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 3ce6_1_A DATA FIRST_RESID 10 DATA SEQUENCE SLTPDVRNGI DFKIADLSLA DFGRKELRIA EHEMPGLMSL RREYAEVQPL DATA SEQUENCE KGARISGSLH MTVQTAVLIE TLTALGAEVR WASCNIFSTQ DHAAAAVVVG DATA SEQUENCE PHGTPDEPKG VPVFAWKGET LEEYWWAAEQ MLTWPDPDKP ANMILDDGGD DATA SEQUENCE ATMLVLRGMQ YEKAGVVPPA EEDDPAEWKV FLNLLRTRFE TDKDKWTKIA DATA SEQUENCE ESVKGVTEET TTGVLRLYQF AAAGDLAFPA INVNDSVTKS KFDNKYGTRH DATA SEQUENCE SLIDGINRGT DALIGGKKVL ICGYGDVGKG CAEAMKGQGA RVSVTEIDPI DATA SEQUENCE NALQAMMEGF DVVTVEEAIG DADIVVTATG NKDIIMLEHI KAMKDHAILG DATA SEQUENCE NIGHFDNEID MAGLERSGAT RVNVKPQVDL WTFGDTGRSI IVLSEGRLLN DATA SEQUENCE LGNATGHPSF VMSNSFANQT IAQIELWTKN DEYDNEVYRL PKHLDEKVAR DATA SEQUENCE IHVEALGGHL TKLTKEQAEY LGVDVEGPYK PDHYRY 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 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.483 174.600 -0.194 0.000 1.055 10 S CA 0.000 58.135 58.200 -0.108 0.000 1.107 10 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 11 L N 2.816 123.793 121.223 -0.411 0.000 2.483 11 L HA 0.557 4.896 4.340 -0.000 0.000 0.276 11 L C 1.052 177.710 176.870 -0.354 0.000 1.213 11 L CA 0.046 54.537 54.840 -0.580 0.000 0.843 11 L CB 1.108 42.428 42.059 -1.231 0.000 1.107 11 L HN 0.800 nan 8.230 nan 0.000 0.487 12 T N 0.031 114.503 114.554 -0.138 0.000 2.900 12 T HA 0.568 4.918 4.350 -0.000 0.000 0.295 12 T C -2.695 172.131 174.700 0.210 0.000 1.044 12 T CA -2.216 59.968 62.100 0.141 0.000 0.995 12 T CB 1.947 70.850 68.868 0.059 0.000 1.072 12 T HN 0.194 nan 8.240 nan 0.000 0.473 13 P HA 0.254 nan 4.420 nan 0.000 0.269 13 P C -0.500 176.776 177.300 -0.039 0.000 1.209 13 P CA -0.253 63.017 63.100 0.284 0.000 0.776 13 P CB 0.380 32.263 31.700 0.305 0.000 0.876 14 D N 0.806 121.010 120.400 -0.327 0.000 2.304 14 D HA 0.216 4.856 4.640 -0.000 0.000 0.247 14 D C -0.397 175.528 176.300 -0.624 0.000 1.089 14 D CA 0.180 53.836 54.000 -0.573 0.000 0.910 14 D CB 0.988 41.264 40.800 -0.874 0.000 1.199 14 D HN -0.013 nan 8.370 nan 0.000 0.426 15 V N 3.354 123.083 119.914 -0.307 0.000 2.443 15 V HA 0.368 4.488 4.120 -0.000 0.000 0.293 15 V C -0.099 176.024 176.094 0.048 0.000 1.021 15 V CA -0.751 61.494 62.300 -0.092 0.000 0.848 15 V CB 1.554 33.364 31.823 -0.021 0.000 0.998 15 V HN 0.359 nan 8.190 nan 0.000 0.424 16 R N 3.633 124.276 120.500 0.237 0.000 2.532 16 R HA 0.423 4.763 4.340 -0.000 0.000 0.297 16 R C 0.180 176.569 176.300 0.147 0.000 0.984 16 R CA -0.894 55.336 56.100 0.216 0.000 0.884 16 R CB 1.296 31.785 30.300 0.316 0.000 1.182 16 R HN 0.771 nan 8.270 nan 0.000 0.442 17 N N 1.146 119.896 118.700 0.083 0.000 2.721 17 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 17 N C 0.689 176.233 175.510 0.056 0.000 1.072 17 N CA 1.827 54.910 53.050 0.055 0.000 0.710 17 N CB -0.868 37.642 38.487 0.038 0.000 0.993 17 N HN 1.085 nan 8.380 nan 0.000 0.547 18 G N -1.852 106.985 108.800 0.063 0.000 2.179 18 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.260 18 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.260 18 G C 0.200 175.140 174.900 0.068 0.000 0.977 18 G CA 0.396 45.528 45.100 0.054 0.000 0.641 18 G HN 0.550 nan 8.290 nan 0.000 0.533 19 I N 2.597 123.228 120.570 0.103 0.000 2.331 19 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 19 I C -0.258 176.002 176.117 0.239 0.000 0.998 19 I CA -0.932 60.449 61.300 0.135 0.000 1.267 19 I CB 1.196 39.259 38.000 0.104 0.000 1.386 19 I HN 0.224 nan 8.210 nan 0.000 0.476 20 D N 7.372 127.867 120.400 0.157 0.000 2.210 20 D HA 0.556 5.196 4.640 -0.000 0.000 0.249 20 D C -0.634 175.690 176.300 0.040 0.000 1.078 20 D CA -0.220 53.845 54.000 0.108 0.000 0.875 20 D CB 1.720 42.613 40.800 0.156 0.000 1.175 20 D HN 0.393 nan 8.370 nan 0.000 0.440 21 F N -1.513 118.302 119.950 -0.226 0.000 2.858 21 F HA 0.696 5.223 4.527 -0.000 0.000 0.319 21 F C -1.744 173.891 175.800 -0.276 0.000 1.166 21 F CA -1.294 56.302 58.000 -0.673 0.000 0.899 21 F CB 1.525 40.274 39.000 -0.420 0.000 1.332 21 F HN 0.244 nan 8.300 nan 0.000 0.461 22 K N 2.413 122.796 120.400 -0.029 0.000 2.656 22 K HA 0.688 5.008 4.320 -0.000 0.000 0.253 22 K C -1.687 175.127 176.600 0.356 0.000 1.002 22 K CA -0.285 56.137 56.287 0.225 0.000 0.880 22 K CB 1.288 34.154 32.500 0.611 0.000 1.232 22 K HN 0.931 nan 8.250 nan 0.000 0.456 23 I N -0.327 120.397 120.570 0.257 0.000 3.279 23 I HA 0.753 4.923 4.170 -0.000 0.000 0.315 23 I C 0.398 176.559 176.117 0.073 0.000 1.187 23 I CA -1.022 60.434 61.300 0.260 0.000 0.953 23 I CB 1.982 40.116 38.000 0.223 0.000 1.279 23 I HN 0.428 nan 8.210 nan 0.000 0.465 24 A N 0.837 123.741 122.820 0.139 0.000 1.855 24 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 24 A C 0.541 178.147 177.584 0.037 0.000 1.191 24 A CA 2.125 54.191 52.037 0.048 0.000 0.613 24 A CB -0.428 18.664 19.000 0.154 0.000 0.829 24 A HN 0.876 nan 8.150 nan 0.000 0.442 25 D N -2.370 118.075 120.400 0.076 0.000 2.419 25 D HA 0.241 4.880 4.640 -0.000 0.000 0.219 25 D C 0.077 176.408 176.300 0.051 0.000 1.349 25 D CA -0.567 53.471 54.000 0.062 0.000 0.964 25 D CB 0.590 41.428 40.800 0.063 0.000 1.463 25 D HN -0.079 nan 8.370 nan 0.000 0.573 26 L N 3.231 124.473 121.223 0.032 0.000 2.131 26 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 26 L C 2.215 179.081 176.870 -0.007 0.000 1.092 26 L CA 2.328 57.150 54.840 -0.031 0.000 0.759 26 L CB -0.760 41.273 42.059 -0.044 0.000 0.903 26 L HN 0.577 nan 8.230 nan 0.000 0.435 27 S N -1.640 114.074 115.700 0.024 0.000 2.507 27 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 27 S C 1.765 176.403 174.600 0.063 0.000 0.988 27 S CA 0.642 58.862 58.200 0.034 0.000 0.944 27 S CB -0.750 62.470 63.200 0.035 0.000 0.762 27 S HN 0.502 nan 8.310 nan 0.000 0.526 28 L N 0.752 122.027 121.223 0.087 0.000 2.622 28 L HA 0.180 4.520 4.340 -0.000 0.000 0.233 28 L C 2.758 179.710 176.870 0.136 0.000 1.156 28 L CA 0.459 55.396 54.840 0.162 0.000 0.866 28 L CB -0.669 41.513 42.059 0.205 0.000 0.980 28 L HN 0.448 nan 8.230 nan 0.000 0.448 29 A N 0.136 122.985 122.820 0.049 0.000 1.933 29 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 29 A C 1.889 179.485 177.584 0.020 0.000 1.175 29 A CA 1.833 53.866 52.037 -0.006 0.000 0.628 29 A CB -0.299 18.669 19.000 -0.054 0.000 0.814 29 A HN 0.308 nan 8.150 nan 0.000 0.444 30 D N -1.114 119.326 120.400 0.066 0.000 2.097 30 D HA -0.121 4.518 4.640 -0.000 0.000 0.195 30 D C 1.574 177.976 176.300 0.170 0.000 0.989 30 D CA 1.247 55.298 54.000 0.084 0.000 0.827 30 D CB -0.389 40.459 40.800 0.080 0.000 0.966 30 D HN 0.429 nan 8.370 nan 0.000 0.456 31 F N 1.429 121.409 119.950 0.051 0.000 2.146 31 F HA 0.036 4.563 4.527 -0.000 0.000 0.298 31 F C 2.198 178.088 175.800 0.151 0.000 1.096 31 F CA 1.668 59.727 58.000 0.099 0.000 1.275 31 F CB -0.825 38.241 39.000 0.110 0.000 1.008 31 F HN -0.041 nan 8.300 nan 0.000 0.480 32 G N 0.268 109.024 108.800 -0.073 0.000 2.476 32 G HA2 -0.371 3.588 3.960 -0.000 0.000 0.218 32 G HA3 -0.371 3.588 3.960 -0.000 0.000 0.218 32 G C 1.801 176.558 174.900 -0.239 0.000 1.164 32 G CA 1.044 45.922 45.100 -0.369 0.000 0.768 32 G HN 0.342 nan 8.290 nan 0.000 0.560 33 R N 0.873 121.309 120.500 -0.106 0.000 2.096 33 R HA 0.035 4.375 4.340 -0.000 0.000 0.235 33 R C 2.439 178.715 176.300 -0.040 0.000 1.127 33 R CA 1.631 57.681 56.100 -0.084 0.000 0.968 33 R CB -0.441 29.822 30.300 -0.062 0.000 0.861 33 R HN 0.370 nan 8.270 nan 0.000 0.440 34 K N 0.121 120.535 120.400 0.023 0.000 2.057 34 K HA -0.135 4.184 4.320 -0.000 0.000 0.207 34 K C 2.005 178.632 176.600 0.045 0.000 1.049 34 K CA 1.813 58.140 56.287 0.066 0.000 0.931 34 K CB -0.090 32.502 32.500 0.152 0.000 0.714 34 K HN 0.331 nan 8.250 nan 0.000 0.440 35 E N 0.495 120.691 120.200 -0.005 0.000 2.106 35 E HA -0.156 4.193 4.350 -0.000 0.000 0.192 35 E C 1.996 178.565 176.600 -0.053 0.000 0.984 35 E CA 0.738 57.122 56.400 -0.025 0.000 0.806 35 E CB -0.005 29.644 29.700 -0.086 0.000 0.750 35 E HN 0.099 nan 8.360 nan 0.000 0.458 36 L N 0.948 122.106 121.223 -0.109 0.000 2.042 36 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 36 L C 2.353 179.207 176.870 -0.028 0.000 1.076 36 L CA 1.654 56.439 54.840 -0.092 0.000 0.749 36 L CB -0.445 41.534 42.059 -0.133 0.000 0.893 36 L HN -0.000 nan 8.230 nan 0.000 0.432 37 R N -0.761 119.740 120.500 0.002 0.000 2.092 37 R HA -0.062 4.277 4.340 -0.000 0.000 0.231 37 R C 2.309 178.716 176.300 0.177 0.000 1.119 37 R CA 1.204 57.340 56.100 0.059 0.000 0.970 37 R CB -0.429 29.911 30.300 0.067 0.000 0.864 37 R HN 0.320 nan 8.270 nan 0.000 0.440 38 I N 0.769 121.422 120.570 0.137 0.000 2.208 38 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 38 I C 2.605 178.823 176.117 0.167 0.000 1.097 38 I CA 1.395 62.788 61.300 0.155 0.000 1.363 38 I CB -0.434 37.619 38.000 0.089 0.000 1.051 38 I HN 0.197 nan 8.210 nan 0.000 0.413 39 A N 0.449 123.327 122.820 0.096 0.000 1.933 39 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 39 A C 2.170 179.797 177.584 0.072 0.000 1.175 39 A CA 1.592 53.675 52.037 0.078 0.000 0.628 39 A CB -0.592 18.427 19.000 0.032 0.000 0.814 39 A HN 0.454 nan 8.150 nan 0.000 0.444 40 E N -0.909 119.308 120.200 0.029 0.000 2.130 40 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 40 E C 1.724 178.278 176.600 -0.077 0.000 0.998 40 E CA 1.645 58.013 56.400 -0.053 0.000 0.806 40 E CB -0.325 29.298 29.700 -0.128 0.000 0.738 40 E HN 0.843 nan 8.360 nan 0.000 0.459 41 H N -0.019 119.074 119.070 0.039 0.000 2.495 41 H HA 0.017 4.572 4.556 -0.001 0.000 0.287 41 H C 1.293 176.684 175.328 0.105 0.000 1.033 41 H CA 0.793 56.875 56.048 0.057 0.000 1.307 41 H CB 0.336 30.128 29.762 0.050 0.000 1.401 41 H HN 0.014 nan 8.280 nan 0.000 0.555 42 E N -0.067 120.267 120.200 0.225 0.000 2.476 42 E HA 0.136 4.485 4.350 -0.000 0.000 0.196 42 E C -0.188 176.534 176.600 0.204 0.000 1.029 42 E CA 0.171 56.748 56.400 0.296 0.000 0.896 42 E CB 0.509 30.361 29.700 0.254 0.000 1.012 42 E HN 0.517 nan 8.360 nan 0.000 0.475 43 M N 1.477 121.122 119.600 0.074 0.000 2.746 43 M HA 0.196 4.675 4.480 -0.000 0.000 0.209 43 M C -1.979 174.287 176.300 -0.057 0.000 1.077 43 M CA -1.399 53.897 55.300 -0.007 0.000 0.695 43 M CB 1.545 34.160 32.600 0.025 0.000 1.416 43 M HN -0.232 nan 8.290 nan 0.000 0.459 44 P HA -0.035 nan 4.420 nan 0.000 0.225 44 P C 1.386 178.542 177.300 -0.239 0.000 1.156 44 P CA 1.188 64.178 63.100 -0.182 0.000 0.787 44 P CB 0.207 31.780 31.700 -0.212 0.000 0.802 45 G N 0.912 109.543 108.800 -0.282 0.000 2.421 45 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 45 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 45 G C 1.665 176.554 174.900 -0.019 0.000 1.171 45 G CA 0.463 45.491 45.100 -0.119 0.000 0.775 45 G HN 0.217 nan 8.290 nan 0.000 0.543 46 L N -0.011 121.216 121.223 0.006 0.000 2.072 46 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 46 L C 3.066 179.931 176.870 -0.008 0.000 1.079 46 L CA 0.605 55.455 54.840 0.017 0.000 0.752 46 L CB -0.303 41.773 42.059 0.029 0.000 0.906 46 L HN 0.149 nan 8.230 nan 0.000 0.436 47 M N -0.855 118.725 119.600 -0.034 0.000 2.175 47 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 47 M C 2.575 178.858 176.300 -0.029 0.000 1.063 47 M CA 1.451 56.726 55.300 -0.043 0.000 1.119 47 M CB -1.433 31.125 32.600 -0.071 0.000 1.377 47 M HN 0.195 nan 8.290 nan 0.000 0.415 48 S N 0.729 116.406 115.700 -0.038 0.000 2.370 48 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 48 S C 2.022 176.638 174.600 0.026 0.000 1.033 48 S CA 1.038 59.224 58.200 -0.023 0.000 1.011 48 S CB -0.149 63.021 63.200 -0.050 0.000 0.852 48 S HN 0.459 nan 8.310 nan 0.000 0.457 49 L N 0.655 121.915 121.223 0.062 0.000 2.083 49 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 49 L C 2.938 179.908 176.870 0.167 0.000 1.083 49 L CA 1.304 56.246 54.840 0.170 0.000 0.752 49 L CB -0.443 41.696 42.059 0.132 0.000 0.899 49 L HN 0.274 nan 8.230 nan 0.000 0.433 50 R N -0.323 120.221 120.500 0.074 0.000 2.081 50 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 50 R C 2.457 178.792 176.300 0.057 0.000 1.131 50 R CA 1.325 57.459 56.100 0.057 0.000 0.960 50 R CB -0.244 30.063 30.300 0.012 0.000 0.856 50 R HN 0.348 nan 8.270 nan 0.000 0.436 51 R N 0.250 120.769 120.500 0.030 0.000 2.066 51 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 51 R C 2.287 178.583 176.300 -0.006 0.000 1.131 51 R CA 1.374 57.478 56.100 0.006 0.000 0.955 51 R CB -0.186 30.108 30.300 -0.011 0.000 0.851 51 R HN 0.332 nan 8.270 nan 0.000 0.432 52 E N -0.109 120.081 120.200 -0.015 0.000 2.106 52 E HA -0.182 4.167 4.350 -0.000 0.000 0.192 52 E C 0.603 177.065 176.600 -0.230 0.000 0.984 52 E CA 1.167 57.477 56.400 -0.149 0.000 0.806 52 E CB 0.152 29.730 29.700 -0.205 0.000 0.750 52 E HN 0.387 nan 8.360 nan 0.000 0.458 53 Y N -0.933 119.370 120.300 0.006 0.000 2.507 53 Y HA 0.379 4.929 4.550 -0.001 0.000 0.254 53 Y C 1.619 177.525 175.900 0.010 0.000 1.171 53 Y CA 0.090 58.198 58.100 0.012 0.000 1.238 53 Y CB 0.509 38.979 38.460 0.017 0.000 1.148 53 Y HN 0.138 nan 8.280 nan 0.000 0.525 54 A N 0.691 123.576 122.820 0.108 0.000 1.873 54 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 54 A C 2.116 179.736 177.584 0.061 0.000 1.193 54 A CA 2.381 54.459 52.037 0.069 0.000 0.629 54 A CB -0.484 18.538 19.000 0.036 0.000 0.826 54 A HN 0.554 nan 8.150 nan 0.000 0.447 55 E N -0.504 119.722 120.200 0.043 0.000 2.107 55 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 55 E C 1.769 178.402 176.600 0.054 0.000 0.982 55 E CA 1.163 57.584 56.400 0.035 0.000 0.809 55 E CB -0.162 29.547 29.700 0.014 0.000 0.756 55 E HN 0.253 nan 8.360 nan 0.000 0.459 56 V N 1.024 120.986 119.914 0.079 0.000 2.343 56 V HA -0.245 3.874 4.120 -0.000 0.000 0.247 56 V C 0.680 176.846 176.094 0.120 0.000 1.051 56 V CA 1.618 63.985 62.300 0.113 0.000 1.036 56 V CB -0.569 31.373 31.823 0.198 0.000 0.654 56 V HN 0.459 nan 8.190 nan 0.000 0.451 57 Q N -1.862 118.012 119.800 0.125 0.000 2.452 57 Q HA -0.199 4.141 4.340 -0.000 0.000 0.318 57 Q C -1.344 174.719 176.000 0.105 0.000 1.386 57 Q CA 1.077 56.936 55.803 0.093 0.000 0.872 57 Q CB -1.776 27.002 28.738 0.066 0.000 1.151 57 Q HN 0.540 nan 8.270 nan 0.000 0.417 58 P HA -0.131 nan 4.420 nan 0.000 0.222 58 P C 1.123 178.525 177.300 0.171 0.000 1.147 58 P CA 0.952 64.130 63.100 0.131 0.000 0.790 58 P CB 0.173 31.895 31.700 0.037 0.000 0.780 59 L N -1.210 120.035 121.223 0.038 0.000 2.667 59 L HA 0.202 4.542 4.340 -0.000 0.000 0.232 59 L C 1.284 178.060 176.870 -0.157 0.000 1.138 59 L CA -0.428 54.329 54.840 -0.137 0.000 0.921 59 L CB -0.251 41.672 42.059 -0.227 0.000 1.180 59 L HN -0.109 nan 8.230 nan 0.000 0.487 60 K N 0.963 121.384 120.400 0.035 0.000 2.530 60 K HA 0.042 4.362 4.320 -0.000 0.000 0.280 60 K C 1.213 177.904 176.600 0.153 0.000 1.004 60 K CA 1.170 57.494 56.287 0.062 0.000 1.071 60 K CB 0.250 32.808 32.500 0.096 0.000 0.876 60 K HN 0.264 nan 8.250 nan 0.000 0.487 61 G N 1.835 110.662 108.800 0.044 0.000 2.217 61 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 61 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 61 G C 0.087 174.894 174.900 -0.156 0.000 0.990 61 G CA 0.096 45.268 45.100 0.120 0.000 0.627 61 G HN 0.944 nan 8.290 nan 0.000 0.522 62 A N 0.308 122.702 122.820 -0.710 0.000 2.388 62 A HA 0.739 5.059 4.320 -0.000 0.000 0.257 62 A C 0.637 177.814 177.584 -0.677 0.000 1.095 62 A CA 0.145 51.416 52.037 -1.276 0.000 0.791 62 A CB 0.304 18.373 19.000 -1.552 0.000 1.029 62 A HN 0.471 nan 8.150 nan 0.000 0.489 63 R N 2.350 122.414 120.500 -0.727 0.000 2.415 63 R HA 0.375 4.714 4.340 -0.000 0.000 0.292 63 R C -1.383 174.577 176.300 -0.568 0.000 1.295 63 R CA -0.073 55.467 56.100 -0.933 0.000 1.137 63 R CB 0.996 30.319 30.300 -1.629 0.000 1.135 63 R HN 0.698 nan 8.270 nan 0.000 0.560 64 I N 1.423 121.947 120.570 -0.077 0.000 2.331 64 I HA 0.168 4.338 4.170 -0.000 0.000 0.292 64 I C 0.211 176.482 176.117 0.257 0.000 0.998 64 I CA -0.253 61.050 61.300 0.006 0.000 1.267 64 I CB 1.946 39.943 38.000 -0.006 0.000 1.386 64 I HN 0.336 nan 8.210 nan 0.000 0.476 65 S N 4.590 120.366 115.700 0.126 0.000 2.404 65 S HA 0.489 4.958 4.470 -0.000 0.000 0.309 65 S C 0.255 174.674 174.600 -0.301 0.000 1.076 65 S CA -0.595 57.642 58.200 0.062 0.000 1.095 65 S CB 0.952 64.231 63.200 0.132 0.000 0.972 65 S HN 0.794 nan 8.310 nan 0.000 0.484 66 G N 1.406 109.768 108.800 -0.730 0.000 2.416 66 G HA2 0.514 4.474 3.960 -0.000 0.000 0.324 66 G HA3 0.514 4.474 3.960 -0.000 0.000 0.324 66 G C -0.745 173.260 174.900 -1.491 0.000 1.194 66 G CA -0.512 43.679 45.100 -1.514 0.000 0.922 66 G HN 0.546 nan 8.290 nan 0.000 0.467 67 S N 2.427 117.597 115.700 -0.883 0.000 2.667 67 S HA 0.697 5.167 4.470 -0.000 0.000 0.304 67 S C -0.806 173.588 174.600 -0.344 0.000 1.135 67 S CA -0.666 57.195 58.200 -0.565 0.000 1.125 67 S CB -0.093 62.913 63.200 -0.324 0.000 0.996 67 S HN 0.623 nan 8.310 nan 0.000 0.474 68 L N 4.520 125.630 121.223 -0.189 0.000 2.643 68 L HA 0.363 4.703 4.340 -0.000 0.000 0.257 68 L C -0.924 176.063 176.870 0.197 0.000 0.922 68 L CA -0.785 54.062 54.840 0.011 0.000 0.909 68 L CB 1.433 43.632 42.059 0.233 0.000 1.424 68 L HN 0.711 nan 8.230 nan 0.000 0.422 69 H N 4.224 123.437 119.070 0.238 0.000 3.221 69 H HA -0.134 4.422 4.556 -0.000 0.000 0.272 69 H C 0.237 175.693 175.328 0.214 0.000 0.865 69 H CA 0.456 56.619 56.048 0.192 0.000 1.419 69 H CB 0.300 30.153 29.762 0.152 0.000 1.377 69 H HN 0.397 nan 8.280 nan 0.000 0.535 70 M N 4.660 124.434 119.600 0.291 0.000 3.213 70 M HA 0.079 4.559 4.480 -0.000 0.000 0.275 70 M C -0.132 176.237 176.300 0.115 0.000 1.424 70 M CA -0.278 55.133 55.300 0.185 0.000 1.561 70 M CB -0.623 32.093 32.600 0.193 0.000 1.109 70 M HN 0.594 nan 8.290 nan 0.000 0.552 71 T N -1.194 113.423 114.554 0.105 0.000 2.938 71 T HA 0.493 4.842 4.350 -0.000 0.000 0.285 71 T C 1.105 175.792 174.700 -0.021 0.000 1.028 71 T CA -0.932 61.212 62.100 0.072 0.000 1.005 71 T CB 0.945 69.888 68.868 0.126 0.000 1.157 71 T HN 0.115 nan 8.240 nan 0.000 0.550 72 V N 1.428 121.304 119.914 -0.063 0.000 2.317 72 V HA -0.241 3.879 4.120 -0.000 0.000 0.251 72 V C 2.876 178.949 176.094 -0.034 0.000 1.065 72 V CA 2.205 64.433 62.300 -0.120 0.000 1.049 72 V CB -1.133 30.621 31.823 -0.115 0.000 0.651 72 V HN 0.825 nan 8.190 nan 0.000 0.450 73 Q N -0.380 119.464 119.800 0.073 0.000 2.084 73 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 73 Q C 2.318 178.500 176.000 0.303 0.000 0.978 73 Q CA 2.204 58.125 55.803 0.197 0.000 0.844 73 Q CB -0.929 27.940 28.738 0.218 0.000 0.898 73 Q HN 0.627 nan 8.270 nan 0.000 0.426 74 T N 0.530 115.223 114.554 0.231 0.000 2.867 74 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 74 T C 1.829 176.324 174.700 -0.342 0.000 1.057 74 T CA 1.055 63.090 62.100 -0.108 0.000 1.136 74 T CB -0.375 68.459 68.868 -0.056 0.000 0.874 74 T HN 0.411 nan 8.240 nan 0.000 0.466 75 A N 1.127 123.794 122.820 -0.256 0.000 1.908 75 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 75 A C 2.545 179.971 177.584 -0.264 0.000 1.181 75 A CA 1.463 53.313 52.037 -0.311 0.000 0.627 75 A CB -1.007 17.844 19.000 -0.249 0.000 0.818 75 A HN 0.374 nan 8.150 nan 0.000 0.445 76 V N -0.171 119.647 119.914 -0.159 0.000 2.407 76 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 76 V C 2.478 178.487 176.094 -0.143 0.000 1.055 76 V CA 1.828 64.062 62.300 -0.110 0.000 1.049 76 V CB -0.888 30.916 31.823 -0.032 0.000 0.662 76 V HN 0.619 nan 8.190 nan 0.000 0.455 77 L N 0.275 121.378 121.223 -0.200 0.000 1.994 77 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 77 L C 2.209 178.858 176.870 -0.367 0.000 1.071 77 L CA 1.955 56.605 54.840 -0.317 0.000 0.745 77 L CB -0.546 41.108 42.059 -0.676 0.000 0.892 77 L HN 0.209 nan 8.230 nan 0.000 0.431 78 I N -0.363 119.885 120.570 -0.537 0.000 2.208 78 I HA -0.286 3.883 4.170 -0.000 0.000 0.245 78 I C 2.337 178.273 176.117 -0.301 0.000 1.097 78 I CA 1.611 62.576 61.300 -0.557 0.000 1.363 78 I CB -0.380 37.153 38.000 -0.777 0.000 1.051 78 I HN 0.400 nan 8.210 nan 0.000 0.413 79 E N -0.136 119.914 120.200 -0.249 0.000 2.285 79 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 79 E C 2.043 178.570 176.600 -0.121 0.000 0.997 79 E CA 1.132 57.430 56.400 -0.169 0.000 0.845 79 E CB 0.036 29.640 29.700 -0.159 0.000 0.782 79 E HN 0.473 nan 8.360 nan 0.000 0.491 80 T N 1.508 115.987 114.554 -0.125 0.000 2.770 80 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 80 T C 1.974 176.624 174.700 -0.085 0.000 1.039 80 T CA 0.670 62.720 62.100 -0.085 0.000 1.142 80 T CB -0.106 68.719 68.868 -0.071 0.000 0.868 80 T HN 0.090 nan 8.240 nan 0.000 0.435 81 L N 1.309 122.465 121.223 -0.112 0.000 2.017 81 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 81 L C 3.102 179.925 176.870 -0.079 0.000 1.073 81 L CA 1.757 56.540 54.840 -0.096 0.000 0.745 81 L CB -1.260 40.751 42.059 -0.079 0.000 0.894 81 L HN 0.458 nan 8.230 nan 0.000 0.432 82 T N -2.619 111.888 114.554 -0.077 0.000 2.821 82 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 82 T C 1.967 176.644 174.700 -0.038 0.000 1.046 82 T CA 0.805 62.874 62.100 -0.052 0.000 1.139 82 T CB -0.419 68.418 68.868 -0.052 0.000 0.871 82 T HN 0.296 nan 8.240 nan 0.000 0.454 83 A N 1.507 124.304 122.820 -0.039 0.000 2.024 83 A HA 0.161 4.481 4.320 -0.000 0.000 0.220 83 A C 2.248 179.830 177.584 -0.002 0.000 1.164 83 A CA 1.154 53.182 52.037 -0.016 0.000 0.643 83 A CB -0.807 18.184 19.000 -0.014 0.000 0.806 83 A HN 0.602 nan 8.150 nan 0.000 0.451 84 L N -2.048 119.165 121.223 -0.018 0.000 2.607 84 L HA 0.279 4.619 4.340 -0.000 0.000 0.228 84 L C 1.569 178.429 176.870 -0.018 0.000 1.123 84 L CA 0.537 55.373 54.840 -0.007 0.000 0.890 84 L CB 0.103 42.137 42.059 -0.041 0.000 1.103 84 L HN 0.576 nan 8.230 nan 0.000 0.468 85 G N -0.274 108.509 108.800 -0.028 0.000 2.255 85 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.196 85 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.196 85 G C 0.404 175.266 174.900 -0.064 0.000 0.998 85 G CA -0.149 44.935 45.100 -0.026 0.000 0.656 85 G HN 0.392 nan 8.290 nan 0.000 0.490 86 A N 0.209 122.968 122.820 -0.101 0.000 2.366 86 A HA 0.663 4.982 4.320 -0.000 0.000 0.249 86 A C 0.326 177.883 177.584 -0.045 0.000 1.084 86 A CA 0.303 52.254 52.037 -0.142 0.000 0.794 86 A CB 0.357 19.268 19.000 -0.148 0.000 1.034 86 A HN 0.443 nan 8.150 nan 0.000 0.491 87 E N -0.721 119.474 120.200 -0.008 0.000 2.222 87 E HA 0.507 4.857 4.350 -0.000 0.000 0.272 87 E C -0.565 176.228 176.600 0.321 0.000 0.982 87 E CA -0.672 55.831 56.400 0.171 0.000 0.842 87 E CB 1.866 31.752 29.700 0.310 0.000 1.144 87 E HN 0.649 nan 8.360 nan 0.000 0.397 88 V N -0.418 119.696 119.914 0.332 0.000 3.040 88 V HA 0.717 4.837 4.120 -0.000 0.000 0.312 88 V C -1.009 175.154 176.094 0.114 0.000 1.115 88 V CA -0.976 61.536 62.300 0.353 0.000 0.998 88 V CB 2.084 34.102 31.823 0.325 0.000 1.042 88 V HN 0.630 nan 8.190 nan 0.000 0.433 89 R N 2.513 123.073 120.500 0.100 0.000 2.574 89 R HA 0.518 4.858 4.340 -0.000 0.000 0.288 89 R C -1.647 174.748 176.300 0.158 0.000 1.004 89 R CA -0.411 55.658 56.100 -0.051 0.000 0.895 89 R CB 2.360 32.382 30.300 -0.463 0.000 1.191 89 R HN 0.881 nan 8.270 nan 0.000 0.444 90 W N 1.362 122.670 121.300 0.012 0.000 2.799 90 W HA 0.759 5.419 4.660 -0.001 0.000 0.349 90 W C -1.202 175.368 176.519 0.085 0.000 1.100 90 W CA -0.463 56.891 57.345 0.014 0.000 1.174 90 W CB 2.376 31.817 29.460 -0.032 0.000 1.427 90 W HN 0.652 nan 8.180 nan 0.000 0.547 91 A N 1.780 124.544 122.820 -0.095 0.000 2.606 91 A HA 0.494 4.813 4.320 -0.000 0.000 0.293 91 A C -1.030 176.536 177.584 -0.030 0.000 1.082 91 A CA -0.461 51.574 52.037 -0.002 0.000 0.685 91 A CB 1.670 20.563 19.000 -0.177 0.000 1.284 91 A HN 0.367 nan 8.150 nan 0.000 0.408 92 S N -0.846 114.872 115.700 0.031 0.000 2.603 92 S HA 0.288 4.758 4.470 -0.000 0.000 0.268 92 S C 1.045 175.640 174.600 -0.008 0.000 1.317 92 S CA 0.104 58.342 58.200 0.064 0.000 1.012 92 S CB 0.269 63.539 63.200 0.118 0.000 0.926 92 S HN 1.773 nan 8.310 nan 0.000 0.539 93 C N 3.236 122.519 119.300 -0.028 0.000 2.688 93 C HA 0.545 5.005 4.460 -0.000 0.000 0.297 93 C C 0.313 175.350 174.990 0.078 0.000 1.308 93 C CA -0.928 58.111 59.018 0.035 0.000 1.726 93 C CB -2.096 25.568 27.740 -0.127 0.000 1.982 93 C HN 0.725 nan 8.230 nan 0.000 0.604 94 N N 0.644 119.426 118.700 0.136 0.000 2.504 94 N HA 0.293 5.033 4.740 -0.000 0.000 0.268 94 N C 0.472 175.932 175.510 -0.082 0.000 1.184 94 N CA -0.386 52.630 53.050 -0.056 0.000 0.875 94 N CB 1.562 40.091 38.487 0.070 0.000 1.630 94 N HN 0.336 nan 8.380 nan 0.000 0.486 95 I N -1.209 119.142 120.570 -0.365 0.000 2.830 95 I HA 0.088 4.258 4.170 -0.000 0.000 0.263 95 I C 0.219 176.179 176.117 -0.261 0.000 1.230 95 I CA 0.910 61.978 61.300 -0.386 0.000 1.480 95 I CB -0.230 37.374 38.000 -0.660 0.000 1.095 95 I HN 0.199 nan 8.210 nan 0.000 0.455 96 F N 1.265 121.215 119.950 -0.000 0.000 2.682 96 F HA 0.218 4.745 4.527 -0.001 0.000 0.308 96 F C 2.404 178.228 175.800 0.040 0.000 1.093 96 F CA -0.216 57.797 58.000 0.022 0.000 1.244 96 F CB -0.324 38.686 39.000 0.015 0.000 1.052 96 F HN 0.122 nan 8.300 nan 0.000 0.573 97 S N -1.954 113.871 115.700 0.207 0.000 2.501 97 S HA 0.026 4.496 4.470 -0.000 0.000 0.220 97 S C 1.021 175.726 174.600 0.175 0.000 0.997 97 S CA 0.123 58.417 58.200 0.157 0.000 0.919 97 S CB -0.794 62.512 63.200 0.178 0.000 0.778 97 S HN 0.090 nan 8.310 nan 0.000 0.523 98 T N 3.118 117.785 114.554 0.188 0.000 2.926 98 T HA 0.184 4.533 4.350 -0.000 0.000 0.307 98 T C -0.316 174.495 174.700 0.185 0.000 1.059 98 T CA 0.191 62.402 62.100 0.186 0.000 1.122 98 T CB 0.619 69.600 68.868 0.187 0.000 0.972 98 T HN 0.411 nan 8.240 nan 0.000 0.545 99 Q N 2.047 121.952 119.800 0.175 0.000 2.400 99 Q HA 0.193 4.533 4.340 -0.000 0.000 0.255 99 Q C 0.281 176.429 176.000 0.246 0.000 1.008 99 Q CA -0.673 55.266 55.803 0.227 0.000 0.841 99 Q CB 1.204 30.087 28.738 0.242 0.000 1.220 99 Q HN 0.541 nan 8.270 nan 0.000 0.474 100 D N 1.360 121.920 120.400 0.266 0.000 2.149 100 D HA -0.214 4.426 4.640 -0.000 0.000 0.198 100 D C 1.730 178.156 176.300 0.210 0.000 0.990 100 D CA 1.436 55.574 54.000 0.230 0.000 0.839 100 D CB 0.141 41.075 40.800 0.222 0.000 0.948 100 D HN 0.677 nan 8.370 nan 0.000 0.460 101 H N 0.711 119.781 119.070 0.001 0.000 2.387 101 H HA 0.099 4.654 4.556 -0.000 0.000 0.299 101 H C 1.853 177.101 175.328 -0.133 0.000 1.090 101 H CA 1.523 57.519 56.048 -0.088 0.000 1.332 101 H CB -0.737 28.851 29.762 -0.289 0.000 1.386 101 H HN 0.070 nan 8.280 nan 0.000 0.516 102 A N 1.723 124.259 122.820 -0.473 0.000 1.929 102 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 102 A C 2.794 180.255 177.584 -0.204 0.000 1.176 102 A CA 1.741 53.528 52.037 -0.417 0.000 0.628 102 A CB -0.991 17.793 19.000 -0.359 0.000 0.816 102 A HN 0.630 nan 8.150 nan 0.000 0.444 103 A N 0.035 122.806 122.820 -0.082 0.000 1.908 103 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 103 A C 2.476 180.001 177.584 -0.098 0.000 1.181 103 A CA 2.117 54.128 52.037 -0.044 0.000 0.627 103 A CB -0.929 18.118 19.000 0.079 0.000 0.818 103 A HN 1.002 nan 8.150 nan 0.000 0.445 104 A N -0.267 122.507 122.820 -0.078 0.000 1.898 104 A HA 0.223 4.543 4.320 -0.000 0.000 0.216 104 A C 2.502 179.991 177.584 -0.159 0.000 1.181 104 A CA 1.909 53.878 52.037 -0.113 0.000 0.620 104 A CB -0.990 17.988 19.000 -0.038 0.000 0.819 104 A HN 1.044 nan 8.150 nan 0.000 0.442 105 A N -0.483 122.242 122.820 -0.158 0.000 1.933 105 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 105 A C 2.208 179.677 177.584 -0.192 0.000 1.175 105 A CA 1.779 53.713 52.037 -0.172 0.000 0.628 105 A CB -0.902 17.979 19.000 -0.200 0.000 0.814 105 A HN 0.380 nan 8.150 nan 0.000 0.444 106 V N -0.394 119.395 119.914 -0.209 0.000 2.343 106 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 106 V C 2.556 178.520 176.094 -0.216 0.000 1.051 106 V CA 1.988 64.156 62.300 -0.220 0.000 1.036 106 V CB -0.710 30.965 31.823 -0.246 0.000 0.654 106 V HN 0.380 nan 8.190 nan 0.000 0.451 107 V N -0.525 119.237 119.914 -0.252 0.000 2.427 107 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 107 V C 2.340 178.267 176.094 -0.278 0.000 1.051 107 V CA 1.728 63.830 62.300 -0.331 0.000 1.048 107 V CB -0.227 31.247 31.823 -0.582 0.000 0.666 107 V HN 0.413 nan 8.190 nan 0.000 0.456 108 V N -0.528 119.243 119.914 -0.238 0.000 2.591 108 V HA 0.279 4.399 4.120 -0.000 0.000 0.249 108 V C 1.275 177.288 176.094 -0.134 0.000 1.053 108 V CA 1.117 63.311 62.300 -0.176 0.000 1.068 108 V CB -0.934 30.802 31.823 -0.145 0.000 0.689 108 V HN 0.782 nan 8.190 nan 0.000 0.462 109 G N 0.481 109.192 108.800 -0.148 0.000 2.814 109 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.677 109 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.677 109 G C -1.576 173.224 174.900 -0.167 0.000 1.429 109 G CA -0.115 44.901 45.100 -0.140 0.000 0.868 109 G HN 0.217 nan 8.290 nan 0.000 0.553 110 P HA -0.012 nan 4.420 nan 0.000 0.225 110 P C 0.753 177.714 177.300 -0.565 0.000 1.156 110 P CA 1.464 64.322 63.100 -0.404 0.000 0.787 110 P CB 0.078 31.487 31.700 -0.486 0.000 0.802 111 H N -1.465 117.581 119.070 -0.040 0.000 2.672 111 H HA 0.368 4.924 4.556 -0.000 0.000 0.277 111 H C 1.239 176.549 175.328 -0.031 0.000 1.074 111 H CA 0.025 56.055 56.048 -0.030 0.000 1.173 111 H CB 0.512 30.259 29.762 -0.024 0.000 1.558 111 H HN 0.086 nan 8.280 nan 0.000 0.539 112 G N 0.681 109.493 108.800 0.019 0.000 2.557 112 G HA2 0.445 4.405 3.960 -0.000 0.000 0.302 112 G HA3 0.445 4.405 3.960 -0.000 0.000 0.302 112 G C 0.003 174.894 174.900 -0.015 0.000 1.311 112 G CA -0.180 44.920 45.100 0.001 0.000 1.030 112 G HN 0.229 nan 8.290 nan 0.000 0.509 113 T N -3.200 111.342 114.554 -0.020 0.000 2.887 113 T HA 0.564 4.914 4.350 -0.000 0.000 0.292 113 T C -2.256 172.422 174.700 -0.037 0.000 1.087 113 T CA -1.452 60.635 62.100 -0.022 0.000 1.009 113 T CB 2.144 71.010 68.868 -0.005 0.000 1.203 113 T HN 0.120 nan 8.240 nan 0.000 0.518 114 P HA -0.057 nan 4.420 nan 0.000 0.216 114 P C 0.876 178.165 177.300 -0.019 0.000 1.153 114 P CA 1.128 64.205 63.100 -0.039 0.000 0.858 114 P CB -0.010 31.680 31.700 -0.017 0.000 0.789 115 D N -1.099 119.299 120.400 -0.003 0.000 2.183 115 D HA -0.102 4.538 4.640 -0.000 0.000 0.203 115 D C 0.819 177.123 176.300 0.008 0.000 0.969 115 D CA 1.185 55.191 54.000 0.009 0.000 0.842 115 D CB -0.191 40.615 40.800 0.011 0.000 0.957 115 D HN 0.212 nan 8.370 nan 0.000 0.484 116 E N 0.670 120.868 120.200 -0.002 0.000 3.167 116 E HA 0.206 4.556 4.350 -0.000 0.000 0.212 116 E C -2.655 173.935 176.600 -0.016 0.000 1.143 116 E CA -2.382 54.018 56.400 -0.001 0.000 1.002 116 E CB 1.016 30.719 29.700 0.005 0.000 1.315 116 E HN -0.056 nan 8.360 nan 0.000 0.422 117 P HA 0.166 nan 4.420 nan 0.000 0.275 117 P C -0.443 176.827 177.300 -0.049 0.000 1.228 117 P CA -0.212 62.844 63.100 -0.073 0.000 0.786 117 P CB 1.169 32.784 31.700 -0.141 0.000 0.927 118 K N 1.141 121.507 120.400 -0.056 0.000 2.619 118 K HA 0.289 4.608 4.320 -0.000 0.000 0.201 118 K C 0.933 177.504 176.600 -0.048 0.000 1.090 118 K CA -0.260 56.009 56.287 -0.029 0.000 1.063 118 K CB 1.095 33.598 32.500 0.005 0.000 0.810 118 K HN 0.547 nan 8.250 nan 0.000 0.506 119 G N 0.797 109.545 108.800 -0.086 0.000 3.075 119 G HA2 0.500 4.460 3.960 -0.000 0.000 0.156 119 G HA3 0.500 4.460 3.960 -0.000 0.000 0.156 119 G C -0.330 174.516 174.900 -0.090 0.000 1.403 119 G CA -0.197 44.840 45.100 -0.105 0.000 1.033 119 G HN 0.028 nan 8.290 nan 0.000 0.589 120 V N -3.392 116.454 119.914 -0.112 0.000 3.040 120 V HA 0.719 4.839 4.120 -0.000 0.000 0.312 120 V C -2.980 173.053 176.094 -0.102 0.000 1.115 120 V CA -2.657 59.593 62.300 -0.083 0.000 0.998 120 V CB 1.874 33.663 31.823 -0.057 0.000 1.042 120 V HN 0.423 nan 8.190 nan 0.000 0.433 121 P HA 0.347 nan 4.420 nan 0.000 0.265 121 P C -0.819 176.389 177.300 -0.155 0.000 1.222 121 P CA 0.232 63.251 63.100 -0.135 0.000 0.767 121 P CB 0.747 32.425 31.700 -0.037 0.000 0.801 122 V N 5.316 125.036 119.914 -0.324 0.000 2.588 122 V HA 0.451 4.571 4.120 -0.000 0.000 0.304 122 V C -0.551 175.295 176.094 -0.414 0.000 1.042 122 V CA -0.363 61.846 62.300 -0.151 0.000 0.877 122 V CB 1.534 33.331 31.823 -0.043 0.000 0.996 122 V HN 0.288 nan 8.190 nan 0.000 0.425 123 F N 3.319 123.398 119.950 0.215 0.000 2.564 123 F HA 0.826 5.353 4.527 -0.000 0.000 0.368 123 F C 0.293 176.261 175.800 0.282 0.000 1.127 123 F CA -0.401 57.779 58.000 0.300 0.000 1.170 123 F CB 1.606 40.671 39.000 0.109 0.000 1.397 123 F HN 0.590 nan 8.300 nan 0.000 0.493 124 A N 2.821 125.955 122.820 0.524 0.000 2.547 124 A HA 0.722 5.042 4.320 -0.000 0.000 0.298 124 A C -1.885 176.027 177.584 0.547 0.000 1.062 124 A CA -0.808 51.418 52.037 0.316 0.000 0.748 124 A CB 0.536 19.674 19.000 0.231 0.000 1.288 124 A HN 0.749 nan 8.150 nan 0.000 0.396 125 W N 1.295 122.708 121.300 0.189 0.000 3.042 125 W HA 0.758 5.418 4.660 -0.000 0.000 0.342 125 W C -0.739 175.893 176.519 0.189 0.000 1.240 125 W CA -0.931 56.516 57.345 0.171 0.000 1.166 125 W CB 1.024 30.578 29.460 0.157 0.000 1.469 125 W HN 0.699 nan 8.180 nan 0.000 0.579 126 K N 1.256 121.866 120.400 0.350 0.000 2.322 126 K HA 0.457 4.777 4.320 -0.000 0.000 0.283 126 K C 0.787 177.598 176.600 0.353 0.000 1.042 126 K CA 0.689 57.145 56.287 0.282 0.000 0.958 126 K CB 0.459 33.114 32.500 0.259 0.000 0.984 126 K HN 1.322 nan 8.250 nan 0.000 0.473 127 G N 2.893 111.917 108.800 0.374 0.000 2.165 127 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.226 127 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.226 127 G C -0.396 174.669 174.900 0.274 0.000 1.035 127 G CA -0.122 45.243 45.100 0.442 0.000 0.744 127 G HN 0.704 nan 8.290 nan 0.000 0.501 128 E N 0.843 121.012 120.200 -0.051 0.000 2.418 128 E HA 0.400 4.750 4.350 -0.000 0.000 0.261 128 E C 1.390 177.995 176.600 0.008 0.000 1.070 128 E CA 0.586 56.890 56.400 -0.161 0.000 0.931 128 E CB 0.532 29.950 29.700 -0.471 0.000 0.954 128 E HN 0.498 nan 8.360 nan 0.000 0.439 129 T N -0.842 113.777 114.554 0.108 0.000 2.816 129 T HA 0.180 4.529 4.350 -0.000 0.000 0.282 129 T C 1.397 176.154 174.700 0.096 0.000 0.993 129 T CA -0.705 61.460 62.100 0.108 0.000 0.994 129 T CB 0.512 69.471 68.868 0.152 0.000 1.025 129 T HN 0.401 nan 8.240 nan 0.000 0.529 130 L N 0.132 121.424 121.223 0.116 0.000 2.042 130 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 130 L C 2.914 180.004 176.870 0.367 0.000 1.076 130 L CA 1.607 56.570 54.840 0.204 0.000 0.749 130 L CB -0.731 41.451 42.059 0.206 0.000 0.893 130 L HN 0.713 nan 8.230 nan 0.000 0.432 131 E N 0.277 120.644 120.200 0.277 0.000 2.077 131 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 131 E C 2.102 178.900 176.600 0.329 0.000 0.989 131 E CA 1.162 57.739 56.400 0.294 0.000 0.800 131 E CB -0.093 29.722 29.700 0.192 0.000 0.746 131 E HN 0.450 nan 8.360 nan 0.000 0.452 132 E N -0.679 119.679 120.200 0.264 0.000 2.152 132 E HA -0.176 4.173 4.350 -0.000 0.000 0.192 132 E C 1.726 178.467 176.600 0.235 0.000 0.983 132 E CA 0.672 57.249 56.400 0.294 0.000 0.818 132 E CB -0.153 29.718 29.700 0.285 0.000 0.758 132 E HN 0.323 nan 8.360 nan 0.000 0.467 133 Y N -0.229 120.053 120.300 -0.030 0.000 2.145 133 Y HA -0.257 4.292 4.550 -0.000 0.000 0.286 133 Y C 1.530 177.282 175.900 -0.246 0.000 1.145 133 Y CA 1.689 59.648 58.100 -0.235 0.000 1.148 133 Y CB -0.366 37.878 38.460 -0.360 0.000 0.981 133 Y HN 0.055 nan 8.280 nan 0.000 0.507 134 W N -1.152 120.248 121.300 0.167 0.000 2.418 134 W HA -0.126 4.534 4.660 -0.000 0.000 0.292 134 W C 2.273 178.823 176.519 0.051 0.000 1.213 134 W CA 1.046 58.439 57.345 0.080 0.000 1.283 134 W CB -1.034 28.538 29.460 0.187 0.000 1.119 134 W HN 0.313 nan 8.180 nan 0.000 0.542 135 W N 1.308 122.697 121.300 0.148 0.000 2.335 135 W HA -0.262 4.397 4.660 -0.000 0.000 0.311 135 W C 2.360 178.858 176.519 -0.034 0.000 1.213 135 W CA 3.164 60.557 57.345 0.080 0.000 1.274 135 W CB -0.750 28.782 29.460 0.120 0.000 1.148 135 W HN -0.143 nan 8.180 nan 0.000 0.498 136 A N 0.703 123.593 122.820 0.118 0.000 1.933 136 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 136 A C 2.099 179.426 177.584 -0.429 0.000 1.175 136 A CA 2.531 54.450 52.037 -0.196 0.000 0.628 136 A CB -1.546 17.510 19.000 0.094 0.000 0.814 136 A HN 0.476 nan 8.150 nan 0.000 0.444 137 A N -0.370 122.186 122.820 -0.441 0.000 1.902 137 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 137 A C 2.026 179.478 177.584 -0.219 0.000 1.181 137 A CA 1.861 53.663 52.037 -0.392 0.000 0.623 137 A CB -0.535 18.208 19.000 -0.428 0.000 0.818 137 A HN 0.671 nan 8.150 nan 0.000 0.443 138 E N -0.742 119.358 120.200 -0.166 0.000 2.077 138 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 138 E C 2.175 178.547 176.600 -0.381 0.000 0.989 138 E CA 1.160 57.503 56.400 -0.095 0.000 0.800 138 E CB -0.111 29.576 29.700 -0.023 0.000 0.746 138 E HN 0.561 nan 8.360 nan 0.000 0.452 139 Q N 0.244 119.562 119.800 -0.803 0.000 2.077 139 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 139 Q C 2.181 177.615 176.000 -0.944 0.000 0.989 139 Q CA 1.542 56.622 55.803 -1.204 0.000 0.853 139 Q CB -0.570 26.796 28.738 -2.287 0.000 0.907 139 Q HN 0.439 nan 8.270 nan 0.000 0.418 140 M N 0.101 119.282 119.600 -0.698 0.000 2.213 140 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 140 M C 1.602 177.759 176.300 -0.237 0.000 1.062 140 M CA 1.399 56.489 55.300 -0.351 0.000 1.105 140 M CB -0.244 32.219 32.600 -0.229 0.000 1.385 140 M HN 0.181 nan 8.290 nan 0.000 0.417 141 L N -0.166 120.975 121.223 -0.137 0.000 2.567 141 L HA 0.051 4.390 4.340 -0.000 0.000 0.225 141 L C 0.137 177.068 176.870 0.103 0.000 1.119 141 L CA 0.176 55.063 54.840 0.079 0.000 0.871 141 L CB 0.086 42.294 42.059 0.249 0.000 1.036 141 L HN 0.094 nan 8.230 nan 0.000 0.459 142 T N -0.205 114.288 114.554 -0.102 0.000 2.929 142 T HA 0.185 4.535 4.350 -0.000 0.000 0.331 142 T C -0.702 173.943 174.700 -0.090 0.000 1.120 142 T CA -0.438 61.600 62.100 -0.103 0.000 0.973 142 T CB 0.040 68.778 68.868 -0.218 0.000 1.036 142 T HN 0.017 nan 8.240 nan 0.000 0.502 143 W N 4.130 125.358 121.300 -0.120 0.000 2.161 143 W HA 0.296 4.956 4.660 -0.001 0.000 0.344 143 W C -0.938 175.538 176.519 -0.072 0.000 1.262 143 W CA -1.778 55.520 57.345 -0.078 0.000 1.270 143 W CB 0.356 29.776 29.460 -0.066 0.000 1.126 143 W HN 0.387 nan 8.180 nan 0.000 0.598 144 P HA -0.139 nan 4.420 nan 0.000 0.219 144 P C 0.055 177.398 177.300 0.072 0.000 1.150 144 P CA 1.318 64.457 63.100 0.065 0.000 0.814 144 P CB 0.254 31.987 31.700 0.055 0.000 0.787 145 D N 1.112 121.578 120.400 0.111 0.000 2.339 145 D HA 0.088 4.728 4.640 -0.000 0.000 0.241 145 D C -1.337 174.985 176.300 0.036 0.000 1.183 145 D CA -2.485 51.551 54.000 0.061 0.000 0.859 145 D CB 1.081 41.917 40.800 0.061 0.000 1.067 145 D HN 0.019 nan 8.370 nan 0.000 0.484 146 P HA -0.105 nan 4.420 nan 0.000 0.223 146 P C 0.196 177.482 177.300 -0.023 0.000 1.144 146 P CA 0.769 63.858 63.100 -0.018 0.000 0.783 146 P CB 0.547 32.229 31.700 -0.030 0.000 0.771 147 D N -0.650 119.742 120.400 -0.013 0.000 2.349 147 D HA 0.073 4.713 4.640 -0.000 0.000 0.214 147 D C 0.588 176.871 176.300 -0.028 0.000 1.063 147 D CA 0.495 54.483 54.000 -0.020 0.000 0.847 147 D CB 0.226 41.018 40.800 -0.013 0.000 0.933 147 D HN 0.226 nan 8.370 nan 0.000 0.513 148 K N 1.256 121.639 120.400 -0.029 0.000 3.084 148 K HA 0.259 4.579 4.320 -0.000 0.000 0.172 148 K C -2.713 173.816 176.600 -0.117 0.000 1.078 148 K CA -1.387 54.858 56.287 -0.070 0.000 0.875 148 K CB 2.191 34.665 32.500 -0.044 0.000 1.064 148 K HN -0.026 nan 8.250 nan 0.000 0.597 149 P HA -0.021 nan 4.420 nan 0.000 0.274 149 P C -0.259 176.773 177.300 -0.447 0.000 1.260 149 P CA -0.367 62.642 63.100 -0.153 0.000 0.793 149 P CB 0.491 32.131 31.700 -0.100 0.000 1.048 150 A N 1.673 124.209 122.820 -0.474 0.000 2.587 150 A HA -0.004 4.316 4.320 -0.000 0.000 0.235 150 A C 0.945 178.283 177.584 -0.410 0.000 1.044 150 A CA 0.440 52.097 52.037 -0.633 0.000 0.754 150 A CB -0.816 18.118 19.000 -0.110 0.000 0.968 150 A HN 0.739 nan 8.150 nan 0.000 0.509 151 N N 0.777 119.209 118.700 -0.448 0.000 2.171 151 N HA 0.185 4.925 4.740 -0.000 0.000 0.212 151 N C -0.370 175.034 175.510 -0.177 0.000 1.184 151 N CA 0.103 53.016 53.050 -0.228 0.000 0.888 151 N CB 0.415 38.856 38.487 -0.078 0.000 1.038 151 N HN 0.458 nan 8.380 nan 0.000 0.517 152 M N 0.536 119.975 119.600 -0.268 0.000 2.520 152 M HA 0.455 4.935 4.480 -0.000 0.000 0.283 152 M C -1.421 174.742 176.300 -0.229 0.000 1.237 152 M CA -0.434 54.728 55.300 -0.229 0.000 0.885 152 M CB 2.528 35.000 32.600 -0.213 0.000 1.727 152 M HN -0.127 nan 8.290 nan 0.000 0.468 153 I N 2.131 122.558 120.570 -0.238 0.000 2.509 153 I HA 0.548 4.718 4.170 -0.000 0.000 0.293 153 I C -1.044 174.975 176.117 -0.164 0.000 1.020 153 I CA -0.853 60.328 61.300 -0.199 0.000 1.088 153 I CB 2.657 40.535 38.000 -0.204 0.000 1.267 153 I HN 0.536 nan 8.210 nan 0.000 0.430 154 L N 5.653 126.761 121.223 -0.192 0.000 2.342 154 L HA 0.549 4.888 4.340 -0.000 0.000 0.276 154 L C -1.522 175.226 176.870 -0.204 0.000 0.997 154 L CA -0.185 54.559 54.840 -0.160 0.000 0.838 154 L CB 1.045 43.036 42.059 -0.113 0.000 1.224 154 L HN 0.521 nan 8.230 nan 0.000 0.416 155 D N 2.705 123.036 120.400 -0.115 0.000 2.527 155 D HA 0.380 5.020 4.640 -0.000 0.000 0.233 155 D C -1.672 174.584 176.300 -0.073 0.000 1.063 155 D CA -0.103 53.832 54.000 -0.108 0.000 0.880 155 D CB 2.587 43.357 40.800 -0.051 0.000 1.457 155 D HN 0.449 nan 8.370 nan 0.000 0.475 156 D N 0.785 121.128 120.400 -0.095 0.000 2.402 156 D HA 0.468 5.108 4.640 -0.000 0.000 0.252 156 D C 0.666 176.829 176.300 -0.228 0.000 1.294 156 D CA -0.090 53.844 54.000 -0.110 0.000 0.948 156 D CB 0.444 41.208 40.800 -0.060 0.000 1.202 156 D HN 0.564 nan 8.370 nan 0.000 0.561 157 G N 2.152 110.710 108.800 -0.403 0.000 2.218 157 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.216 157 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.216 157 G C 1.075 175.904 174.900 -0.119 0.000 0.994 157 G CA 0.422 45.092 45.100 -0.716 0.000 0.637 157 G HN 1.598 nan 8.290 nan 0.000 0.505 158 G N -0.275 108.518 108.800 -0.012 0.000 2.143 158 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.248 158 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.248 158 G C 0.670 175.706 174.900 0.227 0.000 0.991 158 G CA 1.172 46.345 45.100 0.122 0.000 0.689 158 G HN 0.636 nan 8.290 nan 0.000 0.522 159 D N 0.144 120.690 120.400 0.242 0.000 2.149 159 D HA 0.183 4.822 4.640 -0.000 0.000 0.201 159 D C 2.654 179.150 176.300 0.326 0.000 0.972 159 D CA 1.575 55.801 54.000 0.376 0.000 0.835 159 D CB -0.411 40.594 40.800 0.342 0.000 0.966 159 D HN 0.640 nan 8.370 nan 0.000 0.476 160 A N 0.051 122.958 122.820 0.145 0.000 1.873 160 A HA -0.141 4.178 4.320 -0.000 0.000 0.215 160 A C 2.332 179.994 177.584 0.130 0.000 1.186 160 A CA 2.046 54.136 52.037 0.088 0.000 0.616 160 A CB -0.935 18.041 19.000 -0.041 0.000 0.823 160 A HN 0.207 nan 8.150 nan 0.000 0.442 161 T N -0.183 114.457 114.554 0.143 0.000 2.788 161 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 161 T C 1.930 176.707 174.700 0.129 0.000 1.044 161 T CA 1.692 63.892 62.100 0.166 0.000 1.139 161 T CB -0.308 68.675 68.868 0.192 0.000 0.867 161 T HN 0.501 nan 8.240 nan 0.000 0.454 162 M N 0.406 120.157 119.600 0.253 0.000 2.086 162 M HA -0.059 4.421 4.480 -0.000 0.000 0.261 162 M C 2.149 178.595 176.300 0.243 0.000 1.067 162 M CA 1.487 56.977 55.300 0.317 0.000 1.116 162 M CB -0.234 32.551 32.600 0.308 0.000 1.348 162 M HN 0.203 nan 8.290 nan 0.000 0.407 163 L N -0.026 121.345 121.223 0.246 0.000 2.046 163 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 163 L C 2.109 178.709 176.870 -0.450 0.000 1.077 163 L CA 1.547 56.347 54.840 -0.066 0.000 0.747 163 L CB -0.593 41.427 42.059 -0.066 0.000 0.896 163 L HN 0.172 nan 8.230 nan 0.000 0.432 164 V N -0.598 119.209 119.914 -0.179 0.000 2.270 164 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 164 V C 2.463 178.526 176.094 -0.052 0.000 1.043 164 V CA 1.976 64.268 62.300 -0.014 0.000 1.014 164 V CB -0.502 31.448 31.823 0.212 0.000 0.645 164 V HN 0.395 nan 8.190 nan 0.000 0.447 165 L N -0.748 120.396 121.223 -0.133 0.000 2.056 165 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 165 L C 2.848 179.580 176.870 -0.231 0.000 1.078 165 L CA 1.232 55.901 54.840 -0.285 0.000 0.749 165 L CB -0.572 41.028 42.059 -0.766 0.000 0.901 165 L HN 0.232 nan 8.230 nan 0.000 0.433 166 R N 0.162 120.558 120.500 -0.173 0.000 2.115 166 R HA -0.034 4.306 4.340 -0.000 0.000 0.226 166 R C 2.254 178.226 176.300 -0.547 0.000 1.100 166 R CA 1.221 57.123 56.100 -0.330 0.000 0.980 166 R CB -0.940 29.355 30.300 -0.008 0.000 0.875 166 R HN 0.377 nan 8.270 nan 0.000 0.445 167 G N 1.032 109.577 108.800 -0.426 0.000 2.418 167 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.217 167 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.217 167 G C 1.503 176.381 174.900 -0.036 0.000 1.158 167 G CA 0.688 45.540 45.100 -0.414 0.000 0.771 167 G HN 0.273 nan 8.290 nan 0.000 0.545 168 M N -0.097 119.497 119.600 -0.009 0.000 2.200 168 M HA 0.032 4.512 4.480 -0.000 0.000 0.265 168 M C 2.581 178.856 176.300 -0.041 0.000 1.066 168 M CA 1.657 56.994 55.300 0.062 0.000 1.127 168 M CB -0.121 32.511 32.600 0.053 0.000 1.379 168 M HN 0.372 nan 8.290 nan 0.000 0.420 169 Q N -0.363 119.329 119.800 -0.180 0.000 2.061 169 Q HA -0.223 4.116 4.340 -0.000 0.000 0.204 169 Q C 1.629 177.553 176.000 -0.127 0.000 0.984 169 Q CA 2.106 57.788 55.803 -0.201 0.000 0.846 169 Q CB -0.275 28.251 28.738 -0.354 0.000 0.902 169 Q HN 0.634 nan 8.270 nan 0.000 0.421 170 Y N 1.068 121.312 120.300 -0.093 0.000 2.242 170 Y HA -0.107 4.442 4.550 -0.000 0.000 0.291 170 Y C 2.103 177.804 175.900 -0.332 0.000 1.137 170 Y CA 1.127 59.099 58.100 -0.213 0.000 1.181 170 Y CB -0.493 37.799 38.460 -0.279 0.000 0.989 170 Y HN 0.255 nan 8.280 nan 0.000 0.527 171 E N 0.378 120.527 120.200 -0.084 0.000 2.058 171 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 171 E C 2.078 178.727 176.600 0.083 0.000 0.997 171 E CA 1.477 57.890 56.400 0.021 0.000 0.801 171 E CB -0.160 29.660 29.700 0.201 0.000 0.746 171 E HN 0.443 nan 8.360 nan 0.000 0.450 172 K N 0.160 120.593 120.400 0.056 0.000 2.097 172 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 172 K C 2.074 178.708 176.600 0.057 0.000 1.050 172 K CA 0.933 57.256 56.287 0.059 0.000 0.938 172 K CB -0.036 32.486 32.500 0.036 0.000 0.718 172 K HN 0.041 nan 8.250 nan 0.000 0.442 173 A N 0.518 123.364 122.820 0.043 0.000 2.119 173 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 173 A C 1.567 179.180 177.584 0.048 0.000 1.153 173 A CA 1.169 53.235 52.037 0.048 0.000 0.692 173 A CB -0.539 18.504 19.000 0.071 0.000 0.799 173 A HN 0.444 nan 8.150 nan 0.000 0.458 174 G N -2.098 106.733 108.800 0.053 0.000 2.155 174 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.257 174 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.257 174 G C 0.178 175.138 174.900 0.100 0.000 0.983 174 G CA 0.690 45.889 45.100 0.166 0.000 0.676 174 G HN 1.688 nan 8.290 nan 0.000 0.528 175 V N -0.559 119.256 119.914 -0.164 0.000 2.950 175 V HA 0.539 4.659 4.120 -0.000 0.000 0.295 175 V C -0.356 175.535 176.094 -0.337 0.000 1.297 175 V CA -0.508 61.686 62.300 -0.177 0.000 0.962 175 V CB 2.265 34.069 31.823 -0.033 0.000 1.081 175 V HN 0.640 nan 8.190 nan 0.000 0.432 176 V N 9.037 128.703 119.914 -0.413 0.000 2.408 176 V HA 0.374 4.494 4.120 -0.000 0.000 0.267 176 V C -1.798 174.016 176.094 -0.466 0.000 1.047 176 V CA -1.241 60.693 62.300 -0.609 0.000 0.937 176 V CB 1.102 32.622 31.823 -0.505 0.000 0.999 176 V HN 0.840 nan 8.190 nan 0.000 0.472 177 P HA 0.155 nan 4.420 nan 0.000 0.267 177 P C -2.503 174.676 177.300 -0.203 0.000 1.200 177 P CA -1.022 61.919 63.100 -0.265 0.000 0.772 177 P CB -0.157 31.439 31.700 -0.174 0.000 0.855 178 P HA 0.114 nan 4.420 nan 0.000 0.272 178 P C -0.450 176.839 177.300 -0.018 0.000 1.223 178 P CA -0.036 63.024 63.100 -0.066 0.000 0.784 178 P CB 0.480 32.161 31.700 -0.031 0.000 0.923 179 A N 2.251 125.067 122.820 -0.007 0.000 2.286 179 A HA 0.322 4.642 4.320 -0.000 0.000 0.286 179 A C 0.368 178.000 177.584 0.080 0.000 1.097 179 A CA -0.535 51.555 52.037 0.089 0.000 0.821 179 A CB 0.142 19.180 19.000 0.063 0.000 1.076 179 A HN 0.499 nan 8.150 nan 0.000 0.490 180 E N 0.813 121.079 120.200 0.110 0.000 2.331 180 E HA 0.078 4.427 4.350 -0.000 0.000 0.272 180 E C 0.875 177.510 176.600 0.058 0.000 1.036 180 E CA 0.058 56.496 56.400 0.062 0.000 0.864 180 E CB 0.864 30.592 29.700 0.047 0.000 1.035 180 E HN 0.809 nan 8.360 nan 0.000 0.408 181 E N 1.767 121.989 120.200 0.037 0.000 2.147 181 E HA -0.260 4.089 4.350 -0.000 0.000 0.199 181 E C 0.469 177.090 176.600 0.034 0.000 1.005 181 E CA 1.698 58.118 56.400 0.032 0.000 0.810 181 E CB -0.079 29.634 29.700 0.021 0.000 0.736 181 E HN 0.393 nan 8.360 nan 0.000 0.460 182 D N 0.704 121.121 120.400 0.028 0.000 2.342 182 D HA 0.047 4.687 4.640 -0.000 0.000 0.221 182 D C -0.320 175.993 176.300 0.021 0.000 1.101 182 D CA -0.294 53.717 54.000 0.018 0.000 0.837 182 D CB -0.201 40.600 40.800 0.002 0.000 0.938 182 D HN -0.054 nan 8.370 nan 0.000 0.508 183 D N 2.315 122.747 120.400 0.054 0.000 2.382 183 D HA 0.154 4.794 4.640 -0.000 0.000 0.240 183 D C -2.004 174.348 176.300 0.088 0.000 1.146 183 D CA -1.088 52.961 54.000 0.081 0.000 0.897 183 D CB 0.655 41.598 40.800 0.238 0.000 1.197 183 D HN 0.081 nan 8.370 nan 0.000 0.432 184 P HA 0.063 nan 4.420 nan 0.000 0.269 184 P C 0.090 177.465 177.300 0.125 0.000 1.215 184 P CA -0.239 62.903 63.100 0.070 0.000 0.780 184 P CB 0.583 32.303 31.700 0.033 0.000 0.898 185 A N 2.200 125.075 122.820 0.093 0.000 1.948 185 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 185 A C 2.148 179.801 177.584 0.116 0.000 1.177 185 A CA 2.047 54.141 52.037 0.095 0.000 0.636 185 A CB -1.221 17.828 19.000 0.083 0.000 0.815 185 A HN 0.701 nan 8.150 nan 0.000 0.449 186 E N -1.396 118.886 120.200 0.137 0.000 2.152 186 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 186 E C 1.873 178.563 176.600 0.150 0.000 0.983 186 E CA 0.720 57.228 56.400 0.180 0.000 0.818 186 E CB -0.278 29.543 29.700 0.201 0.000 0.758 186 E HN 0.828 nan 8.360 nan 0.000 0.467 187 W N 1.820 123.098 121.300 -0.036 0.000 2.358 187 W HA -0.198 4.461 4.660 -0.000 0.000 0.303 187 W C 1.544 178.058 176.519 -0.008 0.000 1.208 187 W CA 1.340 58.650 57.345 -0.058 0.000 1.274 187 W CB 0.059 29.471 29.460 -0.080 0.000 1.138 187 W HN 0.018 nan 8.180 nan 0.000 0.515 188 K N -0.052 120.338 120.400 -0.017 0.000 2.057 188 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 188 K C 1.806 178.320 176.600 -0.144 0.000 1.049 188 K CA 1.687 57.917 56.287 -0.095 0.000 0.931 188 K CB -0.686 31.817 32.500 0.005 0.000 0.714 188 K HN 0.022 nan 8.250 nan 0.000 0.440 189 V N 1.241 121.111 119.914 -0.073 0.000 2.295 189 V HA -0.250 3.869 4.120 -0.000 0.000 0.246 189 V C 2.004 177.942 176.094 -0.260 0.000 1.049 189 V CA 1.773 64.038 62.300 -0.059 0.000 1.024 189 V CB -0.499 31.395 31.823 0.119 0.000 0.648 189 V HN 0.221 nan 8.190 nan 0.000 0.447 190 F N 0.353 119.903 119.950 -0.667 0.000 2.075 190 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 190 F C 2.106 177.456 175.800 -0.750 0.000 1.113 190 F CA 1.790 59.182 58.000 -1.014 0.000 1.218 190 F CB -0.293 37.976 39.000 -1.217 0.000 0.984 190 F HN 0.003 nan 8.300 nan 0.000 0.472 191 L N 0.173 120.952 121.223 -0.741 0.000 2.083 191 L HA -0.256 4.083 4.340 -0.000 0.000 0.209 191 L C 2.234 178.833 176.870 -0.450 0.000 1.083 191 L CA 1.197 55.623 54.840 -0.689 0.000 0.752 191 L CB -0.942 40.728 42.059 -0.649 0.000 0.899 191 L HN 0.200 nan 8.230 nan 0.000 0.433 192 N N 0.417 118.925 118.700 -0.321 0.000 2.104 192 N HA -0.225 4.515 4.740 -0.000 0.000 0.190 192 N C 1.842 177.260 175.510 -0.154 0.000 1.024 192 N CA 1.261 54.207 53.050 -0.174 0.000 0.853 192 N CB -0.399 38.030 38.487 -0.097 0.000 1.008 192 N HN 0.263 nan 8.380 nan 0.000 0.424 193 L N 0.618 121.715 121.223 -0.209 0.000 2.017 193 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 193 L C 2.074 178.877 176.870 -0.111 0.000 1.073 193 L CA 1.138 55.905 54.840 -0.122 0.000 0.745 193 L CB -0.232 41.739 42.059 -0.147 0.000 0.894 193 L HN 0.118 nan 8.230 nan 0.000 0.432 194 L N -0.748 120.302 121.223 -0.288 0.000 2.056 194 L HA -0.207 4.132 4.340 -0.000 0.000 0.207 194 L C 2.827 179.680 176.870 -0.028 0.000 1.078 194 L CA 1.313 56.047 54.840 -0.177 0.000 0.749 194 L CB -0.493 41.317 42.059 -0.414 0.000 0.901 194 L HN 0.278 nan 8.230 nan 0.000 0.433 195 R N -0.471 119.958 120.500 -0.118 0.000 2.081 195 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 195 R C 2.226 178.567 176.300 0.067 0.000 1.131 195 R CA 1.989 58.066 56.100 -0.037 0.000 0.960 195 R CB -0.173 30.065 30.300 -0.104 0.000 0.856 195 R HN 0.282 nan 8.270 nan 0.000 0.436 196 T N 0.160 114.734 114.554 0.033 0.000 2.777 196 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 196 T C 1.695 176.447 174.700 0.085 0.000 1.040 196 T CA 1.439 63.571 62.100 0.053 0.000 1.141 196 T CB -0.205 68.686 68.868 0.040 0.000 0.868 196 T HN 0.175 nan 8.240 nan 0.000 0.444 197 R N 0.719 121.294 120.500 0.125 0.000 2.115 197 R HA 0.096 4.435 4.340 -0.000 0.000 0.226 197 R C 1.818 178.215 176.300 0.161 0.000 1.100 197 R CA 0.923 57.103 56.100 0.134 0.000 0.980 197 R CB -1.084 29.349 30.300 0.221 0.000 0.875 197 R HN 0.358 nan 8.270 nan 0.000 0.445 198 F N 1.516 121.499 119.950 0.054 0.000 2.365 198 F HA -0.008 4.519 4.527 -0.000 0.000 0.300 198 F C 1.533 177.342 175.800 0.015 0.000 1.090 198 F CA 1.338 59.366 58.000 0.046 0.000 1.408 198 F CB -0.031 39.000 39.000 0.051 0.000 1.060 198 F HN 0.165 nan 8.300 nan 0.000 0.534 199 E N -0.892 119.305 120.200 -0.005 0.000 2.110 199 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 199 E C 1.840 178.361 176.600 -0.131 0.000 0.988 199 E CA 1.844 58.194 56.400 -0.082 0.000 0.804 199 E CB -0.124 29.572 29.700 -0.008 0.000 0.745 199 E HN 0.499 nan 8.360 nan 0.000 0.458 200 T N -2.992 111.503 114.554 -0.097 0.000 2.975 200 T HA 0.067 4.417 4.350 -0.000 0.000 0.257 200 T C 0.071 174.706 174.700 -0.109 0.000 1.003 200 T CA -0.362 61.683 62.100 -0.092 0.000 0.932 200 T CB 0.687 69.524 68.868 -0.051 0.000 1.087 200 T HN -0.150 nan 8.240 nan 0.000 0.512 201 D N 0.397 120.726 120.400 -0.118 0.000 2.616 201 D HA 0.331 4.971 4.640 -0.000 0.000 0.238 201 D C 0.249 176.497 176.300 -0.087 0.000 1.354 201 D CA -0.461 53.474 54.000 -0.109 0.000 0.970 201 D CB 1.828 42.560 40.800 -0.113 0.000 1.369 201 D HN -0.220 nan 8.370 nan 0.000 0.585 202 K N 1.534 121.868 120.400 -0.109 0.000 2.356 202 K HA 0.075 4.395 4.320 -0.000 0.000 0.195 202 K C 0.525 177.214 176.600 0.149 0.000 1.037 202 K CA 0.486 56.737 56.287 -0.060 0.000 1.014 202 K CB 0.569 32.984 32.500 -0.142 0.000 0.815 202 K HN 0.508 nan 8.250 nan 0.000 0.507 203 D N -0.770 119.659 120.400 0.048 0.000 2.620 203 D HA 0.017 4.657 4.640 -0.000 0.000 0.260 203 D C 1.117 177.404 176.300 -0.022 0.000 1.367 203 D CA -0.237 53.798 54.000 0.058 0.000 0.805 203 D CB 0.192 41.019 40.800 0.045 0.000 1.096 203 D HN -0.098 nan 8.370 nan 0.000 0.488 204 K N 0.389 120.709 120.400 -0.133 0.000 1.991 204 K HA -0.170 4.150 4.320 -0.000 0.000 0.212 204 K C 1.126 177.521 176.600 -0.341 0.000 1.049 204 K CA 1.687 57.753 56.287 -0.370 0.000 0.932 204 K CB -0.203 31.882 32.500 -0.692 0.000 0.717 204 K HN 0.203 nan 8.250 nan 0.000 0.441 205 W N 0.763 122.088 121.300 0.042 0.000 2.402 205 W HA -0.085 4.574 4.660 -0.000 0.000 0.286 205 W C 2.340 178.877 176.519 0.030 0.000 1.221 205 W CA 0.959 58.320 57.345 0.028 0.000 1.257 205 W CB -0.485 28.982 29.460 0.013 0.000 1.120 205 W HN 0.139 nan 8.180 nan 0.000 0.551 206 T N 0.543 115.216 114.554 0.198 0.000 2.746 206 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 206 T C 1.617 176.369 174.700 0.086 0.000 1.039 206 T CA 1.395 63.571 62.100 0.127 0.000 1.142 206 T CB -0.231 68.696 68.868 0.099 0.000 0.866 206 T HN 0.141 nan 8.240 nan 0.000 0.444 207 K N 0.469 120.894 120.400 0.041 0.000 2.097 207 K HA 0.079 4.399 4.320 -0.000 0.000 0.205 207 K C 2.241 178.850 176.600 0.016 0.000 1.050 207 K CA 0.877 57.171 56.287 0.012 0.000 0.938 207 K CB -0.293 32.190 32.500 -0.029 0.000 0.718 207 K HN 0.335 nan 8.250 nan 0.000 0.442 208 I N 1.168 121.756 120.570 0.030 0.000 2.142 208 I HA -0.295 3.874 4.170 -0.000 0.000 0.240 208 I C 2.535 178.705 176.117 0.088 0.000 1.078 208 I CA 1.210 62.540 61.300 0.050 0.000 1.343 208 I CB -0.379 37.689 38.000 0.112 0.000 1.046 208 I HN 0.124 nan 8.210 nan 0.000 0.405 209 A N 0.423 123.351 122.820 0.180 0.000 1.908 209 A HA -0.256 4.063 4.320 -0.000 0.000 0.218 209 A C 2.171 179.893 177.584 0.231 0.000 1.181 209 A CA 1.921 54.132 52.037 0.289 0.000 0.627 209 A CB -0.689 18.464 19.000 0.255 0.000 0.818 209 A HN 0.502 nan 8.150 nan 0.000 0.445 210 E N -0.667 119.609 120.200 0.127 0.000 2.204 210 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 210 E C 2.102 178.733 176.600 0.052 0.000 0.989 210 E CA 1.064 57.517 56.400 0.088 0.000 0.824 210 E CB -0.132 29.599 29.700 0.052 0.000 0.756 210 E HN 0.600 nan 8.360 nan 0.000 0.477 211 S N 0.286 115.996 115.700 0.017 0.000 2.425 211 S HA -0.016 4.454 4.470 -0.000 0.000 0.225 211 S C 0.906 175.472 174.600 -0.056 0.000 1.024 211 S CA -0.071 58.112 58.200 -0.027 0.000 0.951 211 S CB 0.245 63.406 63.200 -0.065 0.000 0.796 211 S HN -0.064 nan 8.310 nan 0.000 0.498 212 V N 3.215 123.066 119.914 -0.106 0.000 2.479 212 V HA 0.149 4.269 4.120 -0.000 0.000 0.281 212 V C 0.936 176.916 176.094 -0.191 0.000 1.031 212 V CA 0.368 62.498 62.300 -0.282 0.000 1.038 212 V CB 1.081 32.496 31.823 -0.679 0.000 0.981 212 V HN 0.400 nan 8.190 nan 0.000 0.478 213 K N 3.204 123.542 120.400 -0.103 0.000 2.356 213 K HA 0.347 4.667 4.320 -0.000 0.000 0.195 213 K C 0.760 177.346 176.600 -0.023 0.000 1.037 213 K CA 0.634 56.917 56.287 -0.008 0.000 1.014 213 K CB 0.666 33.197 32.500 0.052 0.000 0.815 213 K HN 0.878 nan 8.250 nan 0.000 0.507 214 G N 0.205 108.921 108.800 -0.139 0.000 2.387 214 G HA2 0.309 4.269 3.960 -0.000 0.000 0.294 214 G HA3 0.309 4.269 3.960 -0.000 0.000 0.294 214 G C -2.168 172.621 174.900 -0.185 0.000 1.509 214 G CA -0.628 44.418 45.100 -0.091 0.000 0.806 214 G HN -0.087 nan 8.290 nan 0.000 0.546 215 V N 0.140 120.035 119.914 -0.033 0.000 2.823 215 V HA 0.906 5.026 4.120 -0.000 0.000 0.312 215 V C 0.061 176.150 176.094 -0.009 0.000 1.072 215 V CA 0.172 62.446 62.300 -0.044 0.000 0.937 215 V CB 2.234 34.102 31.823 0.075 0.000 1.013 215 V HN 1.571 nan 8.190 nan 0.000 0.430 216 T N 2.309 116.845 114.554 -0.031 0.000 2.823 216 T HA 0.760 5.110 4.350 -0.000 0.000 0.279 216 T C -0.741 173.957 174.700 -0.004 0.000 0.998 216 T CA -0.542 61.551 62.100 -0.011 0.000 0.994 216 T CB 1.591 70.450 68.868 -0.015 0.000 0.960 216 T HN 0.823 nan 8.240 nan 0.000 0.448 217 E N 1.213 121.418 120.200 0.007 0.000 2.224 217 E HA 0.300 4.650 4.350 -0.000 0.000 0.265 217 E C 0.336 176.941 176.600 0.009 0.000 0.878 217 E CA -0.638 55.760 56.400 -0.004 0.000 0.759 217 E CB 1.826 31.516 29.700 -0.018 0.000 1.164 217 E HN 0.694 nan 8.360 nan 0.000 0.414 218 E N 2.723 122.931 120.200 0.014 0.000 2.415 218 E HA 0.065 4.415 4.350 -0.000 0.000 0.197 218 E C -0.385 176.236 176.600 0.034 0.000 1.007 218 E CA 0.418 56.856 56.400 0.063 0.000 0.890 218 E CB 0.676 30.459 29.700 0.138 0.000 0.891 218 E HN 0.482 nan 8.360 nan 0.000 0.496 219 T N -1.194 113.342 114.554 -0.029 0.000 2.907 219 T HA 0.237 4.587 4.350 -0.000 0.000 0.292 219 T C 0.811 175.476 174.700 -0.058 0.000 1.043 219 T CA -0.314 61.757 62.100 -0.049 0.000 1.003 219 T CB 1.751 70.560 68.868 -0.098 0.000 1.084 219 T HN -0.120 nan 8.240 nan 0.000 0.483 220 T N 2.018 116.558 114.554 -0.023 0.000 2.720 220 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 220 T C 2.010 176.703 174.700 -0.012 0.000 1.037 220 T CA 2.093 64.195 62.100 0.003 0.000 1.144 220 T CB -0.487 68.392 68.868 0.018 0.000 0.864 220 T HN 0.694 nan 8.240 nan 0.000 0.444 221 T N 1.254 115.771 114.554 -0.061 0.000 2.684 221 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 221 T C 2.319 176.985 174.700 -0.056 0.000 1.036 221 T CA 1.420 63.489 62.100 -0.052 0.000 1.148 221 T CB -0.886 67.924 68.868 -0.096 0.000 0.863 221 T HN 0.562 nan 8.240 nan 0.000 0.436 222 G N 0.570 109.278 108.800 -0.153 0.000 2.408 222 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.217 222 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.217 222 G C 1.680 176.548 174.900 -0.053 0.000 1.150 222 G CA 0.664 45.712 45.100 -0.088 0.000 0.776 222 G HN 0.439 nan 8.290 nan 0.000 0.542 223 V N 0.622 120.495 119.914 -0.069 0.000 2.453 223 V HA -0.084 4.036 4.120 -0.000 0.000 0.247 223 V C 2.635 178.672 176.094 -0.096 0.000 1.048 223 V CA 1.365 63.583 62.300 -0.137 0.000 1.049 223 V CB -0.270 31.506 31.823 -0.079 0.000 0.672 223 V HN 0.355 nan 8.190 nan 0.000 0.457 224 L N 0.693 121.948 121.223 0.054 0.000 2.013 224 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 224 L C 2.542 179.440 176.870 0.046 0.000 1.073 224 L CA 2.050 56.963 54.840 0.122 0.000 0.753 224 L CB -0.729 41.378 42.059 0.081 0.000 0.890 224 L HN 0.209 nan 8.230 nan 0.000 0.432 225 R N -1.015 119.480 120.500 -0.008 0.000 2.115 225 R HA -0.090 4.250 4.340 -0.000 0.000 0.230 225 R C 2.307 178.566 176.300 -0.069 0.000 1.111 225 R CA 1.441 57.490 56.100 -0.086 0.000 0.976 225 R CB -0.427 29.854 30.300 -0.032 0.000 0.870 225 R HN 0.395 nan 8.270 nan 0.000 0.445 226 L N -0.681 120.542 121.223 0.000 0.000 2.056 226 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 226 L C 2.048 178.921 176.870 0.006 0.000 1.078 226 L CA 1.234 56.094 54.840 0.034 0.000 0.749 226 L CB -0.438 41.538 42.059 -0.137 0.000 0.901 226 L HN 0.163 nan 8.230 nan 0.000 0.433 227 Y N 0.515 120.834 120.300 0.031 0.000 2.181 227 Y HA -0.275 4.275 4.550 -0.001 0.000 0.288 227 Y C 2.780 178.664 175.900 -0.027 0.000 1.146 227 Y CA 1.097 59.198 58.100 0.003 0.000 1.164 227 Y CB -0.717 37.738 38.460 -0.008 0.000 0.982 227 Y HN 0.257 nan 8.280 nan 0.000 0.515 228 Q N -1.354 118.476 119.800 0.049 0.000 2.084 228 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 228 Q C 2.062 177.990 176.000 -0.119 0.000 0.978 228 Q CA 1.603 57.354 55.803 -0.088 0.000 0.844 228 Q CB -0.461 28.157 28.738 -0.201 0.000 0.898 228 Q HN 0.375 nan 8.270 nan 0.000 0.426 229 F N 0.745 120.689 119.950 -0.011 0.000 2.102 229 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 229 F C 2.430 178.207 175.800 -0.038 0.000 1.105 229 F CA 1.174 59.148 58.000 -0.043 0.000 1.239 229 F CB -0.867 38.085 39.000 -0.080 0.000 0.991 229 F HN 0.065 nan 8.300 nan 0.000 0.474 230 A N -0.000 122.926 122.820 0.178 0.000 1.877 230 A HA -0.064 4.255 4.320 -0.000 0.000 0.216 230 A C 2.463 180.093 177.584 0.077 0.000 1.186 230 A CA 1.859 53.960 52.037 0.106 0.000 0.620 230 A CB -1.427 17.643 19.000 0.118 0.000 0.822 230 A HN 0.307 nan 8.150 nan 0.000 0.443 231 A N -0.142 122.722 122.820 0.073 0.000 1.927 231 A HA 0.007 4.327 4.320 -0.000 0.000 0.220 231 A C 2.314 179.913 177.584 0.024 0.000 1.185 231 A CA 2.426 54.484 52.037 0.034 0.000 0.639 231 A CB -0.955 18.054 19.000 0.015 0.000 0.820 231 A HN 1.263 nan 8.150 nan 0.000 0.451 232 A N -2.039 120.800 122.820 0.033 0.000 2.238 232 A HA 0.421 4.741 4.320 -0.000 0.000 0.208 232 A C 1.773 179.380 177.584 0.038 0.000 1.177 232 A CA 1.141 53.197 52.037 0.031 0.000 0.804 232 A CB -1.047 17.974 19.000 0.035 0.000 0.823 232 A HN 2.044 nan 8.150 nan 0.000 0.482 233 G N -0.555 108.267 108.800 0.037 0.000 2.160 233 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.251 233 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.251 233 G C 0.118 175.022 174.900 0.007 0.000 1.008 233 G CA 0.522 45.634 45.100 0.019 0.000 0.724 233 G HN 0.431 nan 8.290 nan 0.000 0.514 234 D N -0.850 119.569 120.400 0.031 0.000 2.469 234 D HA 0.199 4.838 4.640 -0.000 0.000 0.215 234 D C 0.810 177.016 176.300 -0.158 0.000 1.154 234 D CA -0.302 53.689 54.000 -0.014 0.000 0.832 234 D CB 0.490 41.365 40.800 0.126 0.000 1.008 234 D HN 0.403 nan 8.370 nan 0.000 0.506 235 L N 1.196 122.343 121.223 -0.127 0.000 2.342 235 L HA 0.415 4.755 4.340 -0.000 0.000 0.285 235 L C 0.975 177.614 176.870 -0.384 0.000 1.095 235 L CA -0.161 54.501 54.840 -0.296 0.000 0.843 235 L CB 0.822 42.806 42.059 -0.125 0.000 1.201 235 L HN -0.080 nan 8.230 nan 0.000 0.445 236 A N 5.433 127.818 122.820 -0.724 0.000 2.251 236 A HA 0.341 4.661 4.320 -0.000 0.000 0.209 236 A C -0.052 177.307 177.584 -0.375 0.000 1.187 236 A CA 0.292 52.021 52.037 -0.515 0.000 0.823 236 A CB -0.656 18.086 19.000 -0.429 0.000 0.846 236 A HN 0.676 nan 8.150 nan 0.000 0.486 237 F N -4.484 115.457 119.950 -0.015 0.000 2.686 237 F HA 0.658 5.185 4.527 -0.001 0.000 0.311 237 F C -3.383 172.437 175.800 0.035 0.000 1.128 237 F CA -3.745 54.259 58.000 0.006 0.000 0.946 237 F CB 0.173 39.165 39.000 -0.013 0.000 1.336 237 F HN -0.321 nan 8.300 nan 0.000 0.457 238 P HA 0.380 nan 4.420 nan 0.000 0.267 238 P C -1.044 176.401 177.300 0.241 0.000 1.200 238 P CA 0.070 63.325 63.100 0.259 0.000 0.772 238 P CB 0.770 32.555 31.700 0.142 0.000 0.855 239 A N 3.140 126.103 122.820 0.239 0.000 2.386 239 A HA 0.704 5.024 4.320 -0.000 0.000 0.311 239 A C -0.753 176.936 177.584 0.176 0.000 1.068 239 A CA -0.754 51.381 52.037 0.164 0.000 0.743 239 A CB 0.823 19.891 19.000 0.113 0.000 1.258 239 A HN 0.443 nan 8.150 nan 0.000 0.429 240 I N 2.383 123.005 120.570 0.087 0.000 2.362 240 I HA 0.197 4.367 4.170 -0.000 0.000 0.289 240 I C -0.161 175.996 176.117 0.065 0.000 0.994 240 I CA -0.725 60.640 61.300 0.107 0.000 1.158 240 I CB 1.651 39.686 38.000 0.057 0.000 1.315 240 I HN 0.697 nan 8.210 nan 0.000 0.451 241 N N 6.643 125.386 118.700 0.071 0.000 2.415 241 N HA 0.082 4.822 4.740 -0.000 0.000 0.250 241 N C 0.469 176.019 175.510 0.066 0.000 1.127 241 N CA 0.068 53.138 53.050 0.033 0.000 0.945 241 N CB 1.279 39.785 38.487 0.032 0.000 1.196 241 N HN 0.405 nan 8.380 nan 0.000 0.499 242 V N 3.562 123.510 119.914 0.056 0.000 2.591 242 V HA -0.126 3.994 4.120 -0.000 0.000 0.249 242 V C 2.353 178.486 176.094 0.066 0.000 1.053 242 V CA 0.975 63.315 62.300 0.066 0.000 1.068 242 V CB -0.808 31.059 31.823 0.073 0.000 0.689 242 V HN 0.754 nan 8.190 nan 0.000 0.462 243 N N 0.872 119.605 118.700 0.055 0.000 2.091 243 N HA -0.229 4.511 4.740 -0.000 0.000 0.193 243 N C 0.950 176.496 175.510 0.061 0.000 1.021 243 N CA 1.865 54.947 53.050 0.053 0.000 0.862 243 N CB -0.039 38.471 38.487 0.039 0.000 1.018 243 N HN 0.440 nan 8.380 nan 0.000 0.429 244 D N 0.288 120.733 120.400 0.076 0.000 2.325 244 D HA 0.105 4.744 4.640 -0.000 0.000 0.225 244 D C -0.085 176.267 176.300 0.087 0.000 1.096 244 D CA 0.065 54.117 54.000 0.087 0.000 0.844 244 D CB 0.225 41.095 40.800 0.118 0.000 0.925 244 D HN 0.030 nan 8.370 nan 0.000 0.513 245 S N -0.002 115.743 115.700 0.074 0.000 2.560 245 S HA 0.029 4.499 4.470 -0.000 0.000 0.284 245 S C 1.879 176.510 174.600 0.051 0.000 1.327 245 S CA -0.531 57.705 58.200 0.060 0.000 1.055 245 S CB 1.757 64.984 63.200 0.044 0.000 0.868 245 S HN -0.065 nan 8.310 nan 0.000 0.506 246 V N 3.113 123.041 119.914 0.024 0.000 2.343 246 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 246 V C 2.425 178.578 176.094 0.099 0.000 1.051 246 V CA 2.168 64.458 62.300 -0.016 0.000 1.036 246 V CB -1.242 30.430 31.823 -0.252 0.000 0.654 246 V HN 1.059 nan 8.190 nan 0.000 0.451 247 T N -2.802 111.772 114.554 0.033 0.000 3.160 247 T HA -0.003 4.346 4.350 -0.000 0.000 0.257 247 T C 1.551 176.295 174.700 0.074 0.000 1.147 247 T CA 0.547 62.627 62.100 -0.033 0.000 1.064 247 T CB 0.189 68.900 68.868 -0.261 0.000 0.949 247 T HN 0.282 nan 8.240 nan 0.000 0.526 248 K N 1.964 122.424 120.400 0.100 0.000 2.230 248 K HA 0.088 4.408 4.320 -0.000 0.000 0.219 248 K C 2.652 179.305 176.600 0.090 0.000 1.033 248 K CA 1.342 57.677 56.287 0.081 0.000 0.937 248 K CB -0.547 31.985 32.500 0.053 0.000 1.018 248 K HN 0.399 nan 8.250 nan 0.000 0.463 249 S N 1.761 117.493 115.700 0.053 0.000 2.365 249 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 249 S C 1.608 176.153 174.600 -0.091 0.000 1.039 249 S CA 1.076 59.274 58.200 -0.002 0.000 1.033 249 S CB -0.247 62.957 63.200 0.007 0.000 0.887 249 S HN 0.176 nan 8.310 nan 0.000 0.447 250 K N 0.208 120.545 120.400 -0.105 0.000 2.487 250 K HA 0.307 4.627 4.320 -0.000 0.000 0.192 250 K C 0.714 176.828 176.600 -0.810 0.000 1.027 250 K CA 0.325 56.365 56.287 -0.412 0.000 1.054 250 K CB -0.292 31.972 32.500 -0.393 0.000 0.824 250 K HN 0.554 nan 8.250 nan 0.000 0.510 251 F N 0.031 119.851 119.950 -0.218 0.000 2.495 251 F HA 0.044 4.570 4.527 -0.002 0.000 0.271 251 F C 2.176 177.893 175.800 -0.137 0.000 0.889 251 F CA 0.018 57.956 58.000 -0.104 0.000 1.129 251 F CB -0.362 38.656 39.000 0.029 0.000 1.169 251 F HN -0.080 nan 8.300 nan 0.000 0.781 252 D N 0.919 121.362 120.400 0.072 0.000 2.087 252 D HA -0.184 4.456 4.640 -0.000 0.000 0.192 252 D C 1.471 177.727 176.300 -0.075 0.000 0.993 252 D CA 2.017 56.008 54.000 -0.015 0.000 0.828 252 D CB -0.380 40.459 40.800 0.065 0.000 0.968 252 D HN 0.102 nan 8.370 nan 0.000 0.448 253 N N 0.419 119.098 118.700 -0.035 0.000 2.104 253 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 253 N C 1.681 177.112 175.510 -0.132 0.000 1.024 253 N CA 1.080 54.113 53.050 -0.027 0.000 0.853 253 N CB -0.191 38.272 38.487 -0.040 0.000 1.008 253 N HN 0.359 nan 8.380 nan 0.000 0.424 254 K N -0.528 119.698 120.400 -0.291 0.000 2.054 254 K HA 0.001 4.321 4.320 -0.000 0.000 0.207 254 K C 1.391 177.798 176.600 -0.321 0.000 1.031 254 K CA 0.663 56.706 56.287 -0.408 0.000 0.952 254 K CB -0.180 31.900 32.500 -0.699 0.000 0.775 254 K HN 0.035 nan 8.250 nan 0.000 0.447 255 Y N 0.504 120.716 120.300 -0.146 0.000 2.395 255 Y HA 0.098 4.647 4.550 -0.000 0.000 0.293 255 Y C 2.299 178.093 175.900 -0.177 0.000 1.123 255 Y CA 0.826 58.862 58.100 -0.106 0.000 1.227 255 Y CB -1.002 37.433 38.460 -0.042 0.000 1.012 255 Y HN 0.300 nan 8.280 nan 0.000 0.552 256 G N -0.625 108.013 108.800 -0.270 0.000 2.418 256 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 256 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 256 G C 1.718 176.249 174.900 -0.614 0.000 1.158 256 G CA 1.675 46.247 45.100 -0.880 0.000 0.771 256 G HN 0.345 nan 8.290 nan 0.000 0.545 257 T N 0.021 114.400 114.554 -0.292 0.000 2.857 257 T HA -0.029 4.321 4.350 -0.000 0.000 0.266 257 T C 2.276 177.006 174.700 0.050 0.000 1.048 257 T CA 0.982 63.114 62.100 0.053 0.000 1.139 257 T CB -0.071 68.835 68.868 0.063 0.000 0.874 257 T HN 0.323 nan 8.240 nan 0.000 0.455 258 R N 0.229 120.748 120.500 0.032 0.000 2.139 258 R HA -0.191 4.149 4.340 -0.000 0.000 0.243 258 R C 2.371 178.726 176.300 0.091 0.000 1.145 258 R CA 1.432 57.574 56.100 0.070 0.000 0.976 258 R CB -0.295 30.075 30.300 0.117 0.000 0.866 258 R HN 0.494 nan 8.270 nan 0.000 0.449 259 H N -0.294 118.786 119.070 0.016 0.000 2.317 259 H HA -0.017 4.538 4.556 -0.001 0.000 0.304 259 H C 1.952 177.311 175.328 0.053 0.000 1.067 259 H CA 1.950 58.017 56.048 0.031 0.000 1.352 259 H CB 0.038 29.816 29.762 0.027 0.000 1.398 259 H HN 0.374 nan 8.280 nan 0.000 0.510 260 S N 0.356 116.230 115.700 0.290 0.000 2.501 260 S HA -0.049 4.421 4.470 -0.000 0.000 0.220 260 S C 2.203 176.887 174.600 0.139 0.000 0.997 260 S CA 0.476 58.836 58.200 0.266 0.000 0.919 260 S CB -0.326 63.090 63.200 0.360 0.000 0.778 260 S HN 0.277 nan 8.310 nan 0.000 0.523 261 L N 2.624 123.910 121.223 0.105 0.000 2.017 261 L HA 0.049 4.389 4.340 -0.000 0.000 0.208 261 L C 2.131 179.021 176.870 0.033 0.000 1.073 261 L CA 1.883 56.758 54.840 0.059 0.000 0.745 261 L CB -0.797 41.288 42.059 0.042 0.000 0.894 261 L HN 0.511 nan 8.230 nan 0.000 0.432 262 I N -2.804 117.775 120.570 0.015 0.000 2.394 262 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 262 I C 2.128 178.240 176.117 -0.008 0.000 1.136 262 I CA 1.687 62.984 61.300 -0.005 0.000 1.425 262 I CB -1.182 36.806 38.000 -0.021 0.000 1.079 262 I HN 0.197 nan 8.210 nan 0.000 0.425 263 D N 1.544 121.939 120.400 -0.009 0.000 2.092 263 D HA -0.150 4.490 4.640 -0.000 0.000 0.193 263 D C 2.353 178.670 176.300 0.028 0.000 0.994 263 D CA 2.025 56.032 54.000 0.011 0.000 0.828 263 D CB -0.622 40.208 40.800 0.050 0.000 0.963 263 D HN 0.418 nan 8.370 nan 0.000 0.450 264 G N 0.238 109.062 108.800 0.039 0.000 2.422 264 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 264 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 264 G C 1.951 176.864 174.900 0.021 0.000 1.146 264 G CA 0.660 45.779 45.100 0.030 0.000 0.769 264 G HN 0.375 nan 8.290 nan 0.000 0.547 265 I N 1.011 121.593 120.570 0.019 0.000 2.226 265 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 265 I C 2.530 178.656 176.117 0.014 0.000 1.100 265 I CA 0.735 62.045 61.300 0.017 0.000 1.374 265 I CB -0.260 37.749 38.000 0.015 0.000 1.057 265 I HN 0.056 nan 8.210 nan 0.000 0.413 266 N N 1.223 119.929 118.700 0.010 0.000 2.043 266 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 266 N C 1.925 177.441 175.510 0.010 0.000 1.037 266 N CA 1.469 54.523 53.050 0.008 0.000 0.851 266 N CB -0.395 38.092 38.487 0.001 0.000 1.027 266 N HN 0.354 nan 8.380 nan 0.000 0.422 267 R N -0.120 120.388 120.500 0.012 0.000 2.115 267 R HA 0.016 4.356 4.340 -0.000 0.000 0.230 267 R C 2.225 178.528 176.300 0.006 0.000 1.111 267 R CA 1.132 57.239 56.100 0.011 0.000 0.976 267 R CB -0.444 29.866 30.300 0.016 0.000 0.870 267 R HN 0.265 nan 8.270 nan 0.000 0.445 268 G N -0.056 108.748 108.800 0.007 0.000 2.408 268 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 268 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 268 G C 1.423 176.328 174.900 0.008 0.000 1.156 268 G CA 1.357 46.458 45.100 0.002 0.000 0.793 268 G HN 0.462 nan 8.290 nan 0.000 0.535 269 T N -4.231 110.332 114.554 0.015 0.000 2.980 269 T HA 0.126 4.475 4.350 -0.000 0.000 0.252 269 T C 0.832 175.545 174.700 0.022 0.000 0.962 269 T CA 0.908 63.022 62.100 0.022 0.000 0.932 269 T CB 0.289 69.175 68.868 0.029 0.000 1.188 269 T HN 0.136 nan 8.240 nan 0.000 0.500 270 D N 1.896 122.306 120.400 0.016 0.000 2.882 270 D HA -0.138 4.502 4.640 -0.000 0.000 0.229 270 D C 0.264 176.574 176.300 0.017 0.000 1.167 270 D CA 0.935 54.943 54.000 0.014 0.000 0.759 270 D CB -1.457 39.350 40.800 0.012 0.000 1.088 270 D HN 0.852 nan 8.370 nan 0.000 0.425 271 A N 0.468 123.301 122.820 0.021 0.000 2.366 271 A HA 0.453 4.773 4.320 -0.000 0.000 0.272 271 A C 0.459 178.055 177.584 0.019 0.000 1.135 271 A CA -0.548 51.504 52.037 0.025 0.000 0.804 271 A CB 0.783 19.803 19.000 0.033 0.000 1.064 271 A HN 0.269 nan 8.150 nan 0.000 0.499 272 L N 3.038 124.271 121.223 0.017 0.000 2.578 272 L HA 0.034 4.374 4.340 -0.000 0.000 0.279 272 L C 0.732 177.612 176.870 0.016 0.000 1.227 272 L CA 0.864 55.712 54.840 0.014 0.000 0.900 272 L CB -0.008 42.059 42.059 0.013 0.000 1.144 272 L HN 0.738 nan 8.230 nan 0.000 0.496 273 I N 3.320 123.898 120.570 0.014 0.000 2.810 273 I HA 0.153 4.322 4.170 -0.000 0.000 0.262 273 I C 1.430 177.558 176.117 0.018 0.000 1.131 273 I CA 0.428 61.737 61.300 0.015 0.000 1.453 273 I CB -0.371 37.636 38.000 0.012 0.000 1.161 273 I HN 0.847 nan 8.210 nan 0.000 0.444 274 G N 0.310 109.120 108.800 0.017 0.000 2.353 274 G HA2 0.292 4.252 3.960 -0.000 0.000 0.239 274 G HA3 0.292 4.252 3.960 -0.000 0.000 0.239 274 G C 1.098 176.009 174.900 0.020 0.000 1.295 274 G CA 0.450 45.562 45.100 0.020 0.000 0.884 274 G HN 0.618 nan 8.290 nan 0.000 0.537 275 G N 1.260 110.073 108.800 0.023 0.000 2.234 275 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 275 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 275 G C 0.673 175.586 174.900 0.021 0.000 0.987 275 G CA 0.725 45.838 45.100 0.021 0.000 0.625 275 G HN 0.761 nan 8.290 nan 0.000 0.532 276 K N 0.822 121.235 120.400 0.022 0.000 2.118 276 K HA 0.440 4.760 4.320 -0.000 0.000 0.264 276 K C 0.454 177.066 176.600 0.021 0.000 1.000 276 K CA -0.405 55.895 56.287 0.022 0.000 0.929 276 K CB 0.897 33.410 32.500 0.021 0.000 1.021 276 K HN 0.281 nan 8.250 nan 0.000 0.463 277 K N 1.337 121.748 120.400 0.019 0.000 2.276 277 K HA 0.276 4.596 4.320 -0.000 0.000 0.285 277 K C -0.518 176.086 176.600 0.007 0.000 1.062 277 K CA -0.454 55.842 56.287 0.015 0.000 0.918 277 K CB 0.984 33.492 32.500 0.013 0.000 1.055 277 K HN 0.170 nan 8.250 nan 0.000 0.477 278 V N 4.606 124.518 119.914 -0.002 0.000 2.540 278 V HA 0.269 4.389 4.120 -0.000 0.000 0.302 278 V C -0.858 175.213 176.094 -0.039 0.000 1.035 278 V CA -1.019 61.270 62.300 -0.018 0.000 0.873 278 V CB 1.626 33.435 31.823 -0.024 0.000 0.992 278 V HN 0.534 nan 8.190 nan 0.000 0.428 279 L N 6.581 127.781 121.223 -0.038 0.000 2.276 279 L HA 0.591 4.931 4.340 -0.000 0.000 0.286 279 L C -0.613 176.223 176.870 -0.057 0.000 1.024 279 L CA 0.069 54.878 54.840 -0.052 0.000 0.826 279 L CB 0.892 42.924 42.059 -0.045 0.000 1.211 279 L HN 0.405 nan 8.230 nan 0.000 0.422 280 I N 4.741 125.265 120.570 -0.076 0.000 2.336 280 I HA 0.239 4.409 4.170 -0.000 0.000 0.292 280 I C -0.443 175.654 176.117 -0.034 0.000 0.991 280 I CA -0.339 60.927 61.300 -0.057 0.000 1.227 280 I CB 1.142 39.096 38.000 -0.076 0.000 1.366 280 I HN 0.561 nan 8.210 nan 0.000 0.466 281 C N 5.203 124.491 119.300 -0.019 0.000 2.223 281 C HA 0.763 5.222 4.460 -0.000 0.000 0.324 281 C C 0.766 175.765 174.990 0.015 0.000 1.196 281 C CA -0.320 58.691 59.018 -0.012 0.000 1.628 281 C CB -0.399 27.328 27.740 -0.022 0.000 2.229 281 C HN 1.070 nan 8.230 nan 0.000 0.486 282 G N 2.490 111.313 108.800 0.039 0.000 2.911 282 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.686 282 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.686 282 G C -1.182 173.802 174.900 0.139 0.000 1.136 282 G CA -0.664 44.477 45.100 0.068 0.000 0.764 282 G HN 0.736 nan 8.290 nan 0.000 0.626 283 Y N 2.431 122.716 120.300 -0.024 0.000 2.577 283 Y HA 0.519 5.069 4.550 -0.001 0.000 0.307 283 Y C 1.203 177.095 175.900 -0.014 0.000 0.940 283 Y CA 0.426 58.513 58.100 -0.021 0.000 1.132 283 Y CB 0.136 38.594 38.460 -0.004 0.000 1.184 283 Y HN 0.966 nan 8.280 nan 0.000 0.611 284 G N -0.037 108.725 108.800 -0.063 0.000 2.666 284 G HA2 0.016 3.975 3.960 -0.000 0.000 0.207 284 G HA3 0.016 3.975 3.960 -0.000 0.000 0.207 284 G C 0.526 175.299 174.900 -0.211 0.000 1.481 284 G CA 0.087 45.120 45.100 -0.110 0.000 1.071 284 G HN 0.210 nan 8.290 nan 0.000 0.572 285 D N -1.018 119.288 120.400 -0.157 0.000 2.149 285 D HA -0.085 4.554 4.640 -0.000 0.000 0.201 285 D C 2.727 178.910 176.300 -0.196 0.000 0.972 285 D CA 0.588 54.465 54.000 -0.205 0.000 0.835 285 D CB -0.116 40.587 40.800 -0.162 0.000 0.966 285 D HN 0.042 nan 8.370 nan 0.000 0.476 286 V N 0.934 120.777 119.914 -0.119 0.000 2.307 286 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 286 V C 2.560 178.593 176.094 -0.102 0.000 1.045 286 V CA 1.973 64.227 62.300 -0.077 0.000 1.024 286 V CB -0.902 30.910 31.823 -0.018 0.000 0.651 286 V HN 0.219 nan 8.190 nan 0.000 0.449 287 G N -0.455 108.276 108.800 -0.115 0.000 2.432 287 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 287 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 287 G C 1.657 176.417 174.900 -0.233 0.000 1.135 287 G CA 0.729 45.770 45.100 -0.098 0.000 0.767 287 G HN 0.464 nan 8.290 nan 0.000 0.550 288 K N 0.084 120.179 120.400 -0.507 0.000 2.057 288 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 288 K C 2.769 179.238 176.600 -0.219 0.000 1.049 288 K CA 0.970 56.902 56.287 -0.592 0.000 0.931 288 K CB -0.380 31.738 32.500 -0.636 0.000 0.714 288 K HN 0.270 nan 8.250 nan 0.000 0.440 289 G N 0.876 109.568 108.800 -0.179 0.000 2.422 289 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 289 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 289 G C 1.626 176.506 174.900 -0.034 0.000 1.146 289 G CA 0.875 45.923 45.100 -0.087 0.000 0.769 289 G HN 0.306 nan 8.290 nan 0.000 0.547 290 C N 0.771 120.043 119.300 -0.047 0.000 2.432 290 C HA 0.182 4.642 4.460 -0.000 0.000 0.277 290 C C 3.549 178.513 174.990 -0.043 0.000 1.249 290 C CA 0.995 59.995 59.018 -0.030 0.000 1.725 290 C CB -0.874 26.845 27.740 -0.036 0.000 2.028 290 C HN 0.560 nan 8.230 nan 0.000 0.477 291 A N -0.116 122.661 122.820 -0.072 0.000 1.969 291 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 291 A C 2.088 179.679 177.584 0.011 0.000 1.169 291 A CA 1.813 53.746 52.037 -0.174 0.000 0.635 291 A CB -0.615 18.169 19.000 -0.361 0.000 0.810 291 A HN 0.738 nan 8.150 nan 0.000 0.445 292 E N -0.054 120.205 120.200 0.097 0.000 2.072 292 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 292 E C 2.153 178.814 176.600 0.102 0.000 0.985 292 E CA 0.927 57.421 56.400 0.156 0.000 0.801 292 E CB -0.249 29.530 29.700 0.133 0.000 0.750 292 E HN 0.520 nan 8.360 nan 0.000 0.452 293 A N 1.205 124.060 122.820 0.058 0.000 1.865 293 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 293 A C 2.222 179.827 177.584 0.034 0.000 1.191 293 A CA 1.807 53.867 52.037 0.038 0.000 0.623 293 A CB -0.450 18.564 19.000 0.023 0.000 0.826 293 A HN 0.285 nan 8.150 nan 0.000 0.444 294 M N -0.574 119.040 119.600 0.024 0.000 2.132 294 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 294 M C 2.177 178.511 176.300 0.057 0.000 1.065 294 M CA 1.830 57.143 55.300 0.021 0.000 1.122 294 M CB -1.091 31.500 32.600 -0.015 0.000 1.365 294 M HN 0.550 nan 8.290 nan 0.000 0.411 295 K N 0.243 120.708 120.400 0.108 0.000 2.113 295 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 295 K C 1.867 178.532 176.600 0.109 0.000 1.047 295 K CA 1.723 58.114 56.287 0.174 0.000 0.928 295 K CB -0.311 32.374 32.500 0.308 0.000 0.716 295 K HN 0.414 nan 8.250 nan 0.000 0.446 296 G N -0.117 108.735 108.800 0.087 0.000 2.572 296 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.216 296 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.216 296 G C 1.191 176.114 174.900 0.038 0.000 1.133 296 G CA -0.012 45.123 45.100 0.057 0.000 0.791 296 G HN 0.269 nan 8.290 nan 0.000 0.538 297 Q N -0.119 119.702 119.800 0.036 0.000 2.360 297 Q HA 0.173 4.513 4.340 -0.000 0.000 0.202 297 Q C 1.581 177.598 176.000 0.028 0.000 0.915 297 Q CA 0.536 56.353 55.803 0.023 0.000 0.943 297 Q CB 0.625 29.372 28.738 0.015 0.000 1.064 297 Q HN 0.517 nan 8.270 nan 0.000 0.511 298 G N 0.577 109.401 108.800 0.040 0.000 2.141 298 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.242 298 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.242 298 G C 0.354 175.279 174.900 0.043 0.000 0.982 298 G CA 0.149 45.273 45.100 0.039 0.000 0.662 298 G HN 0.547 nan 8.290 nan 0.000 0.527 299 A N -0.256 122.594 122.820 0.049 0.000 2.346 299 A HA 0.738 5.058 4.320 -0.000 0.000 0.252 299 A C 0.760 178.385 177.584 0.068 0.000 1.089 299 A CA 0.035 52.100 52.037 0.047 0.000 0.797 299 A CB 0.354 19.374 19.000 0.033 0.000 1.047 299 A HN 0.491 nan 8.150 nan 0.000 0.494 300 R N 0.624 121.157 120.500 0.056 0.000 2.215 300 R HA 0.441 4.781 4.340 -0.000 0.000 0.337 300 R C -1.397 174.942 176.300 0.066 0.000 1.010 300 R CA -0.332 55.811 56.100 0.071 0.000 0.871 300 R CB 1.216 31.545 30.300 0.048 0.000 1.134 300 R HN 0.423 nan 8.270 nan 0.000 0.477 301 V N 2.521 122.502 119.914 0.111 0.000 2.427 301 V HA 0.328 4.448 4.120 -0.000 0.000 0.286 301 V C 0.056 176.175 176.094 0.042 0.000 1.034 301 V CA -0.324 61.980 62.300 0.005 0.000 0.893 301 V CB 1.814 33.537 31.823 -0.167 0.000 0.982 301 V HN 0.726 nan 8.190 nan 0.000 0.452 302 S N 3.006 118.682 115.700 -0.040 0.000 2.648 302 S HA 0.832 5.302 4.470 -0.000 0.000 0.305 302 S C -0.737 173.799 174.600 -0.106 0.000 1.094 302 S CA -0.629 57.553 58.200 -0.029 0.000 0.983 302 S CB 2.231 65.424 63.200 -0.012 0.000 1.101 302 S HN 0.438 nan 8.310 nan 0.000 0.514 303 V N 1.695 121.552 119.914 -0.095 0.000 2.789 303 V HA 0.655 4.774 4.120 -0.000 0.000 0.311 303 V C 0.003 176.054 176.094 -0.071 0.000 1.073 303 V CA -0.785 61.445 62.300 -0.117 0.000 0.921 303 V CB 2.141 33.833 31.823 -0.218 0.000 1.009 303 V HN 1.041 nan 8.190 nan 0.000 0.426 304 T N 1.035 115.561 114.554 -0.047 0.000 2.895 304 T HA 0.819 5.169 4.350 -0.000 0.000 0.283 304 T C -0.801 173.895 174.700 -0.007 0.000 1.014 304 T CA -0.514 61.566 62.100 -0.033 0.000 1.037 304 T CB 2.053 70.896 68.868 -0.042 0.000 1.006 304 T HN 0.624 nan 8.240 nan 0.000 0.468 305 E N 1.519 121.716 120.200 -0.005 0.000 2.363 305 E HA 0.257 4.607 4.350 -0.000 0.000 0.281 305 E C 0.452 177.057 176.600 0.009 0.000 0.953 305 E CA -0.524 55.886 56.400 0.015 0.000 0.778 305 E CB 1.955 31.674 29.700 0.032 0.000 1.220 305 E HN 0.822 nan 8.360 nan 0.000 0.431 306 I N -1.757 118.822 120.570 0.015 0.000 3.228 306 I HA 0.262 4.431 4.170 -0.000 0.000 0.279 306 I C 0.663 176.787 176.117 0.012 0.000 1.221 306 I CA 0.319 61.624 61.300 0.010 0.000 1.458 306 I CB 0.375 38.380 38.000 0.008 0.000 1.105 306 I HN 0.084 nan 8.210 nan 0.000 0.445 307 D N 2.582 122.994 120.400 0.021 0.000 2.280 307 D HA 0.249 4.889 4.640 -0.000 0.000 0.236 307 D C -1.679 174.635 176.300 0.023 0.000 1.082 307 D CA -2.570 51.443 54.000 0.022 0.000 0.834 307 D CB 1.965 42.782 40.800 0.029 0.000 1.100 307 D HN -0.031 nan 8.370 nan 0.000 0.486 308 P HA -0.060 nan 4.420 nan 0.000 0.221 308 P C 1.788 179.099 177.300 0.019 0.000 1.150 308 P CA 0.625 63.732 63.100 0.011 0.000 0.800 308 P CB 0.680 32.383 31.700 0.005 0.000 0.787 309 I N 0.219 120.804 120.570 0.025 0.000 2.163 309 I HA -0.209 3.960 4.170 -0.000 0.000 0.240 309 I C 2.405 178.559 176.117 0.061 0.000 1.081 309 I CA 1.330 62.649 61.300 0.033 0.000 1.353 309 I CB -0.788 37.228 38.000 0.026 0.000 1.054 309 I HN -0.044 nan 8.210 nan 0.000 0.407 310 N N 1.226 119.975 118.700 0.083 0.000 2.120 310 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 310 N C 1.986 177.589 175.510 0.154 0.000 1.024 310 N CA 1.529 54.678 53.050 0.165 0.000 0.852 310 N CB -0.215 38.375 38.487 0.172 0.000 1.003 310 N HN 0.340 nan 8.380 nan 0.000 0.424 311 A N 1.801 124.657 122.820 0.060 0.000 1.908 311 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 311 A C 2.239 179.807 177.584 -0.027 0.000 1.181 311 A CA 1.114 53.144 52.037 -0.011 0.000 0.627 311 A CB -0.768 18.226 19.000 -0.009 0.000 0.818 311 A HN 0.213 nan 8.150 nan 0.000 0.445 312 L N -0.112 121.114 121.223 0.005 0.000 2.083 312 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 312 L C 2.503 179.378 176.870 0.009 0.000 1.083 312 L CA 2.221 57.060 54.840 -0.001 0.000 0.752 312 L CB -0.653 41.410 42.059 0.008 0.000 0.899 312 L HN 0.524 nan 8.230 nan 0.000 0.433 313 Q N -0.931 118.905 119.800 0.060 0.000 2.084 313 Q HA -0.170 4.169 4.340 -0.000 0.000 0.202 313 Q C 2.294 178.335 176.000 0.068 0.000 0.978 313 Q CA 1.554 57.432 55.803 0.125 0.000 0.844 313 Q CB -0.396 28.508 28.738 0.276 0.000 0.898 313 Q HN 0.671 nan 8.270 nan 0.000 0.426 314 A N 1.126 123.843 122.820 -0.171 0.000 1.883 314 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 314 A C 2.105 179.593 177.584 -0.160 0.000 1.186 314 A CA 1.639 53.360 52.037 -0.528 0.000 0.624 314 A CB -0.576 17.907 19.000 -0.861 0.000 0.822 314 A HN 0.298 nan 8.150 nan 0.000 0.444 315 M N -1.290 118.241 119.600 -0.116 0.000 2.159 315 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 315 M C 2.002 178.236 176.300 -0.109 0.000 1.063 315 M CA 1.153 56.399 55.300 -0.090 0.000 1.110 315 M CB -0.407 32.158 32.600 -0.059 0.000 1.374 315 M HN 0.306 nan 8.290 nan 0.000 0.411 316 M N -0.240 119.312 119.600 -0.079 0.000 2.460 316 M HA -0.097 4.382 4.480 -0.000 0.000 0.263 316 M C 0.949 177.184 176.300 -0.108 0.000 1.071 316 M CA 1.432 56.691 55.300 -0.068 0.000 1.096 316 M CB -0.965 31.622 32.600 -0.022 0.000 1.408 316 M HN 0.290 nan 8.290 nan 0.000 0.463 317 E N -0.693 119.406 120.200 -0.168 0.000 2.465 317 E HA 0.301 4.651 4.350 -0.000 0.000 0.195 317 E C 0.895 177.043 176.600 -0.753 0.000 1.028 317 E CA 0.192 56.421 56.400 -0.285 0.000 0.899 317 E CB 0.288 29.975 29.700 -0.021 0.000 1.032 317 E HN 0.592 nan 8.360 nan 0.000 0.468 318 G N 1.033 109.483 108.800 -0.583 0.000 2.144 318 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 318 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 318 G C -0.325 174.227 174.900 -0.580 0.000 0.988 318 G CA -0.484 44.276 45.100 -0.567 0.000 0.659 318 G HN 0.133 nan 8.290 nan 0.000 0.522 319 F N 1.515 121.412 119.950 -0.089 0.000 2.482 319 F HA 0.542 5.069 4.527 0.000 0.000 0.331 319 F C 0.309 176.043 175.800 -0.110 0.000 1.115 319 F CA -1.959 55.979 58.000 -0.103 0.000 0.955 319 F CB 1.185 40.088 39.000 -0.161 0.000 1.136 319 F HN -0.136 nan 8.300 nan 0.000 0.452 320 D N 1.467 121.927 120.400 0.100 0.000 2.449 320 D HA 0.187 4.827 4.640 -0.000 0.000 0.236 320 D C -0.379 175.927 176.300 0.010 0.000 1.149 320 D CA 0.341 54.359 54.000 0.031 0.000 0.878 320 D CB 1.194 42.007 40.800 0.021 0.000 1.198 320 D HN 0.128 nan 8.370 nan 0.000 0.446 321 V N 2.476 122.380 119.914 -0.018 0.000 2.357 321 V HA 0.390 4.510 4.120 -0.000 0.000 0.284 321 V C 0.210 176.287 176.094 -0.027 0.000 1.018 321 V CA -0.566 61.712 62.300 -0.036 0.000 0.841 321 V CB 1.389 33.184 31.823 -0.047 0.000 0.991 321 V HN 0.421 nan 8.190 nan 0.000 0.437 322 V N 2.040 121.935 119.914 -0.031 0.000 3.102 322 V HA 0.866 4.986 4.120 -0.000 0.000 0.312 322 V C -0.018 176.054 176.094 -0.036 0.000 1.135 322 V CA -0.625 61.658 62.300 -0.028 0.000 1.022 322 V CB 2.139 33.946 31.823 -0.026 0.000 1.056 322 V HN 0.793 nan 8.190 nan 0.000 0.436 323 T N -0.871 113.662 114.554 -0.035 0.000 2.922 323 T HA 0.486 4.835 4.350 -0.000 0.000 0.285 323 T C 1.070 175.725 174.700 -0.075 0.000 1.005 323 T CA 0.052 62.124 62.100 -0.047 0.000 1.061 323 T CB 1.474 70.325 68.868 -0.029 0.000 1.007 323 T HN 0.780 nan 8.240 nan 0.000 0.502 324 V N 1.752 121.591 119.914 -0.126 0.000 2.380 324 V HA -0.172 3.948 4.120 -0.000 0.000 0.251 324 V C 2.676 178.662 176.094 -0.180 0.000 1.063 324 V CA 2.139 64.305 62.300 -0.223 0.000 1.055 324 V CB -1.087 30.461 31.823 -0.459 0.000 0.657 324 V HN 0.898 nan 8.190 nan 0.000 0.455 325 E N 0.431 120.577 120.200 -0.090 0.000 2.110 325 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 325 E C 2.231 178.830 176.600 -0.002 0.000 0.988 325 E CA 1.559 57.966 56.400 0.012 0.000 0.804 325 E CB -0.251 29.480 29.700 0.052 0.000 0.745 325 E HN 0.902 nan 8.360 nan 0.000 0.458 326 E N -0.457 119.732 120.200 -0.019 0.000 2.299 326 E HA 0.068 4.418 4.350 -0.000 0.000 0.193 326 E C 1.496 178.086 176.600 -0.017 0.000 0.998 326 E CA 0.867 57.260 56.400 -0.012 0.000 0.851 326 E CB 0.201 29.894 29.700 -0.012 0.000 0.795 326 E HN 0.178 nan 8.360 nan 0.000 0.492 327 A N 0.639 123.441 122.820 -0.031 0.000 2.324 327 A HA 0.217 4.537 4.320 -0.000 0.000 0.220 327 A C 1.867 179.433 177.584 -0.029 0.000 1.209 327 A CA -0.230 51.791 52.037 -0.028 0.000 0.918 327 A CB -0.056 18.923 19.000 -0.035 0.000 0.959 327 A HN 0.233 nan 8.150 nan 0.000 0.507 328 I N 0.653 121.199 120.570 -0.040 0.000 2.286 328 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 328 I C 2.075 178.187 176.117 -0.007 0.000 1.115 328 I CA 1.824 63.102 61.300 -0.036 0.000 1.392 328 I CB -0.308 37.664 38.000 -0.047 0.000 1.065 328 I HN 0.203 nan 8.210 nan 0.000 0.418 329 G N -0.807 107.992 108.800 -0.001 0.000 2.650 329 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.214 329 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.214 329 G C 1.179 176.085 174.900 0.010 0.000 1.136 329 G CA 0.609 45.713 45.100 0.006 0.000 0.789 329 G HN 0.429 nan 8.290 nan 0.000 0.536 330 D N 0.287 120.690 120.400 0.005 0.000 2.379 330 D HA 0.214 4.854 4.640 -0.000 0.000 0.208 330 D C 1.253 177.559 176.300 0.010 0.000 1.065 330 D CA 0.034 54.039 54.000 0.008 0.000 0.848 330 D CB 0.782 41.585 40.800 0.005 0.000 0.949 330 D HN 0.255 nan 8.370 nan 0.000 0.509 331 A N 1.252 124.075 122.820 0.007 0.000 2.409 331 A HA 0.114 4.434 4.320 -0.000 0.000 0.262 331 A C 0.864 178.460 177.584 0.019 0.000 1.113 331 A CA -0.217 51.824 52.037 0.006 0.000 0.790 331 A CB 0.694 19.691 19.000 -0.005 0.000 1.046 331 A HN -0.115 nan 8.150 nan 0.000 0.496 332 D N 1.315 121.728 120.400 0.021 0.000 2.213 332 D HA 0.090 4.729 4.640 -0.000 0.000 0.205 332 D C 0.300 176.618 176.300 0.031 0.000 0.961 332 D CA 1.440 55.459 54.000 0.032 0.000 0.853 332 D CB 0.214 41.032 40.800 0.031 0.000 0.967 332 D HN 0.576 nan 8.370 nan 0.000 0.496 333 I N 0.721 121.302 120.570 0.019 0.000 2.619 333 I HA 0.244 4.413 4.170 -0.000 0.000 0.292 333 I C -0.991 175.128 176.117 0.004 0.000 1.100 333 I CA -0.873 60.436 61.300 0.016 0.000 1.043 333 I CB 3.169 41.177 38.000 0.013 0.000 1.239 333 I HN -0.405 nan 8.210 nan 0.000 0.420 334 V N 6.220 126.137 119.914 0.005 0.000 2.483 334 V HA 0.487 4.607 4.120 -0.000 0.000 0.297 334 V C -0.385 175.707 176.094 -0.003 0.000 1.027 334 V CA -0.650 61.646 62.300 -0.006 0.000 0.855 334 V CB 2.126 33.944 31.823 -0.008 0.000 0.995 334 V HN 0.422 nan 8.190 nan 0.000 0.424 335 V N 3.566 123.473 119.914 -0.011 0.000 2.540 335 V HA 0.581 4.701 4.120 -0.000 0.000 0.302 335 V C 0.260 176.351 176.094 -0.005 0.000 1.035 335 V CA -0.537 61.761 62.300 -0.003 0.000 0.873 335 V CB 2.453 34.273 31.823 -0.006 0.000 0.992 335 V HN 0.987 nan 8.190 nan 0.000 0.428 336 T N 1.213 115.769 114.554 0.004 0.000 2.799 336 T HA 0.726 5.076 4.350 -0.000 0.000 0.286 336 T C 0.168 174.876 174.700 0.014 0.000 0.973 336 T CA -0.032 62.073 62.100 0.008 0.000 1.035 336 T CB 1.676 70.553 68.868 0.015 0.000 0.932 336 T HN 1.029 nan 8.240 nan 0.000 0.469 337 A N 2.430 125.258 122.820 0.014 0.000 2.663 337 A HA 0.446 4.766 4.320 -0.000 0.000 0.273 337 A C 1.430 179.026 177.584 0.020 0.000 0.932 337 A CA 0.031 52.078 52.037 0.015 0.000 1.055 337 A CB -0.224 18.778 19.000 0.004 0.000 1.206 337 A HN 0.978 nan 8.150 nan 0.000 0.485 338 T N -4.845 109.726 114.554 0.028 0.000 3.040 338 T HA 0.377 4.727 4.350 -0.000 0.000 0.252 338 T C 1.662 176.387 174.700 0.042 0.000 1.064 338 T CA 1.192 63.312 62.100 0.032 0.000 1.110 338 T CB 0.044 68.930 68.868 0.030 0.000 0.921 338 T HN 1.755 nan 8.240 nan 0.000 0.480 339 G N 1.525 110.360 108.800 0.058 0.000 2.184 339 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 339 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 339 G C 0.084 175.035 174.900 0.085 0.000 0.975 339 G CA 0.315 45.462 45.100 0.079 0.000 0.642 339 G HN 0.794 nan 8.290 nan 0.000 0.536 340 N N 0.483 119.222 118.700 0.064 0.000 2.563 340 N HA 0.639 5.379 4.740 -0.000 0.000 0.288 340 N C 0.324 175.865 175.510 0.052 0.000 1.246 340 N CA -0.223 52.857 53.050 0.050 0.000 0.946 340 N CB 0.899 39.404 38.487 0.030 0.000 1.213 340 N HN 0.598 nan 8.380 nan 0.000 0.578 341 K N -0.514 119.904 120.400 0.030 0.000 2.185 341 K HA 0.467 4.786 4.320 -0.000 0.000 0.240 341 K C -1.055 175.555 176.600 0.015 0.000 0.983 341 K CA -0.536 55.764 56.287 0.020 0.000 0.873 341 K CB 0.854 33.350 32.500 -0.008 0.000 1.118 341 K HN 0.342 nan 8.250 nan 0.000 0.441 342 D N 0.548 120.957 120.400 0.016 0.000 2.716 342 D HA -0.130 4.510 4.640 -0.000 0.000 0.239 342 D C 0.414 176.742 176.300 0.048 0.000 1.125 342 D CA 0.485 54.498 54.000 0.022 0.000 0.681 342 D CB -0.800 40.004 40.800 0.006 0.000 1.070 342 D HN 0.528 nan 8.370 nan 0.000 0.432 343 I N -0.661 119.938 120.570 0.048 0.000 2.556 343 I HA 0.003 4.172 4.170 -0.000 0.000 0.251 343 I C 1.277 177.437 176.117 0.072 0.000 1.105 343 I CA 0.790 62.116 61.300 0.042 0.000 1.436 343 I CB 0.020 38.029 38.000 0.016 0.000 1.139 343 I HN 0.110 nan 8.210 nan 0.000 0.438 344 I N 3.062 123.691 120.570 0.098 0.000 2.405 344 I HA 0.275 4.445 4.170 -0.000 0.000 0.280 344 I C -0.033 176.193 176.117 0.181 0.000 1.027 344 I CA -0.277 61.126 61.300 0.172 0.000 1.161 344 I CB 1.107 39.145 38.000 0.063 0.000 1.300 344 I HN -0.019 nan 8.210 nan 0.000 0.463 345 M N 4.106 123.875 119.600 0.281 0.000 2.369 345 M HA 0.231 4.711 4.480 -0.000 0.000 0.291 345 M C 1.318 177.574 176.300 -0.074 0.000 1.178 345 M CA -0.766 54.525 55.300 -0.015 0.000 0.996 345 M CB 0.904 33.408 32.600 -0.160 0.000 1.472 345 M HN 0.389 nan 8.290 nan 0.000 0.496 346 L N 1.548 122.714 121.223 -0.096 0.000 2.021 346 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 346 L C 2.168 178.949 176.870 -0.150 0.000 1.074 346 L CA 2.173 56.962 54.840 -0.086 0.000 0.760 346 L CB -0.807 41.214 42.059 -0.063 0.000 0.889 346 L HN 0.860 nan 8.230 nan 0.000 0.433 347 E N -1.590 118.477 120.200 -0.222 0.000 2.118 347 E HA -0.282 4.067 4.350 -0.000 0.000 0.195 347 E C 2.016 178.499 176.600 -0.195 0.000 0.992 347 E CA 1.709 57.962 56.400 -0.245 0.000 0.804 347 E CB -0.171 29.353 29.700 -0.293 0.000 0.741 347 E HN 0.774 nan 8.360 nan 0.000 0.458 348 H N -0.243 118.781 119.070 -0.076 0.000 2.363 348 H HA -0.024 4.532 4.556 -0.000 0.000 0.301 348 H C 2.229 177.513 175.328 -0.074 0.000 1.074 348 H CA 1.230 57.239 56.048 -0.064 0.000 1.354 348 H CB 0.043 29.780 29.762 -0.042 0.000 1.397 348 H HN 0.182 nan 8.280 nan 0.000 0.516 349 I N 1.189 121.790 120.570 0.052 0.000 2.208 349 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 349 I C 1.904 177.946 176.117 -0.124 0.000 1.097 349 I CA 1.424 62.733 61.300 0.016 0.000 1.363 349 I CB -0.262 37.783 38.000 0.076 0.000 1.051 349 I HN 0.224 nan 8.210 nan 0.000 0.413 350 K N 0.916 121.103 120.400 -0.355 0.000 2.362 350 K HA -0.015 4.304 4.320 -0.000 0.000 0.200 350 K C 1.979 178.409 176.600 -0.285 0.000 1.046 350 K CA 1.099 57.017 56.287 -0.615 0.000 0.952 350 K CB -0.070 32.064 32.500 -0.610 0.000 0.753 350 K HN 0.333 nan 8.250 nan 0.000 0.466 351 A N 0.771 123.511 122.820 -0.133 0.000 2.178 351 A HA 0.101 4.421 4.320 -0.000 0.000 0.211 351 A C 0.948 178.521 177.584 -0.018 0.000 1.157 351 A CA 0.075 52.080 52.037 -0.053 0.000 0.780 351 A CB -0.134 18.864 19.000 -0.004 0.000 0.828 351 A HN 0.128 nan 8.150 nan 0.000 0.476 352 M N 0.921 120.517 119.600 -0.007 0.000 2.226 352 M HA 0.175 4.654 4.480 -0.000 0.000 0.324 352 M C 0.587 176.911 176.300 0.041 0.000 1.112 352 M CA -0.106 55.210 55.300 0.027 0.000 1.176 352 M CB 0.684 33.315 32.600 0.051 0.000 1.430 352 M HN 0.377 nan 8.290 nan 0.000 0.462 353 K N 0.663 121.092 120.400 0.048 0.000 2.138 353 K HA 0.156 4.476 4.320 -0.000 0.000 0.251 353 K C -0.611 176.047 176.600 0.096 0.000 1.015 353 K CA -0.767 55.557 56.287 0.061 0.000 0.917 353 K CB 0.433 32.965 32.500 0.053 0.000 1.021 353 K HN 0.456 nan 8.250 nan 0.000 0.485 354 D N 0.739 121.209 120.400 0.117 0.000 2.450 354 D HA -0.068 4.572 4.640 -0.000 0.000 0.247 354 D C -0.218 176.228 176.300 0.243 0.000 1.162 354 D CA 0.861 54.969 54.000 0.180 0.000 0.879 354 D CB 0.026 40.940 40.800 0.190 0.000 1.163 354 D HN 0.791 nan 8.370 nan 0.000 0.472 355 H N 0.300 119.414 119.070 0.074 0.000 3.080 355 H HA -0.202 4.354 4.556 -0.000 0.000 0.254 355 H C 0.072 175.434 175.328 0.058 0.000 1.179 355 H CA 0.509 56.595 56.048 0.062 0.000 1.144 355 H CB -1.543 28.246 29.762 0.045 0.000 1.261 355 H HN 0.532 nan 8.280 nan 0.000 0.333 356 A N 0.943 123.832 122.820 0.114 0.000 2.466 356 A HA 0.429 4.749 4.320 -0.000 0.000 0.238 356 A C 0.774 178.394 177.584 0.061 0.000 1.074 356 A CA 0.226 52.310 52.037 0.078 0.000 0.774 356 A CB 0.383 19.422 19.000 0.065 0.000 1.015 356 A HN 0.309 nan 8.150 nan 0.000 0.498 357 I N 0.749 121.351 120.570 0.052 0.000 2.412 357 I HA 0.416 4.586 4.170 -0.000 0.000 0.296 357 I C -0.565 175.576 176.117 0.041 0.000 0.987 357 I CA -0.521 60.807 61.300 0.046 0.000 1.180 357 I CB 1.663 39.688 38.000 0.042 0.000 1.340 357 I HN 0.552 nan 8.210 nan 0.000 0.455 358 L N 5.662 126.912 121.223 0.044 0.000 2.381 358 L HA 0.920 5.260 4.340 -0.000 0.000 0.274 358 L C -0.397 176.495 176.870 0.037 0.000 0.988 358 L CA 0.185 55.047 54.840 0.036 0.000 0.824 358 L CB 1.619 43.701 42.059 0.037 0.000 1.263 358 L HN 0.657 nan 8.230 nan 0.000 0.410 359 G N 2.649 111.467 108.800 0.029 0.000 2.695 359 G HA2 0.450 4.410 3.960 -0.000 0.000 0.290 359 G HA3 0.450 4.410 3.960 -0.000 0.000 0.290 359 G C -2.051 172.865 174.900 0.027 0.000 1.410 359 G CA -0.766 44.354 45.100 0.033 0.000 0.844 359 G HN 0.727 nan 8.290 nan 0.000 0.478 360 N N -0.701 118.018 118.700 0.031 0.000 2.258 360 N HA 0.514 5.253 4.740 -0.000 0.000 0.299 360 N C -0.164 175.359 175.510 0.022 0.000 1.047 360 N CA -0.807 52.260 53.050 0.028 0.000 0.814 360 N CB 2.114 40.623 38.487 0.036 0.000 1.413 360 N HN 0.350 nan 8.380 nan 0.000 0.478 361 I N 1.178 121.759 120.570 0.018 0.000 4.154 361 I HA 0.476 4.646 4.170 -0.000 0.000 0.334 361 I C 0.797 176.921 176.117 0.012 0.000 1.371 361 I CA -0.336 60.972 61.300 0.013 0.000 1.110 361 I CB -0.009 38.004 38.000 0.022 0.000 1.085 361 I HN 0.654 nan 8.210 nan 0.000 0.398 362 G N -0.783 108.029 108.800 0.021 0.000 2.634 362 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.255 362 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.255 362 G C 0.433 175.339 174.900 0.010 0.000 1.205 362 G CA 0.068 45.188 45.100 0.034 0.000 0.884 362 G HN 0.409 nan 8.290 nan 0.000 0.549 363 H N -0.167 118.845 119.070 -0.096 0.000 2.353 363 H HA 0.037 4.593 4.556 -0.000 0.000 0.300 363 H C 0.161 175.307 175.328 -0.303 0.000 1.090 363 H CA 1.173 57.078 56.048 -0.238 0.000 1.327 363 H CB -0.047 29.462 29.762 -0.420 0.000 1.383 363 H HN 0.237 nan 8.280 nan 0.000 0.508 364 F N 0.470 120.428 119.950 0.013 0.000 2.483 364 F HA 0.162 4.689 4.527 -0.000 0.000 0.329 364 F C 1.404 177.182 175.800 -0.038 0.000 1.064 364 F CA -1.035 56.933 58.000 -0.053 0.000 0.986 364 F CB 1.196 40.221 39.000 0.041 0.000 1.218 364 F HN 0.232 nan 8.300 nan 0.000 0.484 365 D N -0.196 120.308 120.400 0.173 0.000 2.348 365 D HA -0.150 4.490 4.640 -0.000 0.000 0.216 365 D C 0.812 177.155 176.300 0.073 0.000 0.970 365 D CA 0.730 54.784 54.000 0.089 0.000 0.889 365 D CB -0.462 40.374 40.800 0.060 0.000 0.912 365 D HN 0.545 nan 8.370 nan 0.000 0.524 366 N N 1.459 120.208 118.700 0.082 0.000 2.571 366 N HA -0.156 4.583 4.740 -0.000 0.000 0.189 366 N C 1.168 176.703 175.510 0.041 0.000 1.154 366 N CA 0.345 53.416 53.050 0.035 0.000 0.907 366 N CB -0.447 38.035 38.487 -0.008 0.000 0.977 366 N HN 0.331 nan 8.380 nan 0.000 0.449 367 E N 0.127 120.365 120.200 0.064 0.000 2.160 367 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 367 E C 0.192 176.813 176.600 0.035 0.000 0.991 367 E CA 0.725 57.154 56.400 0.049 0.000 0.810 367 E CB 0.088 29.819 29.700 0.051 0.000 0.742 367 E HN 0.501 nan 8.360 nan 0.000 0.466 368 I N 1.795 122.382 120.570 0.029 0.000 2.354 368 I HA 0.045 4.214 4.170 -0.000 0.000 0.292 368 I C 0.053 176.169 176.117 -0.001 0.000 0.989 368 I CA -0.634 60.676 61.300 0.016 0.000 1.188 368 I CB 1.442 39.448 38.000 0.010 0.000 1.342 368 I HN -0.226 nan 8.210 nan 0.000 0.457 369 D N 7.056 127.450 120.400 -0.011 0.000 2.745 369 D HA 0.025 4.665 4.640 -0.000 0.000 0.229 369 D C 1.237 177.498 176.300 -0.066 0.000 1.088 369 D CA 0.153 54.134 54.000 -0.031 0.000 1.054 369 D CB 0.475 41.255 40.800 -0.033 0.000 1.132 369 D HN 0.338 nan 8.370 nan 0.000 0.464 370 M N 0.734 120.298 119.600 -0.061 0.000 2.159 370 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 370 M C 2.091 178.335 176.300 -0.093 0.000 1.063 370 M CA 0.854 56.095 55.300 -0.100 0.000 1.110 370 M CB -1.188 31.391 32.600 -0.035 0.000 1.374 370 M HN 0.380 nan 8.290 nan 0.000 0.411 371 A N 0.547 123.341 122.820 -0.043 0.000 1.883 371 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 371 A C 2.470 180.028 177.584 -0.042 0.000 1.186 371 A CA 2.178 54.200 52.037 -0.025 0.000 0.624 371 A CB -1.512 17.483 19.000 -0.009 0.000 0.822 371 A HN 0.514 nan 8.150 nan 0.000 0.444 372 G N -0.485 108.284 108.800 -0.052 0.000 2.422 372 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.218 372 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.218 372 G C 1.483 176.342 174.900 -0.069 0.000 1.146 372 G CA 1.181 46.253 45.100 -0.046 0.000 0.769 372 G HN 0.504 nan 8.290 nan 0.000 0.547 373 L N 0.628 121.758 121.223 -0.155 0.000 2.017 373 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 373 L C 2.575 179.226 176.870 -0.365 0.000 1.073 373 L CA 2.103 56.760 54.840 -0.306 0.000 0.745 373 L CB -0.609 41.096 42.059 -0.591 0.000 0.894 373 L HN 0.345 nan 8.230 nan 0.000 0.432 374 E N -0.853 119.180 120.200 -0.278 0.000 2.150 374 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 374 E C 1.952 178.600 176.600 0.080 0.000 0.985 374 E CA 0.777 57.161 56.400 -0.027 0.000 0.814 374 E CB -0.028 29.714 29.700 0.070 0.000 0.752 374 E HN 0.441 nan 8.360 nan 0.000 0.466 375 R N 0.265 120.782 120.500 0.029 0.000 2.334 375 R HA 0.062 4.402 4.340 -0.000 0.000 0.216 375 R C 2.113 178.446 176.300 0.054 0.000 0.905 375 R CA 0.486 56.615 56.100 0.048 0.000 1.064 375 R CB 0.359 30.677 30.300 0.030 0.000 1.046 375 R HN 0.105 nan 8.270 nan 0.000 0.508 376 S N -0.889 114.846 115.700 0.057 0.000 2.453 376 S HA 0.001 4.470 4.470 -0.000 0.000 0.231 376 S C 1.551 176.222 174.600 0.119 0.000 1.005 376 S CA 0.944 59.202 58.200 0.096 0.000 0.949 376 S CB 0.267 63.564 63.200 0.161 0.000 0.774 376 S HN 0.437 nan 8.310 nan 0.000 0.510 377 G N 0.816 109.684 108.800 0.114 0.000 2.194 377 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.236 377 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.236 377 G C 0.293 175.253 174.900 0.101 0.000 0.987 377 G CA -0.029 45.135 45.100 0.107 0.000 0.635 377 G HN 1.322 nan 8.290 nan 0.000 0.520 378 A N 0.758 123.628 122.820 0.082 0.000 2.531 378 A HA 0.578 4.897 4.320 -0.000 0.000 0.236 378 A C 0.993 178.639 177.584 0.103 0.000 1.062 378 A CA 1.507 53.505 52.037 -0.065 0.000 0.760 378 A CB 0.072 18.816 19.000 -0.427 0.000 0.995 378 A HN 1.781 nan 8.150 nan 0.000 0.501 379 T N 0.370 114.912 114.554 -0.021 0.000 2.867 379 T HA 0.620 4.970 4.350 -0.000 0.000 0.282 379 T C -0.167 174.336 174.700 -0.327 0.000 1.000 379 T CA -0.759 61.274 62.100 -0.111 0.000 1.042 379 T CB 1.189 70.000 68.868 -0.095 0.000 0.973 379 T HN 0.759 nan 8.240 nan 0.000 0.465 380 R N 1.673 121.833 120.500 -0.567 0.000 2.445 380 R HA 0.640 4.980 4.340 -0.000 0.000 0.308 380 R C -1.642 174.339 176.300 -0.533 0.000 0.961 380 R CA -0.733 54.785 56.100 -0.971 0.000 0.862 380 R CB 1.323 30.769 30.300 -1.424 0.000 1.144 380 R HN 0.596 nan 8.270 nan 0.000 0.447 381 V N 5.067 124.712 119.914 -0.448 0.000 2.409 381 V HA 0.203 4.323 4.120 -0.000 0.000 0.291 381 V C -0.035 175.903 176.094 -0.261 0.000 1.020 381 V CA -0.969 61.167 62.300 -0.272 0.000 0.848 381 V CB 1.464 33.182 31.823 -0.175 0.000 0.990 381 V HN 0.796 nan 8.190 nan 0.000 0.430 382 N N 3.581 122.158 118.700 -0.205 0.000 2.475 382 N HA 0.108 4.848 4.740 -0.000 0.000 0.267 382 N C 0.615 176.064 175.510 -0.102 0.000 1.169 382 N CA -0.058 52.903 53.050 -0.149 0.000 0.947 382 N CB 1.889 40.309 38.487 -0.112 0.000 1.061 382 N HN 0.417 nan 8.380 nan 0.000 0.466 383 V N 4.025 123.889 119.914 -0.083 0.000 2.575 383 V HA 0.023 4.142 4.120 -0.000 0.000 0.242 383 V C 0.620 176.688 176.094 -0.044 0.000 1.045 383 V CA 1.196 63.463 62.300 -0.054 0.000 1.065 383 V CB -0.366 31.436 31.823 -0.037 0.000 0.717 383 V HN 0.843 nan 8.190 nan 0.000 0.467 384 K N -1.142 119.228 120.400 -0.050 0.000 2.735 384 K HA 0.353 4.673 4.320 -0.000 0.000 0.295 384 K C -3.405 173.159 176.600 -0.061 0.000 1.052 384 K CA -1.668 54.593 56.287 -0.044 0.000 0.853 384 K CB 0.976 33.458 32.500 -0.031 0.000 1.535 384 K HN -0.207 nan 8.250 nan 0.000 0.383 385 P HA 0.036 nan 4.420 nan 0.000 0.265 385 P C -0.895 176.316 177.300 -0.147 0.000 1.193 385 P CA 0.741 63.782 63.100 -0.099 0.000 0.765 385 P CB 0.438 32.095 31.700 -0.072 0.000 0.823 386 Q N -0.978 118.677 119.800 -0.241 0.000 2.452 386 Q HA -0.147 4.193 4.340 -0.000 0.000 0.248 386 Q C -0.711 175.218 176.000 -0.119 0.000 0.874 386 Q CA 1.007 56.647 55.803 -0.271 0.000 1.208 386 Q CB -2.180 26.377 28.738 -0.302 0.000 1.569 386 Q HN 0.237 nan 8.270 nan 0.000 0.579 387 V N 0.852 120.718 119.914 -0.081 0.000 2.482 387 V HA 0.494 4.613 4.120 -0.000 0.000 0.295 387 V C -0.371 175.698 176.094 -0.041 0.000 1.026 387 V CA -0.780 61.499 62.300 -0.035 0.000 0.856 387 V CB 2.072 33.878 31.823 -0.029 0.000 1.001 387 V HN 0.073 nan 8.190 nan 0.000 0.424 388 D N 3.633 124.029 120.400 -0.006 0.000 2.481 388 D HA 0.508 5.147 4.640 -0.000 0.000 0.244 388 D C -0.994 175.269 176.300 -0.062 0.000 1.057 388 D CA -0.467 53.481 54.000 -0.086 0.000 0.848 388 D CB 3.319 44.076 40.800 -0.072 0.000 1.388 388 D HN 0.375 nan 8.370 nan 0.000 0.475 389 L N 2.468 123.577 121.223 -0.191 0.000 2.280 389 L HA 0.431 4.771 4.340 -0.000 0.000 0.287 389 L C -1.574 175.144 176.870 -0.254 0.000 1.023 389 L CA -0.402 54.353 54.840 -0.141 0.000 0.819 389 L CB 0.689 42.666 42.059 -0.137 0.000 1.212 389 L HN 0.289 nan 8.230 nan 0.000 0.420 390 W N 4.094 125.299 121.300 -0.159 0.000 2.478 390 W HA 0.634 5.294 4.660 -0.000 0.000 0.318 390 W C -0.130 176.203 176.519 -0.311 0.000 1.062 390 W CA -0.392 56.807 57.345 -0.244 0.000 1.210 390 W CB 2.056 31.351 29.460 -0.276 0.000 1.325 390 W HN 0.386 nan 8.180 nan 0.000 0.496 391 T N 3.832 118.310 114.554 -0.126 0.000 2.829 391 T HA 0.465 4.815 4.350 -0.000 0.000 0.280 391 T C -1.140 173.421 174.700 -0.233 0.000 0.999 391 T CA -0.601 61.427 62.100 -0.120 0.000 0.983 391 T CB 0.631 69.474 68.868 -0.043 0.000 0.968 391 T HN -0.038 nan 8.240 nan 0.000 0.446 392 F N 1.840 121.847 119.950 0.096 0.000 2.361 392 F HA 0.433 4.960 4.527 -0.000 0.000 0.364 392 F C 1.508 177.343 175.800 0.058 0.000 1.120 392 F CA -0.853 57.193 58.000 0.077 0.000 1.102 392 F CB 1.032 40.067 39.000 0.060 0.000 1.183 392 F HN 0.791 nan 8.300 nan 0.000 0.476 393 G N 1.887 110.796 108.800 0.183 0.000 2.432 393 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 393 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 393 G C 1.447 176.418 174.900 0.119 0.000 1.135 393 G CA 0.993 46.165 45.100 0.120 0.000 0.767 393 G HN 0.673 nan 8.290 nan 0.000 0.550 394 D N 0.856 121.340 120.400 0.140 0.000 2.178 394 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 394 D C 2.188 178.535 176.300 0.078 0.000 0.974 394 D CA 1.966 56.022 54.000 0.092 0.000 0.841 394 D CB -0.903 39.942 40.800 0.075 0.000 0.953 394 D HN 0.433 nan 8.370 nan 0.000 0.478 395 T N -5.266 109.352 114.554 0.106 0.000 2.969 395 T HA 0.428 4.778 4.350 -0.000 0.000 0.250 395 T C 1.802 176.560 174.700 0.096 0.000 1.021 395 T CA 0.656 62.802 62.100 0.076 0.000 1.003 395 T CB 0.387 69.278 68.868 0.040 0.000 1.040 395 T HN 0.391 nan 8.240 nan 0.000 0.492 396 G N 1.847 110.726 108.800 0.132 0.000 2.176 396 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.253 396 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.253 396 G C 0.146 175.133 174.900 0.146 0.000 0.979 396 G CA -0.095 45.076 45.100 0.119 0.000 0.641 396 G HN 0.693 nan 8.290 nan 0.000 0.530 397 R N 0.520 121.134 120.500 0.190 0.000 2.459 397 R HA 0.617 4.957 4.340 -0.000 0.000 0.281 397 R C -0.214 176.227 176.300 0.235 0.000 1.050 397 R CA 0.035 56.256 56.100 0.203 0.000 1.055 397 R CB 1.139 31.555 30.300 0.194 0.000 1.045 397 R HN 0.212 nan 8.270 nan 0.000 0.495 398 S N 2.359 118.149 115.700 0.149 0.000 2.532 398 S HA 0.559 5.028 4.470 -0.000 0.000 0.301 398 S C -0.506 174.092 174.600 -0.004 0.000 1.083 398 S CA -0.777 57.446 58.200 0.038 0.000 1.025 398 S CB 1.397 64.521 63.200 -0.128 0.000 1.056 398 S HN 0.296 nan 8.310 nan 0.000 0.494 399 I N 1.944 122.546 120.570 0.053 0.000 2.646 399 I HA 0.480 4.650 4.170 -0.000 0.000 0.299 399 I C -0.426 175.719 176.117 0.046 0.000 1.036 399 I CA -1.012 60.324 61.300 0.061 0.000 1.074 399 I CB 1.640 39.739 38.000 0.165 0.000 1.258 399 I HN 0.598 nan 8.210 nan 0.000 0.430 400 I N 4.694 125.277 120.570 0.023 0.000 2.331 400 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 400 I C -0.361 175.816 176.117 0.100 0.000 0.998 400 I CA -0.645 60.684 61.300 0.048 0.000 1.267 400 I CB 1.525 39.538 38.000 0.021 0.000 1.386 400 I HN 0.103 nan 8.210 nan 0.000 0.476 401 V N 7.571 127.584 119.914 0.165 0.000 2.448 401 V HA 0.392 4.512 4.120 -0.000 0.000 0.295 401 V C 0.033 176.197 176.094 0.118 0.000 1.025 401 V CA -0.623 61.770 62.300 0.155 0.000 0.859 401 V CB 1.849 33.800 31.823 0.213 0.000 0.988 401 V HN 0.478 nan 8.190 nan 0.000 0.431 402 L N 3.637 124.906 121.223 0.077 0.000 2.289 402 L HA 0.392 4.732 4.340 -0.000 0.000 0.285 402 L C 1.011 177.915 176.870 0.057 0.000 1.049 402 L CA -0.202 54.666 54.840 0.047 0.000 0.804 402 L CB 1.488 43.569 42.059 0.036 0.000 1.195 402 L HN 0.869 nan 8.230 nan 0.000 0.428 403 S N 1.738 117.444 115.700 0.009 0.000 3.587 403 S HA -0.198 4.272 4.470 -0.000 0.000 0.337 403 S C 0.648 175.372 174.600 0.207 0.000 1.119 403 S CA 1.138 59.349 58.200 0.017 0.000 0.976 403 S CB -1.241 62.018 63.200 0.099 0.000 0.922 403 S HN 0.929 nan 8.310 nan 0.000 0.503 404 E N -1.527 118.780 120.200 0.178 0.000 2.365 404 E HA -0.294 4.055 4.350 -0.000 0.000 0.237 404 E C 1.048 177.764 176.600 0.193 0.000 1.238 404 E CA 0.704 57.253 56.400 0.248 0.000 0.718 404 E CB -2.068 27.846 29.700 0.356 0.000 1.218 404 E HN 1.417 nan 8.360 nan 0.000 0.387 405 G N -0.305 108.578 108.800 0.138 0.000 2.205 405 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.261 405 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.261 405 G C 0.394 175.350 174.900 0.093 0.000 0.980 405 G CA 0.515 45.670 45.100 0.092 0.000 0.632 405 G HN 0.285 nan 8.290 nan 0.000 0.533 406 R N 0.435 121.021 120.500 0.143 0.000 2.577 406 R HA 0.497 4.837 4.340 -0.000 0.000 0.269 406 R C 1.456 177.800 176.300 0.072 0.000 1.084 406 R CA -0.291 55.867 56.100 0.097 0.000 1.163 406 R CB 0.497 30.874 30.300 0.128 0.000 1.100 406 R HN 0.643 nan 8.270 nan 0.000 0.547 407 L N 1.825 123.047 121.223 -0.001 0.000 2.700 407 L HA -0.041 4.299 4.340 -0.000 0.000 0.276 407 L C 0.967 177.836 176.870 -0.002 0.000 1.200 407 L CA -0.146 54.679 54.840 -0.025 0.000 0.951 407 L CB -0.001 42.003 42.059 -0.093 0.000 1.226 407 L HN 0.675 nan 8.230 nan 0.000 0.489 408 L N 2.108 123.338 121.223 0.012 0.000 2.240 408 L HA 0.001 4.341 4.340 -0.000 0.000 0.211 408 L C 2.315 179.192 176.870 0.013 0.000 1.106 408 L CA 1.266 56.120 54.840 0.024 0.000 0.793 408 L CB -1.098 40.977 42.059 0.028 0.000 0.927 408 L HN 0.805 nan 8.230 nan 0.000 0.446 409 N N 1.470 120.171 118.700 0.002 0.000 2.120 409 N HA -0.223 4.517 4.740 -0.000 0.000 0.188 409 N C 1.712 177.215 175.510 -0.011 0.000 1.024 409 N CA 2.217 55.275 53.050 0.013 0.000 0.852 409 N CB -0.899 37.610 38.487 0.036 0.000 1.003 409 N HN 0.521 nan 8.380 nan 0.000 0.424 410 L N -0.344 120.836 121.223 -0.071 0.000 2.270 410 L HA 0.190 4.530 4.340 -0.000 0.000 0.210 410 L C 2.585 179.456 176.870 0.003 0.000 1.104 410 L CA 0.873 55.662 54.840 -0.085 0.000 0.804 410 L CB -0.428 41.471 42.059 -0.267 0.000 0.937 410 L HN 0.324 nan 8.230 nan 0.000 0.450 411 G N -0.451 108.368 108.800 0.032 0.000 2.395 411 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 411 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 411 G C 1.351 176.260 174.900 0.014 0.000 1.177 411 G CA 0.266 45.413 45.100 0.079 0.000 0.794 411 G HN 0.261 nan 8.290 nan 0.000 0.532 412 N N 0.566 119.269 118.700 0.005 0.000 2.424 412 N HA 0.235 4.975 4.740 -0.000 0.000 0.178 412 N C 1.056 176.576 175.510 0.017 0.000 1.060 412 N CA 0.740 53.788 53.050 -0.004 0.000 0.901 412 N CB 0.738 39.225 38.487 -0.001 0.000 0.979 412 N HN 0.403 nan 8.380 nan 0.000 0.451 413 A N 0.198 123.037 122.820 0.032 0.000 3.955 413 A HA 0.430 4.750 4.320 -0.000 0.000 0.175 413 A C 0.613 178.234 177.584 0.061 0.000 0.682 413 A CA 0.167 52.234 52.037 0.051 0.000 0.834 413 A CB -0.038 19.000 19.000 0.063 0.000 1.657 413 A HN 0.122 nan 8.150 nan 0.000 0.820 414 T N -2.594 112.006 114.554 0.078 0.000 3.200 414 T HA 0.525 4.875 4.350 -0.000 0.000 0.284 414 T C 0.988 175.722 174.700 0.056 0.000 1.009 414 T CA 1.187 63.335 62.100 0.079 0.000 0.907 414 T CB -0.453 68.478 68.868 0.104 0.000 1.120 414 T HN 2.543 nan 8.240 nan 0.000 0.534 415 G N 1.611 110.431 108.800 0.033 0.000 2.698 415 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.233 415 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.233 415 G C -0.508 174.453 174.900 0.101 0.000 1.352 415 G CA -0.540 44.545 45.100 -0.026 0.000 0.879 415 G HN 0.809 nan 8.290 nan 0.000 0.567 416 H N 1.850 120.911 119.070 -0.015 0.000 2.852 416 H HA 0.305 4.861 4.556 0.000 0.000 0.362 416 H C -1.517 173.752 175.328 -0.098 0.000 1.122 416 H CA -0.343 55.677 56.048 -0.047 0.000 1.419 416 H CB 0.629 30.349 29.762 -0.071 0.000 1.401 416 H HN 0.488 nan 8.280 nan 0.000 0.609 417 P HA -0.012 nan 4.420 nan 0.000 0.274 417 P C 0.232 177.512 177.300 -0.034 0.000 1.231 417 P CA -0.192 62.818 63.100 -0.149 0.000 0.790 417 P CB 1.230 32.670 31.700 -0.434 0.000 0.951 418 S N 1.549 117.258 115.700 0.014 0.000 2.378 418 S HA -0.249 4.221 4.470 -0.000 0.000 0.229 418 S C 1.532 176.166 174.600 0.058 0.000 1.052 418 S CA 1.624 59.850 58.200 0.044 0.000 1.084 418 S CB -1.248 62.000 63.200 0.081 0.000 0.950 418 S HN 0.574 nan 8.310 nan 0.000 0.440 419 F N 1.678 121.612 119.950 -0.027 0.000 2.216 419 F HA -0.096 4.431 4.527 -0.001 0.000 0.300 419 F C 2.172 177.941 175.800 -0.051 0.000 1.085 419 F CA 0.795 58.799 58.000 0.006 0.000 1.326 419 F CB -0.197 38.813 39.000 0.017 0.000 1.027 419 F HN -0.029 nan 8.300 nan 0.000 0.497 420 V N 0.026 119.978 119.914 0.063 0.000 2.323 420 V HA -0.298 3.822 4.120 -0.000 0.000 0.244 420 V C 2.323 178.312 176.094 -0.175 0.000 1.041 420 V CA 1.593 63.867 62.300 -0.043 0.000 1.025 420 V CB -0.455 31.346 31.823 -0.036 0.000 0.656 420 V HN 0.253 nan 8.190 nan 0.000 0.451 421 M N -0.323 119.162 119.600 -0.191 0.000 2.460 421 M HA -0.079 4.400 4.480 -0.000 0.000 0.263 421 M C 2.391 178.463 176.300 -0.380 0.000 1.071 421 M CA 1.376 56.417 55.300 -0.433 0.000 1.096 421 M CB -1.630 30.649 32.600 -0.536 0.000 1.408 421 M HN 0.447 nan 8.290 nan 0.000 0.463 422 S N 0.874 116.443 115.700 -0.218 0.000 2.399 422 S HA -0.139 4.331 4.470 -0.000 0.000 0.231 422 S C 1.706 176.223 174.600 -0.139 0.000 1.022 422 S CA 1.506 59.652 58.200 -0.090 0.000 0.983 422 S CB -0.070 63.089 63.200 -0.068 0.000 0.803 422 S HN 0.452 nan 8.310 nan 0.000 0.480 423 N N 1.189 119.636 118.700 -0.422 0.000 2.080 423 N HA 0.025 4.764 4.740 -0.000 0.000 0.189 423 N C 1.970 177.382 175.510 -0.163 0.000 1.036 423 N CA 1.677 54.484 53.050 -0.404 0.000 0.846 423 N CB -0.643 37.554 38.487 -0.484 0.000 1.015 423 N HN 0.331 nan 8.380 nan 0.000 0.423 424 S N 0.053 115.649 115.700 -0.173 0.000 2.368 424 S HA -0.040 4.429 4.470 -0.000 0.000 0.225 424 S C 1.438 176.135 174.600 0.162 0.000 1.030 424 S CA 0.823 58.981 58.200 -0.069 0.000 0.999 424 S CB -0.280 62.791 63.200 -0.215 0.000 0.844 424 S HN 0.247 nan 8.310 nan 0.000 0.459 425 F N 1.468 121.418 119.950 0.000 0.000 2.512 425 F HA 0.338 4.865 4.527 0.000 0.000 0.296 425 F C 2.426 178.225 175.800 -0.001 0.000 1.110 425 F CA -0.478 57.527 58.000 0.007 0.000 1.446 425 F CB -1.365 37.636 39.000 0.002 0.000 1.092 425 F HN 0.158 nan 8.300 nan 0.000 0.554 426 A N 0.658 123.590 122.820 0.187 0.000 1.877 426 A HA -0.226 4.093 4.320 -0.000 0.000 0.216 426 A C 2.073 179.707 177.584 0.083 0.000 1.186 426 A CA 2.009 54.111 52.037 0.108 0.000 0.620 426 A CB -1.110 17.956 19.000 0.109 0.000 0.822 426 A HN 0.405 nan 8.150 nan 0.000 0.443 427 N N -0.863 117.884 118.700 0.078 0.000 2.084 427 N HA -0.214 4.526 4.740 -0.000 0.000 0.190 427 N C 2.028 177.581 175.510 0.071 0.000 1.030 427 N CA 1.574 54.661 53.050 0.061 0.000 0.849 427 N CB -0.197 38.320 38.487 0.051 0.000 1.012 427 N HN 0.655 nan 8.380 nan 0.000 0.423 428 Q N 0.031 119.903 119.800 0.119 0.000 2.124 428 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 428 Q C 1.656 177.676 176.000 0.033 0.000 0.977 428 Q CA 1.543 57.401 55.803 0.092 0.000 0.850 428 Q CB 0.061 28.884 28.738 0.141 0.000 0.901 428 Q HN 0.311 nan 8.270 nan 0.000 0.429 429 T N 0.407 114.979 114.554 0.029 0.000 2.777 429 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 429 T C 1.678 176.344 174.700 -0.056 0.000 1.040 429 T CA 1.188 63.272 62.100 -0.028 0.000 1.141 429 T CB -0.142 68.712 68.868 -0.023 0.000 0.868 429 T HN 0.251 nan 8.240 nan 0.000 0.444 430 I N 1.310 121.865 120.570 -0.024 0.000 2.226 430 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 430 I C 2.893 178.995 176.117 -0.025 0.000 1.100 430 I CA 1.083 62.364 61.300 -0.033 0.000 1.374 430 I CB -0.450 37.555 38.000 0.009 0.000 1.057 430 I HN 0.190 nan 8.210 nan 0.000 0.413 431 A N -0.015 122.802 122.820 -0.005 0.000 1.908 431 A HA -0.300 4.019 4.320 -0.000 0.000 0.218 431 A C 2.229 179.791 177.584 -0.036 0.000 1.181 431 A CA 1.922 53.955 52.037 -0.007 0.000 0.627 431 A CB -0.625 18.380 19.000 0.009 0.000 0.818 431 A HN 0.376 nan 8.150 nan 0.000 0.445 432 Q N -0.083 119.693 119.800 -0.039 0.000 2.050 432 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 432 Q C 1.837 177.826 176.000 -0.018 0.000 0.980 432 Q CA 1.755 57.531 55.803 -0.046 0.000 0.840 432 Q CB -0.436 28.263 28.738 -0.065 0.000 0.898 432 Q HN 0.720 nan 8.270 nan 0.000 0.424 433 I N 0.491 121.026 120.570 -0.059 0.000 2.127 433 I HA -0.302 3.867 4.170 -0.000 0.000 0.241 433 I C 2.120 178.252 176.117 0.024 0.000 1.075 433 I CA 1.328 62.592 61.300 -0.060 0.000 1.334 433 I CB -0.371 37.481 38.000 -0.247 0.000 1.040 433 I HN 0.234 nan 8.210 nan 0.000 0.405 434 E N 0.403 120.613 120.200 0.017 0.000 2.051 434 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 434 E C 2.168 178.794 176.600 0.044 0.000 0.991 434 E CA 1.241 57.686 56.400 0.076 0.000 0.799 434 E CB -0.448 29.322 29.700 0.115 0.000 0.748 434 E HN 0.291 nan 8.360 nan 0.000 0.449 435 L N 0.253 121.412 121.223 -0.107 0.000 2.156 435 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 435 L C 1.985 178.836 176.870 -0.032 0.000 1.095 435 L CA 1.308 55.982 54.840 -0.276 0.000 0.770 435 L CB -0.616 41.266 42.059 -0.296 0.000 0.914 435 L HN 0.318 nan 8.230 nan 0.000 0.439 436 W N -0.300 120.923 121.300 -0.128 0.000 2.481 436 W HA -0.155 4.504 4.660 -0.001 0.000 0.293 436 W C 2.011 178.498 176.519 -0.053 0.000 1.201 436 W CA 1.586 58.872 57.345 -0.098 0.000 1.328 436 W CB 0.014 29.414 29.460 -0.100 0.000 1.112 436 W HN 0.353 nan 8.180 nan 0.000 0.546 437 T N -1.808 112.734 114.554 -0.020 0.000 3.054 437 T HA 0.094 4.444 4.350 -0.000 0.000 0.259 437 T C 1.138 175.799 174.700 -0.065 0.000 1.092 437 T CA 0.572 62.623 62.100 -0.082 0.000 1.121 437 T CB -0.088 68.808 68.868 0.047 0.000 0.912 437 T HN -0.005 nan 8.240 nan 0.000 0.489 438 K N 0.802 121.206 120.400 0.008 0.000 2.676 438 K HA 0.320 4.640 4.320 -0.000 0.000 0.205 438 K C 1.375 178.048 176.600 0.121 0.000 1.084 438 K CA -0.270 56.051 56.287 0.057 0.000 1.057 438 K CB 0.164 32.729 32.500 0.108 0.000 0.791 438 K HN 0.197 nan 8.250 nan 0.000 0.484 439 N N 1.858 120.569 118.700 0.018 0.000 2.132 439 N HA -0.208 4.532 4.740 -0.000 0.000 0.191 439 N C 0.546 176.120 175.510 0.107 0.000 1.015 439 N CA 1.540 54.618 53.050 0.047 0.000 0.864 439 N CB 0.233 38.644 38.487 -0.127 0.000 1.006 439 N HN 0.232 nan 8.380 nan 0.000 0.430 440 D N 0.730 121.141 120.400 0.018 0.000 2.263 440 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 440 D C 1.055 177.351 176.300 -0.007 0.000 0.971 440 D CA 0.737 54.739 54.000 0.003 0.000 0.867 440 D CB -0.211 40.571 40.800 -0.029 0.000 0.929 440 D HN 0.516 nan 8.370 nan 0.000 0.492 441 E N -0.748 119.423 120.200 -0.047 0.000 2.511 441 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 441 E C -0.252 176.127 176.600 -0.368 0.000 1.066 441 E CA 0.228 56.496 56.400 -0.220 0.000 0.871 441 E CB 0.166 29.667 29.700 -0.332 0.000 0.863 441 E HN 0.358 nan 8.360 nan 0.000 0.520 442 Y N 0.649 120.881 120.300 -0.112 0.000 2.377 442 Y HA 0.218 4.768 4.550 -0.001 0.000 0.339 442 Y C 0.478 176.410 175.900 0.054 0.000 1.011 442 Y CA -1.146 56.863 58.100 -0.151 0.000 1.093 442 Y CB 1.198 39.499 38.460 -0.265 0.000 1.201 442 Y HN -0.182 nan 8.280 nan 0.000 0.455 443 D N 0.472 121.094 120.400 0.369 0.000 2.478 443 D HA 0.129 4.769 4.640 -0.000 0.000 0.263 443 D C -0.372 176.134 176.300 0.343 0.000 1.153 443 D CA -0.434 53.742 54.000 0.294 0.000 1.038 443 D CB 0.638 41.580 40.800 0.237 0.000 1.120 443 D HN 0.448 nan 8.370 nan 0.000 0.564 444 N N 1.304 120.124 118.700 0.200 0.000 3.193 444 N HA 0.085 4.825 4.740 -0.000 0.000 0.312 444 N C -0.492 175.085 175.510 0.112 0.000 1.261 444 N CA 0.280 53.414 53.050 0.140 0.000 1.208 444 N CB 0.038 38.555 38.487 0.051 0.000 1.471 444 N HN 0.293 nan 8.380 nan 0.000 0.548 445 E N -1.148 119.159 120.200 0.177 0.000 2.433 445 E HA 0.435 4.785 4.350 -0.000 0.000 0.273 445 E C -0.775 175.826 176.600 0.003 0.000 0.950 445 E CA -0.992 55.415 56.400 0.011 0.000 0.796 445 E CB 1.924 31.510 29.700 -0.191 0.000 1.330 445 E HN -0.135 nan 8.360 nan 0.000 0.455 446 V N 2.049 121.918 119.914 -0.075 0.000 2.432 446 V HA 0.257 4.376 4.120 -0.000 0.000 0.275 446 V C -1.016 175.002 176.094 -0.126 0.000 1.043 446 V CA -0.213 62.075 62.300 -0.019 0.000 0.925 446 V CB -0.323 31.452 31.823 -0.079 0.000 0.985 446 V HN 0.482 nan 8.190 nan 0.000 0.466 447 Y N 3.682 124.070 120.300 0.145 0.000 2.509 447 Y HA 0.714 5.263 4.550 -0.001 0.000 0.341 447 Y C 0.500 176.487 175.900 0.145 0.000 1.038 447 Y CA -0.993 57.212 58.100 0.175 0.000 1.089 447 Y CB 1.690 40.306 38.460 0.262 0.000 1.241 447 Y HN 0.473 nan 8.280 nan 0.000 0.468 448 R N 1.133 121.819 120.500 0.310 0.000 2.787 448 R HA 0.598 4.938 4.340 -0.000 0.000 0.271 448 R C -1.162 175.265 176.300 0.211 0.000 0.993 448 R CA -1.099 55.134 56.100 0.221 0.000 0.993 448 R CB 1.518 31.924 30.300 0.176 0.000 1.155 448 R HN 0.546 nan 8.270 nan 0.000 0.486 449 L N 2.976 124.286 121.223 0.146 0.000 2.461 449 L HA 0.203 4.543 4.340 -0.000 0.000 0.272 449 L C -1.783 175.138 176.870 0.084 0.000 1.197 449 L CA -1.699 53.201 54.840 0.100 0.000 0.836 449 L CB 0.129 42.214 42.059 0.043 0.000 1.105 449 L HN 0.299 nan 8.230 nan 0.000 0.477 450 P HA 0.001 nan 4.420 nan 0.000 0.269 450 P C 0.125 177.438 177.300 0.022 0.000 1.209 450 P CA -0.281 62.865 63.100 0.076 0.000 0.776 450 P CB 0.632 32.418 31.700 0.142 0.000 0.876 451 K N 1.913 122.376 120.400 0.104 0.000 2.152 451 K HA -0.231 4.089 4.320 -0.000 0.000 0.206 451 K C 2.010 178.661 176.600 0.085 0.000 1.048 451 K CA 1.309 57.661 56.287 0.110 0.000 0.933 451 K CB -0.340 32.252 32.500 0.154 0.000 0.721 451 K HN 0.628 nan 8.250 nan 0.000 0.447 452 H N 0.296 119.392 119.070 0.044 0.000 2.422 452 H HA -0.148 4.408 4.556 -0.001 0.000 0.298 452 H C 1.847 177.201 175.328 0.044 0.000 1.098 452 H CA 1.442 57.504 56.048 0.023 0.000 1.315 452 H CB -0.401 29.361 29.762 -0.001 0.000 1.382 452 H HN 0.255 nan 8.280 nan 0.000 0.523 453 L N 0.499 121.449 121.223 -0.456 0.000 2.131 453 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 453 L C 2.229 179.045 176.870 -0.090 0.000 1.087 453 L CA 0.937 55.602 54.840 -0.290 0.000 0.767 453 L CB -0.223 41.651 42.059 -0.308 0.000 0.917 453 L HN 0.136 nan 8.230 nan 0.000 0.441 454 D N 0.325 120.690 120.400 -0.058 0.000 2.117 454 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 454 D C 2.075 178.370 176.300 -0.008 0.000 0.987 454 D CA 1.091 55.075 54.000 -0.025 0.000 0.829 454 D CB -0.015 40.777 40.800 -0.012 0.000 0.961 454 D HN 0.349 nan 8.370 nan 0.000 0.460 455 E N 0.661 120.886 120.200 0.041 0.000 2.085 455 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 455 E C 1.993 178.641 176.600 0.080 0.000 0.994 455 E CA 0.901 57.357 56.400 0.093 0.000 0.801 455 E CB -0.078 29.722 29.700 0.166 0.000 0.743 455 E HN 0.235 nan 8.360 nan 0.000 0.453 456 K N 1.196 121.635 120.400 0.065 0.000 2.063 456 K HA -0.179 4.140 4.320 -0.000 0.000 0.208 456 K C 2.080 178.708 176.600 0.047 0.000 1.048 456 K CA 1.437 57.761 56.287 0.062 0.000 0.928 456 K CB -0.002 32.532 32.500 0.057 0.000 0.713 456 K HN -0.014 nan 8.250 nan 0.000 0.442 457 V N 1.251 121.187 119.914 0.036 0.000 2.307 457 V HA -0.203 3.916 4.120 -0.000 0.000 0.245 457 V C 2.533 178.688 176.094 0.103 0.000 1.045 457 V CA 1.895 64.231 62.300 0.061 0.000 1.024 457 V CB -0.734 31.100 31.823 0.019 0.000 0.651 457 V HN 0.517 nan 8.190 nan 0.000 0.449 458 A N 0.003 122.819 122.820 -0.006 0.000 1.902 458 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 458 A C 2.405 180.023 177.584 0.056 0.000 1.181 458 A CA 2.147 54.155 52.037 -0.047 0.000 0.623 458 A CB -0.606 18.336 19.000 -0.097 0.000 0.818 458 A HN 0.473 nan 8.150 nan 0.000 0.443 459 R N -0.380 120.157 120.500 0.062 0.000 2.091 459 R HA -0.112 4.227 4.340 -0.000 0.000 0.238 459 R C 1.926 178.246 176.300 0.034 0.000 1.136 459 R CA 1.761 57.899 56.100 0.064 0.000 0.959 459 R CB -0.435 29.910 30.300 0.075 0.000 0.856 459 R HN 0.569 nan 8.270 nan 0.000 0.437 460 I N -0.297 120.263 120.570 -0.016 0.000 2.264 460 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 460 I C 1.763 177.745 176.117 -0.225 0.000 1.111 460 I CA 1.618 62.828 61.300 -0.150 0.000 1.382 460 I CB -0.226 37.610 38.000 -0.273 0.000 1.060 460 I HN 0.317 nan 8.210 nan 0.000 0.418 461 H N -0.901 118.143 119.070 -0.044 0.000 2.403 461 H HA -0.035 4.520 4.556 -0.001 0.000 0.298 461 H C 2.247 177.663 175.328 0.148 0.000 1.059 461 H CA 1.026 57.082 56.048 0.013 0.000 1.363 461 H CB -0.199 29.479 29.762 -0.141 0.000 1.410 461 H HN 0.024 nan 8.280 nan 0.000 0.528 462 V N 0.960 120.979 119.914 0.175 0.000 2.287 462 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 462 V C 2.407 178.563 176.094 0.104 0.000 1.053 462 V CA 2.249 64.625 62.300 0.128 0.000 1.027 462 V CB -0.370 31.508 31.823 0.093 0.000 0.646 462 V HN 0.406 nan 8.190 nan 0.000 0.447 463 E N 0.780 121.031 120.200 0.086 0.000 2.077 463 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 463 E C 2.099 178.747 176.600 0.081 0.000 0.989 463 E CA 1.738 58.183 56.400 0.075 0.000 0.800 463 E CB -0.503 29.226 29.700 0.049 0.000 0.746 463 E HN 0.522 nan 8.360 nan 0.000 0.452 464 A N 0.256 123.137 122.820 0.102 0.000 1.972 464 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 464 A C 2.184 179.849 177.584 0.135 0.000 1.169 464 A CA 1.252 53.377 52.037 0.147 0.000 0.635 464 A CB -0.540 18.596 19.000 0.227 0.000 0.810 464 A HN 0.356 nan 8.150 nan 0.000 0.446 465 L N -1.353 119.948 121.223 0.131 0.000 2.554 465 L HA 0.153 4.492 4.340 -0.000 0.000 0.226 465 L C 1.622 178.475 176.870 -0.028 0.000 1.137 465 L CA 0.560 55.401 54.840 0.002 0.000 0.863 465 L CB -0.183 41.871 42.059 -0.008 0.000 0.985 465 L HN 0.596 nan 8.230 nan 0.000 0.451 466 G N 0.048 108.847 108.800 -0.002 0.000 2.137 466 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.237 466 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.237 466 G C 0.509 175.301 174.900 -0.181 0.000 1.002 466 G CA -0.137 44.940 45.100 -0.038 0.000 0.702 466 G HN 0.499 nan 8.290 nan 0.000 0.515 467 G N -1.044 107.696 108.800 -0.100 0.000 2.569 467 G HA2 0.532 4.492 3.960 -0.000 0.000 0.249 467 G HA3 0.532 4.492 3.960 -0.000 0.000 0.249 467 G C -0.467 174.400 174.900 -0.055 0.000 1.216 467 G CA -0.433 44.577 45.100 -0.150 0.000 0.845 467 G HN 0.592 nan 8.290 nan 0.000 0.568 468 H N 0.503 119.585 119.070 0.019 0.000 2.762 468 H HA 0.263 4.818 4.556 -0.003 0.000 0.310 468 H C -0.026 175.309 175.328 0.011 0.000 1.004 468 H CA -0.834 55.223 56.048 0.015 0.000 1.267 468 H CB 1.364 31.133 29.762 0.010 0.000 1.437 468 H HN 0.170 nan 8.280 nan 0.000 0.498 469 L N 2.852 124.154 121.223 0.132 0.000 2.453 469 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 469 L C 0.607 177.502 176.870 0.042 0.000 1.182 469 L CA 0.086 54.964 54.840 0.063 0.000 0.858 469 L CB 0.652 42.734 42.059 0.040 0.000 1.120 469 L HN 0.617 nan 8.230 nan 0.000 0.474 470 T N 3.199 117.760 114.554 0.012 0.000 2.910 470 T HA 0.150 4.500 4.350 -0.000 0.000 0.293 470 T C 0.048 174.739 174.700 -0.016 0.000 1.015 470 T CA -0.383 61.717 62.100 -0.001 0.000 1.094 470 T CB 1.028 69.889 68.868 -0.011 0.000 0.968 470 T HN 0.405 nan 8.240 nan 0.000 0.521 471 K N 3.167 123.567 120.400 -0.000 0.000 2.206 471 K HA 0.407 4.727 4.320 -0.000 0.000 0.264 471 K C -0.382 176.227 176.600 0.014 0.000 0.967 471 K CA -0.663 55.633 56.287 0.014 0.000 0.844 471 K CB 0.641 33.156 32.500 0.024 0.000 1.099 471 K HN 0.514 nan 8.250 nan 0.000 0.441 472 L N 3.710 124.951 121.223 0.029 0.000 2.485 472 L HA 0.046 4.385 4.340 -0.000 0.000 0.275 472 L C 1.008 177.903 176.870 0.041 0.000 1.207 472 L CA -0.033 54.831 54.840 0.039 0.000 0.855 472 L CB 0.698 42.807 42.059 0.082 0.000 1.114 472 L HN 0.831 nan 8.230 nan 0.000 0.485 473 T N -0.774 113.797 114.554 0.028 0.000 2.788 473 T HA 0.097 4.446 4.350 -0.000 0.000 0.287 473 T C 0.995 175.718 174.700 0.038 0.000 1.007 473 T CA -0.634 61.481 62.100 0.025 0.000 1.005 473 T CB 1.199 70.074 68.868 0.011 0.000 1.012 473 T HN 0.683 nan 8.240 nan 0.000 0.530 474 K N 0.451 120.870 120.400 0.032 0.000 2.032 474 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 474 K C 2.193 178.821 176.600 0.046 0.000 1.048 474 K CA 1.800 58.109 56.287 0.037 0.000 0.927 474 K CB -0.163 32.354 32.500 0.028 0.000 0.712 474 K HN 0.746 nan 8.250 nan 0.000 0.441 475 E N 0.309 120.531 120.200 0.037 0.000 2.077 475 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 475 E C 2.252 178.896 176.600 0.073 0.000 0.989 475 E CA 1.445 57.871 56.400 0.045 0.000 0.800 475 E CB 0.000 29.711 29.700 0.017 0.000 0.746 475 E HN 0.472 nan 8.360 nan 0.000 0.452 476 Q N 0.085 119.916 119.800 0.051 0.000 2.084 476 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 476 Q C 2.184 178.267 176.000 0.138 0.000 0.978 476 Q CA 1.271 57.121 55.803 0.078 0.000 0.844 476 Q CB -0.138 28.620 28.738 0.033 0.000 0.898 476 Q HN 0.206 nan 8.270 nan 0.000 0.426 477 A N 1.222 124.107 122.820 0.107 0.000 1.902 477 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 477 A C 1.948 179.595 177.584 0.104 0.000 1.181 477 A CA 1.588 53.691 52.037 0.110 0.000 0.623 477 A CB -0.522 18.532 19.000 0.090 0.000 0.818 477 A HN 0.414 nan 8.150 nan 0.000 0.443 478 E N -1.633 118.628 120.200 0.100 0.000 2.077 478 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 478 E C 1.828 178.499 176.600 0.118 0.000 0.989 478 E CA 1.411 57.864 56.400 0.089 0.000 0.800 478 E CB -0.292 29.456 29.700 0.080 0.000 0.746 478 E HN 0.713 nan 8.360 nan 0.000 0.452 479 Y N 1.002 121.313 120.300 0.018 0.000 2.181 479 Y HA -0.151 4.403 4.550 0.006 0.000 0.288 479 Y C 1.938 177.849 175.900 0.018 0.000 1.146 479 Y CA 1.518 59.628 58.100 0.016 0.000 1.164 479 Y CB -0.043 38.426 38.460 0.015 0.000 0.982 479 Y HN 0.030 nan 8.280 nan 0.000 0.515 480 L N -0.741 120.568 121.223 0.143 0.000 2.395 480 L HA 0.109 4.449 4.340 -0.000 0.000 0.218 480 L C 1.551 178.420 176.870 -0.002 0.000 1.130 480 L CA 0.726 55.595 54.840 0.050 0.000 0.826 480 L CB -0.833 41.297 42.059 0.118 0.000 0.941 480 L HN 0.468 nan 8.230 nan 0.000 0.451 481 G N 1.399 110.205 108.800 0.010 0.000 2.272 481 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.280 481 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.280 481 G C 0.015 174.921 174.900 0.010 0.000 1.067 481 G CA 0.387 45.488 45.100 0.002 0.000 0.902 481 G HN 0.305 nan 8.290 nan 0.000 0.500 482 V N -3.341 116.593 119.914 0.034 0.000 3.126 482 V HA 0.902 5.022 4.120 -0.000 0.000 0.314 482 V C 0.120 176.224 176.094 0.017 0.000 1.138 482 V CA -0.915 61.397 62.300 0.020 0.000 1.034 482 V CB 2.162 34.027 31.823 0.070 0.000 1.075 482 V HN 0.337 nan 8.190 nan 0.000 0.442 483 D N 0.573 120.952 120.400 -0.034 0.000 2.304 483 D HA 0.311 4.951 4.640 -0.000 0.000 0.247 483 D C 0.943 177.257 176.300 0.022 0.000 1.089 483 D CA 0.086 54.072 54.000 -0.025 0.000 0.910 483 D CB 1.909 42.670 40.800 -0.065 0.000 1.199 483 D HN 0.340 nan 8.370 nan 0.000 0.426 484 V N 2.695 122.649 119.914 0.068 0.000 2.469 484 V HA -0.169 3.950 4.120 -0.000 0.000 0.251 484 V C 1.682 177.891 176.094 0.191 0.000 1.064 484 V CA 1.665 64.053 62.300 0.147 0.000 1.066 484 V CB -0.530 31.350 31.823 0.095 0.000 0.667 484 V HN 0.623 nan 8.190 nan 0.000 0.461 485 E N 0.079 120.312 120.200 0.054 0.000 2.489 485 E HA 0.275 4.625 4.350 -0.000 0.000 0.193 485 E C 1.187 177.667 176.600 -0.200 0.000 1.057 485 E CA 0.738 57.153 56.400 0.024 0.000 0.866 485 E CB -0.124 29.578 29.700 0.005 0.000 0.916 485 E HN 0.606 nan 8.360 nan 0.000 0.500 486 G N 2.802 111.244 108.800 -0.597 0.000 2.782 486 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.228 486 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.228 486 G C -2.487 172.155 174.900 -0.429 0.000 1.372 486 G CA -0.591 43.869 45.100 -1.067 0.000 0.862 486 G HN 0.063 nan 8.290 nan 0.000 0.547 487 P HA 0.305 nan 4.420 nan 0.000 0.270 487 P C -0.267 176.792 177.300 -0.401 0.000 1.223 487 P CA 0.173 63.077 63.100 -0.327 0.000 0.785 487 P CB 0.277 31.945 31.700 -0.052 0.000 0.923 488 Y N -0.823 119.493 120.300 0.027 0.000 2.458 488 Y HA 0.220 4.772 4.550 0.003 0.000 0.254 488 Y C 1.071 176.900 175.900 -0.119 0.000 1.120 488 Y CA 0.424 58.508 58.100 -0.027 0.000 1.282 488 Y CB 0.350 38.803 38.460 -0.012 0.000 1.109 488 Y HN 0.083 nan 8.280 nan 0.000 0.526 489 K N 0.608 120.997 120.400 -0.020 0.000 2.435 489 K HA 0.422 4.742 4.320 -0.000 0.000 0.251 489 K C -2.907 173.617 176.600 -0.126 0.000 0.954 489 K CA -2.139 54.006 56.287 -0.237 0.000 0.820 489 K CB 1.430 33.628 32.500 -0.504 0.000 1.292 489 K HN -0.197 nan 8.250 nan 0.000 0.436 490 P HA 0.042 nan 4.420 nan 0.000 0.271 490 P C 0.315 177.541 177.300 -0.124 0.000 1.233 490 P CA -0.016 62.993 63.100 -0.152 0.000 0.789 490 P CB 0.626 32.150 31.700 -0.294 0.000 0.951 491 D N -0.375 120.019 120.400 -0.009 0.000 2.178 491 D HA -0.207 4.433 4.640 -0.000 0.000 0.201 491 D C 1.397 177.762 176.300 0.108 0.000 0.980 491 D CA 1.347 55.397 54.000 0.084 0.000 0.842 491 D CB -0.317 40.562 40.800 0.131 0.000 0.948 491 D HN 0.617 nan 8.370 nan 0.000 0.472 492 H N -2.734 116.406 119.070 0.117 0.000 2.533 492 H HA 0.109 4.665 4.556 -0.000 0.000 0.271 492 H C -0.086 175.303 175.328 0.101 0.000 1.000 492 H CA -0.506 55.600 56.048 0.097 0.000 1.149 492 H CB -1.006 28.792 29.762 0.060 0.000 1.375 492 H HN 0.098 nan 8.280 nan 0.000 0.582 493 Y N 2.622 122.721 120.300 -0.336 0.000 2.712 493 Y HA -0.018 4.532 4.550 -0.001 0.000 0.333 493 Y C 0.959 176.766 175.900 -0.154 0.000 1.225 493 Y CA 0.049 57.946 58.100 -0.339 0.000 1.499 493 Y CB 0.586 38.745 38.460 -0.502 0.000 1.288 493 Y HN 0.192 nan 8.280 nan 0.000 0.575 494 R N 3.852 123.938 120.500 -0.690 0.000 2.334 494 R HA 0.079 4.419 4.340 -0.000 0.000 0.212 494 R C -0.647 175.535 176.300 -0.198 0.000 0.897 494 R CA -0.123 55.797 56.100 -0.300 0.000 1.056 494 R CB -0.032 30.145 30.300 -0.204 0.000 1.046 494 R HN 0.787 nan 8.270 nan 0.000 0.513 495 Y N 0.000 119.937 120.300 -0.606 0.000 2.660 495 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 495 Y CA 0.000 58.020 58.100 -0.134 0.000 1.940 495 Y CB 0.000 38.541 38.460 0.134 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758