB -0.022 40.772 40.800 -0.009 0.000 0.933 427 D HN 0.430 nan 8.370 nan 0.000 0.513 428 L N 1.617 122.776 121.223 -0.106 0.000 1.976 428 L HA -0.005 4.335 4.340 0.001 0.000 0.209 428 L C -0.695 176.008 176.870 -0.278 0.000 1.071 428 L CA 1.891 56.688 54.840 -0.072 0.000 0.746 428 L CB -1.849 40.181 42.059 -0.048 0.000 0.890 428 L HN 0.148 nan 8.230 nan 0.000 0.432 429 P HA -0.173 nan 4.420 nan 0.000 0.221 429 P C 0.827 177.857 177.300 -0.451 0.000 1.145 429 P CA 1.120 63.890 63.100 -0.551 0.000 0.795 429 P CB -0.314 30.810 31.700 -0.961 0.000 0.775 430 N N -0.599 117.789 118.700 -0.520 0.000 2.609 430 N HA -0.099 4.641 4.740 0.001 0.000 0.190 430 N C 1.012 176.114 175.510 -0.681 0.000 1.157 430 N CA 0.741 53.457 53.050 -0.557 0.000 0.918 430 N CB -0.302 37.847 38.487 -0.562 0.000 0.978 430 N HN 0.459 nan 8.380 nan 0.000 0.448 431 H N -0.638 118.203 119.070 -0.381 0.000 3.046 431 H HA 0.200 4.756 4.556 0.001 0.000 0.262 431 H C 0.652 175.605 175.328 -0.626 0.000 1.044 431 H CA -0.419 55.340 56.048 -0.482 0.000 1.209 431 H CB 1.097 30.513 29.762 -0.576 0.000 1.507 431 H HN 0.013 nan 8.280 nan 0.000 0.507 432 I N 3.188 123.441 120.570 -0.529 0.000 2.775 432 I HA -0.032 4.138 4.170 0.001 0.000 0.290 432 I C -1.188 174.890 176.117 -0.065 0.000 1.203 432 I CA -1.499 59.624 61.300 -0.295 0.000 1.433 432 I CB 0.026 37.974 38.000 -0.087 0.000 1.354 432 I HN -0.098 nan 8.210 nan 0.000 0.579 433 P HA -0.209 nan 4.420 nan 0.000 0.216 433 P C 1.851 179.197 177.300 0.077 0.000 1.153 433 P CA 1.372 64.523 63.100 0.085 0.000 0.858 433 P CB 0.009 31.797 31.700 0.146 0.000 0.789 434 F N 0.355 120.287 119.950 -0.030 0.000 2.126 434 F HA -0.146 4.381 4.527 0.001 0.000 0.299 434 F C 0.684 176.400 175.800 -0.139 0.000 1.096 434 F CA 0.981 58.932 58.000 -0.082 0.000 1.255 434 F CB -0.649 38.307 39.000 -0.073 0.000 0.997 434 F HN -0.179 nan 8.300 nan 0.000 0.479 435 C N 3.295 122.565 119.300 -0.050 0.000 2.428 435 C HA 0.165 4.625 4.460 0.001 0.000 0.362 435 C C 0.759 175.647 174.990 -0.171 0.000 1.114 435 C CA 0.057 58.988 59.018 -0.145 0.000 1.473 435 C CB -1.852 25.883 27.740 -0.010 0.000 2.003 435 C HN 0.576 nan 8.230 nan 0.000 0.526 436 D N 0.130 120.396 120.400 -0.224 0.000 2.539 436 D HA 0.078 4.719 4.640 0.001 0.000 0.232 436 D C -0.259 176.024 176.300 -0.028 0.000 1.256 436 D CA -0.147 53.783 54.000 -0.116 0.000 0.810 436 D CB -0.038 40.700 40.800 -0.102 0.000 1.090 436 D HN 0.387 nan 8.370 nan 0.000 0.519 437 F N 1.731 121.544 119.950 -0.229 0.000 2.499 437 F HA 0.531 5.058 4.527 0.001 0.000 0.333 437 F C 0.760 176.433 175.800 -0.211 0.000 1.138 437 F CA 0.583 58.503 58.000 -0.133 0.000 0.945 437 F CB 1.370 40.346 39.000 -0.041 0.000 1.181 437 F HN 0.206 nan 8.300 nan 0.000 0.435 438 G N 4.656 112.908 108.800 -0.912 0.000 2.692 438 G HA2 -0.197 3.763 3.960 0.001 0.000 0.248 438 G HA3 -0.197 3.763 3.960 0.001 0.000 0.248 438 G C -0.595 173.736 174.900 -0.949 0.000 1.340 438 G CA -0.484 43.899 45.100 -1.196 0.000 0.896 438 G HN 0.733 nan 8.290 nan 0.000 0.570 439 E N -0.758 118.662 120.200 -1.300 0.000 2.366 439 E HA 0.411 4.762 4.350 0.001 0.000 0.266 439 E C 1.071 177.650 176.600 -0.036 0.000 1.051 439 E CA 0.096 56.245 56.400 -0.419 0.000 0.884 439 E CB 1.548 31.236 29.700 -0.021 0.000 1.006 439 E HN 0.532 nan 8.360 nan 0.000 0.417 440 V N 0.423 120.390 119.914 0.088 0.000 3.485 440 V HA 0.013 4.134 4.120 0.001 0.000 0.280 440 V C 0.581 176.675 176.094 -0.001 0.000 1.495 440 V CA 0.542 62.914 62.300 0.120 0.000 1.018 440 V CB 0.814 32.660 31.823 0.039 0.000 0.818 440 V HN 0.730 nan 8.190 nan 0.000 0.436 441 T N -2.501 112.076 114.554 0.038 0.000 2.942 441 T HA 0.624 4.974 4.350 0.001 0.000 0.289 441 T C -0.995 173.794 174.700 0.148 0.000 1.044 441 T CA -0.427 61.665 62.100 -0.014 0.000 1.023 441 T CB 2.619 71.462 68.868 -0.042 0.000 1.123 441 T HN 0.020 nan 8.240 nan 0.000 0.512 442 D N 2.344 122.819 120.400 0.124 0.000 2.517 442 D HA 0.388 5.028 4.640 0.001 0.000 0.301 442 D C -2.341 174.113 176.300 0.256 0.000 1.202 442 D CA -1.934 52.261 54.000 0.324 0.000 0.910 442 D CB 0.737 41.731 40.800 0.323 0.000 1.021 442 D HN 0.332 nan 8.370 nan 0.000 0.499 443 P HA 0.376 nan 4.420 nan 0.000 0.278 443 P C -2.698 174.707 177.300 0.175 0.000 1.266 443 P CA -1.665 61.524 63.100 0.147 0.000 0.807 443 P CB 0.446 32.216 31.700 0.116 0.000 1.094 444 P HA 0.112 nan 4.420 nan 0.000 0.271 444 P C -0.197 177.225 177.300 0.204 0.000 1.216 444 P CA 0.386 63.521 63.100 0.058 0.000 0.776 444 P CB 0.276 31.845 31.700 -0.218 0.000 0.881 445 S N 0.718 116.579 115.700 0.269 0.000 2.600 445 S HA 0.390 4.860 4.470 0.001 0.000 0.300 445 S C 0.724 175.529 174.600 0.341 0.000 1.087 445 S CA -0.624 57.778 58.200 0.337 0.000 0.965 445 S CB 1.714 65.110 63.200 0.327 0.000 1.089 445 S HN 0.216 nan 8.310 nan 0.000 0.496 446 E N 1.243 121.598 120.200 0.259 0.000 2.072 446 E HA -0.099 4.251 4.350 0.001 0.000 0.191 446 E C 1.299 177.839 176.600 -0.100 0.000 0.985 446 E CA 1.780 58.234 56.400 0.089 0.000 0.801 446 E CB -0.387 29.299 29.700 -0.023 0.000 0.750 446 E HN 0.881 nan 8.360 nan 0.000 0.452 447 D N 0.438 120.740 120.400 -0.162 0.000 2.104 447 D HA -0.176 4.464 4.640 0.001 0.000 0.194 447 D C 1.837 177.847 176.300 -0.483 0.000 0.994 447 D CA 1.052 54.791 54.000 -0.434 0.000 0.830 447 D CB -0.671 39.898 40.800 -0.384 0.000 0.959 447 D HN 0.074 nan 8.370 nan 0.000 0.452 448 V N 0.738 120.575 119.914 -0.128 0.000 2.255 448 V HA -0.286 3.835 4.120 0.001 0.000 0.247 448 V C 2.604 178.663 176.094 -0.057 0.000 1.051 448 V CA 2.361 64.636 62.300 -0.042 0.000 1.018 448 V CB -1.099 30.773 31.823 0.081 0.000 0.641 448 V HN 0.337 nan 8.190 nan 0.000 0.445 449 T N 0.556 115.151 114.554 0.068 0.000 2.635 449 T HA -0.273 4.077 4.350 0.001 0.000 0.267 449 T C 2.075 176.741 174.700 -0.057 0.000 1.040 449 T CA 1.979 64.189 62.100 0.183 0.000 1.156 449 T CB -0.644 68.403 68.868 0.300 0.000 0.863 449 T HN 0.596 nan 8.240 nan 0.000 0.430 450 A N 1.424 124.135 122.820 -0.180 0.000 1.869 450 A HA -0.273 4.048 4.320 0.001 0.000 0.218 450 A C 1.936 179.379 177.584 -0.234 0.000 1.203 450 A CA 2.339 54.209 52.037 -0.280 0.000 0.638 450 A CB -1.320 17.426 19.000 -0.424 0.000 0.831 450 A HN 0.769 nan 8.150 nan 0.000 0.450 451 H N -1.313 117.624 119.070 -0.222 0.000 2.353 451 H HA -0.115 4.441 4.556 0.001 0.000 0.298 451 H C 2.111 177.213 175.328 -0.376 0.000 1.103 451 H CA 1.062 56.988 56.048 -0.203 0.000 1.293 451 H CB -0.086 29.643 29.762 -0.054 0.000 1.372 451 H HN 0.316 nan 8.280 nan 0.000 0.501 452 V N 0.617 120.295 119.914 -0.393 0.000 2.295 452 V HA -0.239 3.881 4.120 0.001 0.000 0.246 452 V C 2.261 177.737 176.094 -1.029 0.000 1.049 452 V CA 1.463 63.229 62.300 -0.890 0.000 1.024 452 V CB -0.448 30.514 31.823 -1.435 0.000 0.648 452 V HN 0.227 nan 8.190 nan 0.000 0.447 453 L N 0.024 120.866 121.223 -0.636 0.000 2.083 453 L HA -0.191 4.149 4.340 0.001 0.000 0.209 453 L C 2.471 179.121 176.870 -0.367 0.000 1.083 453 L CA 2.124 56.721 54.840 -0.406 0.000 0.752 453 L CB -0.802 41.158 42.059 -0.165 0.000 0.899 453 L HN 0.438 nan 8.230 nan 0.000 0.433 454 E N -1.458 118.471 120.200 -0.452 0.000 2.204 454 E HA -0.241 4.110 4.350 0.001 0.000 0.194 454 E C 2.381 178.441 176.600 -0.900 0.000 0.989 454 E CA 1.144 57.174 56.400 -0.616 0.000 0.824 454 E CB -0.181 29.100 29.700 -0.699 0.000 0.756 454 E HN 0.555 nan 8.360 nan 0.000 0.477 455 C N -0.188 118.654 119.300 -0.764 0.000 2.466 455 C HA -0.065 4.396 4.460 0.001 0.000 0.278 455 C C 2.198 177.108 174.990 -0.132 0.000 1.288 455 C CA 0.418 59.089 59.018 -0.578 0.000 1.722 455 C CB -1.284 26.236 27.740 -0.366 0.000 2.017 455 C HN 0.500 nan 8.230 nan 0.000 0.488 456 F N 1.862 121.738 119.950 -0.123 0.000 2.146 456 F HA 0.136 4.663 4.527 0.001 0.000 0.298 456 F C 2.681 178.610 175.800 0.215 0.000 1.096 456 F CA 1.188 59.297 58.000 0.182 0.000 1.275 456 F CB -1.792 37.300 39.000 0.153 0.000 1.008 456 F HN 0.333 nan 8.300 nan 0.000 0.480 457 G N -0.108 108.804 108.800 0.187 0.000 2.503 457 G HA2 -0.328 3.632 3.960 0.001 0.000 0.221 457 G HA3 -0.328 3.632 3.960 0.001 0.000 0.221 457 G C 1.818 176.732 174.900 0.024 0.000 1.131 457 G CA 1.586 46.740 45.100 0.090 0.000 0.756 457 G HN 0.471 nan 8.290 nan 0.000 0.572 458 S N 0.092 115.684 115.700 -0.179 0.000 2.402 458 S HA -0.014 4.457 4.470 0.001 0.000 0.229 458 S C 2.044 176.585 174.600 -0.099 0.000 1.021 458 S CA 1.137 59.207 58.200 -0.217 0.000 0.974 458 S CB -0.473 62.477 63.200 -0.416 0.000 0.800 458 S HN 0.211 nan 8.310 nan 0.000 0.484 459 F N 2.141 122.219 119.950 0.214 0.000 2.293 459 F HA 0.356 4.883 4.527 0.001 0.000 0.297 459 F C 2.429 178.409 175.800 0.301 0.000 1.089 459 F CA 0.641 58.821 58.000 0.300 0.000 1.377 459 F CB -0.497 38.752 39.000 0.415 0.000 1.051 459 F HN 0.502 nan 8.300 nan 0.000 0.511 460 G N -2.187 106.896 108.800 0.473 0.000 2.617 460 G HA2 -0.216 3.745 3.960 0.001 0.000 0.197 460 G HA3 -0.216 3.745 3.960 0.001 0.000 0.197 460 G C -0.228 174.850 174.900 0.298 0.000 1.017 460 G CA -0.626 44.645 45.100 0.284 0.000 0.713 460 G HN 0.047 nan 8.290 nan 0.000 0.481 461 Y N 4.256 124.695 120.300 0.232 0.000 2.887 461 Y HA 0.264 4.815 4.550 0.001 0.000 0.350 461 Y C 1.274 177.356 175.900 0.304 0.000 1.294 461 Y CA 0.318 58.574 58.100 0.259 0.000 1.622 461 Y CB 0.121 38.817 38.460 0.393 0.000 1.201 461 Y HN 0.502 nan 8.280 nan 0.000 0.546 462 D N 0.945 121.539 120.400 0.324 0.000 2.588 462 D HA 0.086 4.726 4.640 0.001 0.000 0.268 462 D C 0.628 177.094 176.300 0.278 0.000 1.176 462 D CA -0.430 53.723 54.000 0.255 0.000 1.080 462 D CB 0.486 41.376 40.800 0.149 0.000 1.186 462 D HN 0.447 nan 8.370 nan 0.000 0.619 463 D N -0.855 119.660 120.400 0.192 0.000 2.354 463 D HA -0.107 4.533 4.640 0.001 0.000 0.216 463 D C 1.772 178.173 176.300 0.167 0.000 0.970 463 D CA 1.415 55.513 54.000 0.164 0.000 0.905 463 D CB -0.205 40.666 40.800 0.119 0.000 0.903 463 D HN 0.429 nan 8.370 nan 0.000 0.508 464 A N -0.139 122.786 122.820 0.176 0.000 1.930 464 A HA -0.061 4.259 4.320 0.001 0.000 0.217 464 A C 0.959 178.689 177.584 0.243 0.000 1.175 464 A CA 0.389 52.521 52.037 0.159 0.000 0.627 464 A CB -0.874 18.193 19.000 0.110 0.000 0.815 464 A HN 0.480 nan 8.150 nan 0.000 0.443 465 W N 1.932 123.280 121.300 0.080 0.000 2.251 465 W HA 0.239 4.900 4.660 0.001 0.000 0.327 465 W C 1.303 177.883 176.519 0.102 0.000 1.361 465 W CA -0.674 56.730 57.345 0.099 0.000 1.234 465 W CB 0.617 30.176 29.460 0.165 0.000 1.212 465 W HN 0.349 nan 8.180 nan 0.000 0.557 466 K N 3.387 123.963 120.400 0.294 0.000 2.009 466 K HA -0.216 4.105 4.320 0.001 0.000 0.210 466 K C 1.581 178.042 176.600 -0.233 0.000 1.049 466 K CA 2.305 58.609 56.287 0.028 0.000 0.929 466 K CB -0.310 32.242 32.500 0.088 0.000 0.714 466 K HN 0.406 nan 8.250 nan 0.000 0.440 467 V N 1.859 121.371 119.914 -0.669 0.000 2.278 467 V HA -0.318 3.802 4.120 0.001 0.000 0.251 467 V C 2.364 178.210 176.094 -0.415 0.000 1.062 467 V CA 2.168 64.046 62.300 -0.702 0.000 1.038 467 V CB -0.397 30.638 31.823 -1.312 0.000 0.646 467 V HN 0.368 nan 8.190 nan 0.000 0.447 468 I N -0.670 119.671 120.570 -0.383 0.000 2.202 468 I HA -0.236 3.935 4.170 0.001 0.000 0.242 468 I C 2.749 178.867 176.117 0.002 0.000 1.091 468 I CA 1.787 63.067 61.300 -0.034 0.000 1.368 468 I CB -0.490 37.595 38.000 0.141 0.000 1.058 468 I HN 0.242 nan 8.210 nan 0.000 0.410 469 R N 1.470 121.968 120.500 -0.003 0.000 2.091 469 R HA -0.186 4.155 4.340 0.001 0.000 0.238 469 R C 2.468 178.763 176.300 -0.009 0.000 1.136 469 R CA 1.585 57.695 56.100 0.016 0.000 0.959 469 R CB -0.136 30.180 30.300 0.026 0.000 0.856 469 R HN 0.298 nan 8.270 nan 0.000 0.437 470 R N -0.152 120.314 120.500 -0.057 0.000 2.105 470 R HA -0.109 4.232 4.340 0.001 0.000 0.239 470 R C 2.320 178.588 176.300 -0.053 0.000 1.135 470 R CA 1.380 57.435 56.100 -0.074 0.000 0.967 470 R CB -0.342 29.872 30.300 -0.142 0.000 0.861 470 R HN 0.282 nan 8.270 nan 0.000 0.442 471 A N 0.801 123.589 122.820 -0.053 0.000 1.872 471 A HA -0.061 4.260 4.320 0.001 0.000 0.214 471 A C 2.387 180.038 177.584 0.113 0.000 1.187 471 A CA 1.030 53.082 52.037 0.024 0.000 0.614 471 A CB -0.484 18.571 19.000 0.091 0.000 0.826 471 A HN 0.093 nan 8.150 nan 0.000 0.442 472 V N 0.516 120.472 119.914 0.070 0.000 2.392 472 V HA -0.229 3.892 4.120 0.001 0.000 0.249 472 V C 2.575 178.704 176.094 0.059 0.000 1.059 472 V CA 2.148 64.487 62.300 0.065 0.000 1.051 472 V CB -0.719 31.145 31.823 0.068 0.000 0.658 472 V HN 0.503 nan 8.190 nan 0.000 0.455 473 E N -0.582 119.646 120.200 0.048 0.000 2.077 473 E HA -0.246 4.105 4.350 0.001 0.000 0.193 473 E C 2.043 178.682 176.600 0.064 0.000 0.989 473 E CA 1.673 58.091 56.400 0.030 0.000 0.800 473 E CB -0.430 29.282 29.700 0.019 0.000 0.746 473 E HN 0.781 nan 8.360 nan 0.000 0.452 474 Y N 1.517 121.801 120.300 -0.026 0.000 2.128 474 Y HA -0.205 4.345 4.550 0.001 0.000 0.284 474 Y C 2.195 178.121 175.900 0.044 0.000 1.154 474 Y CA 1.495 59.586 58.100 -0.015 0.000 1.149 474 Y CB -0.570 37.856 38.460 -0.056 0.000 0.976 474 Y HN -0.063 nan 8.280 nan 0.000 0.505 475 L N 0.134 121.261 121.223 -0.160 0.000 2.017 475 L HA -0.245 4.095 4.340 0.001 0.000 0.208 475 L C 2.561 179.523 176.870 0.153 0.000 1.073 475 L CA 1.845 56.592 54.840 -0.155 0.000 0.745 475 L CB -0.620 41.344 42.059 -0.157 0.000 0.894 475 L HN 0.134 nan 8.230 nan 0.000 0.432 476 K N -0.027 120.448 120.400 0.126 0.000 2.044 476 K HA -0.193 4.128 4.320 0.001 0.000 0.210 476 K C 2.230 178.840 176.600 0.017 0.000 1.049 476 K CA 1.521 57.868 56.287 0.099 0.000 0.927 476 K CB -0.182 32.262 32.500 -0.094 0.000 0.713 476 K HN 0.293 nan 8.250 nan 0.000 0.443 477 R N 0.589 121.070 120.500 -0.032 0.000 2.115 477 R HA -0.082 4.259 4.340 0.001 0.000 0.230 477 R C 1.733 177.991 176.300 -0.070 0.000 1.111 477 R CA 0.842 56.912 56.100 -0.050 0.000 0.976 477 R CB -0.031 30.252 30.300 -0.028 0.000 0.870 477 R HN 0.198 nan 8.270 nan 0.000 0.445 478 E N 0.967 121.104 120.200 -0.104 0.000 2.442 478 E HA -0.048 4.303 4.350 0.001 0.000 0.195 478 E C 0.467 177.044 176.600 -0.039 0.000 1.030 478 E CA 0.103 56.445 56.400 -0.097 0.000 0.869 478 E CB 0.077 29.617 29.700 -0.267 0.000 0.857 478 E HN 0.352 nan 8.360 nan 0.000 0.505 479 Q N 1.665 121.425 119.800 -0.065 0.000 2.349 479 Q HA -0.046 4.295 4.340 0.001 0.000 0.287 479 Q C -0.209 175.544 176.000 -0.413 0.000 1.044 479 Q CA 0.224 55.698 55.803 -0.547 0.000 0.918 479 Q CB 0.628 28.980 28.738 -0.644 0.000 1.242 479 Q HN -0.295 nan 8.270 nan 0.000 0.405 480 K N 4.114 124.213 120.400 -0.502 0.000 2.126 480 K HA 0.158 4.479 4.320 0.001 0.000 0.257 480 K C -1.852 174.558 176.600 -0.317 0.000 1.007 480 K CA -1.992 54.098 56.287 -0.328 0.000 0.928 480 K CB 0.343 32.655 32.500 -0.312 0.000 1.013 480 K HN 0.496 nan 8.250 nan 0.000 0.473 481 P HA -0.208 nan 4.420 nan 0.000 0.216 481 P C 0.447 177.654 177.300 -0.156 0.000 1.154 481 P CA 1.525 64.533 63.100 -0.154 0.000 0.865 481 P CB 0.139 31.776 31.700 -0.105 0.000 0.789 482 D N -2.031 118.258 120.400 -0.185 0.000 2.352 482 D HA 0.028 4.669 4.640 0.001 0.000 0.232 482 D C 1.264 177.428 176.300 -0.227 0.000 1.055 482 D CA 0.816 54.746 54.000 -0.116 0.000 0.891 482 D CB -0.829 39.965 40.800 -0.011 0.000 0.897 482 D HN 0.268 nan 8.370 nan 0.000 0.529 483 G N 0.736 109.313 108.800 -0.371 0.000 2.159 483 G HA2 -0.295 3.666 3.960 0.001 0.000 0.256 483 G HA3 -0.295 3.666 3.960 0.001 0.000 0.256 483 G C 0.353 174.785 174.900 -0.780 0.000 0.977 483 G CA 0.508 45.320 45.100 -0.481 0.000 0.652 483 G HN 0.755 nan 8.290 nan 0.000 0.531 484 S N -0.912 114.215 115.700 -0.955 0.000 2.713 484 S HA 0.792 5.262 4.470 0.001 0.000 0.283 484 S C -0.310 173.867 174.600 -0.705 0.000 1.161 484 S CA -0.838 56.732 58.200 -1.050 0.000 0.999 484 S CB 1.860 64.052 63.200 -1.681 0.000 1.039 484 S HN 0.470 nan 8.310 nan 0.000 0.548 485 W N 1.286 122.439 121.300 -0.244 0.000 2.600 485 W HA 0.403 5.063 4.660 0.001 0.000 0.325 485 W C -0.511 176.015 176.519 0.013 0.000 1.034 485 W CA -1.645 55.646 57.345 -0.089 0.000 1.226 485 W CB 1.460 30.820 29.460 -0.166 0.000 1.379 485 W HN 0.753 nan 8.180 nan 0.000 0.466 486 F N 2.438 122.455 119.950 0.112 0.000 2.628 486 F HA 0.329 4.856 4.527 0.001 0.000 0.362 486 F C 0.714 176.419 175.800 -0.158 0.000 1.148 486 F CA 0.678 58.572 58.000 -0.176 0.000 1.352 486 F CB 0.587 39.551 39.000 -0.060 0.000 1.081 486 F HN 0.261 nan 8.300 nan 0.000 0.605 487 G N 5.316 113.451 108.800 -1.108 0.000 2.437 487 G HA2 0.433 4.394 3.960 0.001 0.000 0.315 487 G HA3 0.433 4.394 3.960 0.001 0.000 0.315 487 G C 0.027 174.389 174.900 -0.896 0.000 1.210 487 G CA -0.657 44.044 45.100 -0.666 0.000 0.943 487 G HN 0.775 nan 8.290 nan 0.000 0.471 488 R N 2.321 122.527 120.500 -0.490 0.000 2.048 488 R HA 0.123 4.463 4.340 0.001 0.000 0.221 488 R C 0.979 176.990 176.300 -0.481 0.000 1.174 488 R CA 0.912 56.737 56.100 -0.458 0.000 0.971 488 R CB -0.305 29.851 30.300 -0.241 0.000 0.863 488 R HN 0.607 nan 8.270 nan 0.000 0.439 489 W N 0.347 121.633 121.300 -0.023 0.000 3.388 489 W HA 0.499 5.159 4.660 0.001 0.000 0.324 489 W C 0.151 176.559 176.519 -0.185 0.000 1.250 489 W CA 0.278 57.578 57.345 -0.075 0.000 1.809 489 W CB 0.478 29.900 29.460 -0.064 0.000 1.083 489 W HN 0.240 nan 8.180 nan 0.000 0.685 490 G N -0.553 108.150 108.800 -0.162 0.000 2.718 490 G HA2 0.457 4.417 3.960 0.001 0.000 0.295 490 G HA3 0.457 4.417 3.960 0.001 0.000 0.295 490 G C -1.679 173.108 174.900 -0.189 0.000 1.421 490 G CA -0.818 43.859 45.100 -0.706 0.000 0.902 490 G HN -0.256 nan 8.290 nan 0.000 0.501 491 V N 2.563 122.475 119.914 -0.003 0.000 2.353 491 V HA 0.384 4.505 4.120 0.001 0.000 0.264 491 V C 0.358 176.558 176.094 0.177 0.000 1.049 491 V CA -0.308 62.098 62.300 0.177 0.000 0.896 491 V CB 0.584 32.557 31.823 0.250 0.000 1.025 491 V HN 0.857 nan 8.190 nan 0.000 0.475 492 N N 3.391 122.130 118.700 0.065 0.000 2.820 492 N HA 0.048 4.788 4.740 0.001 0.000 0.279 492 N C 1.104 176.450 175.510 -0.272 0.000 1.415 492 N CA 0.043 52.955 53.050 -0.231 0.000 1.471 492 N CB -0.025 38.143 38.487 -0.532 0.000 0.822 492 N HN 0.284 nan 8.380 nan 0.000 1.151 493 Y N 2.170 122.432 120.300 -0.063 0.000 2.314 493 Y HA 0.253 4.804 4.550 0.001 0.000 0.293 493 Y C 2.333 178.189 175.900 -0.074 0.000 1.129 493 Y CA 0.865 58.895 58.100 -0.116 0.000 1.201 493 Y CB -0.167 38.192 38.460 -0.168 0.000 0.999 493 Y HN 0.165 nan 8.280 nan 0.000 0.541 494 L N -1.781 119.597 121.223 0.258 0.000 2.072 494 L HA -0.231 4.110 4.340 0.001 0.000 0.205 494 L C 2.268 179.180 176.870 0.071 0.000 1.079 494 L CA 1.333 56.318 54.840 0.242 0.000 0.752 494 L CB -0.681 41.564 42.059 0.311 0.000 0.906 494 L HN 0.224 nan 8.230 nan 0.000 0.436 495 Y N 0.917 121.110 120.300 -0.178 0.000 2.145 495 Y HA -0.169 4.382 4.550 0.001 0.000 0.286 495 Y C 2.231 177.803 175.900 -0.546 0.000 1.145 495 Y CA 1.492 59.142 58.100 -0.750 0.000 1.148 495 Y CB -0.715 37.188 38.460 -0.928 0.000 0.981 495 Y HN 0.039 nan 8.280 nan 0.000 0.507 496 G N -1.307 107.204 108.800 -0.482 0.000 2.404 496 G HA2 -0.198 3.763 3.960 0.001 0.000 0.214 496 G HA3 -0.198 3.763 3.960 0.001 0.000 0.214 496 G C 1.666 176.408 174.900 -0.262 0.000 1.189 496 G CA 1.258 46.091 45.100 -0.446 0.000 0.789 496 G HN 0.404 nan 8.290 nan 0.000 0.533 497 T N 1.139 115.648 114.554 -0.075 0.000 2.720 497 T HA -0.092 4.259 4.350 0.001 0.000 0.268 497 T C 2.458 177.121 174.700 -0.062 0.000 1.037 497 T CA 1.605 63.745 62.100 0.067 0.000 1.144 497 T CB -0.606 68.261 68.868 -0.002 0.000 0.864 497 T HN 0.356 nan 8.240 nan 0.000 0.444 498 G N 1.023 109.733 108.800 -0.150 0.000 2.418 498 G HA2 -0.038 3.923 3.960 0.001 0.000 0.217 498 G HA3 -0.038 3.923 3.960 0.001 0.000 0.217 498 G C 1.833 176.590 174.900 -0.239 0.000 1.158 498 G CA 0.943 45.944 45.100 -0.164 0.000 0.771 498 G HN 0.587 nan 8.290 nan 0.000 0.545 499 A N 0.191 122.769 122.820 -0.403 0.000 1.851 499 A HA 0.025 4.345 4.320 0.001 0.000 0.216 499 A C 2.631 179.989 177.584 -0.377 0.000 1.195 499 A CA 2.072 53.860 52.037 -0.415 0.000 0.622 499 A CB -0.891 17.700 19.000 -0.682 0.000 0.831 499 A HN 0.264 nan 8.150 nan 0.000 0.444 500 V N -0.233 119.383 119.914 -0.496 0.000 2.214 500 V HA -0.282 3.838 4.120 0.001 0.000 0.245 500 V C 2.599 178.412 176.094 -0.468 0.000 1.047 500 V CA 2.206 64.109 62.300 -0.662 0.000 0.998 500 V CB -1.109 29.891 31.823 -1.370 0.000 0.633 500 V HN 0.382 nan 8.190 nan 0.000 0.446 501 V N -0.015 119.694 119.914 -0.342 0.000 2.278 501 V HA -0.334 3.786 4.120 0.001 0.000 0.251 501 V C 2.707 178.712 176.094 -0.150 0.000 1.062 501 V CA 2.582 64.773 62.300 -0.180 0.000 1.038 501 V CB -1.079 30.707 31.823 -0.062 0.000 0.646 501 V HN 0.648 nan 8.190 nan 0.000 0.447 502 S N -0.261 115.356 115.700 -0.138 0.000 2.365 502 S HA -0.245 4.226 4.470 0.001 0.000 0.225 502 S C 2.080 176.605 174.600 -0.124 0.000 1.039 502 S CA 1.956 60.099 58.200 -0.095 0.000 1.033 502 S CB -0.397 62.767 63.200 -0.060 0.000 0.887 502 S HN 0.661 nan 8.310 nan 0.000 0.447 503 A N 1.677 124.389 122.820 -0.180 0.000 1.835 503 A HA 0.057 4.378 4.320 0.001 0.000 0.215 503 A C 2.269 179.760 177.584 -0.154 0.000 1.199 503 A CA 1.593 53.510 52.037 -0.201 0.000 0.615 503 A CB -1.147 17.707 19.000 -0.242 0.000 0.838 503 A HN 0.570 nan 8.150 nan 0.000 0.444 504 L N -0.469 120.657 121.223 -0.162 0.000 2.051 504 L HA -0.277 4.064 4.340 0.001 0.000 0.214 504 L C 2.713 179.550 176.870 -0.056 0.000 1.076 504 L CA 1.871 56.653 54.840 -0.097 0.000 0.758 504 L CB -0.528 41.462 42.059 -0.115 0.000 0.890 504 L HN 0.357 nan 8.230 nan 0.000 0.433 505 K N 0.541 120.900 120.400 -0.069 0.000 2.057 505 K HA -0.166 4.154 4.320 0.001 0.000 0.207 505 K C 2.043 178.627 176.600 -0.027 0.000 1.049 505 K CA 1.801 58.064 56.287 -0.039 0.000 0.931 505 K CB -0.208 32.269 32.500 -0.039 0.000 0.714 505 K HN 0.313 nan 8.250 nan 0.000 0.440 506 A N 0.702 123.490 122.820 -0.053 0.000 1.968 506 A HA -0.080 4.240 4.320 0.001 0.000 0.217 506 A C 2.016 179.596 177.584 -0.007 0.000 1.169 506 A CA 1.502 53.508 52.037 -0.052 0.000 0.638 506 A CB -0.475 18.446 19.000 -0.132 0.000 0.812 506 A HN 0.205 nan 8.150 nan 0.000 0.446 507 V N -3.497 116.421 119.914 0.007 0.000 3.510 507 V HA 0.457 4.578 4.120 0.001 0.000 0.270 507 V C 1.432 177.581 176.094 0.092 0.000 1.201 507 V CA 0.987 63.334 62.300 0.079 0.000 1.166 507 V CB -0.898 30.977 31.823 0.087 0.000 0.825 507 V HN 1.347 nan 8.190 nan 0.000 0.484 508 G N 0.066 108.902 108.800 0.060 0.000 2.254 508 G HA2 -0.217 3.743 3.960 0.001 0.000 0.225 508 G HA3 -0.217 3.743 3.960 0.001 0.000 0.225 508 G C 0.059 174.994 174.900 0.058 0.000 1.003 508 G CA -0.055 45.083 45.100 0.062 0.000 0.622 508 G HN 0.420 nan 8.290 nan 0.000 0.507 509 I N 1.901 122.508 120.570 0.062 0.000 3.185 509 I HA 0.080 4.250 4.170 0.001 0.000 0.300 509 I C 0.734 176.884 176.117 0.054 0.000 1.245 509 I CA 0.118 61.463 61.300 0.075 0.000 1.413 509 I CB 0.023 38.076 38.000 0.088 0.000 1.324 509 I HN 0.324 nan 8.210 nan 0.000 0.588 510 D N 2.336 122.777 120.400 0.069 0.000 2.317 510 D HA 0.127 4.767 4.640 0.001 0.000 0.252 510 D C 1.205 177.515 176.300 0.017 0.000 1.174 510 D CA -0.164 53.865 54.000 0.048 0.000 0.866 510 D CB 0.891 41.729 40.800 0.064 0.000 1.127 510 D HN 0.659 nan 8.370 nan 0.000 0.467 511 T N 1.195 115.749 114.554 -0.001 0.000 3.072 511 T HA -0.107 4.243 4.350 0.001 0.000 0.266 511 T C 1.671 176.357 174.700 -0.023 0.000 1.127 511 T CA 0.426 62.510 62.100 -0.028 0.000 1.107 511 T CB -0.036 68.824 68.868 -0.014 0.000 0.910 511 T HN 0.379 nan 8.240 nan 0.000 0.513 512 R N 0.761 121.263 120.500 0.003 0.000 2.276 512 R HA 0.086 4.427 4.340 0.001 0.000 0.196 512 R C 0.214 176.529 176.300 0.025 0.000 0.961 512 R CA -0.038 56.071 56.100 0.015 0.000 1.024 512 R CB 0.079 30.396 30.300 0.028 0.000 0.940 512 R HN 0.370 nan 8.270 nan 0.000 0.480 513 E N 0.906 121.127 120.200 0.035 0.000 2.521 513 E HA -0.114 4.236 4.350 0.001 0.000 0.270 513 E C -1.873 174.777 176.600 0.085 0.000 1.082 513 E CA -0.789 55.674 56.400 0.104 0.000 0.997 513 E CB 0.367 30.197 29.700 0.217 0.000 0.990 513 E HN 0.124 nan 8.360 nan 0.000 0.458 514 P HA -0.162 nan 4.420 nan 0.000 0.213 514 P C 1.409 178.796 177.300 0.144 0.000 1.170 514 P CA 1.550 64.730 63.100 0.133 0.000 0.893 514 P CB -0.231 31.548 31.700 0.133 0.000 0.784 515 Y N -1.011 119.300 120.300 0.019 0.000 2.315 515 Y HA -0.150 4.401 4.550 0.001 0.000 0.288 515 Y C 1.812 177.735 175.900 0.040 0.000 1.154 515 Y CA 0.629 58.731 58.100 0.004 0.000 1.229 515 Y CB -1.899 36.571 38.460 0.017 0.000 0.980 515 Y HN -0.117 nan 8.280 nan 0.000 0.540 516 I N 0.659 120.915 120.570 -0.523 0.000 2.141 516 I HA -0.217 3.953 4.170 0.001 0.000 0.236 516 I C 2.441 178.485 176.117 -0.122 0.000 1.071 516 I CA 1.242 62.304 61.300 -0.397 0.000 1.345 516 I CB -1.417 36.351 38.000 -0.387 0.000 1.066 516 I HN 0.281 nan 8.210 nan 0.000 0.406 517 Q N 0.885 120.644 119.800 -0.068 0.000 2.112 517 Q HA -0.266 4.074 4.340 0.001 0.000 0.206 517 Q C 2.179 178.190 176.000 0.019 0.000 0.987 517 Q CA 1.549 57.349 55.803 -0.005 0.000 0.858 517 Q CB -0.619 28.127 28.738 0.014 0.000 0.905 517 Q HN 0.488 nan 8.270 nan 0.000 0.420 518 K N 0.036 120.443 120.400 0.011 0.000 2.281 518 K HA -0.118 4.202 4.320 0.001 0.000 0.203 518 K C 1.794 178.411 176.600 0.028 0.000 1.046 518 K CA 1.039 57.339 56.287 0.021 0.000 0.938 518 K CB 0.048 32.548 32.500 0.001 0.000 0.737 518 K HN 0.181 nan 8.250 nan 0.000 0.458 519 A N 0.364 123.184 122.820 -0.001 0.000 1.878 519 A HA -0.008 4.312 4.320 0.001 0.000 0.213 519 A C 1.848 179.522 177.584 0.150 0.000 1.192 519 A CA 0.550 52.599 52.037 0.021 0.000 0.619 519 A CB -0.299 18.713 19.000 0.020 0.000 0.837 519 A HN 0.197 nan 8.150 nan 0.000 0.446 520 L N 0.567 121.851 121.223 0.102 0.000 2.079 520 L HA -0.194 4.146 4.340 0.001 0.000 0.210 520 L C 1.899 178.856 176.870 0.145 0.000 1.081 520 L CA 1.839 56.744 54.840 0.109 0.000 0.752 520 L CB -0.640 41.458 42.059 0.064 0.000 0.896 520 L HN 0.334 nan 8.230 nan 0.000 0.433 521 D N -1.561 118.922 120.400 0.138 0.000 2.144 521 D HA -0.249 4.391 4.640 0.001 0.000 0.199 521 D C 1.947 178.357 176.300 0.183 0.000 0.984 521 D CA 1.073 55.154 54.000 0.134 0.000 0.834 521 D CB -0.223 40.640 40.800 0.104 0.000 0.955 521 D HN 0.481 nan 8.370 nan 0.000 0.465 522 W N 1.687 123.014 121.300 0.046 0.000 2.342 522 W HA -0.219 4.441 4.660 0.001 0.000 0.297 522 W C 2.038 178.639 176.519 0.137 0.000 1.213 522 W CA 1.154 58.540 57.345 0.068 0.000 1.251 522 W CB -0.160 29.269 29.460 -0.051 0.000 1.136 522 W HN -0.250 nan 8.180 nan 0.000 0.526 523 V N 0.851 120.949 119.914 0.306 0.000 2.244 523 V HA -0.296 3.824 4.120 0.001 0.000 0.244 523 V C 2.129 178.408 176.094 0.308 0.000 1.042 523 V CA 2.382 64.785 62.300 0.171 0.000 1.006 523 V CB -1.079 30.785 31.823 0.070 0.000 0.641 523 V HN 0.149 nan 8.190 nan 0.000 0.446 524 E N -0.184 120.184 120.200 0.281 0.000 2.171 524 E HA -0.306 4.045 4.350 0.001 0.000 0.197 524 E C 2.278 178.970 176.600 0.153 0.000 0.997 524 E CA 1.401 57.980 56.400 0.298 0.000 0.810 524 E CB -0.182 29.621 29.700 0.172 0.000 0.738 524 E HN 0.666 nan 8.360 nan 0.000 0.467 525 Q N -0.212 119.632 119.800 0.073 0.000 2.119 525 Q HA -0.132 4.209 4.340 0.001 0.000 0.201 525 Q C 0.997 176.881 176.000 -0.194 0.000 0.972 525 Q CA 1.032 56.791 55.803 -0.073 0.000 0.847 525 Q CB 0.020 28.686 28.738 -0.119 0.000 0.903 525 Q HN 0.431 nan 8.270 nan 0.000 0.433 526 H N -0.352 118.572 119.070 -0.243 0.000 2.567 526 H HA 0.154 4.711 4.556 0.001 0.000 0.294 526 H C -0.316 174.915 175.328 -0.162 0.000 1.050 526 H CA -0.068 55.846 56.048 -0.223 0.000 1.168 526 H CB -0.093 29.434 29.762 -0.390 0.000 1.422 526 H HN 0.148 nan 8.280 nan 0.000 0.562 527 Q N 1.624 121.282 119.800 -0.237 0.000 2.293 527 Q HA 0.043 4.384 4.340 0.001 0.000 0.263 527 Q C -0.224 175.446 176.000 -0.550 0.000 1.002 527 Q CA -0.559 54.705 55.803 -0.899 0.000 0.910 527 Q CB 0.535 28.709 28.738 -0.940 0.000 1.185 527 Q HN 0.371 nan 8.270 nan 0.000 0.401 528 N N 4.439 122.824 118.700 -0.526 0.000 2.371 528 N HA 0.023 4.763 4.740 0.001 0.000 0.243 528 N C -1.866 173.492 175.510 -0.253 0.000 1.287 528 N CA -1.026 51.846 53.050 -0.295 0.000 0.911 528 N CB 0.372 38.731 38.487 -0.212 0.000 1.142 528 N HN 0.507 nan 8.380 nan 0.000 0.451 529 P HA -0.142 nan 4.420 nan 0.000 0.215 529 P C 0.274 177.526 177.300 -0.081 0.000 1.157 529 P CA 1.420 64.454 63.100 -0.109 0.000 0.868 529 P CB -0.001 31.657 31.700 -0.070 0.000 0.788 530 D N -1.896 118.482 120.400 -0.037 0.000 2.403 530 D HA -0.005 4.635 4.640 0.001 0.000 0.227 530 D C 1.436 177.784 176.300 0.081 0.000 0.995 530 D CA 1.084 55.115 54.000 0.052 0.000 0.928 530 D CB -1.095 39.799 40.800 0.156 0.000 0.887 530 D HN 0.288 nan 8.370 nan 0.000 0.529 531 G N -1.299 107.446 108.800 -0.092 0.000 2.253 531 G HA2 -0.207 3.754 3.960 0.001 0.000 0.251 531 G HA3 -0.207 3.754 3.960 0.001 0.000 0.251 531 G C 0.676 175.350 174.900 -0.377 0.000 0.998 531 G CA 0.120 45.115 45.100 -0.174 0.000 0.621 531 G HN 0.852 nan 8.290 nan 0.000 0.524 532 G N -1.620 106.928 108.800 -0.419 0.000 2.532 532 G HA2 0.507 4.468 3.960 0.001 0.000 0.291 532 G HA3 0.507 4.468 3.960 0.001 0.000 0.291 532 G C -0.443 174.063 174.900 -0.657 0.000 1.349 532 G CA -0.490 44.145 45.100 -0.774 0.000 1.038 532 G HN 0.263 nan 8.290 nan 0.000 0.518 533 W N -0.980 120.084 121.300 -0.394 0.000 2.736 533 W HA 0.609 5.270 4.660 0.001 0.000 0.335 533 W C -0.023 176.387 176.519 -0.182 0.000 1.059 533 W CA -0.637 56.583 57.345 -0.209 0.000 1.226 533 W CB 2.268 31.648 29.460 -0.134 0.000 1.416 533 W HN 0.793 nan 8.180 nan 0.000 0.505 534 G N 1.346 110.221 108.800 0.125 0.000 2.659 534 G HA2 0.540 4.500 3.960 0.001 0.000 0.296 534 G HA3 0.540 4.500 3.960 0.001 0.000 0.296 534 G C -1.886 173.081 174.900 0.111 0.000 1.369 534 G CA -0.562 44.572 45.100 0.056 0.000 0.937 534 G HN 0.331 nan 8.290 nan 0.000 0.485 535 E N 1.190 121.439 120.200 0.083 0.000 2.448 535 E HA 0.236 4.586 4.350 0.001 0.000 0.288 535 E C -1.481 175.132 176.600 0.022 0.000 0.936 535 E CA -0.605 55.865 56.400 0.117 0.000 0.809 535 E CB 1.542 31.359 29.700 0.196 0.000 1.408 535 E HN 0.454 nan 8.360 nan 0.000 0.393 536 D N 2.153 122.529 120.400 -0.039 0.000 2.382 536 D HA 0.015 4.656 4.640 0.001 0.000 0.240 536 D C 0.703 176.888 176.300 -0.191 0.000 1.146 536 D CA -0.146 53.752 54.000 -0.170 0.000 0.897 536 D CB 0.929 41.532 40.800 -0.330 0.000 1.197 536 D HN 0.503 nan 8.370 nan 0.000 0.432 537 C N 2.123 121.231 119.300 -0.321 0.000 2.422 537 C HA -0.040 4.421 4.460 0.001 0.000 0.286 537 C C 2.257 177.055 174.990 -0.321 0.000 1.412 537 C CA 0.236 58.922 59.018 -0.553 0.000 1.786 537 C CB -1.143 25.595 27.740 -1.670 0.000 1.835 537 C HN 0.630 nan 8.230 nan 0.000 0.533 538 R N 1.451 121.805 120.500 -0.244 0.000 2.293 538 R HA -0.100 4.241 4.340 0.001 0.000 0.219 538 R C 2.157 178.517 176.300 0.099 0.000 1.091 538 R CA 1.464 57.516 56.100 -0.081 0.000 1.004 538 R CB -0.297 29.771 30.300 -0.386 0.000 0.865 538 R HN 0.728 nan 8.270 nan 0.000 0.469 539 S N -0.519 115.211 115.700 0.050 0.000 2.537 539 S HA -0.140 4.330 4.470 0.001 0.000 0.240 539 S C 1.238 175.859 174.600 0.036 0.000 0.981 539 S CA 0.774 59.040 58.200 0.111 0.000 0.948 539 S CB -0.231 63.004 63.200 0.059 0.000 0.759 539 S HN 0.341 nan 8.310 nan 0.000 0.531 540 Y N 1.375 121.797 120.300 0.203 0.000 2.436 540 Y HA 0.279 4.829 4.550 0.001 0.000 0.288 540 Y C 2.613 178.635 175.900 0.204 0.000 1.112 540 Y CA 0.436 58.676 58.100 0.232 0.000 1.220 540 Y CB 0.002 38.613 38.460 0.251 0.000 1.073 540 Y HN 0.223 nan 8.280 nan 0.000 0.552 541 E N 0.160 120.556 120.200 0.327 0.000 2.024 541 E HA -0.071 4.279 4.350 0.001 0.000 0.190 541 E C -0.012 176.719 176.600 0.218 0.000 0.974 541 E CA 0.923 57.475 56.400 0.253 0.000 0.810 541 E CB -0.285 29.559 29.700 0.241 0.000 0.775 541 E HN 0.280 nan 8.360 nan 0.000 0.453 542 D N 0.973 121.518 120.400 0.243 0.000 2.344 542 D HA 0.092 4.733 4.640 0.001 0.000 0.239 542 D C -1.956 174.477 176.300 0.222 0.000 1.064 542 D CA -2.272 51.859 54.000 0.219 0.000 0.829 542 D CB 1.816 42.760 40.800 0.239 0.000 1.129 542 D HN -0.215 nan 8.370 nan 0.000 0.506 543 P HA -0.076 nan 4.420 nan 0.000 0.236 543 P C 0.779 178.137 177.300 0.096 0.000 1.172 543 P CA 0.411 63.594 63.100 0.137 0.000 0.759 543 P CB 0.231 31.983 31.700 0.088 0.000 0.843 544 A N -0.948 121.902 122.820 0.050 0.000 2.016 544 A HA -0.104 4.217 4.320 0.001 0.000 0.217 544 A C 1.391 178.913 177.584 -0.105 0.000 1.162 544 A CA 0.720 52.712 52.037 -0.074 0.000 0.662 544 A CB -1.281 17.604 19.000 -0.193 0.000 0.812 544 A HN 0.107 nan 8.150 nan 0.000 0.450 545 Y N 0.168 120.524 120.300 0.094 0.000 2.537 545 Y HA 0.446 4.996 4.550 0.001 0.000 0.303 545 Y C 1.214 177.204 175.900 0.151 0.000 1.176 545 Y CA -0.438 57.722 58.100 0.100 0.000 1.273 545 Y CB -0.488 38.020 38.460 0.081 0.000 1.110 545 Y HN 0.279 nan 8.280 nan 0.000 0.518 546 A N 0.198 123.188 122.820 0.284 0.000 2.457 546 A HA 0.474 4.794 4.320 0.001 0.000 0.298 546 A C 1.511 179.317 177.584 0.369 0.000 1.288 546 A CA 0.555 52.780 52.037 0.312 0.000 0.956 546 A CB -0.994 18.067 19.000 0.102 0.000 1.135 546 A HN 0.830 nan 8.150 nan 0.000 0.535 547 G N 2.047 111.089 108.800 0.403 0.000 2.159 547 G HA2 -0.228 3.733 3.960 0.001 0.000 0.256 547 G HA3 -0.228 3.733 3.960 0.001 0.000 0.256 547 G C 0.150 175.233 174.900 0.304 0.000 0.977 547 G CA 0.712 45.995 45.100 0.306 0.000 0.652 547 G HN 0.751 nan 8.290 nan 0.000 0.531 548 K N 0.072 120.644 120.400 0.287 0.000 2.221 548 K HA 0.674 4.995 4.320 0.001 0.000 0.258 548 K C 0.383 177.114 176.600 0.217 0.000 0.944 548 K CA 0.043 56.459 56.287 0.215 0.000 0.823 548 K CB 1.986 34.589 32.500 0.172 0.000 1.113 548 K HN 0.953 nan 8.250 nan 0.000 0.431 549 G N 0.523 109.392 108.800 0.114 0.000 2.336 549 G HA2 0.346 4.307 3.960 0.001 0.000 0.300 549 G HA3 0.346 4.307 3.960 0.001 0.000 0.300 549 G C -1.609 173.256 174.900 -0.059 0.000 1.375 549 G CA -0.673 44.440 45.100 0.021 0.000 0.885 549 G HN 0.629 nan 8.290 nan 0.000 0.599 550 A N 0.159 122.869 122.820 -0.185 0.000 2.498 550 A HA 0.574 4.894 4.320 0.001 0.000 0.239 550 A C 0.993 178.525 177.584 -0.086 0.000 1.068 550 A CA 0.838 52.785 52.037 -0.151 0.000 0.766 550 A CB -0.054 18.761 19.000 -0.309 0.000 1.003 550 A HN 1.608 nan 8.150 nan 0.000 0.497 551 S N 1.284 116.983 115.700 -0.002 0.000 2.510 551 S HA 0.443 4.913 4.470 0.001 0.000 0.279 551 S C 0.660 175.296 174.600 0.060 0.000 1.284 551 S CA 0.250 58.417 58.200 -0.054 0.000 1.059 551 S CB 0.326 63.415 63.200 -0.185 0.000 0.901 551 S HN 1.012 nan 8.310 nan 0.000 0.491 552 T N 1.062 115.604 114.554 -0.020 0.000 2.908 552 T HA 0.496 4.847 4.350 0.001 0.000 0.290 552 T C -2.519 172.131 174.700 -0.083 0.000 1.034 552 T CA -2.315 59.816 62.100 0.052 0.000 1.010 552 T CB 1.648 70.549 68.868 0.054 0.000 1.068 552 T HN 0.084 nan 8.240 nan 0.000 0.481 553 P HA -0.165 nan 4.420 nan 0.000 0.215 553 P C 1.954 179.001 177.300 -0.422 0.000 1.157 553 P CA 1.702 64.654 63.100 -0.247 0.000 0.868 553 P CB -0.025 31.471 31.700 -0.341 0.000 0.788 554 S N -0.416 115.004 115.700 -0.467 0.000 2.338 554 S HA -0.229 4.242 4.470 0.001 0.000 0.218 554 S C 2.071 175.874 174.600 -1.328 0.000 1.032 554 S CA 1.028 58.702 58.200 -0.877 0.000 0.999 554 S CB -1.617 61.070 63.200 -0.854 0.000 0.905 554 S HN 0.165 nan 8.310 nan 0.000 0.439 555 Q N 0.712 119.932 119.800 -0.966 0.000 2.248 555 Q HA -0.094 4.247 4.340 0.001 0.000 0.208 555 Q C 2.272 178.129 176.000 -0.239 0.000 0.984 555 Q CA 1.806 57.306 55.803 -0.504 0.000 0.875 555 Q CB -0.651 28.029 28.738 -0.097 0.000 0.910 555 Q HN 0.659 nan 8.270 nan 0.000 0.433 556 T N 0.678 115.079 114.554 -0.255 0.000 2.732 556 T HA -0.111 4.240 4.350 0.001 0.000 0.261 556 T C 1.959 176.560 174.700 -0.166 0.000 1.040 556 T CA 1.157 63.214 62.100 -0.073 0.000 1.145 556 T CB -0.366 68.394 68.868 -0.181 0.000 0.866 556 T HN 0.415 nan 8.240 nan 0.000 0.427 557 A N 1.251 123.892 122.820 -0.299 0.000 1.958 557 A HA -0.162 4.159 4.320 0.001 0.000 0.221 557 A C 2.158 179.658 177.584 -0.140 0.000 1.178 557 A CA 1.604 53.496 52.037 -0.241 0.000 0.642 557 A CB -0.987 17.840 19.000 -0.289 0.000 0.816 557 A HN 0.591 nan 8.150 nan 0.000 0.453 558 W N -0.748 120.399 121.300 -0.255 0.000 2.380 558 W HA 0.001 4.661 4.660 0.001 0.000 0.317 558 W C 2.863 179.198 176.519 -0.306 0.000 1.196 558 W CA 0.762 57.941 57.345 -0.276 0.000 1.307 558 W CB -1.475 27.820 29.460 -0.276 0.000 1.157 558 W HN 0.425 nan 8.180 nan 0.000 0.483 559 A N -0.113 122.590 122.820 -0.195 0.000 2.076 559 A HA -0.139 4.182 4.320 0.001 0.000 0.220 559 A C 2.024 179.198 177.584 -0.683 0.000 1.160 559 A CA 1.493 53.149 52.037 -0.636 0.000 0.653 559 A CB -0.702 17.406 19.000 -1.487 0.000 0.801 559 A HN 0.214 nan 8.150 nan 0.000 0.455 560 L N -1.111 119.859 121.223 -0.422 0.000 2.162 560 L HA 0.096 4.437 4.340 0.001 0.000 0.205 560 L C 2.404 179.212 176.870 -0.103 0.000 1.086 560 L CA 1.544 56.245 54.840 -0.233 0.000 0.778 560 L CB -0.475 41.519 42.059 -0.109 0.000 0.928 560 L HN 0.403 nan 8.230 nan 0.000 0.446 561 M N -1.474 118.090 119.600 -0.060 0.000 2.319 561 M HA -0.097 4.383 4.480 0.001 0.000 0.265 561 M C 2.190 178.475 176.300 -0.024 0.000 1.068 561 M CA 1.332 56.631 55.300 -0.001 0.000 1.118 561 M CB -0.430 32.201 32.600 0.051 0.000 1.395 561 M HN 0.343 nan 8.290 nan 0.000 0.435 562 A N 0.639 123.418 122.820 -0.069 0.000 1.930 562 A HA -0.092 4.229 4.320 0.001 0.000 0.217 562 A C 2.084 179.644 177.584 -0.041 0.000 1.175 562 A CA 1.273 53.272 52.037 -0.064 0.000 0.627 562 A CB -0.692 18.259 19.000 -0.083 0.000 0.815 562 A HN 0.439 nan 8.150 nan 0.000 0.443 563 L N -0.672 120.518 121.223 -0.054 0.000 2.068 563 L HA -0.081 4.260 4.340 0.001 0.000 0.204 563 L C 2.436 179.326 176.870 0.034 0.000 1.076 563 L CA 1.032 55.872 54.840 -0.001 0.000 0.753 563 L CB -0.528 41.538 42.059 0.012 0.000 0.910 563 L HN 0.335 nan 8.230 nan 0.000 0.439 564 I N 0.270 120.868 120.570 0.045 0.000 2.264 564 I HA -0.315 3.855 4.170 0.001 0.000 0.248 564 I C 2.773 178.914 176.117 0.041 0.000 1.111 564 I CA 1.240 62.584 61.300 0.073 0.000 1.382 564 I CB -0.514 37.543 38.000 0.095 0.000 1.060 564 I HN 0.230 nan 8.210 nan 0.000 0.418 565 A N 0.864 123.696 122.820 0.020 0.000 1.898 565 A HA -0.049 4.271 4.320 0.001 0.000 0.216 565 A C 2.294 179.879 177.584 0.002 0.000 1.181 565 A CA 1.592 53.631 52.037 0.004 0.000 0.620 565 A CB -1.200 17.790 19.000 -0.016 0.000 0.819 565 A HN 0.452 nan 8.150 nan 0.000 0.442 566 G N -1.899 106.903 108.800 0.004 0.000 3.061 566 G HA2 0.347 4.308 3.960 0.001 0.000 0.208 566 G HA3 0.347 4.308 3.960 0.001 0.000 0.208 566 G C 1.206 176.117 174.900 0.018 0.000 1.175 566 G CA 0.619 45.722 45.100 0.004 0.000 0.812 566 G HN 1.619 nan 8.290 nan 0.000 0.523 567 G N 0.409 109.225 108.800 0.026 0.000 2.267 567 G HA2 -0.323 3.637 3.960 0.001 0.000 0.257 567 G HA3 -0.323 3.637 3.960 0.001 0.000 0.257 567 G C 1.141 176.069 174.900 0.047 0.000 0.998 567 G CA 0.320 45.439 45.100 0.032 0.000 0.620 567 G HN 0.564 nan 8.290 nan 0.000 0.529 568 R N 0.872 121.405 120.500 0.055 0.000 2.535 568 R HA 0.471 4.812 4.340 0.001 0.000 0.233 568 R C 2.470 178.833 176.300 0.104 0.000 1.202 568 R CA 0.544 56.688 56.100 0.073 0.000 1.205 568 R CB -0.206 30.138 30.300 0.074 0.000 1.153 568 R HN 0.493 nan 8.270 nan 0.000 0.512 569 A N 1.286 124.171 122.820 0.108 0.000 1.972 569 A HA -0.180 4.141 4.320 0.001 0.000 0.219 569 A C 1.372 179.089 177.584 0.222 0.000 1.169 569 A CA 0.976 53.118 52.037 0.176 0.000 0.635 569 A CB -0.033 19.040 19.000 0.120 0.000 0.810 569 A HN 0.361 nan 8.150 nan 0.000 0.446 570 E N 0.380 120.660 120.200 0.134 0.000 2.201 570 E HA 0.363 4.713 4.350 0.001 0.000 0.272 570 E C -0.318 176.353 176.600 0.118 0.000 1.228 570 E CA -0.224 56.252 56.400 0.127 0.000 1.305 570 E CB -0.084 29.659 29.700 0.071 0.000 1.381 570 E HN 0.385 nan 8.360 nan 0.000 0.475 571 S N 0.888 116.673 115.700 0.142 0.000 2.745 571 S HA 0.224 4.695 4.470 0.001 0.000 0.306 571 S C 0.707 175.374 174.600 0.112 0.000 1.137 571 S CA -0.606 57.662 58.200 0.113 0.000 0.900 571 S CB 1.626 64.892 63.200 0.110 0.000 1.176 571 S HN 0.366 nan 8.310 nan 0.000 0.520 572 E N 1.489 121.740 120.200 0.085 0.000 2.008 572 E HA 0.130 4.481 4.350 0.001 0.000 0.191 572 E C 2.068 178.708 176.600 0.067 0.000 0.986 572 E CA 2.099 58.539 56.400 0.066 0.000 0.807 572 E CB -0.860 28.866 29.700 0.042 0.000 0.766 572 E HN 0.671 nan 8.360 nan 0.000 0.450 573 A N 1.029 123.895 122.820 0.078 0.000 1.948 573 A HA -0.197 4.123 4.320 0.001 0.000 0.220 573 A C 2.412 180.101 177.584 0.174 0.000 1.177 573 A CA 2.606 54.702 52.037 0.099 0.000 0.636 573 A CB -1.172 17.938 19.000 0.184 0.000 0.815 573 A HN 0.393 nan 8.150 nan 0.000 0.449 574 A N -0.421 122.505 122.820 0.177 0.000 1.845 574 A HA -0.177 4.144 4.320 0.001 0.000 0.215 574 A C 2.273 179.884 177.584 0.046 0.000 1.195 574 A CA 1.870 54.000 52.037 0.154 0.000 0.616 574 A CB -0.573 18.532 19.000 0.175 0.000 0.832 574 A HN 0.555 nan 8.150 nan 0.000 0.443 575 R N -1.002 119.548 120.500 0.083 0.000 2.096 575 R HA -0.127 4.214 4.340 0.001 0.000 0.235 575 R C 2.385 178.698 176.300 0.022 0.000 1.127 575 R CA 1.084 57.220 56.100 0.060 0.000 0.968 575 R CB -0.200 30.191 30.300 0.151 0.000 0.861 575 R HN 0.362 nan 8.270 nan 0.000 0.440 576 R N -0.186 120.331 120.500 0.028 0.000 2.097 576 R HA -0.120 4.221 4.340 0.001 0.000 0.236 576 R C 2.276 178.575 176.300 -0.002 0.000 1.135 576 R CA 1.804 57.903 56.100 -0.002 0.000 0.934 576 R CB -1.205 29.063 30.300 -0.052 0.000 0.846 576 R HN 0.453 nan 8.270 nan 0.000 0.431 577 G N 0.546 109.348 108.800 0.004 0.000 2.446 577 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 577 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 577 G C 1.612 176.557 174.900 0.074 0.000 1.168 577 G CA 1.104 46.242 45.100 0.063 0.000 0.771 577 G HN 0.203 nan 8.290 nan 0.000 0.551 578 V N 0.692 120.578 119.914 -0.047 0.000 2.380 578 V HA -0.285 3.835 4.120 0.001 0.000 0.251 578 V C 2.765 178.898 176.094 0.065 0.000 1.063 578 V CA 2.340 64.578 62.300 -0.104 0.000 1.055 578 V CB -0.631 30.953 31.823 -0.398 0.000 0.657 578 V HN 0.415 nan 8.190 nan 0.000 0.455 579 Q N -0.317 119.531 119.800 0.079 0.000 2.061 579 Q HA -0.253 4.087 4.340 0.001 0.000 0.204 579 Q C 2.071 178.155 176.000 0.140 0.000 0.984 579 Q CA 2.252 58.119 55.803 0.106 0.000 0.846 579 Q CB -0.744 28.040 28.738 0.077 0.000 0.902 579 Q HN 0.723 nan 8.270 nan 0.000 0.421 580 Y N 0.327 120.645 120.300 0.030 0.000 2.069 580 Y HA -0.273 4.278 4.550 0.001 0.000 0.278 580 Y C 1.729 177.701 175.900 0.121 0.000 1.175 580 Y CA 2.176 60.303 58.100 0.045 0.000 1.134 580 Y CB -0.417 38.045 38.460 0.003 0.000 0.965 580 Y HN 0.182 nan 8.280 nan 0.000 0.498 581 L N -1.107 120.366 121.223 0.417 0.000 2.079 581 L HA -0.230 4.110 4.340 0.001 0.000 0.210 581 L C 2.306 179.484 176.870 0.514 0.000 1.081 581 L CA 1.182 56.281 54.840 0.431 0.000 0.752 581 L CB -0.827 41.357 42.059 0.208 0.000 0.896 581 L HN 0.170 nan 8.230 nan 0.000 0.433 582 V N -0.233 119.860 119.914 0.298 0.000 2.358 582 V HA -0.216 3.905 4.120 0.001 0.000 0.246 582 V C 2.316 178.465 176.094 0.092 0.000 1.047 582 V CA 1.717 64.143 62.300 0.210 0.000 1.035 582 V CB -0.460 31.462 31.823 0.164 0.000 0.658 582 V HN 0.462 nan 8.190 nan 0.000 0.452 583 E N 0.663 120.886 120.200 0.039 0.000 2.076 583 E HA -0.144 4.207 4.350 0.001 0.000 0.190 583 E C 2.269 178.817 176.600 -0.086 0.000 0.979 583 E CA 1.619 57.994 56.400 -0.041 0.000 0.807 583 E CB -0.333 29.326 29.700 -0.068 0.000 0.761 583 E HN 0.766 nan 8.360 nan 0.000 0.454 584 T N -0.944 113.544 114.554 -0.110 0.000 3.072 584 T HA -0.133 4.218 4.350 0.001 0.000 0.266 584 T C 1.054 175.742 174.700 -0.020 0.000 1.127 584 T CA 0.091 62.133 62.100 -0.098 0.000 1.107 584 T CB -0.015 68.705 68.868 -0.247 0.000 0.910 584 T HN 0.027 nan 8.240 nan 0.000 0.513 585 Q N 1.141 120.870 119.800 -0.119 0.000 2.474 585 Q HA 0.140 4.480 4.340 0.001 0.000 0.256 585 Q C -0.189 175.538 176.000 -0.456 0.000 1.048 585 Q CA -0.283 55.111 55.803 -0.682 0.000 0.922 585 Q CB 0.574 28.865 28.738 -0.745 0.000 1.288 585 Q HN 0.453 nan 8.270 nan 0.000 0.484 586 R N 2.647 122.824 120.500 -0.538 0.000 2.596 586 R HA 0.213 4.553 4.340 0.001 0.000 0.267 586 R C -1.765 174.350 176.300 -0.307 0.000 1.026 586 R CA -1.864 54.034 56.100 -0.337 0.000 1.087 586 R CB 0.328 30.445 30.300 -0.306 0.000 1.132 586 R HN 0.560 nan 8.270 nan 0.000 0.531 587 P HA -0.182 nan 4.420 nan 0.000 0.218 587 P C 0.270 177.465 177.300 -0.175 0.000 1.148 587 P CA 1.379 64.381 63.100 -0.163 0.000 0.822 587 P CB 0.124 31.755 31.700 -0.115 0.000 0.784 588 D N -2.255 118.015 120.400 -0.216 0.000 2.317 588 D HA 0.039 4.679 4.640 0.001 0.000 0.211 588 D C 1.492 177.619 176.300 -0.289 0.000 0.966 588 D CA 1.179 55.055 54.000 -0.207 0.000 0.876 588 D CB -0.813 39.866 40.800 -0.202 0.000 0.927 588 D HN 0.243 nan 8.370 nan 0.000 0.519 589 G N -1.180 107.368 108.800 -0.420 0.000 2.231 589 G HA2 -0.124 3.837 3.960 0.001 0.000 0.206 589 G HA3 -0.124 3.837 3.960 0.001 0.000 0.206 589 G C 0.727 175.207 174.900 -0.700 0.000 0.996 589 G CA 0.048 44.877 45.100 -0.452 0.000 0.645 589 G HN 0.762 nan 8.290 nan 0.000 0.498 590 G N -1.450 106.776 108.800 -0.957 0.000 2.485 590 G HA2 0.485 4.445 3.960 0.001 0.000 0.260 590 G HA3 0.485 4.445 3.960 0.001 0.000 0.260 590 G C -0.277 174.399 174.900 -0.374 0.000 1.459 590 G CA -0.030 44.633 45.100 -0.728 0.000 1.060 590 G HN 0.393 nan 8.290 nan 0.000 0.546 591 W N -1.563 119.821 121.300 0.140 0.000 3.248 591 W HA 0.338 4.999 4.660 0.001 0.000 0.311 591 W C -1.410 175.134 176.519 0.042 0.000 1.258 591 W CA -0.536 56.844 57.345 0.059 0.000 1.191 591 W CB 2.025 31.517 29.460 0.053 0.000 1.389 591 W HN 0.364 nan 8.180 nan 0.000 0.561 592 D N 1.216 121.783 120.400 0.278 0.000 2.228 592 D HA 0.349 4.990 4.640 0.001 0.000 0.247 592 D C -0.925 175.466 176.300 0.151 0.000 0.995 592 D CA -0.191 53.906 54.000 0.162 0.000 0.903 592 D CB 2.337 43.199 40.800 0.103 0.000 1.205 592 D HN 0.311 nan 8.370 nan 0.000 0.459 593 E N 1.594 121.854 120.200 0.100 0.000 2.738 593 E HA 0.133 4.483 4.350 0.001 0.000 0.347 593 E C -2.249 174.385 176.600 0.057 0.000 1.077 593 E CA -1.110 55.356 56.400 0.109 0.000 0.755 593 E CB 1.461 31.226 29.700 0.108 0.000 1.576 593 E HN 0.109 nan 8.360 nan 0.000 0.379 594 P HA 0.025 nan 4.420 nan 0.000 0.252 594 P C -0.686 176.357 177.300 -0.428 0.000 1.265 594 P CA 0.335 63.271 63.100 -0.274 0.000 0.775 594 P CB -0.173 31.271 31.700 -0.425 0.000 1.128 595 Y N -1.281 119.119 120.300 0.167 0.000 2.662 595 Y HA 0.457 5.007 4.550 0.001 0.000 0.335 595 Y C 0.328 176.464 175.900 0.394 0.000 1.066 595 Y CA -1.260 56.961 58.100 0.202 0.000 1.116 595 Y CB 0.578 39.117 38.460 0.132 0.000 1.308 595 Y HN -0.259 nan 8.280 nan 0.000 0.502 596 Y N 0.190 120.661 120.300 0.286 0.000 2.330 596 Y HA 0.321 4.872 4.550 0.001 0.000 0.336 596 Y C 0.909 176.928 175.900 0.200 0.000 1.036 596 Y CA -1.383 56.840 58.100 0.206 0.000 1.125 596 Y CB 1.532 40.093 38.460 0.167 0.000 1.194 596 Y HN 0.634 nan 8.280 nan 0.000 0.469 597 T N -1.565 113.210 114.554 0.369 0.000 3.091 597 T HA 0.411 4.762 4.350 0.001 0.000 0.277 597 T C 0.522 175.469 174.700 0.412 0.000 0.996 597 T CA -0.051 62.277 62.100 0.380 0.000 0.897 597 T CB -0.007 69.071 68.868 0.350 0.000 1.109 597 T HN 0.672 nan 8.240 nan 0.000 0.534 598 G N 0.350 109.370 108.800 0.366 0.000 2.420 598 G HA2 0.581 4.541 3.960 0.001 0.000 0.331 598 G HA3 0.581 4.541 3.960 0.001 0.000 0.331 598 G C -1.113 173.961 174.900 0.289 0.000 1.168 598 G CA -0.549 44.758 45.100 0.345 0.000 0.936 598 G HN 0.191 nan 8.290 nan 0.000 0.479 599 T N 0.323 114.971 114.554 0.157 0.000 2.841 599 T HA 0.570 4.921 4.350 0.001 0.000 0.283 599 T C 1.031 175.628 174.700 -0.172 0.000 1.000 599 T CA 0.241 62.316 62.100 -0.042 0.000 0.977 599 T CB 1.937 70.682 68.868 -0.205 0.000 0.979 599 T HN 0.635 nan 8.240 nan 0.000 0.446 600 G N 1.335 109.925 108.800 -0.351 0.000 2.692 600 G HA2 0.359 4.319 3.960 0.001 0.000 0.209 600 G HA3 0.359 4.319 3.960 0.001 0.000 0.209 600 G C -0.480 173.873 174.900 -0.912 0.000 1.166 600 G CA 0.126 44.941 45.100 -0.474 0.000 0.844 600 G HN 0.525 nan 8.290 nan 0.000 0.596 601 F N 0.748 120.384 119.950 -0.524 0.000 2.557 601 F HA 0.483 5.010 4.527 0.001 0.000 0.316 601 F C -2.548 172.830 175.800 -0.703 0.000 1.141 601 F CA -3.192 54.454 58.000 -0.590 0.000 0.922 601 F CB 2.142 40.837 39.000 -0.508 0.000 1.194 601 F HN -0.162 nan 8.300 nan 0.000 0.443 602 P HA 0.153 nan 4.420 nan 0.000 0.260 602 P C 0.784 177.892 177.300 -0.321 0.000 1.185 602 P CA 1.332 64.058 63.100 -0.623 0.000 0.763 602 P CB 0.381 31.980 31.700 -0.170 0.000 0.776 603 G N 3.170 111.821 108.800 -0.248 0.000 2.189 603 G HA2 -0.264 3.697 3.960 0.001 0.000 0.267 603 G HA3 -0.264 3.697 3.960 0.001 0.000 0.267 603 G C 0.689 175.609 174.900 0.032 0.000 0.975 603 G CA 0.381 45.542 45.100 0.102 0.000 0.644 603 G HN 0.509 nan 8.290 nan 0.000 0.537 604 D N -1.911 118.372 120.400 -0.196 0.000 2.403 604 D HA 0.273 4.913 4.640 0.001 0.000 0.280 604 D C -0.214 176.145 176.300 0.099 0.000 1.091 604 D CA 0.216 54.176 54.000 -0.066 0.000 0.884 604 D CB 0.741 41.325 40.800 -0.361 0.000 1.427 604 D HN 0.249 nan 8.370 nan 0.000 0.504 605 F N 1.135 120.833 119.950 -0.419 0.000 2.607 605 F HA 0.349 4.876 4.527 0.001 0.000 0.322 605 F C -1.715 173.738 175.800 -0.578 0.000 1.176 605 F CA -0.816 57.026 58.000 -0.263 0.000 0.977 605 F CB 1.162 40.062 39.000 -0.167 0.000 1.242 605 F HN -0.314 nan 8.300 nan 0.000 0.465 606 Y N 5.220 125.345 120.300 -0.292 0.000 2.468 606 Y HA 0.766 5.317 4.550 0.001 0.000 0.342 606 Y C -0.761 175.050 175.900 -0.149 0.000 1.021 606 Y CA -1.036 57.000 58.100 -0.105 0.000 1.079 606 Y CB 1.926 40.434 38.460 0.081 0.000 1.226 606 Y HN 0.367 nan 8.280 nan 0.000 0.460 607 L N 1.470 122.719 121.223 0.043 0.000 2.362 607 L HA 0.772 5.112 4.340 0.001 0.000 0.271 607 L C 0.155 176.706 176.870 -0.532 0.000 1.002 607 L CA -1.097 53.580 54.840 -0.272 0.000 0.818 607 L CB 2.230 44.188 42.059 -0.168 0.000 1.298 607 L HN 0.849 nan 8.230 nan 0.000 0.420 608 G N 1.054 109.286 108.800 -0.947 0.000 2.547 608 G HA2 0.456 4.416 3.960 0.001 0.000 0.327 608 G HA3 0.456 4.416 3.960 0.001 0.000 0.327 608 G C -1.243 173.409 174.900 -0.414 0.000 1.118 608 G CA -0.187 44.438 45.100 -0.792 0.000 1.022 608 G HN 0.330 nan 8.290 nan 0.000 0.464 609 Y N 2.586 122.658 120.300 -0.380 0.000 2.504 609 Y HA 0.160 4.710 4.550 0.001 0.000 0.351 609 Y C 2.095 177.827 175.900 -0.281 0.000 0.988 609 Y CA -0.164 57.665 58.100 -0.452 0.000 1.239 609 Y CB 1.158 38.892 38.460 -1.210 0.000 1.128 609 Y HN 0.543 nan 8.280 nan 0.000 0.525 610 T N 2.661 117.180 114.554 -0.057 0.000 2.665 610 T HA -0.225 4.125 4.350 0.001 0.000 0.268 610 T C 2.080 176.829 174.700 0.081 0.000 1.035 610 T CA 1.534 63.641 62.100 0.012 0.000 1.151 610 T CB -0.066 68.805 68.868 0.005 0.000 0.862 610 T HN 0.548 nan 8.240 nan 0.000 0.438 611 M N 0.003 119.690 119.600 0.144 0.000 2.213 611 M HA -0.037 4.444 4.480 0.001 0.000 0.263 611 M C 2.036 178.480 176.300 0.240 0.000 1.062 611 M CA 1.226 56.653 55.300 0.211 0.000 1.105 611 M CB -1.299 31.405 32.600 0.172 0.000 1.385 611 M HN 0.259 nan 8.290 nan 0.000 0.417 612 Y N 1.509 121.891 120.300 0.137 0.000 2.096 612 Y HA -0.304 4.247 4.550 0.001 0.000 0.276 612 Y C 2.576 178.505 175.900 0.049 0.000 1.209 612 Y CA 1.979 60.205 58.100 0.210 0.000 1.137 612 Y CB -1.386 37.255 38.460 0.301 0.000 0.956 612 Y HN 0.427 nan 8.280 nan 0.000 0.506 613 R N -0.611 119.931 120.500 0.069 0.000 2.152 613 R HA -0.163 4.177 4.340 0.001 0.000 0.232 613 R C 1.439 177.687 176.300 -0.087 0.000 1.117 613 R CA 1.915 57.945 56.100 -0.116 0.000 0.981 613 R CB -0.699 29.480 30.300 -0.202 0.000 0.870 613 R HN 0.415 nan 8.270 nan 0.000 0.451 614 H N 0.151 119.368 119.070 0.244 0.000 2.439 614 H HA 0.144 4.700 4.556 0.001 0.000 0.299 614 H C 2.413 177.817 175.328 0.128 0.000 1.033 614 H CA 0.987 57.228 56.048 0.321 0.000 1.348 614 H CB -0.101 29.881 29.762 0.367 0.000 1.449 614 H HN 0.017 nan 8.280 nan 0.000 0.544 615 V N 1.146 121.105 119.914 0.075 0.000 2.244 615 V HA -0.209 3.912 4.120 0.001 0.000 0.244 615 V C 2.317 178.252 176.094 -0.264 0.000 1.042 615 V CA 1.677 63.860 62.300 -0.194 0.000 1.006 615 V CB -0.844 30.732 31.823 -0.412 0.000 0.641 615 V HN 0.091 nan 8.190 nan 0.000 0.446 616 F N 0.210 120.060 119.950 -0.166 0.000 2.134 616 F HA -0.036 4.492 4.527 0.001 0.000 0.299 616 F C 0.090 175.725 175.800 -0.276 0.000 1.097 616 F CA 1.588 59.452 58.000 -0.227 0.000 1.264 616 F CB -2.100 36.704 39.000 -0.326 0.000 1.001 616 F HN 0.264 nan 8.300 nan 0.000 0.479 617 P HA -0.107 nan 4.420 nan 0.000 0.217 617 P C 1.621 178.791 177.300 -0.216 0.000 1.150 617 P CA 1.967 64.790 63.100 -0.463 0.000 0.832 617 P CB -0.160 30.774 31.700 -1.276 0.000 0.787 618 T N -0.120 114.394 114.554 -0.066 0.000 2.737 618 T HA -0.133 4.218 4.350 0.001 0.000 0.265 618 T C 1.674 176.366 174.700 -0.012 0.000 1.038 618 T CA 0.972 63.102 62.100 0.050 0.000 1.144 618 T CB -0.967 67.941 68.868 0.065 0.000 0.866 618 T HN 0.015 nan 8.240 nan 0.000 0.434 619 L N 1.367 122.549 121.223 -0.068 0.000 2.079 619 L HA 0.008 4.349 4.340 0.001 0.000 0.210 619 L C 2.523 179.392 176.870 -0.001 0.000 1.081 619 L CA 1.885 56.686 54.840 -0.064 0.000 0.752 619 L CB -0.855 41.141 42.059 -0.106 0.000 0.896 619 L HN 0.221 nan 8.230 nan 0.000 0.433 620 A N -0.597 122.229 122.820 0.010 0.000 1.873 620 A HA -0.107 4.213 4.320 0.001 0.000 0.215 620 A C 2.215 179.810 177.584 0.018 0.000 1.186 620 A CA 1.758 53.803 52.037 0.014 0.000 0.616 620 A CB -0.837 18.145 19.000 -0.030 0.000 0.823 620 A HN 0.485 nan 8.150 nan 0.000 0.442 621 L N -0.678 120.548 121.223 0.006 0.000 2.201 621 L HA -0.092 4.249 4.340 0.001 0.000 0.212 621 L C 2.711 179.590 176.870 0.013 0.000 1.105 621 L CA 0.900 55.752 54.840 0.021 0.000 0.775 621 L CB -0.712 41.395 42.059 0.080 0.000 0.913 621 L HN 0.506 nan 8.230 nan 0.000 0.440 622 G N -0.174 108.639 108.800 0.021 0.000 2.403 622 G HA2 -0.183 3.777 3.960 0.001 0.000 0.216 622 G HA3 -0.183 3.777 3.960 0.001 0.000 0.216 622 G C 1.775 176.681 174.900 0.009 0.000 1.154 622 G CA 0.145 45.253 45.100 0.013 0.000 0.784 622 G HN 0.279 nan 8.290 nan 0.000 0.538 623 R N -1.351 119.165 120.500 0.027 0.000 2.193 623 R HA 0.070 4.410 4.340 0.001 0.000 0.213 623 R C 2.113 178.442 176.300 0.049 0.000 1.055 623 R CA 0.482 56.605 56.100 0.038 0.000 0.995 623 R CB -0.255 30.078 30.300 0.055 0.000 0.893 623 R HN 0.464 nan 8.270 nan 0.000 0.459 624 Y N 1.799 122.035 120.300 -0.105 0.000 2.286 624 Y HA -0.097 4.454 4.550 0.001 0.000 0.293 624 Y C 2.153 177.933 175.900 -0.199 0.000 1.124 624 Y CA 1.230 59.241 58.100 -0.149 0.000 1.178 624 Y CB 0.052 38.383 38.460 -0.215 0.000 1.010 624 Y HN -0.209 nan 8.280 nan 0.000 0.536 625 K N -0.364 119.890 120.400 -0.243 0.000 2.283 625 K HA -0.166 4.154 4.320 0.001 0.000 0.202 625 K C 1.871 178.402 176.600 -0.115 0.000 1.048 625 K CA 1.224 57.370 56.287 -0.235 0.000 0.948 625 K CB 0.086 32.542 32.500 -0.074 0.000 0.742 625 K HN 0.323 nan 8.250 nan 0.000 0.458 626 Q N -0.267 119.483 119.800 -0.083 0.000 2.123 626 Q HA -0.018 4.323 4.340 0.001 0.000 0.199 626 Q C 1.893 177.855 176.000 -0.064 0.000 0.966 626 Q CA 1.230 57.007 55.803 -0.043 0.000 0.845 626 Q CB -0.111 28.620 28.738 -0.012 0.000 0.907 626 Q HN 0.365 nan 8.270 nan 0.000 0.439 627 A N -0.282 122.472 122.820 -0.109 0.000 2.248 627 A HA -0.029 4.292 4.320 0.001 0.000 0.210 627 A C 1.332 178.840 177.584 -0.127 0.000 1.174 627 A CA 0.873 52.846 52.037 -0.107 0.000 0.750 627 A CB -0.163 18.769 19.000 -0.115 0.000 0.780 627 A HN 0.247 nan 8.150 nan 0.000 0.478 628 I N -2.902 117.591 120.570 -0.128 0.000 3.493 628 I HA 0.514 4.685 4.170 0.001 0.000 0.262 628 I C 0.800 176.900 176.117 -0.028 0.000 1.085 628 I CA 1.391 62.641 61.300 -0.083 0.000 1.692 628 I CB 0.225 38.161 38.000 -0.106 0.000 1.712 628 I HN 0.246 nan 8.210 nan 0.000 0.412 629 E N 0.000 120.195 120.200 -0.008 0.000 2.725 629 E HA 0.000 4.351 4.350 0.001 0.000 0.291 629 E CA 0.000 nan 56.400 nan 0.000 0.976 629 E CB 0.000 nan 29.700 nan 0.000 0.812 629 E HN 0.000 nan 8.360 nan 0.000 0.440