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 2oov_1_A DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPYGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD cKGVIHYLDA HFSDRAGDPI TVKNAVcIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLXPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.303 177.300 0.005 0.000 1.155 18 P CA 0.000 63.101 63.100 0.001 0.000 0.800 18 P CB 0.000 31.700 31.700 0.000 0.000 0.726 19 A N 1.901 124.724 122.820 0.005 0.000 2.561 19 A HA 0.253 4.572 4.320 -0.001 0.000 0.234 19 A C 0.611 178.203 177.584 0.013 0.000 1.055 19 A CA 0.110 52.153 52.037 0.010 0.000 0.756 19 A CB -0.016 18.991 19.000 0.011 0.000 0.986 19 A HN 0.444 nan 8.150 nan 0.000 0.505 20 R N 2.059 122.567 120.500 0.014 0.000 2.594 20 R HA 0.242 4.581 4.340 -0.001 0.000 0.272 20 R C -1.899 174.416 176.300 0.025 0.000 1.074 20 R CA -0.957 55.150 56.100 0.012 0.000 1.105 20 R CB 0.109 30.412 30.300 0.006 0.000 1.008 20 R HN 0.667 nan 8.270 nan 0.000 0.472 21 P HA 0.057 nan 4.420 nan 0.000 0.274 21 P C -0.116 177.229 177.300 0.076 0.000 1.246 21 P CA -0.151 62.984 63.100 0.059 0.000 0.795 21 P CB 0.645 32.388 31.700 0.071 0.000 1.006 22 A N 0.355 123.245 122.820 0.117 0.000 2.019 22 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 22 A C 0.938 178.649 177.584 0.213 0.000 1.164 22 A CA 1.455 53.584 52.037 0.153 0.000 0.644 22 A CB -1.051 18.047 19.000 0.164 0.000 0.805 22 A HN 0.812 nan 8.150 nan 0.000 0.449 23 H N -2.949 116.169 119.070 0.080 0.000 2.947 23 H HA 0.391 4.946 4.556 -0.001 0.000 0.354 23 H C -2.543 172.735 175.328 -0.084 0.000 1.085 23 H CA -1.501 54.583 56.048 0.061 0.000 1.253 23 H CB 1.827 31.701 29.762 0.187 0.000 1.757 23 H HN -0.124 nan 8.280 nan 0.000 0.523 24 P HA -0.133 nan 4.420 nan 0.000 0.220 24 P C 0.751 178.043 177.300 -0.014 0.000 1.144 24 P CA 1.194 64.157 63.100 -0.229 0.000 0.800 24 P CB 0.282 31.688 31.700 -0.490 0.000 0.772 25 L N -2.021 119.287 121.223 0.141 0.000 2.607 25 L HA 0.132 4.471 4.340 -0.001 0.000 0.228 25 L C 0.268 177.101 176.870 -0.062 0.000 1.123 25 L CA -0.174 54.562 54.840 -0.173 0.000 0.890 25 L CB -0.463 41.220 42.059 -0.626 0.000 1.103 25 L HN -0.127 nan 8.230 nan 0.000 0.468 26 D N 1.797 122.283 120.400 0.143 0.000 2.455 26 D HA 0.115 4.754 4.640 -0.001 0.000 0.241 26 D C -2.025 174.384 176.300 0.180 0.000 1.138 26 D CA -1.044 53.111 54.000 0.258 0.000 0.877 26 D CB 0.653 41.588 40.800 0.224 0.000 1.187 26 D HN -0.068 nan 8.370 nan 0.000 0.451 27 P HA 0.010 nan 4.420 nan 0.000 0.269 27 P C 0.034 177.430 177.300 0.161 0.000 1.217 27 P CA -0.233 62.982 63.100 0.191 0.000 0.783 27 P CB 0.497 32.333 31.700 0.227 0.000 0.898 28 L N 0.788 122.105 121.223 0.156 0.000 2.540 28 L HA 0.022 4.361 4.340 -0.001 0.000 0.276 28 L C 1.296 178.227 176.870 0.102 0.000 1.212 28 L CA 0.110 55.021 54.840 0.118 0.000 0.893 28 L CB -0.289 41.841 42.059 0.119 0.000 1.138 28 L HN 0.511 nan 8.230 nan 0.000 0.491 29 S N 0.409 116.132 115.700 0.040 0.000 2.608 29 S HA 0.076 4.546 4.470 -0.001 0.000 0.261 29 S C 1.370 175.899 174.600 -0.118 0.000 1.314 29 S CA -0.186 57.980 58.200 -0.057 0.000 0.992 29 S CB 1.219 64.385 63.200 -0.057 0.000 0.935 29 S HN 0.785 nan 8.310 nan 0.000 0.564 30 T N -1.116 113.266 114.554 -0.287 0.000 2.720 30 T HA -0.140 4.209 4.350 -0.001 0.000 0.268 30 T C 1.982 176.618 174.700 -0.106 0.000 1.037 30 T CA 1.270 63.248 62.100 -0.203 0.000 1.144 30 T CB -1.187 67.524 68.868 -0.261 0.000 0.864 30 T HN 0.923 nan 8.240 nan 0.000 0.444 31 A N 1.804 124.567 122.820 -0.095 0.000 1.933 31 A HA -0.092 4.227 4.320 -0.001 0.000 0.218 31 A C 2.325 179.886 177.584 -0.039 0.000 1.175 31 A CA 1.674 53.676 52.037 -0.058 0.000 0.628 31 A CB -0.691 18.282 19.000 -0.046 0.000 0.814 31 A HN 0.683 nan 8.150 nan 0.000 0.444 32 E N -0.474 119.710 120.200 -0.027 0.000 2.106 32 E HA -0.107 4.243 4.350 -0.001 0.000 0.192 32 E C 1.858 178.455 176.600 -0.005 0.000 0.984 32 E CA 0.999 57.396 56.400 -0.004 0.000 0.806 32 E CB -0.247 29.464 29.700 0.018 0.000 0.750 32 E HN 0.695 nan 8.360 nan 0.000 0.458 33 I N 1.118 121.683 120.570 -0.009 0.000 2.127 33 I HA -0.292 3.877 4.170 -0.001 0.000 0.241 33 I C 2.453 178.525 176.117 -0.076 0.000 1.075 33 I CA 1.070 62.359 61.300 -0.017 0.000 1.334 33 I CB -0.121 37.883 38.000 0.008 0.000 1.040 33 I HN -0.027 nan 8.210 nan 0.000 0.405 34 K N 1.394 121.748 120.400 -0.077 0.000 2.063 34 K HA -0.146 4.173 4.320 -0.001 0.000 0.208 34 K C 2.025 178.575 176.600 -0.083 0.000 1.048 34 K CA 1.770 58.000 56.287 -0.096 0.000 0.928 34 K CB -0.467 31.991 32.500 -0.070 0.000 0.713 34 K HN 0.310 nan 8.250 nan 0.000 0.442 35 A N 0.369 123.159 122.820 -0.051 0.000 1.902 35 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 35 A C 2.364 179.930 177.584 -0.031 0.000 1.181 35 A CA 2.079 54.097 52.037 -0.031 0.000 0.623 35 A CB -1.056 17.935 19.000 -0.014 0.000 0.818 35 A HN 0.414 nan 8.150 nan 0.000 0.443 36 A N -0.290 122.511 122.820 -0.032 0.000 1.902 36 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 36 A C 2.466 180.008 177.584 -0.070 0.000 1.181 36 A CA 2.593 54.619 52.037 -0.019 0.000 0.623 36 A CB -1.367 17.645 19.000 0.020 0.000 0.818 36 A HN 0.774 nan 8.150 nan 0.000 0.443 37 T N -2.256 112.184 114.554 -0.191 0.000 2.857 37 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 37 T C 1.684 176.317 174.700 -0.111 0.000 1.048 37 T CA 1.290 63.158 62.100 -0.386 0.000 1.139 37 T CB -0.528 67.781 68.868 -0.932 0.000 0.874 37 T HN 0.347 nan 8.240 nan 0.000 0.455 38 N N 1.464 120.116 118.700 -0.080 0.000 2.104 38 N HA -0.075 4.664 4.740 -0.001 0.000 0.190 38 N C 2.069 177.596 175.510 0.029 0.000 1.024 38 N CA 1.856 54.901 53.050 -0.008 0.000 0.853 38 N CB -0.998 37.479 38.487 -0.017 0.000 1.008 38 N HN 0.504 nan 8.380 nan 0.000 0.424 39 T N 0.921 115.483 114.554 0.014 0.000 2.708 39 T HA -0.063 4.286 4.350 -0.001 0.000 0.266 39 T C 2.155 176.883 174.700 0.047 0.000 1.037 39 T CA 1.066 63.181 62.100 0.025 0.000 1.146 39 T CB -0.367 68.505 68.868 0.008 0.000 0.865 39 T HN -0.017 nan 8.240 nan 0.000 0.435 40 V N 1.386 121.324 119.914 0.040 0.000 2.358 40 V HA -0.162 3.957 4.120 -0.001 0.000 0.246 40 V C 2.453 178.704 176.094 0.263 0.000 1.047 40 V CA 1.556 63.894 62.300 0.064 0.000 1.035 40 V CB -0.504 31.279 31.823 -0.068 0.000 0.658 40 V HN 0.455 nan 8.190 nan 0.000 0.452 41 K N -0.061 120.509 120.400 0.282 0.000 2.103 41 K HA -0.188 4.131 4.320 -0.001 0.000 0.207 41 K C 2.524 179.224 176.600 0.167 0.000 1.048 41 K CA 1.703 58.138 56.287 0.247 0.000 0.930 41 K CB -0.352 32.274 32.500 0.210 0.000 0.716 41 K HN 0.401 nan 8.250 nan 0.000 0.444 42 S N 0.122 115.893 115.700 0.117 0.000 2.355 42 S HA -0.179 4.290 4.470 -0.001 0.000 0.222 42 S C 1.876 176.495 174.600 0.031 0.000 1.031 42 S CA 0.884 59.123 58.200 0.064 0.000 0.993 42 S CB -0.342 62.886 63.200 0.048 0.000 0.859 42 S HN 0.379 nan 8.310 nan 0.000 0.453 43 Y N 0.782 121.014 120.300 -0.114 0.000 2.165 43 Y HA -0.060 4.489 4.550 -0.001 0.000 0.286 43 Y C 0.814 176.462 175.900 -0.419 0.000 1.155 43 Y CA 1.690 59.607 58.100 -0.305 0.000 1.164 43 Y CB -0.208 37.974 38.460 -0.463 0.000 0.978 43 Y HN 0.332 nan 8.280 nan 0.000 0.513 44 F N 0.588 120.598 119.950 0.101 0.000 2.916 44 F HA 0.436 4.962 4.527 -0.001 0.000 0.294 44 F C 0.839 176.631 175.800 -0.012 0.000 1.189 44 F CA -0.396 57.617 58.000 0.022 0.000 1.369 44 F CB -0.801 38.229 39.000 0.051 0.000 0.961 44 F HN -0.009 nan 8.300 nan 0.000 0.508 45 A N 0.083 122.943 122.820 0.065 0.000 2.511 45 A HA 0.427 4.746 4.320 -0.001 0.000 0.242 45 A C 1.534 179.142 177.584 0.039 0.000 1.069 45 A CA 0.889 52.954 52.037 0.047 0.000 0.763 45 A CB -0.452 18.551 19.000 0.005 0.000 1.001 45 A HN 1.061 nan 8.150 nan 0.000 0.498 46 G N 1.693 110.518 108.800 0.042 0.000 2.213 46 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.236 46 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.236 46 G C 0.258 175.180 174.900 0.036 0.000 0.991 46 G CA 0.604 45.722 45.100 0.030 0.000 0.629 46 G HN 0.848 nan 8.290 nan 0.000 0.517 47 K N 0.357 120.792 120.400 0.059 0.000 2.130 47 K HA 0.528 4.847 4.320 -0.001 0.000 0.268 47 K C -0.045 176.565 176.600 0.016 0.000 0.983 47 K CA -0.731 55.581 56.287 0.042 0.000 0.893 47 K CB 1.627 34.170 32.500 0.071 0.000 1.066 47 K HN 0.095 nan 8.250 nan 0.000 0.450 48 K N 4.571 124.964 120.400 -0.012 0.000 2.250 48 K HA 0.196 4.515 4.320 -0.001 0.000 0.285 48 K C -0.560 175.997 176.600 -0.072 0.000 1.097 48 K CA -0.269 56.003 56.287 -0.024 0.000 0.913 48 K CB -0.169 32.320 32.500 -0.017 0.000 1.179 48 K HN 0.563 nan 8.250 nan 0.000 0.462 49 I N 0.320 120.833 120.570 -0.095 0.000 2.797 49 I HA 0.636 4.805 4.170 -0.001 0.000 0.307 49 I C -0.751 175.251 176.117 -0.191 0.000 1.033 49 I CA -0.821 60.353 61.300 -0.209 0.000 1.071 49 I CB 2.339 40.128 38.000 -0.352 0.000 1.255 49 I HN 0.518 nan 8.210 nan 0.000 0.445 50 S N 2.781 118.327 115.700 -0.257 0.000 2.570 50 S HA 0.679 5.148 4.470 -0.001 0.000 0.286 50 S C -1.048 173.383 174.600 -0.281 0.000 1.099 50 S CA -0.668 57.444 58.200 -0.145 0.000 0.913 50 S CB 1.370 64.542 63.200 -0.047 0.000 1.085 50 S HN 0.506 nan 8.310 nan 0.000 0.480 51 F N 2.630 122.566 119.950 -0.023 0.000 2.411 51 F HA 0.465 4.991 4.527 -0.001 0.000 0.350 51 F C 1.763 177.558 175.800 -0.009 0.000 1.114 51 F CA -0.575 57.417 58.000 -0.012 0.000 1.135 51 F CB 1.255 40.256 39.000 0.001 0.000 1.120 51 F HN 0.841 nan 8.300 nan 0.000 0.495 52 N N 1.064 119.829 118.700 0.108 0.000 2.436 52 N HA 0.017 4.756 4.740 -0.001 0.000 0.178 52 N C -0.359 175.222 175.510 0.118 0.000 1.026 52 N CA 0.734 53.832 53.050 0.080 0.000 0.880 52 N CB 0.601 39.109 38.487 0.035 0.000 1.061 52 N HN 0.547 nan 8.380 nan 0.000 0.434 53 T N 0.703 115.300 114.554 0.071 0.000 3.032 53 T HA 0.465 4.814 4.350 -0.001 0.000 0.312 53 T C -1.304 173.392 174.700 -0.007 0.000 1.078 53 T CA -0.486 61.562 62.100 -0.087 0.000 1.028 53 T CB 2.653 71.315 68.868 -0.343 0.000 1.091 53 T HN -0.139 nan 8.240 nan 0.000 0.457 54 V N 2.706 122.631 119.914 0.019 0.000 2.462 54 V HA 0.758 4.877 4.120 -0.001 0.000 0.288 54 V C -0.193 175.960 176.094 0.099 0.000 1.020 54 V CA -0.473 61.882 62.300 0.091 0.000 0.857 54 V CB 1.607 33.490 31.823 0.100 0.000 1.013 54 V HN 0.991 nan 8.190 nan 0.000 0.431 55 T N 4.059 118.691 114.554 0.129 0.000 2.868 55 T HA 0.578 4.927 4.350 -0.001 0.000 0.306 55 T C -1.210 173.621 174.700 0.219 0.000 1.224 55 T CA -0.532 61.682 62.100 0.189 0.000 1.012 55 T CB 1.606 70.588 68.868 0.189 0.000 1.221 55 T HN 0.549 nan 8.240 nan 0.000 0.499 56 L N 3.336 124.680 121.223 0.201 0.000 2.540 56 L HA 0.462 4.801 4.340 -0.001 0.000 0.276 56 L C 0.338 177.301 176.870 0.156 0.000 1.212 56 L CA 0.241 55.176 54.840 0.158 0.000 0.893 56 L CB 0.254 42.392 42.059 0.132 0.000 1.138 56 L HN 0.612 nan 8.230 nan 0.000 0.491 57 R N 4.664 125.243 120.500 0.133 0.000 2.205 57 R HA 0.257 4.596 4.340 -0.001 0.000 0.342 57 R C -0.443 175.882 176.300 0.041 0.000 1.058 57 R CA -0.038 56.111 56.100 0.081 0.000 0.904 57 R CB -0.104 30.249 30.300 0.088 0.000 1.089 57 R HN 0.732 nan 8.270 nan 0.000 0.471 58 E N 5.659 125.869 120.200 0.016 0.000 2.413 58 E HA 0.079 4.428 4.350 -0.001 0.000 0.263 58 E C -1.867 174.739 176.600 0.010 0.000 1.015 58 E CA -1.449 54.950 56.400 -0.003 0.000 0.916 58 E CB 0.255 29.935 29.700 -0.035 0.000 0.947 58 E HN 0.543 nan 8.360 nan 0.000 0.440 59 P HA -0.030 nan 4.420 nan 0.000 0.268 59 P C -0.812 176.538 177.300 0.084 0.000 1.208 59 P CA -0.115 63.017 63.100 0.052 0.000 0.777 59 P CB 0.414 32.163 31.700 0.081 0.000 0.875 60 A N 2.638 125.506 122.820 0.080 0.000 2.587 60 A HA -0.093 4.226 4.320 -0.001 0.000 0.233 60 A C 1.863 179.515 177.584 0.114 0.000 1.049 60 A CA 0.150 52.246 52.037 0.098 0.000 0.754 60 A CB -0.411 18.634 19.000 0.075 0.000 0.977 60 A HN 0.673 nan 8.150 nan 0.000 0.509 61 R N 1.384 121.930 120.500 0.078 0.000 2.096 61 R HA -0.205 4.134 4.340 -0.001 0.000 0.240 61 R C 2.149 178.388 176.300 -0.100 0.000 1.139 61 R CA 2.252 58.266 56.100 -0.143 0.000 0.952 61 R CB -0.218 29.747 30.300 -0.559 0.000 0.854 61 R HN 0.878 nan 8.270 nan 0.000 0.436 62 K N -0.254 120.113 120.400 -0.055 0.000 2.009 62 K HA -0.157 4.162 4.320 -0.001 0.000 0.210 62 K C 1.943 178.562 176.600 0.032 0.000 1.049 62 K CA 1.638 57.910 56.287 -0.026 0.000 0.929 62 K CB -0.229 32.268 32.500 -0.004 0.000 0.714 62 K HN 0.262 nan 8.250 nan 0.000 0.440 63 A N 0.357 123.216 122.820 0.066 0.000 1.902 63 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 63 A C 2.090 179.760 177.584 0.143 0.000 1.181 63 A CA 1.512 53.601 52.037 0.088 0.000 0.623 63 A CB -0.927 18.117 19.000 0.074 0.000 0.818 63 A HN 0.615 nan 8.150 nan 0.000 0.443 64 Y N 0.427 120.775 120.300 0.080 0.000 2.145 64 Y HA -0.185 4.365 4.550 -0.001 0.000 0.286 64 Y C 2.024 178.062 175.900 0.229 0.000 1.145 64 Y CA 1.938 60.138 58.100 0.168 0.000 1.148 64 Y CB -0.247 38.327 38.460 0.190 0.000 0.981 64 Y HN 0.264 nan 8.280 nan 0.000 0.507 65 I N 0.038 120.711 120.570 0.171 0.000 2.252 65 I HA -0.336 3.833 4.170 -0.001 0.000 0.245 65 I C 2.467 178.564 176.117 -0.034 0.000 1.102 65 I CA 1.448 62.783 61.300 0.058 0.000 1.385 65 I CB -0.525 37.494 38.000 0.032 0.000 1.064 65 I HN 0.348 nan 8.210 nan 0.000 0.414 66 Q N -0.285 119.514 119.800 -0.002 0.000 2.061 66 Q HA -0.288 4.051 4.340 -0.001 0.000 0.204 66 Q C 2.061 178.043 176.000 -0.030 0.000 0.984 66 Q CA 2.378 58.174 55.803 -0.012 0.000 0.846 66 Q CB -0.332 28.419 28.738 0.021 0.000 0.902 66 Q HN 0.638 nan 8.270 nan 0.000 0.421 67 W N 1.745 122.934 121.300 -0.185 0.000 2.355 67 W HA -0.233 4.426 4.660 -0.002 0.000 0.309 67 W C 2.194 178.549 176.519 -0.273 0.000 1.206 67 W CA 1.729 58.942 57.345 -0.221 0.000 1.284 67 W CB -0.061 29.248 29.460 -0.251 0.000 1.145 67 W HN -0.073 nan 8.180 nan 0.000 0.502 68 K N 0.511 120.605 120.400 -0.511 0.000 2.103 68 K HA -0.121 4.198 4.320 -0.001 0.000 0.204 68 K C 1.536 177.848 176.600 -0.480 0.000 1.052 68 K CA 2.180 58.017 56.287 -0.750 0.000 0.945 68 K CB -0.217 31.994 32.500 -0.481 0.000 0.722 68 K HN 0.331 nan 8.250 nan 0.000 0.443 69 E N -1.343 118.684 120.200 -0.288 0.000 2.572 69 E HA 0.110 4.460 4.350 -0.001 0.000 0.220 69 E C 0.357 176.866 176.600 -0.151 0.000 0.945 69 E CA 0.008 56.299 56.400 -0.181 0.000 1.070 69 E CB 0.886 30.530 29.700 -0.095 0.000 1.090 69 E HN 0.238 nan 8.360 nan 0.000 0.506 70 Q N -0.406 119.297 119.800 -0.161 0.000 2.093 70 Q HA 0.197 4.536 4.340 -0.001 0.000 0.217 70 Q C 0.470 176.402 176.000 -0.114 0.000 0.785 70 Q CA 0.172 55.909 55.803 -0.110 0.000 1.038 70 Q CB 1.787 30.483 28.738 -0.071 0.000 1.190 70 Q HN 0.275 nan 8.270 nan 0.000 0.468 71 G N 1.045 109.741 108.800 -0.174 0.000 2.283 71 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.280 71 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.280 71 G C 0.414 175.263 174.900 -0.085 0.000 1.029 71 G CA 0.130 45.138 45.100 -0.153 0.000 0.840 71 G HN 0.469 nan 8.290 nan 0.000 0.505 72 G N -0.414 108.347 108.800 -0.065 0.000 2.621 72 G HA2 0.626 4.585 3.960 -0.001 0.000 0.271 72 G HA3 0.626 4.585 3.960 -0.001 0.000 0.271 72 G C -1.688 173.270 174.900 0.096 0.000 1.236 72 G CA -0.845 44.264 45.100 0.015 0.000 0.958 72 G HN 0.250 nan 8.290 nan 0.000 0.512 73 P HA 0.088 nan 4.420 nan 0.000 0.265 73 P C -0.184 177.214 177.300 0.164 0.000 1.187 73 P CA -0.398 62.764 63.100 0.104 0.000 0.766 73 P CB 0.576 32.312 31.700 0.060 0.000 0.820 74 L N 6.286 127.588 121.223 0.132 0.000 2.433 74 L HA 0.300 4.639 4.340 -0.001 0.000 0.275 74 L C -2.178 174.644 176.870 -0.081 0.000 1.128 74 L CA -1.686 53.155 54.840 0.002 0.000 0.875 74 L CB -0.514 41.544 42.059 -0.000 0.000 1.171 74 L HN 0.277 nan 8.230 nan 0.000 0.463 75 P HA 0.247 nan 4.420 nan 0.000 0.271 75 P C -2.521 174.725 177.300 -0.090 0.000 1.216 75 P CA -0.914 62.129 63.100 -0.095 0.000 0.776 75 P CB -0.254 31.389 31.700 -0.095 0.000 0.881 76 P HA 0.140 nan 4.420 nan 0.000 0.267 76 P C -0.300 176.985 177.300 -0.026 0.000 1.200 76 P CA -0.087 62.998 63.100 -0.024 0.000 0.772 76 P CB 0.413 32.113 31.700 -0.001 0.000 0.855 77 R N 2.852 123.341 120.500 -0.017 0.000 2.196 77 R HA 0.418 4.757 4.340 -0.001 0.000 0.340 77 R C -0.949 175.366 176.300 0.026 0.000 1.043 77 R CA 0.066 56.164 56.100 -0.004 0.000 0.883 77 R CB -0.692 29.605 30.300 -0.006 0.000 1.078 77 R HN 0.431 nan 8.270 nan 0.000 0.462 78 L N 3.063 124.311 121.223 0.042 0.000 2.362 78 L HA 0.761 5.100 4.340 -0.001 0.000 0.271 78 L C -0.442 176.491 176.870 0.104 0.000 1.002 78 L CA -1.339 53.543 54.840 0.071 0.000 0.818 78 L CB 2.219 44.318 42.059 0.068 0.000 1.298 78 L HN 0.695 nan 8.230 nan 0.000 0.420 79 A N 2.046 124.947 122.820 0.136 0.000 2.318 79 A HA 0.556 4.876 4.320 -0.001 0.000 0.324 79 A C -1.489 176.247 177.584 0.252 0.000 1.170 79 A CA -0.374 51.771 52.037 0.180 0.000 0.810 79 A CB 0.926 20.021 19.000 0.158 0.000 1.198 79 A HN 0.598 nan 8.150 nan 0.000 0.484 80 Y N 3.281 123.647 120.300 0.111 0.000 2.308 80 Y HA 0.563 5.112 4.550 -0.002 0.000 0.329 80 Y C -0.719 175.261 175.900 0.132 0.000 1.111 80 Y CA -0.767 57.372 58.100 0.066 0.000 1.179 80 Y CB 0.705 39.184 38.460 0.033 0.000 1.201 80 Y HN 0.699 nan 8.280 nan 0.000 0.483 81 Y N 3.291 123.297 120.300 -0.491 0.000 2.536 81 Y HA 0.823 5.372 4.550 -0.001 0.000 0.347 81 Y C -1.994 173.536 175.900 -0.616 0.000 1.000 81 Y CA -1.694 56.165 58.100 -0.401 0.000 1.051 81 Y CB 1.169 39.610 38.460 -0.032 0.000 1.259 81 Y HN 0.349 nan 8.280 nan 0.000 0.468 82 V N 4.947 124.731 119.914 -0.217 0.000 2.577 82 V HA 0.557 4.676 4.120 -0.001 0.000 0.303 82 V C -0.222 175.851 176.094 -0.036 0.000 1.042 82 V CA -0.778 61.426 62.300 -0.161 0.000 0.872 82 V CB 1.425 33.192 31.823 -0.093 0.000 0.998 82 V HN 0.871 nan 8.190 nan 0.000 0.423 83 I N 2.488 122.999 120.570 -0.098 0.000 2.892 83 I HA 0.714 4.883 4.170 -0.001 0.000 0.306 83 I C -1.234 174.740 176.117 -0.240 0.000 1.078 83 I CA -0.957 60.180 61.300 -0.270 0.000 1.032 83 I CB 2.306 39.997 38.000 -0.515 0.000 1.229 83 I HN 0.292 nan 8.210 nan 0.000 0.435 84 L N 2.127 123.204 121.223 -0.243 0.000 2.330 84 L HA 0.596 4.935 4.340 -0.001 0.000 0.271 84 L C -0.431 176.304 176.870 -0.226 0.000 1.013 84 L CA -0.487 54.238 54.840 -0.192 0.000 0.816 84 L CB 1.866 43.850 42.059 -0.126 0.000 1.287 84 L HN 0.782 nan 8.230 nan 0.000 0.435 85 E N 0.968 121.058 120.200 -0.184 0.000 2.234 85 E HA 0.522 4.871 4.350 -0.001 0.000 0.266 85 E C -0.757 175.783 176.600 -0.100 0.000 0.877 85 E CA -0.760 55.543 56.400 -0.163 0.000 0.758 85 E CB 2.170 31.762 29.700 -0.180 0.000 1.170 85 E HN 0.722 nan 8.360 nan 0.000 0.415 86 A N 2.807 125.581 122.820 -0.077 0.000 2.567 86 A HA 0.351 4.670 4.320 -0.001 0.000 0.240 86 A C 1.233 178.794 177.584 -0.040 0.000 1.053 86 A CA 1.061 53.068 52.037 -0.049 0.000 0.755 86 A CB -0.595 18.384 19.000 -0.035 0.000 0.978 86 A HN 1.180 nan 8.150 nan 0.000 0.507 87 G N 1.618 110.399 108.800 -0.031 0.000 2.155 87 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.257 87 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.257 87 G C 0.157 175.043 174.900 -0.023 0.000 0.983 87 G CA 0.804 45.890 45.100 -0.022 0.000 0.676 87 G HN 0.767 nan 8.290 nan 0.000 0.528 88 K N 0.738 121.116 120.400 -0.036 0.000 2.270 88 K HA 0.537 4.856 4.320 -0.001 0.000 0.255 88 K C -2.297 174.281 176.600 -0.037 0.000 0.936 88 K CA -1.758 54.508 56.287 -0.036 0.000 0.809 88 K CB 2.581 35.050 32.500 -0.052 0.000 1.131 88 K HN 0.151 nan 8.250 nan 0.000 0.427 89 P HA 0.213 nan 4.420 nan 0.000 0.277 89 P C 0.572 177.850 177.300 -0.036 0.000 1.240 89 P CA 0.191 63.279 63.100 -0.021 0.000 0.798 89 P CB 0.791 32.490 31.700 -0.003 0.000 0.979 90 G N 0.767 109.545 108.800 -0.038 0.000 2.550 90 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.277 90 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.277 90 G C -0.266 174.573 174.900 -0.101 0.000 1.190 90 G CA 0.590 45.653 45.100 -0.063 0.000 0.971 90 G HN 0.994 nan 8.290 nan 0.000 0.559 91 V N -3.607 116.225 119.914 -0.137 0.000 3.181 91 V HA 0.935 5.054 4.120 -0.001 0.000 0.308 91 V C -0.465 175.537 176.094 -0.153 0.000 1.214 91 V CA -0.680 61.517 62.300 -0.172 0.000 1.053 91 V CB 1.934 33.606 31.823 -0.251 0.000 1.069 91 V HN 1.024 nan 8.190 nan 0.000 0.441 92 K N 1.033 121.338 120.400 -0.159 0.000 2.318 92 K HA 0.712 5.031 4.320 -0.001 0.000 0.249 92 K C -0.973 175.556 176.600 -0.117 0.000 0.942 92 K CA -0.558 55.665 56.287 -0.107 0.000 0.808 92 K CB 2.327 34.749 32.500 -0.129 0.000 1.189 92 K HN 1.016 nan 8.250 nan 0.000 0.428 93 E N 0.330 120.447 120.200 -0.139 0.000 2.416 93 E HA 0.797 5.146 4.350 -0.001 0.000 0.273 93 E C -0.494 175.775 176.600 -0.553 0.000 0.935 93 E CA -1.257 54.914 56.400 -0.382 0.000 0.784 93 E CB 2.233 31.871 29.700 -0.102 0.000 1.301 93 E HN 0.637 nan 8.360 nan 0.000 0.454 94 G N 0.205 108.370 108.800 -1.057 0.000 2.340 94 G HA2 0.417 4.376 3.960 -0.001 0.000 0.299 94 G HA3 0.417 4.376 3.960 -0.001 0.000 0.299 94 G C -1.829 172.799 174.900 -0.454 0.000 1.291 94 G CA -1.003 43.692 45.100 -0.676 0.000 0.841 94 G HN 0.407 nan 8.290 nan 0.000 0.500 95 L N 0.024 121.238 121.223 -0.016 0.000 2.386 95 L HA 0.693 5.032 4.340 -0.001 0.000 0.271 95 L C -0.585 176.415 176.870 0.217 0.000 0.993 95 L CA -1.163 53.764 54.840 0.144 0.000 0.819 95 L CB 2.302 44.424 42.059 0.105 0.000 1.294 95 L HN 0.335 nan 8.230 nan 0.000 0.414 96 V N 1.064 121.113 119.914 0.225 0.000 2.417 96 V HA 0.173 4.292 4.120 -0.001 0.000 0.291 96 V C -0.540 175.609 176.094 0.093 0.000 1.024 96 V CA -0.504 61.882 62.300 0.143 0.000 0.861 96 V CB 1.940 33.843 31.823 0.133 0.000 0.985 96 V HN 0.702 nan 8.190 nan 0.000 0.436 97 D N 3.681 124.117 120.400 0.061 0.000 2.336 97 D HA 0.255 4.895 4.640 -0.001 0.000 0.249 97 D C 0.995 177.317 176.300 0.038 0.000 1.213 97 D CA -0.106 53.921 54.000 0.045 0.000 0.870 97 D CB 0.956 41.776 40.800 0.033 0.000 1.076 97 D HN 0.446 nan 8.370 nan 0.000 0.483 98 L N 3.559 124.804 121.223 0.037 0.000 2.141 98 L HA -0.086 4.253 4.340 -0.001 0.000 0.209 98 L C 2.387 179.269 176.870 0.020 0.000 1.094 98 L CA 1.040 55.897 54.840 0.029 0.000 0.763 98 L CB -0.329 41.748 42.059 0.029 0.000 0.908 98 L HN 0.567 nan 8.230 nan 0.000 0.437 99 A N -0.112 122.718 122.820 0.017 0.000 1.933 99 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 99 A C 2.355 179.947 177.584 0.014 0.000 1.175 99 A CA 2.072 54.116 52.037 0.013 0.000 0.628 99 A CB -0.478 18.528 19.000 0.010 0.000 0.814 99 A HN 0.507 nan 8.150 nan 0.000 0.444 100 S N -1.377 114.333 115.700 0.017 0.000 2.540 100 S HA 0.402 4.871 4.470 -0.001 0.000 0.218 100 S C 0.486 175.097 174.600 0.020 0.000 0.977 100 S CA 0.168 58.379 58.200 0.018 0.000 0.918 100 S CB -0.547 62.665 63.200 0.020 0.000 0.806 100 S HN 0.637 nan 8.310 nan 0.000 0.496 101 L N 1.556 122.791 121.223 0.020 0.000 3.762 101 L HA -0.173 4.166 4.340 -0.001 0.000 0.460 101 L C -0.567 176.318 176.870 0.025 0.000 1.255 101 L CA 0.120 54.972 54.840 0.020 0.000 0.783 101 L CB -2.508 39.561 42.059 0.016 0.000 1.600 101 L HN 0.356 nan 8.230 nan 0.000 0.862 102 S N -1.035 114.681 115.700 0.026 0.000 2.536 102 S HA 0.609 5.078 4.470 -0.001 0.000 0.287 102 S C 0.074 174.677 174.600 0.005 0.000 1.101 102 S CA -0.784 57.431 58.200 0.026 0.000 0.950 102 S CB 2.734 65.952 63.200 0.031 0.000 1.056 102 S HN 0.048 nan 8.310 nan 0.000 0.481 103 V N 3.848 123.731 119.914 -0.052 0.000 2.479 103 V HA 0.123 4.242 4.120 -0.001 0.000 0.281 103 V C 1.103 177.144 176.094 -0.088 0.000 1.031 103 V CA 0.211 62.425 62.300 -0.143 0.000 1.038 103 V CB -0.091 31.369 31.823 -0.604 0.000 0.981 103 V HN 0.898 nan 8.190 nan 0.000 0.478 104 I N 1.074 121.634 120.570 -0.017 0.000 4.070 104 I HA 0.529 4.698 4.170 -0.001 0.000 0.328 104 I C 0.597 176.717 176.117 0.006 0.000 1.298 104 I CA 0.335 61.637 61.300 0.004 0.000 1.173 104 I CB 0.472 38.487 38.000 0.025 0.000 1.051 104 I HN 0.566 nan 8.210 nan 0.000 0.409 105 E N 0.621 120.821 120.200 0.000 0.000 2.335 105 E HA 0.477 4.826 4.350 -0.001 0.000 0.280 105 E C -1.349 175.250 176.600 -0.002 0.000 0.918 105 E CA -0.498 55.907 56.400 0.009 0.000 0.765 105 E CB 2.452 32.165 29.700 0.022 0.000 1.218 105 E HN 0.118 nan 8.360 nan 0.000 0.425 106 T N 2.668 117.234 114.554 0.019 0.000 3.012 106 T HA 0.615 4.964 4.350 -0.001 0.000 0.330 106 T C -1.961 172.791 174.700 0.086 0.000 1.321 106 T CA -0.689 61.447 62.100 0.061 0.000 1.067 106 T CB 0.841 69.771 68.868 0.104 0.000 1.235 106 T HN 0.603 nan 8.240 nan 0.000 0.479 107 R N 2.105 122.653 120.500 0.079 0.000 2.680 107 R HA 0.839 5.179 4.340 -0.001 0.000 0.269 107 R C -1.500 174.834 176.300 0.058 0.000 1.026 107 R CA -1.210 54.935 56.100 0.075 0.000 0.889 107 R CB 1.297 31.628 30.300 0.051 0.000 1.241 107 R HN 0.680 nan 8.270 nan 0.000 0.463 108 A N 3.116 125.968 122.820 0.053 0.000 2.290 108 A HA 0.602 4.921 4.320 -0.001 0.000 0.310 108 A C -0.516 177.066 177.584 -0.003 0.000 1.202 108 A CA -0.880 51.167 52.037 0.018 0.000 0.837 108 A CB 0.605 19.622 19.000 0.030 0.000 1.139 108 A HN 0.616 nan 8.150 nan 0.000 0.509 109 L N 3.108 124.307 121.223 -0.039 0.000 2.384 109 L HA 0.320 4.659 4.340 -0.001 0.000 0.261 109 L C 0.641 177.479 176.870 -0.053 0.000 1.024 109 L CA -0.071 54.742 54.840 -0.045 0.000 0.899 109 L CB 1.080 43.093 42.059 -0.076 0.000 1.243 109 L HN 0.897 nan 8.230 nan 0.000 0.449 110 E N 0.376 120.563 120.200 -0.022 0.000 2.427 110 E HA -0.074 4.276 4.350 -0.001 0.000 0.196 110 E C 0.966 177.564 176.600 -0.002 0.000 1.028 110 E CA 1.068 57.459 56.400 -0.016 0.000 0.864 110 E CB 0.331 30.031 29.700 -0.001 0.000 0.813 110 E HN 0.677 nan 8.360 nan 0.000 0.514 111 T N -2.062 112.495 114.554 0.005 0.000 3.228 111 T HA 0.277 4.626 4.350 -0.001 0.000 0.278 111 T C 0.192 174.920 174.700 0.047 0.000 1.014 111 T CA -0.498 61.623 62.100 0.036 0.000 0.904 111 T CB -0.136 68.762 68.868 0.050 0.000 1.110 111 T HN -0.010 nan 8.240 nan 0.000 0.541 112 V N -2.094 117.824 119.914 0.007 0.000 3.113 112 V HA 0.841 4.960 4.120 -0.001 0.000 0.316 112 V C -1.555 174.536 176.094 -0.005 0.000 1.125 112 V CA -1.064 61.245 62.300 0.015 0.000 1.026 112 V CB 2.315 34.123 31.823 -0.024 0.000 1.080 112 V HN 0.158 nan 8.190 nan 0.000 0.444 113 Q N 1.731 121.555 119.800 0.040 0.000 2.372 113 Q HA 0.649 4.989 4.340 -0.001 0.000 0.273 113 Q C -2.861 173.178 176.000 0.065 0.000 1.078 113 Q CA -1.654 54.166 55.803 0.028 0.000 0.806 113 Q CB 2.862 31.636 28.738 0.059 0.000 1.332 113 Q HN 0.739 nan 8.270 nan 0.000 0.435 114 P HA 0.361 nan 4.420 nan 0.000 0.286 114 P C -0.053 177.319 177.300 0.119 0.000 1.292 114 P CA -0.839 62.357 63.100 0.159 0.000 0.842 114 P CB 1.347 33.118 31.700 0.118 0.000 1.207 115 I N 0.153 120.813 120.570 0.149 0.000 2.948 115 I HA -0.108 4.061 4.170 -0.001 0.000 0.303 115 I C -0.101 176.089 176.117 0.120 0.000 1.224 115 I CA 0.176 61.542 61.300 0.110 0.000 1.442 115 I CB 0.043 38.168 38.000 0.209 0.000 1.328 115 I HN 0.117 nan 8.210 nan 0.000 0.578 116 L N 7.679 128.955 121.223 0.089 0.000 2.260 116 L HA 0.253 4.592 4.340 -0.001 0.000 0.289 116 L C 0.634 177.586 176.870 0.137 0.000 1.057 116 L CA -0.451 54.464 54.840 0.125 0.000 0.811 116 L CB 0.872 43.040 42.059 0.182 0.000 1.184 116 L HN 0.670 nan 8.230 nan 0.000 0.429 117 T N -0.524 114.023 114.554 -0.011 0.000 2.816 117 T HA 0.203 4.552 4.350 -0.001 0.000 0.282 117 T C 1.416 176.039 174.700 -0.129 0.000 0.993 117 T CA -0.868 61.076 62.100 -0.261 0.000 0.994 117 T CB 1.434 70.041 68.868 -0.435 0.000 1.025 117 T HN 0.189 nan 8.240 nan 0.000 0.529 118 V N 1.405 121.209 119.914 -0.182 0.000 2.324 118 V HA -0.174 3.945 4.120 -0.001 0.000 0.250 118 V C 2.841 178.918 176.094 -0.028 0.000 1.060 118 V CA 2.228 64.495 62.300 -0.055 0.000 1.042 118 V CB -1.001 30.810 31.823 -0.021 0.000 0.650 118 V HN 0.936 nan 8.190 nan 0.000 0.450 119 E N -0.375 119.793 120.200 -0.053 0.000 2.051 119 E HA -0.233 4.116 4.350 -0.001 0.000 0.192 119 E C 2.022 178.620 176.600 -0.003 0.000 0.991 119 E CA 1.355 57.744 56.400 -0.019 0.000 0.799 119 E CB -0.249 29.438 29.700 -0.023 0.000 0.748 119 E HN 0.580 nan 8.360 nan 0.000 0.449 120 D N 0.527 120.921 120.400 -0.011 0.000 2.190 120 D HA -0.156 4.483 4.640 -0.001 0.000 0.200 120 D C 1.921 178.245 176.300 0.040 0.000 0.992 120 D CA 1.028 55.037 54.000 0.015 0.000 0.854 120 D CB 0.014 40.827 40.800 0.022 0.000 0.936 120 D HN 0.193 nan 8.370 nan 0.000 0.462 121 L N -0.642 120.609 121.223 0.048 0.000 2.253 121 L HA 0.034 4.374 4.340 -0.001 0.000 0.205 121 L C 2.378 179.286 176.870 0.062 0.000 1.078 121 L CA 0.155 55.037 54.840 0.071 0.000 0.805 121 L CB 0.016 42.119 42.059 0.073 0.000 0.963 121 L HN 0.005 nan 8.230 nan 0.000 0.459 122 C N 0.215 119.543 119.300 0.047 0.000 2.422 122 C HA -0.106 4.353 4.460 -0.001 0.000 0.286 122 C C 3.062 178.078 174.990 0.043 0.000 1.412 122 C CA 1.217 60.264 59.018 0.048 0.000 1.786 122 C CB -0.970 26.795 27.740 0.042 0.000 1.835 122 C HN 0.653 nan 8.230 nan 0.000 0.533 123 S N -0.276 115.447 115.700 0.037 0.000 2.453 123 S HA -0.119 4.351 4.470 -0.001 0.000 0.231 123 S C 1.491 176.110 174.600 0.032 0.000 1.005 123 S CA 1.661 59.878 58.200 0.029 0.000 0.949 123 S CB -0.722 62.493 63.200 0.024 0.000 0.774 123 S HN 0.620 nan 8.310 nan 0.000 0.510 124 T N 2.074 116.656 114.554 0.046 0.000 2.904 124 T HA 0.005 4.354 4.350 -0.001 0.000 0.267 124 T C 1.657 176.384 174.700 0.045 0.000 1.059 124 T CA 1.368 63.498 62.100 0.050 0.000 1.137 124 T CB -0.279 68.634 68.868 0.075 0.000 0.879 124 T HN 0.567 nan 8.240 nan 0.000 0.467 125 E N 0.877 121.103 120.200 0.044 0.000 2.077 125 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 125 E C 2.247 178.845 176.600 -0.003 0.000 0.989 125 E CA 1.084 57.497 56.400 0.022 0.000 0.800 125 E CB 0.005 29.710 29.700 0.009 0.000 0.746 125 E HN 0.580 nan 8.360 nan 0.000 0.452 126 E N -0.303 119.896 120.200 -0.001 0.000 2.106 126 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 126 E C 1.987 178.589 176.600 0.003 0.000 0.984 126 E CA 1.047 57.443 56.400 -0.006 0.000 0.806 126 E CB 0.203 29.901 29.700 -0.002 0.000 0.750 126 E HN 0.102 nan 8.360 nan 0.000 0.458 127 V N 2.040 121.961 119.914 0.011 0.000 2.261 127 V HA -0.284 3.835 4.120 -0.001 0.000 0.246 127 V C 2.525 178.630 176.094 0.018 0.000 1.047 127 V CA 2.069 64.377 62.300 0.013 0.000 1.015 127 V CB -0.668 31.164 31.823 0.015 0.000 0.642 127 V HN 0.517 nan 8.190 nan 0.000 0.446 128 I N -1.265 119.322 120.570 0.029 0.000 2.394 128 I HA -0.173 3.996 4.170 -0.001 0.000 0.251 128 I C 2.525 178.666 176.117 0.039 0.000 1.136 128 I CA 1.561 62.888 61.300 0.045 0.000 1.425 128 I CB -0.575 37.468 38.000 0.072 0.000 1.079 128 I HN 0.058 nan 8.210 nan 0.000 0.425 129 R N 1.181 121.692 120.500 0.019 0.000 2.152 129 R HA -0.024 4.316 4.340 -0.001 0.000 0.232 129 R C 1.316 177.623 176.300 0.012 0.000 1.117 129 R CA 1.380 57.486 56.100 0.010 0.000 0.981 129 R CB -0.371 29.918 30.300 -0.017 0.000 0.870 129 R HN 0.552 nan 8.270 nan 0.000 0.451 130 N N 0.518 119.224 118.700 0.009 0.000 2.236 130 N HA -0.041 4.699 4.740 -0.001 0.000 0.196 130 N C -0.642 174.870 175.510 0.003 0.000 1.114 130 N CA 0.143 53.196 53.050 0.005 0.000 0.859 130 N CB 0.482 38.970 38.487 0.003 0.000 0.982 130 N HN 0.170 nan 8.380 nan 0.000 0.493 131 D N 1.090 121.493 120.400 0.005 0.000 2.277 131 D HA 0.166 4.805 4.640 -0.001 0.000 0.249 131 D C -1.599 174.692 176.300 -0.013 0.000 1.134 131 D CA -1.910 52.089 54.000 -0.002 0.000 0.863 131 D CB 1.954 42.756 40.800 0.003 0.000 1.143 131 D HN -0.104 nan 8.370 nan 0.000 0.458 132 P HA -0.142 nan 4.420 nan 0.000 0.216 132 P C 0.816 178.084 177.300 -0.054 0.000 1.150 132 P CA 1.196 64.277 63.100 -0.032 0.000 0.837 132 P CB 0.131 31.814 31.700 -0.029 0.000 0.786 133 A N -0.688 122.093 122.820 -0.064 0.000 1.898 133 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 133 A C 2.321 179.818 177.584 -0.144 0.000 1.181 133 A CA 1.609 53.584 52.037 -0.104 0.000 0.620 133 A CB -1.637 17.300 19.000 -0.106 0.000 0.819 133 A HN 0.024 nan 8.150 nan 0.000 0.442 134 V N 0.295 120.154 119.914 -0.091 0.000 2.295 134 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 134 V C 2.414 178.457 176.094 -0.085 0.000 1.049 134 V CA 2.054 64.310 62.300 -0.073 0.000 1.024 134 V CB -0.736 31.122 31.823 0.060 0.000 0.648 134 V HN 0.573 nan 8.190 nan 0.000 0.447 135 I N 0.007 120.549 120.570 -0.046 0.000 2.208 135 I HA -0.294 3.876 4.170 -0.001 0.000 0.245 135 I C 2.615 178.688 176.117 -0.074 0.000 1.097 135 I CA 2.016 63.297 61.300 -0.032 0.000 1.363 135 I CB -0.385 37.604 38.000 -0.018 0.000 1.051 135 I HN 0.420 nan 8.210 nan 0.000 0.413 136 E N 0.524 120.659 120.200 -0.109 0.000 2.085 136 E HA -0.274 4.075 4.350 -0.001 0.000 0.194 136 E C 2.203 178.685 176.600 -0.196 0.000 0.994 136 E CA 1.211 57.533 56.400 -0.129 0.000 0.801 136 E CB 0.112 29.735 29.700 -0.129 0.000 0.743 136 E HN 0.425 nan 8.360 nan 0.000 0.453 137 Q N -0.071 119.523 119.800 -0.342 0.000 2.119 137 Q HA -0.127 4.212 4.340 -0.001 0.000 0.201 137 Q C 2.396 178.171 176.000 -0.374 0.000 0.972 137 Q CA 1.079 56.524 55.803 -0.597 0.000 0.847 137 Q CB -0.605 27.297 28.738 -1.393 0.000 0.903 137 Q HN 0.444 nan 8.270 nan 0.000 0.433 138 C N -0.206 119.004 119.300 -0.150 0.000 2.429 138 C HA -0.066 4.393 4.460 -0.001 0.000 0.277 138 C C 2.867 177.859 174.990 0.005 0.000 1.262 138 C CA 0.427 59.488 59.018 0.071 0.000 1.733 138 C CB -0.965 26.844 27.740 0.116 0.000 2.010 138 C HN 0.252 nan 8.230 nan 0.000 0.483 139 V N 1.090 120.981 119.914 -0.037 0.000 2.295 139 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 139 V C 2.345 178.412 176.094 -0.044 0.000 1.049 139 V CA 1.902 64.180 62.300 -0.037 0.000 1.024 139 V CB -0.691 31.108 31.823 -0.040 0.000 0.648 139 V HN 0.554 nan 8.190 nan 0.000 0.447 140 L N -0.028 121.155 121.223 -0.067 0.000 2.187 140 L HA -0.144 4.195 4.340 -0.001 0.000 0.213 140 L C 2.280 179.130 176.870 -0.033 0.000 1.100 140 L CA 1.436 56.240 54.840 -0.060 0.000 0.765 140 L CB -0.465 41.540 42.059 -0.090 0.000 0.904 140 L HN 0.299 nan 8.230 nan 0.000 0.437 141 S N -0.640 115.054 115.700 -0.010 0.000 2.603 141 S HA 0.157 4.626 4.470 -0.001 0.000 0.220 141 S C 1.369 175.956 174.600 -0.022 0.000 0.967 141 S CA 0.703 58.918 58.200 0.026 0.000 0.920 141 S CB 0.424 63.710 63.200 0.142 0.000 0.773 141 S HN 0.661 nan 8.310 nan 0.000 0.529 142 G N 1.272 110.049 108.800 -0.039 0.000 2.144 142 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.218 142 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.218 142 G C -0.093 174.751 174.900 -0.094 0.000 0.988 142 G CA -0.457 44.604 45.100 -0.065 0.000 0.659 142 G HN 0.480 nan 8.290 nan 0.000 0.522 143 I N 2.187 122.712 120.570 -0.074 0.000 2.355 143 I HA 0.347 4.516 4.170 -0.001 0.000 0.288 143 I C -2.059 174.051 176.117 -0.011 0.000 0.999 143 I CA -2.558 58.701 61.300 -0.067 0.000 1.163 143 I CB 1.955 39.925 38.000 -0.049 0.000 1.316 143 I HN -0.158 nan 8.210 nan 0.000 0.454 144 P HA 0.041 nan 4.420 nan 0.000 0.269 144 P C 0.590 177.904 177.300 0.022 0.000 1.215 144 P CA -0.140 62.966 63.100 0.011 0.000 0.780 144 P CB 0.889 32.602 31.700 0.021 0.000 0.898 145 A N 3.383 126.212 122.820 0.015 0.000 1.986 145 A HA -0.240 4.079 4.320 -0.001 0.000 0.220 145 A C 1.550 179.154 177.584 0.034 0.000 1.171 145 A CA 2.083 54.131 52.037 0.018 0.000 0.640 145 A CB -1.518 17.486 19.000 0.007 0.000 0.811 145 A HN 0.814 nan 8.150 nan 0.000 0.451 146 N N -1.193 117.533 118.700 0.043 0.000 2.370 146 N HA 0.030 4.769 4.740 -0.001 0.000 0.198 146 N C 0.271 175.847 175.510 0.110 0.000 1.156 146 N CA 0.359 53.449 53.050 0.066 0.000 0.839 146 N CB 0.071 38.592 38.487 0.057 0.000 0.989 146 N HN 0.576 nan 8.380 nan 0.000 0.468 147 E N 0.067 120.314 120.200 0.078 0.000 2.685 147 E HA 0.182 4.531 4.350 -0.001 0.000 0.208 147 E C 0.754 177.321 176.600 -0.056 0.000 0.996 147 E CA -0.331 56.084 56.400 0.025 0.000 1.054 147 E CB 0.367 30.088 29.700 0.035 0.000 1.075 147 E HN 0.323 nan 8.360 nan 0.000 0.460 148 M N 0.775 120.388 119.600 0.023 0.000 2.358 148 M HA -0.134 4.345 4.480 -0.001 0.000 0.264 148 M C 2.071 178.343 176.300 -0.048 0.000 1.064 148 M CA 1.392 56.697 55.300 0.009 0.000 1.093 148 M CB -1.056 31.563 32.600 0.031 0.000 1.401 148 M HN 0.397 nan 8.290 nan 0.000 0.440 149 H N -0.517 118.531 119.070 -0.036 0.000 2.518 149 H HA -0.047 4.508 4.556 -0.001 0.000 0.289 149 H C 1.044 176.290 175.328 -0.136 0.000 1.051 149 H CA 0.933 56.919 56.048 -0.104 0.000 1.280 149 H CB -0.375 29.350 29.762 -0.062 0.000 1.380 149 H HN 0.369 nan 8.280 nan 0.000 0.566 150 K N 0.977 121.077 120.400 -0.500 0.000 2.393 150 K HA 0.188 4.507 4.320 -0.001 0.000 0.193 150 K C 0.077 176.690 176.600 0.021 0.000 1.026 150 K CA -0.052 56.072 56.287 -0.273 0.000 1.064 150 K CB 1.026 33.329 32.500 -0.328 0.000 0.833 150 K HN 0.028 nan 8.250 nan 0.000 0.521 151 V N 1.942 121.840 119.914 -0.026 0.000 2.439 151 V HA 0.213 4.332 4.120 -0.001 0.000 0.282 151 V C -0.677 175.374 176.094 -0.072 0.000 1.039 151 V CA -0.495 61.867 62.300 0.103 0.000 0.913 151 V CB 0.365 32.247 31.823 0.099 0.000 0.983 151 V HN 0.034 nan 8.190 nan 0.000 0.460 152 Y N 2.756 123.094 120.300 0.064 0.000 2.602 152 Y HA 0.759 5.308 4.550 -0.002 0.000 0.342 152 Y C 0.197 176.159 175.900 0.104 0.000 1.029 152 Y CA -0.885 57.251 58.100 0.061 0.000 1.080 152 Y CB 2.109 40.580 38.460 0.018 0.000 1.284 152 Y HN 0.849 nan 8.280 nan 0.000 0.485 153 C N -1.094 118.368 119.300 0.270 0.000 2.985 153 C HA 0.624 5.083 4.460 -0.001 0.000 0.314 153 C C -1.541 173.612 174.990 0.272 0.000 1.215 153 C CA -1.011 58.156 59.018 0.248 0.000 1.414 153 C CB 1.476 29.301 27.740 0.141 0.000 1.842 153 C HN 0.746 nan 8.230 nan 0.000 0.477 154 D N 4.475 125.085 120.400 0.350 0.000 2.347 154 D HA 0.402 5.041 4.640 -0.001 0.000 0.235 154 D C -2.254 174.307 176.300 0.435 0.000 1.149 154 D CA -1.073 53.166 54.000 0.398 0.000 0.850 154 D CB 1.510 42.655 40.800 0.575 0.000 1.061 154 D HN 0.532 nan 8.370 nan 0.000 0.487 155 P HA 0.163 nan 4.420 nan 0.000 0.280 155 P C -0.708 176.835 177.300 0.405 0.000 1.300 155 P CA -0.501 62.776 63.100 0.295 0.000 0.785 155 P CB 0.312 32.123 31.700 0.184 0.000 0.874 156 W N 1.428 122.809 121.300 0.135 0.000 2.578 156 W HA 0.370 5.029 4.660 -0.001 0.000 0.353 156 W C 1.039 177.682 176.519 0.207 0.000 1.088 156 W CA -0.466 57.013 57.345 0.222 0.000 1.235 156 W CB 0.823 30.374 29.460 0.152 0.000 1.362 156 W HN 0.183 nan 8.180 nan 0.000 0.592 157 T N 2.359 117.183 114.554 0.451 0.000 2.939 157 T HA -0.109 4.240 4.350 -0.001 0.000 0.312 157 T C 1.183 176.013 174.700 0.216 0.000 1.064 157 T CA 0.181 62.402 62.100 0.203 0.000 1.136 157 T CB 0.223 69.087 68.868 -0.007 0.000 1.035 157 T HN 0.483 nan 8.240 nan 0.000 0.538 158 I N 3.411 124.054 120.570 0.121 0.000 2.756 158 I HA 0.067 4.236 4.170 -0.001 0.000 0.262 158 I C 1.754 177.905 176.117 0.057 0.000 1.225 158 I CA 1.509 62.856 61.300 0.078 0.000 1.472 158 I CB -0.769 37.258 38.000 0.044 0.000 1.094 158 I HN 1.117 nan 8.210 nan 0.000 0.454 159 G N 0.465 109.298 108.800 0.056 0.000 4.886 159 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.305 159 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.305 159 G C -0.026 174.976 174.900 0.170 0.000 1.483 159 G CA 0.505 45.596 45.100 -0.016 0.000 1.029 159 G HN 0.432 nan 8.290 nan 0.000 0.746 160 Y N 1.954 122.283 120.300 0.049 0.000 2.436 160 Y HA 0.593 5.142 4.550 -0.002 0.000 0.327 160 Y C -2.122 173.835 175.900 0.095 0.000 1.138 160 Y CA -0.677 57.480 58.100 0.095 0.000 1.042 160 Y CB 2.137 40.655 38.460 0.096 0.000 1.302 160 Y HN 0.454 nan 8.280 nan 0.000 0.439 161 D N 5.445 125.439 120.400 -0.676 0.000 2.620 161 D HA 0.124 4.763 4.640 -0.001 0.000 0.252 161 D C 0.485 176.335 176.300 -0.750 0.000 1.207 161 D CA -0.240 53.477 54.000 -0.472 0.000 0.884 161 D CB 1.482 42.292 40.800 0.017 0.000 1.262 161 D HN 0.844 nan 8.370 nan 0.000 0.552 162 E N 3.652 123.455 120.200 -0.662 0.000 2.463 162 E HA -0.157 4.192 4.350 -0.001 0.000 0.201 162 E C 0.786 177.172 176.600 -0.357 0.000 1.045 162 E CA 0.496 56.653 56.400 -0.406 0.000 0.872 162 E CB 0.024 29.662 29.700 -0.102 0.000 0.797 162 E HN 0.466 nan 8.360 nan 0.000 0.538 163 R N -0.613 119.572 120.500 -0.525 0.000 2.153 163 R HA 0.040 4.379 4.340 -0.001 0.000 0.218 163 R C 1.301 177.023 176.300 -0.964 0.000 1.072 163 R CA 1.244 56.807 56.100 -0.896 0.000 0.990 163 R CB 0.061 29.462 30.300 -1.499 0.000 0.889 163 R HN 0.326 nan 8.270 nan 0.000 0.452 164 W N -0.518 120.679 121.300 -0.171 0.000 2.592 164 W HA 0.320 4.979 4.660 -0.001 0.000 0.306 164 W C 1.007 177.487 176.519 -0.066 0.000 0.991 164 W CA 0.381 57.662 57.345 -0.106 0.000 1.430 164 W CB -0.001 29.404 29.460 -0.091 0.000 1.017 164 W HN 0.210 nan 8.180 nan 0.000 0.557 165 G N 2.236 111.077 108.800 0.069 0.000 2.634 165 G HA2 -0.439 3.520 3.960 -0.001 0.000 0.309 165 G HA3 -0.439 3.520 3.960 -0.001 0.000 0.309 165 G C 0.821 175.848 174.900 0.212 0.000 1.265 165 G CA 2.309 47.512 45.100 0.172 0.000 0.998 165 G HN 0.156 nan 8.290 nan 0.000 0.551 166 T N -1.692 112.984 114.554 0.204 0.000 3.145 166 T HA 0.491 4.840 4.350 -0.001 0.000 0.255 166 T C 2.046 176.815 174.700 0.115 0.000 1.039 166 T CA 1.042 63.239 62.100 0.161 0.000 0.928 166 T CB 0.632 69.594 68.868 0.157 0.000 1.029 166 T HN 1.528 nan 8.240 nan 0.000 0.554 167 G N 1.565 110.442 108.800 0.127 0.000 2.471 167 G HA2 0.078 4.038 3.960 -0.001 0.000 0.219 167 G HA3 0.078 4.038 3.960 -0.001 0.000 0.219 167 G C 0.434 175.380 174.900 0.077 0.000 1.125 167 G CA 0.076 45.238 45.100 0.103 0.000 0.775 167 G HN 0.502 nan 8.290 nan 0.000 0.548 168 K N -0.647 119.795 120.400 0.069 0.000 2.435 168 K HA 0.429 4.748 4.320 -0.001 0.000 0.251 168 K C -0.820 175.777 176.600 -0.005 0.000 0.954 168 K CA -0.932 55.357 56.287 0.003 0.000 0.820 168 K CB 2.383 34.840 32.500 -0.072 0.000 1.292 168 K HN -0.041 nan 8.250 nan 0.000 0.436 169 R N 3.090 123.578 120.500 -0.020 0.000 2.216 169 R HA 0.304 4.643 4.340 -0.001 0.000 0.332 169 R C -1.044 175.234 176.300 -0.036 0.000 1.056 169 R CA -0.127 55.966 56.100 -0.011 0.000 0.901 169 R CB 0.129 30.424 30.300 -0.009 0.000 1.039 169 R HN 0.488 nan 8.270 nan 0.000 0.456 170 L N 3.835 125.042 121.223 -0.027 0.000 2.381 170 L HA 0.460 4.799 4.340 -0.001 0.000 0.268 170 L C -0.396 176.474 176.870 -0.001 0.000 0.997 170 L CA -0.940 53.863 54.840 -0.062 0.000 0.818 170 L CB 2.393 44.370 42.059 -0.137 0.000 1.310 170 L HN 0.588 nan 8.230 nan 0.000 0.416 171 Q N 1.690 121.492 119.800 0.004 0.000 2.387 171 Q HA 0.442 4.781 4.340 -0.001 0.000 0.273 171 Q C -1.328 174.704 176.000 0.053 0.000 1.089 171 Q CA -0.862 54.984 55.803 0.071 0.000 0.824 171 Q CB 3.016 31.814 28.738 0.101 0.000 1.367 171 Q HN 0.535 nan 8.270 nan 0.000 0.443 172 Q N -0.041 119.819 119.800 0.100 0.000 2.316 172 Q HA 0.749 5.088 4.340 -0.001 0.000 0.264 172 Q C -1.357 174.682 176.000 0.066 0.000 0.987 172 Q CA -0.942 54.891 55.803 0.049 0.000 0.852 172 Q CB 1.710 30.446 28.738 -0.003 0.000 1.287 172 Q HN 0.551 nan 8.270 nan 0.000 0.448 173 A N 5.174 128.014 122.820 0.035 0.000 2.294 173 A HA 0.412 4.731 4.320 -0.001 0.000 0.316 173 A C -0.272 177.284 177.584 -0.046 0.000 1.359 173 A CA -0.773 51.291 52.037 0.046 0.000 0.956 173 A CB 0.136 19.172 19.000 0.059 0.000 1.155 173 A HN 0.834 nan 8.150 nan 0.000 0.544 174 L N 3.895 125.084 121.223 -0.057 0.000 2.325 174 L HA 0.247 4.586 4.340 -0.001 0.000 0.284 174 L C -0.371 176.409 176.870 -0.150 0.000 1.089 174 L CA -0.403 54.334 54.840 -0.172 0.000 0.836 174 L CB 0.671 42.603 42.059 -0.212 0.000 1.184 174 L HN 0.370 nan 8.230 nan 0.000 0.444 175 V N 4.340 124.018 119.914 -0.393 0.000 2.481 175 V HA 0.402 4.521 4.120 -0.001 0.000 0.286 175 V C -0.429 175.341 176.094 -0.539 0.000 1.042 175 V CA -0.335 61.765 62.300 -0.334 0.000 0.928 175 V CB 1.308 32.845 31.823 -0.477 0.000 0.986 175 V HN 0.436 nan 8.190 nan 0.000 0.462 176 Y N 2.631 122.926 120.300 -0.008 0.000 2.669 176 Y HA 0.615 5.164 4.550 -0.001 0.000 0.335 176 Y C -0.861 175.154 175.900 0.191 0.000 1.116 176 Y CA -0.954 57.171 58.100 0.042 0.000 1.081 176 Y CB 1.962 40.372 38.460 -0.084 0.000 1.297 176 Y HN 0.576 nan 8.280 nan 0.000 0.484 177 Y N 1.204 121.671 120.300 0.277 0.000 2.391 177 Y HA 0.661 5.210 4.550 -0.001 0.000 0.341 177 Y C -1.147 174.894 175.900 0.233 0.000 0.965 177 Y CA -1.331 56.912 58.100 0.238 0.000 1.067 177 Y CB 1.293 39.875 38.460 0.203 0.000 1.199 177 Y HN 0.526 nan 8.280 nan 0.000 0.450 178 R N 3.736 123.912 120.500 -0.541 0.000 2.437 178 R HA 0.350 4.689 4.340 -0.001 0.000 0.310 178 R C 0.434 176.072 176.300 -1.103 0.000 0.955 178 R CA -0.531 55.099 56.100 -0.783 0.000 0.851 178 R CB 1.899 31.826 30.300 -0.622 0.000 1.161 178 R HN 0.807 nan 8.270 nan 0.000 0.446 179 S N 0.952 116.032 115.700 -1.033 0.000 2.406 179 S HA -0.105 4.364 4.470 -0.001 0.000 0.228 179 S C 0.272 174.664 174.600 -0.348 0.000 1.020 179 S CA 1.048 58.929 58.200 -0.531 0.000 0.965 179 S CB -0.029 63.039 63.200 -0.219 0.000 0.798 179 S HN 0.658 nan 8.310 nan 0.000 0.488 180 D N -0.688 119.468 120.400 -0.406 0.000 2.756 180 D HA 0.198 4.837 4.640 -0.001 0.000 0.226 180 D C 0.642 176.785 176.300 -0.261 0.000 1.186 180 D CA -0.534 53.325 54.000 -0.236 0.000 0.845 180 D CB 1.156 41.848 40.800 -0.179 0.000 1.610 180 D HN 0.068 nan 8.370 nan 0.000 0.465 181 E N 1.360 121.476 120.200 -0.140 0.000 2.267 181 E HA -0.222 4.127 4.350 -0.001 0.000 0.197 181 E C 0.139 176.611 176.600 -0.212 0.000 0.998 181 E CA 1.067 57.393 56.400 -0.123 0.000 0.830 181 E CB 0.028 29.721 29.700 -0.012 0.000 0.751 181 E HN 0.376 nan 8.360 nan 0.000 0.491 182 D N 1.121 121.393 120.400 -0.213 0.000 2.349 182 D HA 0.030 4.669 4.640 -0.001 0.000 0.215 182 D C -0.262 175.877 176.300 -0.269 0.000 1.016 182 D CA 0.182 54.041 54.000 -0.236 0.000 0.870 182 D CB -0.114 40.564 40.800 -0.204 0.000 0.917 182 D HN 0.133 nan 8.370 nan 0.000 0.524 183 D N 0.336 120.519 120.400 -0.362 0.000 2.419 183 D HA -0.040 4.599 4.640 -0.001 0.000 0.236 183 D C 0.228 176.285 176.300 -0.404 0.000 1.165 183 D CA 0.402 54.113 54.000 -0.482 0.000 0.882 183 D CB 0.724 41.080 40.800 -0.741 0.000 1.201 183 D HN -0.196 nan 8.370 nan 0.000 0.443 184 S N 0.519 115.999 115.700 -0.368 0.000 2.448 184 S HA 0.014 4.483 4.470 -0.001 0.000 0.279 184 S C 1.279 175.854 174.600 -0.042 0.000 1.195 184 S CA -0.596 57.504 58.200 -0.167 0.000 1.051 184 S CB 0.422 63.562 63.200 -0.100 0.000 0.948 184 S HN 0.374 nan 8.310 nan 0.000 0.493 185 Q N 4.266 123.937 119.800 -0.214 0.000 2.369 185 Q HA -0.117 4.222 4.340 -0.001 0.000 0.206 185 Q C 0.371 176.307 176.000 -0.108 0.000 0.963 185 Q CA 1.380 57.046 55.803 -0.227 0.000 0.894 185 Q CB -0.404 28.023 28.738 -0.517 0.000 0.965 185 Q HN 0.894 nan 8.270 nan 0.000 0.475 186 Y N 1.950 122.259 120.300 0.015 0.000 2.571 186 Y HA -0.049 4.500 4.550 -0.002 0.000 0.294 186 Y C 2.546 178.684 175.900 0.395 0.000 1.141 186 Y CA 1.047 59.204 58.100 0.094 0.000 1.308 186 Y CB 0.152 38.653 38.460 0.069 0.000 1.002 186 Y HN 0.338 nan 8.280 nan 0.000 0.551 187 S N -1.543 114.455 115.700 0.496 0.000 2.522 187 S HA -0.091 4.378 4.470 -0.001 0.000 0.227 187 S C 0.238 174.924 174.600 0.143 0.000 0.986 187 S CA 0.645 59.082 58.200 0.395 0.000 0.929 187 S CB -0.427 62.913 63.200 0.233 0.000 0.769 187 S HN 0.465 nan 8.310 nan 0.000 0.529 188 H N 1.915 121.091 119.070 0.177 0.000 2.471 188 H HA 0.430 4.985 4.556 -0.001 0.000 0.234 188 H C -2.826 172.626 175.328 0.206 0.000 1.388 188 H CA -1.962 54.178 56.048 0.153 0.000 1.198 188 H CB 0.497 30.344 29.762 0.143 0.000 1.714 188 H HN 0.344 nan 8.280 nan 0.000 0.536 189 P HA 0.001 nan 4.420 nan 0.000 0.269 189 P C 0.072 177.213 177.300 -0.266 0.000 1.209 189 P CA 0.071 63.022 63.100 -0.249 0.000 0.776 189 P CB 1.692 33.217 31.700 -0.292 0.000 0.876 190 L N 1.899 122.892 121.223 -0.382 0.000 2.416 190 L HA 0.254 4.593 4.340 -0.001 0.000 0.263 190 L C 1.741 178.390 176.870 -0.368 0.000 1.065 190 L CA -0.484 54.158 54.840 -0.330 0.000 0.798 190 L CB 0.569 42.397 42.059 -0.385 0.000 1.267 190 L HN 0.363 nan 8.230 nan 0.000 0.467 191 D N -0.717 119.582 120.400 -0.167 0.000 2.348 191 D HA -0.017 4.622 4.640 -0.001 0.000 0.211 191 D C 0.059 176.500 176.300 0.235 0.000 0.998 191 D CA 0.241 54.247 54.000 0.010 0.000 0.873 191 D CB -0.032 40.812 40.800 0.073 0.000 0.925 191 D HN 0.245 nan 8.370 nan 0.000 0.524 192 F N -0.982 119.021 119.950 0.087 0.000 2.594 192 F HA 0.643 5.169 4.527 -0.002 0.000 0.335 192 F C -0.725 175.098 175.800 0.038 0.000 1.058 192 F CA -2.064 55.976 58.000 0.067 0.000 0.981 192 F CB 1.407 40.420 39.000 0.021 0.000 1.289 192 F HN -0.139 nan 8.300 nan 0.000 0.490 193 C N 3.525 122.951 119.300 0.211 0.000 2.654 193 C HA 0.581 5.040 4.460 -0.001 0.000 0.315 193 C C -2.844 172.245 174.990 0.165 0.000 1.054 193 C CA -2.028 57.031 59.018 0.068 0.000 1.419 193 C CB -0.033 27.695 27.740 -0.020 0.000 1.889 193 C HN 0.652 nan 8.230 nan 0.000 0.447 194 P HA 0.257 nan 4.420 nan 0.000 0.268 194 P C -0.592 176.759 177.300 0.086 0.000 1.205 194 P CA 0.084 63.273 63.100 0.149 0.000 0.771 194 P CB 0.380 32.171 31.700 0.152 0.000 0.858 195 I N 3.597 124.210 120.570 0.072 0.000 2.354 195 I HA 0.287 4.457 4.170 -0.001 0.000 0.292 195 I C -0.097 175.974 176.117 -0.076 0.000 0.989 195 I CA -0.644 60.642 61.300 -0.024 0.000 1.188 195 I CB 1.311 39.247 38.000 -0.105 0.000 1.342 195 I HN 0.040 nan 8.210 nan 0.000 0.457 196 V N 5.083 124.949 119.914 -0.080 0.000 2.540 196 V HA 0.276 4.395 4.120 -0.001 0.000 0.302 196 V C -0.078 175.958 176.094 -0.096 0.000 1.035 196 V CA -0.826 61.437 62.300 -0.062 0.000 0.873 196 V CB 2.302 34.121 31.823 -0.007 0.000 0.992 196 V HN 0.633 nan 8.190 nan 0.000 0.428 197 D N 3.167 123.505 120.400 -0.103 0.000 2.338 197 D HA 0.096 4.735 4.640 -0.001 0.000 0.255 197 D C 1.215 177.487 176.300 -0.046 0.000 1.237 197 D CA 0.196 54.139 54.000 -0.095 0.000 0.883 197 D CB 1.797 42.540 40.800 -0.096 0.000 1.087 197 D HN 0.611 nan 8.370 nan 0.000 0.485 198 T N 3.472 118.006 114.554 -0.032 0.000 2.720 198 T HA -0.137 4.212 4.350 -0.001 0.000 0.268 198 T C 1.358 176.051 174.700 -0.010 0.000 1.037 198 T CA 1.014 63.110 62.100 -0.008 0.000 1.144 198 T CB 0.240 69.111 68.868 0.004 0.000 0.864 198 T HN 0.445 nan 8.240 nan 0.000 0.444 199 E N 0.675 120.863 120.200 -0.019 0.000 2.140 199 E HA 0.041 4.391 4.350 -0.001 0.000 0.191 199 E C 2.212 178.801 176.600 -0.018 0.000 0.973 199 E CA 0.536 56.925 56.400 -0.019 0.000 0.829 199 E CB -0.075 29.610 29.700 -0.025 0.000 0.781 199 E HN 0.414 nan 8.360 nan 0.000 0.466 200 E N 0.905 121.092 120.200 -0.022 0.000 2.435 200 E HA -0.007 4.342 4.350 -0.001 0.000 0.195 200 E C -0.165 176.426 176.600 -0.014 0.000 1.029 200 E CA 0.074 56.463 56.400 -0.018 0.000 0.865 200 E CB 0.042 29.729 29.700 -0.022 0.000 0.833 200 E HN 0.186 nan 8.360 nan 0.000 0.510 201 K N 0.791 121.183 120.400 -0.014 0.000 3.419 201 K HA -0.198 4.121 4.320 -0.001 0.000 0.272 201 K C -0.065 176.530 176.600 -0.009 0.000 0.973 201 K CA 0.606 56.889 56.287 -0.007 0.000 0.749 201 K CB -0.995 31.504 32.500 -0.002 0.000 1.403 201 K HN -0.030 nan 8.250 nan 0.000 0.456 202 K N 0.660 121.050 120.400 -0.016 0.000 2.501 202 K HA 0.310 4.630 4.320 -0.001 0.000 0.252 202 K C -0.577 176.009 176.600 -0.023 0.000 0.934 202 K CA -0.780 55.497 56.287 -0.016 0.000 0.797 202 K CB 2.235 34.725 32.500 -0.017 0.000 1.270 202 K HN -0.027 nan 8.250 nan 0.000 0.431 203 V N 5.764 125.671 119.914 -0.012 0.000 2.479 203 V HA 0.048 4.167 4.120 -0.001 0.000 0.281 203 V C 1.314 177.401 176.094 -0.011 0.000 1.031 203 V CA 0.226 62.519 62.300 -0.011 0.000 1.038 203 V CB 0.454 32.280 31.823 0.004 0.000 0.981 203 V HN 0.739 nan 8.190 nan 0.000 0.478 204 I N 1.767 122.321 120.570 -0.028 0.000 3.854 204 I HA 0.516 4.685 4.170 -0.001 0.000 0.312 204 I C 0.208 176.433 176.117 0.181 0.000 1.273 204 I CA 0.575 61.879 61.300 0.006 0.000 1.298 204 I CB 0.401 38.323 38.000 -0.129 0.000 1.071 204 I HN 0.454 nan 8.210 nan 0.000 0.428 205 F N 0.900 120.830 119.950 -0.033 0.000 2.725 205 F HA 0.624 5.150 4.527 -0.002 0.000 0.309 205 F C -1.818 174.024 175.800 0.070 0.000 1.132 205 F CA -0.911 57.132 58.000 0.072 0.000 0.957 205 F CB 1.885 41.021 39.000 0.226 0.000 1.286 205 F HN -0.264 nan 8.300 nan 0.000 0.440 206 I N 3.596 123.943 120.570 -0.373 0.000 2.478 206 I HA 0.266 4.435 4.170 -0.001 0.000 0.287 206 I C -1.331 174.746 176.117 -0.066 0.000 1.042 206 I CA -0.829 60.415 61.300 -0.093 0.000 1.067 206 I CB 1.724 39.658 38.000 -0.109 0.000 1.233 206 I HN 0.357 nan 8.210 nan 0.000 0.431 207 D N 7.589 128.144 120.400 0.258 0.000 2.339 207 D HA 0.381 5.020 4.640 -0.001 0.000 0.256 207 D C -0.231 176.205 176.300 0.227 0.000 1.214 207 D CA 0.436 54.639 54.000 0.338 0.000 0.877 207 D CB 1.384 42.410 40.800 0.377 0.000 1.111 207 D HN 0.304 nan 8.370 nan 0.000 0.478 208 I N 4.746 125.414 120.570 0.164 0.000 2.406 208 I HA 0.223 4.392 4.170 -0.001 0.000 0.290 208 I C -1.899 174.300 176.117 0.137 0.000 0.999 208 I CA -1.914 59.466 61.300 0.133 0.000 1.124 208 I CB 1.983 39.998 38.000 0.024 0.000 1.289 208 I HN 0.093 nan 8.210 nan 0.000 0.441 209 P HA 0.193 nan 4.420 nan 0.000 0.274 209 P C -0.119 177.238 177.300 0.095 0.000 1.231 209 P CA -0.349 62.837 63.100 0.144 0.000 0.790 209 P CB 0.959 32.776 31.700 0.196 0.000 0.951 210 N N 0.789 119.534 118.700 0.075 0.000 2.166 210 N HA -0.112 4.627 4.740 -0.001 0.000 0.186 210 N C 0.961 176.502 175.510 0.052 0.000 1.019 210 N CA 1.006 54.085 53.050 0.048 0.000 0.856 210 N CB 0.032 38.539 38.487 0.033 0.000 0.993 210 N HN 0.449 nan 8.380 nan 0.000 0.426 211 R N 2.013 122.557 120.500 0.074 0.000 2.198 211 R HA 0.123 4.462 4.340 -0.001 0.000 0.339 211 R C -0.605 175.741 176.300 0.077 0.000 1.020 211 R CA -0.509 55.632 56.100 0.069 0.000 0.864 211 R CB 0.524 30.870 30.300 0.077 0.000 1.105 211 R HN -0.102 nan 8.270 nan 0.000 0.463 212 R N 3.340 123.872 120.500 0.054 0.000 2.490 212 R HA 0.227 4.566 4.340 -0.001 0.000 0.280 212 R C -0.343 175.978 176.300 0.036 0.000 1.077 212 R CA -0.415 55.717 56.100 0.053 0.000 1.065 212 R CB 0.550 30.870 30.300 0.033 0.000 1.003 212 R HN 0.523 nan 8.270 nan 0.000 0.470 213 R N 1.360 121.877 120.500 0.028 0.000 2.483 213 R HA 0.292 4.631 4.340 -0.001 0.000 0.303 213 R C -0.395 175.894 176.300 -0.018 0.000 0.987 213 R CA -0.457 55.636 56.100 -0.010 0.000 0.881 213 R CB 1.838 32.107 30.300 -0.051 0.000 1.177 213 R HN 0.368 nan 8.270 nan 0.000 0.451 214 K N 0.921 121.308 120.400 -0.020 0.000 2.138 214 K HA 0.223 4.542 4.320 -0.001 0.000 0.251 214 K C 0.068 176.640 176.600 -0.047 0.000 1.015 214 K CA -0.635 55.637 56.287 -0.025 0.000 0.917 214 K CB 1.173 33.656 32.500 -0.029 0.000 1.021 214 K HN 0.209 nan 8.250 nan 0.000 0.485 215 V N 1.957 121.837 119.914 -0.057 0.000 2.720 215 V HA -0.098 4.021 4.120 -0.001 0.000 0.307 215 V C 0.330 176.398 176.094 -0.044 0.000 1.071 215 V CA 0.515 62.775 62.300 -0.066 0.000 1.199 215 V CB 1.193 32.923 31.823 -0.155 0.000 0.900 215 V HN 0.853 nan 8.190 nan 0.000 0.494 216 S N 5.407 121.085 115.700 -0.038 0.000 2.552 216 S HA 0.101 4.570 4.470 -0.001 0.000 0.289 216 S C 0.917 175.558 174.600 0.068 0.000 1.304 216 S CA 0.064 58.238 58.200 -0.043 0.000 1.063 216 S CB 0.345 63.382 63.200 -0.272 0.000 0.848 216 S HN 0.843 nan 8.310 nan 0.000 0.499 217 K N 2.829 123.206 120.400 -0.038 0.000 2.374 217 K HA 0.089 4.408 4.320 -0.001 0.000 0.196 217 K C 0.253 176.834 176.600 -0.032 0.000 1.023 217 K CA -0.093 56.171 56.287 -0.039 0.000 1.103 217 K CB 0.006 32.433 32.500 -0.122 0.000 0.848 217 K HN 0.686 nan 8.250 nan 0.000 0.528 218 H N 2.041 121.199 119.070 0.146 0.000 2.679 218 H HA 0.108 4.663 4.556 -0.002 0.000 0.369 218 H C 0.375 175.904 175.328 0.335 0.000 1.178 218 H CA 0.315 56.463 56.048 0.167 0.000 1.419 218 H CB 0.669 30.462 29.762 0.050 0.000 1.458 218 H HN -0.114 nan 8.280 nan 0.000 0.605 219 K N 1.363 122.009 120.400 0.410 0.000 2.469 219 K HA -0.021 4.298 4.320 -0.001 0.000 0.274 219 K C -0.087 176.799 176.600 0.476 0.000 0.983 219 K CA 0.097 56.609 56.287 0.376 0.000 0.974 219 K CB 0.196 32.869 32.500 0.288 0.000 0.913 219 K HN 0.480 nan 8.250 nan 0.000 0.493 220 H N 0.004 119.208 119.070 0.224 0.000 2.871 220 H HA 0.071 4.627 4.556 -0.001 0.000 0.355 220 H C -0.096 175.225 175.328 -0.011 0.000 1.092 220 H CA 0.377 56.501 56.048 0.128 0.000 1.420 220 H CB 0.649 30.332 29.762 -0.132 0.000 1.400 220 H HN 0.640 nan 8.280 nan 0.000 0.604 221 A N 4.167 126.908 122.820 -0.132 0.000 2.506 221 A HA 0.224 4.543 4.320 -0.001 0.000 0.320 221 A C -0.110 177.301 177.584 -0.287 0.000 1.424 221 A CA -0.684 51.135 52.037 -0.364 0.000 1.044 221 A CB -0.466 18.043 19.000 -0.818 0.000 1.140 221 A HN 0.654 nan 8.150 nan 0.000 0.538 222 N N 0.815 119.361 118.700 -0.256 0.000 2.459 222 N HA 0.679 5.418 4.740 -0.001 0.000 0.288 222 N C -0.130 175.274 175.510 -0.177 0.000 1.186 222 N CA -0.458 52.315 53.050 -0.461 0.000 0.917 222 N CB 1.244 39.142 38.487 -0.981 0.000 1.219 222 N HN 0.574 nan 8.380 nan 0.000 0.525 223 F N -2.413 117.520 119.950 -0.028 0.000 2.974 223 F HA 0.441 4.967 4.527 -0.002 0.000 0.357 223 F C -0.390 175.449 175.800 0.064 0.000 1.114 223 F CA -0.746 57.252 58.000 -0.002 0.000 1.099 223 F CB -0.566 38.351 39.000 -0.139 0.000 1.205 223 F HN 0.184 nan 8.300 nan 0.000 0.535 224 Y N 2.809 123.254 120.300 0.242 0.000 2.357 224 Y HA 0.327 4.876 4.550 -0.002 0.000 0.340 224 Y C -1.055 174.884 175.900 0.066 0.000 1.260 224 Y CA -1.511 56.687 58.100 0.162 0.000 1.425 224 Y CB 0.142 38.602 38.460 -0.000 0.000 1.326 224 Y HN -0.224 nan 8.280 nan 0.000 0.580 225 P HA -0.270 nan 4.420 nan 0.000 0.216 225 P C 1.066 178.378 177.300 0.020 0.000 1.154 225 P CA 2.682 65.827 63.100 0.075 0.000 0.865 225 P CB 0.124 31.859 31.700 0.059 0.000 0.789 226 K N -0.923 119.435 120.400 -0.070 0.000 2.057 226 K HA -0.211 4.108 4.320 -0.001 0.000 0.207 226 K C 1.774 178.302 176.600 -0.120 0.000 1.049 226 K CA 1.750 57.950 56.287 -0.146 0.000 0.931 226 K CB -1.300 31.052 32.500 -0.248 0.000 0.714 226 K HN 0.258 nan 8.250 nan 0.000 0.440 227 H N 0.066 119.155 119.070 0.033 0.000 2.357 227 H HA 0.038 4.593 4.556 -0.001 0.000 0.301 227 H C 2.105 177.455 175.328 0.037 0.000 1.082 227 H CA 1.498 57.559 56.048 0.021 0.000 1.342 227 H CB 0.011 29.773 29.762 -0.001 0.000 1.389 227 H HN 0.088 nan 8.280 nan 0.000 0.511 228 M N 0.200 119.897 119.600 0.163 0.000 2.175 228 M HA -0.089 4.390 4.480 -0.001 0.000 0.264 228 M C 2.309 178.656 176.300 0.078 0.000 1.063 228 M CA 1.198 56.566 55.300 0.113 0.000 1.119 228 M CB -0.671 31.987 32.600 0.097 0.000 1.377 228 M HN 0.307 nan 8.290 nan 0.000 0.415 229 I N 0.151 120.756 120.570 0.058 0.000 2.208 229 I HA -0.313 3.857 4.170 -0.001 0.000 0.245 229 I C 2.235 178.380 176.117 0.047 0.000 1.097 229 I CA 1.399 62.724 61.300 0.041 0.000 1.363 229 I CB -0.417 37.596 38.000 0.021 0.000 1.051 229 I HN 0.390 nan 8.210 nan 0.000 0.413 230 E N 0.537 120.772 120.200 0.058 0.000 2.072 230 E HA -0.259 4.090 4.350 -0.001 0.000 0.191 230 E C 2.150 178.794 176.600 0.073 0.000 0.985 230 E CA 1.129 57.567 56.400 0.064 0.000 0.801 230 E CB -0.034 29.713 29.700 0.077 0.000 0.750 230 E HN 0.395 nan 8.360 nan 0.000 0.452 231 K N 0.808 121.260 120.400 0.087 0.000 2.044 231 K HA -0.075 4.244 4.320 -0.001 0.000 0.204 231 K C 1.915 178.560 176.600 0.075 0.000 1.049 231 K CA 1.329 57.670 56.287 0.090 0.000 0.945 231 K CB 0.399 32.962 32.500 0.105 0.000 0.724 231 K HN 0.133 nan 8.250 nan 0.000 0.440 232 V N -3.919 116.035 119.914 0.067 0.000 3.528 232 V HA 0.481 4.600 4.120 -0.001 0.000 0.294 232 V C 0.878 176.999 176.094 0.045 0.000 1.404 232 V CA 0.460 62.793 62.300 0.055 0.000 1.065 232 V CB 0.391 32.246 31.823 0.053 0.000 0.904 232 V HN 0.481 nan 8.190 nan 0.000 0.435 233 G N -0.021 108.805 108.800 0.043 0.000 2.349 233 G HA2 0.220 4.180 3.960 -0.001 0.000 0.213 233 G HA3 0.220 4.180 3.960 -0.001 0.000 0.213 233 G C 0.323 175.241 174.900 0.029 0.000 1.044 233 G CA -0.038 45.083 45.100 0.035 0.000 0.633 233 G HN 2.082 nan 8.290 nan 0.000 0.506 234 A N -0.086 122.752 122.820 0.030 0.000 2.590 234 A HA 0.703 5.022 4.320 -0.001 0.000 0.294 234 A C -0.369 177.231 177.584 0.027 0.000 1.046 234 A CA -0.141 51.911 52.037 0.025 0.000 0.684 234 A CB 0.664 19.676 19.000 0.020 0.000 1.279 234 A HN 0.601 nan 8.150 nan 0.000 0.415 235 M N 1.301 120.916 119.600 0.024 0.000 2.228 235 M HA 0.321 4.800 4.480 -0.001 0.000 0.326 235 M C 0.758 177.069 176.300 0.018 0.000 1.122 235 M CA 0.088 55.402 55.300 0.023 0.000 1.161 235 M CB 0.206 32.819 32.600 0.022 0.000 1.437 235 M HN 0.772 nan 8.290 nan 0.000 0.465 236 R N 1.133 121.642 120.500 0.016 0.000 2.590 236 R HA 0.241 4.581 4.340 -0.001 0.000 0.274 236 R C -2.029 174.277 176.300 0.010 0.000 1.061 236 R CA -1.245 54.862 56.100 0.012 0.000 1.081 236 R CB -0.613 29.693 30.300 0.010 0.000 0.984 236 R HN 0.387 nan 8.270 nan 0.000 0.448 237 P HA -0.051 nan 4.420 nan 0.000 0.268 237 P C -0.606 176.698 177.300 0.007 0.000 1.208 237 P CA -0.190 62.915 63.100 0.008 0.000 0.777 237 P CB 0.468 32.173 31.700 0.007 0.000 0.875 238 E N 1.441 121.645 120.200 0.006 0.000 2.465 238 E HA 0.257 4.606 4.350 -0.001 0.000 0.260 238 E C -0.311 176.291 176.600 0.004 0.000 0.980 238 E CA -0.012 56.391 56.400 0.005 0.000 0.927 238 E CB -0.027 29.676 29.700 0.006 0.000 0.934 238 E HN 0.477 nan 8.360 nan 0.000 0.459 239 A N 6.128 128.950 122.820 0.003 0.000 2.425 239 A HA 0.338 4.657 4.320 -0.001 0.000 0.242 239 A C -1.927 175.659 177.584 0.003 0.000 1.077 239 A CA -1.057 50.981 52.037 0.002 0.000 0.781 239 A CB -0.375 18.626 19.000 0.001 0.000 1.020 239 A HN 0.681 nan 8.150 nan 0.000 0.494 240 P HA 0.214 nan 4.420 nan 0.000 0.268 240 P C -2.452 174.850 177.300 0.003 0.000 1.204 240 P CA -0.605 62.497 63.100 0.003 0.000 0.768 240 P CB -0.260 31.442 31.700 0.003 0.000 0.842 241 P HA 0.346 nan 4.420 nan 0.000 0.277 241 P C -0.443 176.860 177.300 0.005 0.000 1.240 241 P CA -0.235 62.868 63.100 0.005 0.000 0.798 241 P CB 1.014 32.718 31.700 0.006 0.000 0.979 242 I N 2.456 123.029 120.570 0.005 0.000 2.330 242 I HA 0.237 4.406 4.170 -0.001 0.000 0.289 242 I C 0.146 176.269 176.117 0.010 0.000 1.001 242 I CA -0.585 60.719 61.300 0.007 0.000 1.193 242 I CB 0.760 38.764 38.000 0.006 0.000 1.345 242 I HN 0.155 nan 8.210 nan 0.000 0.461 243 N N 5.985 124.692 118.700 0.012 0.000 2.400 243 N HA 0.430 5.169 4.740 -0.001 0.000 0.288 243 N C -0.809 174.713 175.510 0.019 0.000 1.024 243 N CA -0.395 52.664 53.050 0.014 0.000 0.894 243 N CB 2.614 41.108 38.487 0.013 0.000 1.173 243 N HN 0.179 nan 8.380 nan 0.000 0.487 244 V N 1.621 121.549 119.914 0.023 0.000 2.384 244 V HA 0.568 4.688 4.120 -0.001 0.000 0.287 244 V C 0.220 176.333 176.094 0.032 0.000 1.020 244 V CA -0.583 61.736 62.300 0.032 0.000 0.850 244 V CB 1.275 33.123 31.823 0.040 0.000 0.987 244 V HN 0.836 nan 8.190 nan 0.000 0.436 245 T N 1.848 116.422 114.554 0.033 0.000 2.906 245 T HA 0.639 4.988 4.350 -0.001 0.000 0.295 245 T C -0.812 173.909 174.700 0.035 0.000 1.061 245 T CA -0.835 61.284 62.100 0.031 0.000 1.000 245 T CB 2.244 71.126 68.868 0.023 0.000 1.103 245 T HN 0.521 nan 8.240 nan 0.000 0.486 246 Q N 1.762 121.581 119.800 0.033 0.000 2.907 246 Q HA 0.258 4.598 4.340 -0.001 0.000 0.262 246 Q C -1.882 174.128 176.000 0.015 0.000 0.997 246 Q CA -1.954 53.867 55.803 0.030 0.000 0.797 246 Q CB 1.658 30.419 28.738 0.038 0.000 1.228 246 Q HN 0.586 nan 8.270 nan 0.000 0.466 247 P HA -0.136 nan 4.420 nan 0.000 0.225 247 P C 0.089 177.391 177.300 0.002 0.000 1.148 247 P CA 1.040 64.144 63.100 0.008 0.000 0.779 247 P CB 0.476 32.182 31.700 0.010 0.000 0.780 248 E N -0.319 119.882 120.200 0.001 0.000 2.499 248 E HA 0.371 4.720 4.350 -0.001 0.000 0.199 248 E C 0.840 177.429 176.600 -0.018 0.000 1.016 248 E CA -0.069 56.328 56.400 -0.006 0.000 0.933 248 E CB 0.243 29.942 29.700 -0.002 0.000 1.050 248 E HN 0.184 nan 8.360 nan 0.000 0.462 249 G N 0.926 109.713 108.800 -0.022 0.000 2.725 249 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.220 249 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.220 249 G C -0.044 174.814 174.900 -0.069 0.000 1.357 249 G CA -0.480 44.589 45.100 -0.052 0.000 0.866 249 G HN 0.425 nan 8.290 nan 0.000 0.548 250 V N -2.435 117.380 119.914 -0.164 0.000 2.973 250 V HA 0.845 4.964 4.120 -0.001 0.000 0.314 250 V C 1.536 177.523 176.094 -0.179 0.000 1.066 250 V CA 0.900 63.066 62.300 -0.222 0.000 1.021 250 V CB 1.449 32.884 31.823 -0.647 0.000 1.076 250 V HN 2.316 nan 8.190 nan 0.000 0.462 251 S N 1.657 117.354 115.700 -0.004 0.000 2.501 251 S HA 0.165 4.634 4.470 -0.001 0.000 0.220 251 S C 0.566 175.276 174.600 0.183 0.000 0.997 251 S CA 0.029 58.286 58.200 0.094 0.000 0.919 251 S CB -0.704 62.601 63.200 0.176 0.000 0.778 251 S HN 1.028 nan 8.310 nan 0.000 0.523 252 F N 1.328 121.433 119.950 0.258 0.000 2.382 252 F HA 0.725 5.251 4.527 -0.001 0.000 0.331 252 F C -0.056 175.785 175.800 0.068 0.000 1.121 252 F CA -1.221 56.911 58.000 0.221 0.000 1.183 252 F CB 0.685 39.777 39.000 0.154 0.000 1.207 252 F HN -0.114 nan 8.300 nan 0.000 0.555 253 K N 4.241 124.782 120.400 0.235 0.000 2.426 253 K HA 0.455 4.774 4.320 -0.001 0.000 0.254 253 K C -1.469 175.178 176.600 0.079 0.000 0.936 253 K CA -0.781 55.562 56.287 0.093 0.000 0.801 253 K CB 1.343 33.864 32.500 0.036 0.000 1.139 253 K HN 0.852 nan 8.250 nan 0.000 0.424 254 M N 3.087 122.718 119.600 0.050 0.000 2.205 254 M HA 0.247 4.726 4.480 -0.001 0.000 0.344 254 M C -0.690 175.607 176.300 -0.007 0.000 1.085 254 M CA -0.649 54.623 55.300 -0.045 0.000 1.001 254 M CB 1.857 34.358 32.600 -0.166 0.000 1.626 254 M HN 0.445 nan 8.290 nan 0.000 0.442 255 T N 2.627 117.168 114.554 -0.022 0.000 2.947 255 T HA 0.528 4.877 4.350 -0.001 0.000 0.337 255 T C 0.845 175.560 174.700 0.025 0.000 1.139 255 T CA 0.256 62.369 62.100 0.021 0.000 0.992 255 T CB 0.996 69.886 68.868 0.037 0.000 1.043 255 T HN 1.058 nan 8.240 nan 0.000 0.498 256 G N 4.379 113.203 108.800 0.040 0.000 2.596 256 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.304 256 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.304 256 G C 0.812 175.689 174.900 -0.038 0.000 1.189 256 G CA 0.175 45.299 45.100 0.040 0.000 0.986 256 G HN 0.592 nan 8.290 nan 0.000 0.548 257 N N 0.576 119.215 118.700 -0.102 0.000 2.280 257 N HA 0.194 4.933 4.740 -0.001 0.000 0.192 257 N C 0.415 175.681 175.510 -0.406 0.000 1.109 257 N CA 0.583 53.452 53.050 -0.302 0.000 0.855 257 N CB 0.903 39.095 38.487 -0.491 0.000 0.974 257 N HN 0.359 nan 8.380 nan 0.000 0.482 258 V N 2.429 122.206 119.914 -0.228 0.000 2.432 258 V HA 0.192 4.312 4.120 -0.001 0.000 0.271 258 V C 0.302 176.220 176.094 -0.293 0.000 1.046 258 V CA -0.485 61.690 62.300 -0.208 0.000 0.945 258 V CB 1.155 32.972 31.823 -0.009 0.000 0.992 258 V HN 0.103 nan 8.190 nan 0.000 0.471 259 M N 5.433 124.712 119.600 -0.534 0.000 2.264 259 M HA 0.505 4.985 4.480 -0.001 0.000 0.352 259 M C -0.515 175.509 176.300 -0.460 0.000 1.173 259 M CA 0.197 55.115 55.300 -0.636 0.000 1.075 259 M CB 1.152 32.993 32.600 -1.266 0.000 1.621 259 M HN 0.657 nan 8.290 nan 0.000 0.457 260 E N 3.782 123.872 120.200 -0.182 0.000 2.241 260 E HA 0.488 4.837 4.350 -0.001 0.000 0.263 260 E C -2.202 174.500 176.600 0.169 0.000 0.882 260 E CA -0.300 56.086 56.400 -0.023 0.000 0.769 260 E CB 1.732 31.426 29.700 -0.009 0.000 1.185 260 E HN 0.767 nan 8.360 nan 0.000 0.415 261 W N 2.687 123.986 121.300 -0.002 0.000 3.827 261 W HA 0.186 4.846 4.660 -0.001 0.000 0.307 261 W C -0.331 176.274 176.519 0.144 0.000 1.204 261 W CA -0.420 56.980 57.345 0.091 0.000 1.250 261 W CB 1.405 30.930 29.460 0.109 0.000 1.281 261 W HN 0.461 nan 8.180 nan 0.000 0.494 262 S N 4.594 119.925 115.700 -0.615 0.000 3.559 262 S HA -0.373 4.096 4.470 -0.001 0.000 0.369 262 S C 0.831 175.150 174.600 -0.467 0.000 0.987 262 S CA 2.376 60.141 58.200 -0.725 0.000 1.187 262 S CB -1.747 60.596 63.200 -1.428 0.000 0.914 262 S HN 1.103 nan 8.310 nan 0.000 0.480 263 N N -2.538 115.908 118.700 -0.423 0.000 2.967 263 N HA -0.192 4.547 4.740 -0.001 0.000 0.218 263 N C -0.201 174.973 175.510 -0.559 0.000 0.870 263 N CA 1.372 54.026 53.050 -0.660 0.000 1.030 263 N CB -1.232 36.484 38.487 -1.286 0.000 1.027 263 N HN 0.509 nan 8.380 nan 0.000 0.603 264 F N 1.683 121.567 119.950 -0.109 0.000 2.418 264 F HA 0.391 4.918 4.527 -0.001 0.000 0.341 264 F C 0.760 176.610 175.800 0.083 0.000 1.120 264 F CA 0.415 58.502 58.000 0.145 0.000 1.232 264 F CB 0.916 40.151 39.000 0.393 0.000 1.175 264 F HN -0.114 nan 8.300 nan 0.000 0.569 265 K N 4.001 124.621 120.400 0.367 0.000 2.468 265 K HA 0.624 4.943 4.320 -0.001 0.000 0.252 265 K C -1.745 175.026 176.600 0.285 0.000 0.932 265 K CA -0.508 55.872 56.287 0.155 0.000 0.794 265 K CB 1.586 34.145 32.500 0.098 0.000 1.241 265 K HN 0.515 nan 8.250 nan 0.000 0.428 266 F N -0.509 119.445 119.950 0.006 0.000 2.773 266 F HA 0.383 4.910 4.527 -0.001 0.000 0.314 266 F C -1.511 174.275 175.800 -0.024 0.000 1.160 266 F CA -1.177 56.825 58.000 0.002 0.000 0.920 266 F CB 0.948 39.911 39.000 -0.062 0.000 1.323 266 F HN 0.427 nan 8.300 nan 0.000 0.457 267 H N 2.317 121.441 119.070 0.090 0.000 2.476 267 H HA 0.545 5.100 4.556 -0.002 0.000 0.328 267 H C -1.164 174.158 175.328 -0.009 0.000 1.073 267 H CA -0.589 55.399 56.048 -0.100 0.000 1.229 267 H CB 1.459 31.085 29.762 -0.227 0.000 1.432 267 H HN 0.726 nan 8.280 nan 0.000 0.477 268 I N 5.583 125.865 120.570 -0.480 0.000 2.281 268 I HA 0.208 4.377 4.170 -0.001 0.000 0.293 268 I C 1.057 176.972 176.117 -0.337 0.000 1.085 268 I CA -0.247 60.902 61.300 -0.252 0.000 1.257 268 I CB 0.940 38.836 38.000 -0.173 0.000 1.430 268 I HN 0.536 nan 8.210 nan 0.000 0.489 269 G N 5.225 114.001 108.800 -0.041 0.000 2.521 269 G HA2 0.691 4.650 3.960 -0.001 0.000 0.323 269 G HA3 0.691 4.650 3.960 -0.001 0.000 0.323 269 G C -1.495 173.520 174.900 0.192 0.000 1.211 269 G CA -0.335 44.842 45.100 0.129 0.000 0.979 269 G HN 0.394 nan 8.290 nan 0.000 0.490 270 F N 0.668 120.645 119.950 0.045 0.000 2.635 270 F HA 0.465 4.992 4.527 -0.001 0.000 0.314 270 F C -0.914 174.962 175.800 0.126 0.000 1.119 270 F CA -0.902 57.137 58.000 0.064 0.000 1.000 270 F CB 2.183 41.218 39.000 0.058 0.000 1.278 270 F HN 0.790 nan 8.300 nan 0.000 0.446 271 N N 2.066 120.621 118.700 -0.242 0.000 2.647 271 N HA 0.228 4.967 4.740 -0.001 0.000 0.266 271 N C 0.146 175.552 175.510 -0.174 0.000 1.373 271 N CA -0.553 52.514 53.050 0.028 0.000 0.807 271 N CB 0.325 38.875 38.487 0.105 0.000 1.513 271 N HN 0.529 nan 8.380 nan 0.000 0.505 272 Y N -1.212 118.949 120.300 -0.233 0.000 2.298 272 Y HA 0.028 4.577 4.550 -0.001 0.000 0.287 272 Y C 2.015 177.437 175.900 -0.796 0.000 1.164 272 Y CA 1.444 59.025 58.100 -0.865 0.000 1.229 272 Y CB -0.301 37.367 38.460 -1.319 0.000 0.977 272 Y HN 0.670 nan 8.280 nan 0.000 0.538 273 R N 0.135 119.856 120.500 -1.300 0.000 2.125 273 R HA 0.128 4.467 4.340 -0.001 0.000 0.195 273 R C 1.872 177.731 176.300 -0.736 0.000 1.138 273 R CA 0.792 56.130 56.100 -1.269 0.000 1.123 273 R CB 0.062 29.292 30.300 -1.784 0.000 1.049 273 R HN 0.339 nan 8.270 nan 0.000 0.503 274 E N -0.028 119.844 120.200 -0.546 0.000 2.371 274 E HA 0.138 4.488 4.350 -0.001 0.000 0.194 274 E C 0.814 177.196 176.600 -0.363 0.000 1.012 274 E CA 0.432 56.637 56.400 -0.325 0.000 0.860 274 E CB 0.470 30.076 29.700 -0.157 0.000 0.811 274 E HN 0.564 nan 8.360 nan 0.000 0.502 275 G N 1.871 110.290 108.800 -0.635 0.000 2.536 275 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.280 275 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.280 275 G C 0.118 174.521 174.900 -0.829 0.000 1.152 275 G CA -0.113 44.399 45.100 -0.980 0.000 0.970 275 G HN 0.198 nan 8.290 nan 0.000 0.549 276 I N 1.195 121.650 120.570 -0.191 0.000 2.618 276 I HA 0.348 4.517 4.170 -0.001 0.000 0.284 276 I C 0.307 176.310 176.117 -0.190 0.000 1.146 276 I CA 0.041 61.350 61.300 0.015 0.000 1.425 276 I CB 0.898 38.991 38.000 0.155 0.000 1.383 276 I HN 0.334 nan 8.210 nan 0.000 0.562 277 V N 7.855 127.656 119.914 -0.188 0.000 2.443 277 V HA 0.376 4.495 4.120 -0.001 0.000 0.293 277 V C -0.108 175.838 176.094 -0.247 0.000 1.021 277 V CA -0.589 61.560 62.300 -0.251 0.000 0.848 277 V CB 1.634 33.369 31.823 -0.147 0.000 0.998 277 V HN 0.445 nan 8.190 nan 0.000 0.424 278 L N 3.934 124.919 121.223 -0.396 0.000 2.282 278 L HA 0.687 5.026 4.340 -0.001 0.000 0.288 278 L C 0.180 176.948 176.870 -0.169 0.000 1.033 278 L CA 0.092 54.775 54.840 -0.263 0.000 0.807 278 L CB 1.666 43.463 42.059 -0.437 0.000 1.209 278 L HN 0.615 nan 8.230 nan 0.000 0.423 279 S N 0.738 116.420 115.700 -0.029 0.000 2.599 279 S HA 0.313 4.782 4.470 -0.001 0.000 0.287 279 S C -0.489 174.126 174.600 0.026 0.000 1.105 279 S CA -0.507 57.621 58.200 -0.120 0.000 0.899 279 S CB 1.794 64.847 63.200 -0.245 0.000 1.100 279 S HN 0.768 nan 8.310 nan 0.000 0.482 280 D N 1.003 121.382 120.400 -0.034 0.000 2.705 280 D HA -0.145 4.494 4.640 -0.001 0.000 0.240 280 D C -0.719 175.725 176.300 0.241 0.000 1.137 280 D CA 0.386 54.488 54.000 0.170 0.000 0.677 280 D CB -1.240 39.736 40.800 0.293 0.000 1.049 280 D HN 0.223 nan 8.370 nan 0.000 0.427 281 V N 1.171 121.214 119.914 0.215 0.000 2.432 281 V HA 0.592 4.712 4.120 -0.001 0.000 0.271 281 V C 0.890 177.117 176.094 0.222 0.000 1.046 281 V CA 0.290 62.748 62.300 0.264 0.000 0.945 281 V CB 1.428 33.371 31.823 0.200 0.000 0.992 281 V HN 0.486 nan 8.190 nan 0.000 0.471 282 S N 4.511 120.392 115.700 0.303 0.000 2.627 282 S HA 0.774 5.243 4.470 -0.001 0.000 0.283 282 S C -1.369 173.428 174.600 0.328 0.000 1.127 282 S CA -0.791 57.561 58.200 0.254 0.000 0.863 282 S CB 2.082 65.398 63.200 0.195 0.000 1.121 282 S HN 0.588 nan 8.310 nan 0.000 0.479 283 Y N 1.724 122.102 120.300 0.129 0.000 2.361 283 Y HA 0.531 5.080 4.550 -0.001 0.000 0.337 283 Y C -0.569 175.371 175.900 0.068 0.000 0.965 283 Y CA -0.791 57.324 58.100 0.026 0.000 1.091 283 Y CB 1.591 40.047 38.460 -0.007 0.000 1.182 283 Y HN 0.859 nan 8.280 nan 0.000 0.450 284 N N 4.759 123.247 118.700 -0.354 0.000 2.415 284 N HA 0.033 4.772 4.740 -0.001 0.000 0.250 284 N C -1.241 174.185 175.510 -0.140 0.000 1.127 284 N CA 0.093 53.028 53.050 -0.192 0.000 0.945 284 N CB 0.279 38.624 38.487 -0.237 0.000 1.196 284 N HN 0.665 nan 8.380 nan 0.000 0.499 285 D N 3.108 123.612 120.400 0.173 0.000 2.522 285 D HA 0.080 4.719 4.640 -0.001 0.000 0.218 285 D C -0.283 176.104 176.300 0.145 0.000 1.149 285 D CA -0.022 54.151 54.000 0.290 0.000 0.981 285 D CB -0.527 40.530 40.800 0.428 0.000 1.041 285 D HN 0.470 nan 8.370 nan 0.000 0.518 286 H N 2.065 121.188 119.070 0.089 0.000 2.626 286 H HA -0.205 4.350 4.556 -0.001 0.000 0.317 286 H C 1.338 176.678 175.328 0.021 0.000 1.140 286 H CA 1.208 57.278 56.048 0.036 0.000 1.134 286 H CB -1.253 28.532 29.762 0.039 0.000 1.486 286 H HN 0.729 nan 8.280 nan 0.000 0.417 287 G N -0.158 108.674 108.800 0.053 0.000 2.234 287 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.235 287 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.235 287 G C 0.245 175.165 174.900 0.034 0.000 0.997 287 G CA 0.205 45.326 45.100 0.035 0.000 0.623 287 G HN 0.631 nan 8.290 nan 0.000 0.514 288 N N 1.088 119.822 118.700 0.058 0.000 2.469 288 N HA 0.457 5.196 4.740 -0.001 0.000 0.239 288 N C 0.126 175.676 175.510 0.068 0.000 1.053 288 N CA -0.147 52.934 53.050 0.051 0.000 0.937 288 N CB 1.073 39.590 38.487 0.050 0.000 1.163 288 N HN 0.225 nan 8.380 nan 0.000 0.509 289 V N 5.235 125.178 119.914 0.049 0.000 2.405 289 V HA 0.246 4.366 4.120 -0.001 0.000 0.264 289 V C 0.632 176.781 176.094 0.093 0.000 1.048 289 V CA -0.230 62.110 62.300 0.067 0.000 0.966 289 V CB -0.248 31.600 31.823 0.041 0.000 1.015 289 V HN 0.485 nan 8.190 nan 0.000 0.477 290 R N 5.955 126.551 120.500 0.159 0.000 2.265 290 R HA 0.418 4.757 4.340 -0.001 0.000 0.328 290 R C -2.708 173.722 176.300 0.216 0.000 0.969 290 R CA -1.862 54.344 56.100 0.177 0.000 0.832 290 R CB 1.509 31.939 30.300 0.216 0.000 1.139 290 R HN 0.411 nan 8.270 nan 0.000 0.457 291 P HA 0.042 nan 4.420 nan 0.000 0.269 291 P C -0.051 177.300 177.300 0.085 0.000 1.209 291 P CA 0.256 63.431 63.100 0.126 0.000 0.776 291 P CB 0.811 32.573 31.700 0.103 0.000 0.876 292 I N -0.112 120.411 120.570 -0.078 0.000 3.623 292 I HA 0.201 4.370 4.170 -0.001 0.000 0.253 292 I C -0.004 175.825 176.117 -0.480 0.000 1.144 292 I CA 0.470 61.481 61.300 -0.481 0.000 1.461 292 I CB 0.177 37.611 38.000 -0.943 0.000 1.575 292 I HN 0.105 nan 8.210 nan 0.000 0.445 293 F N -0.299 119.610 119.950 -0.069 0.000 2.551 293 F HA 0.334 4.861 4.527 -0.001 0.000 0.316 293 F C 0.815 176.620 175.800 0.008 0.000 1.089 293 F CA -1.204 56.757 58.000 -0.065 0.000 0.915 293 F CB 0.949 39.867 39.000 -0.137 0.000 1.186 293 F HN -0.058 nan 8.300 nan 0.000 0.456 294 H N 1.379 120.525 119.070 0.127 0.000 2.403 294 H HA 0.260 4.815 4.556 -0.002 0.000 0.298 294 H C 0.247 175.561 175.328 -0.024 0.000 1.059 294 H CA 1.443 57.508 56.048 0.029 0.000 1.363 294 H CB 0.454 30.189 29.762 -0.045 0.000 1.410 294 H HN 0.546 nan 8.280 nan 0.000 0.528 295 R N -0.055 120.374 120.500 -0.119 0.000 2.579 295 R HA 0.395 4.734 4.340 -0.001 0.000 0.260 295 R C -2.131 174.014 176.300 -0.258 0.000 1.103 295 R CA -0.613 55.341 56.100 -0.243 0.000 0.942 295 R CB 1.288 31.433 30.300 -0.257 0.000 1.251 295 R HN 0.256 nan 8.270 nan 0.000 0.450 296 I N 2.610 122.984 120.570 -0.327 0.000 2.656 296 I HA 0.603 4.772 4.170 -0.001 0.000 0.292 296 I C -1.545 174.301 176.117 -0.451 0.000 1.144 296 I CA -0.110 60.948 61.300 -0.404 0.000 1.038 296 I CB 2.127 39.830 38.000 -0.496 0.000 1.244 296 I HN 0.905 nan 8.210 nan 0.000 0.420 297 S N 6.223 121.778 115.700 -0.242 0.000 2.615 297 S HA 0.532 5.001 4.470 -0.001 0.000 0.268 297 S C -1.571 173.138 174.600 0.183 0.000 1.146 297 S CA -1.057 57.081 58.200 -0.103 0.000 0.818 297 S CB 1.118 64.232 63.200 -0.143 0.000 1.111 297 S HN 0.589 nan 8.310 nan 0.000 0.465 298 L N 2.616 124.013 121.223 0.290 0.000 2.290 298 L HA 0.497 4.836 4.340 -0.001 0.000 0.284 298 L C 1.268 178.188 176.870 0.084 0.000 1.078 298 L CA -0.110 54.857 54.840 0.211 0.000 0.815 298 L CB 1.640 43.850 42.059 0.252 0.000 1.162 298 L HN 1.044 nan 8.230 nan 0.000 0.435 299 S N 0.510 116.241 115.700 0.053 0.000 2.520 299 S HA 0.236 4.706 4.470 -0.001 0.000 0.219 299 S C 0.248 174.845 174.600 -0.006 0.000 1.028 299 S CA -0.247 58.012 58.200 0.098 0.000 0.921 299 S CB 0.584 63.901 63.200 0.195 0.000 0.844 299 S HN 0.653 nan 8.310 nan 0.000 0.495 300 E N -0.539 119.543 120.200 -0.197 0.000 2.417 300 E HA 0.652 5.001 4.350 -0.001 0.000 0.280 300 E C -1.822 174.594 176.600 -0.307 0.000 1.112 300 E CA -0.409 55.816 56.400 -0.292 0.000 0.863 300 E CB 1.192 30.619 29.700 -0.455 0.000 1.346 300 E HN 0.318 nan 8.360 nan 0.000 0.443 301 M N 1.469 121.004 119.600 -0.108 0.000 2.618 301 M HA 0.650 5.129 4.480 -0.001 0.000 0.281 301 M C -1.194 175.259 176.300 0.254 0.000 1.267 301 M CA -0.942 54.335 55.300 -0.038 0.000 0.845 301 M CB 2.489 34.935 32.600 -0.256 0.000 1.732 301 M HN 0.593 nan 8.290 nan 0.000 0.461 302 I N 0.671 121.349 120.570 0.180 0.000 2.692 302 I HA 0.510 4.679 4.170 -0.001 0.000 0.293 302 I C -1.575 174.520 176.117 -0.036 0.000 1.200 302 I CA -0.670 60.676 61.300 0.076 0.000 1.036 302 I CB 2.101 40.112 38.000 0.019 0.000 1.258 302 I HN 0.418 nan 8.210 nan 0.000 0.421 303 V N 8.145 128.069 119.914 0.018 0.000 2.271 303 V HA 0.344 4.463 4.120 -0.001 0.000 0.259 303 V C -2.347 173.789 176.094 0.070 0.000 1.030 303 V CA -1.229 61.052 62.300 -0.031 0.000 0.957 303 V CB 0.519 32.342 31.823 0.000 0.000 1.186 303 V HN 0.526 nan 8.190 nan 0.000 0.471 304 P HA 0.255 nan 4.420 nan 0.000 0.282 304 P C -0.842 176.466 177.300 0.014 0.000 1.262 304 P CA -0.126 63.028 63.100 0.089 0.000 0.773 304 P CB 0.777 32.458 31.700 -0.032 0.000 0.879 305 Y N 1.324 121.675 120.300 0.086 0.000 2.300 305 Y HA 0.412 4.961 4.550 -0.002 0.000 0.328 305 Y C 1.983 177.872 175.900 -0.018 0.000 1.270 305 Y CA 0.660 58.803 58.100 0.072 0.000 1.352 305 Y CB 0.687 39.196 38.460 0.082 0.000 1.286 305 Y HN 0.492 nan 8.280 nan 0.000 0.536 306 G N 0.188 109.037 108.800 0.082 0.000 3.651 306 G HA2 0.056 4.015 3.960 -0.001 0.000 0.279 306 G HA3 0.056 4.015 3.960 -0.001 0.000 0.279 306 G C -0.227 174.586 174.900 -0.144 0.000 1.024 306 G CA -0.177 44.914 45.100 -0.016 0.000 0.813 306 G HN 0.462 nan 8.290 nan 0.000 0.518 307 S N 1.439 116.997 115.700 -0.236 0.000 2.475 307 S HA 0.458 4.927 4.470 -0.001 0.000 0.281 307 S C -0.944 173.369 174.600 -0.479 0.000 1.198 307 S CA -1.367 56.533 58.200 -0.500 0.000 1.063 307 S CB 1.799 64.544 63.200 -0.759 0.000 0.972 307 S HN 0.080 nan 8.310 nan 0.000 0.486 308 P HA 0.100 nan 4.420 nan 0.000 0.245 308 P C -0.270 176.897 177.300 -0.223 0.000 1.206 308 P CA 0.196 63.034 63.100 -0.437 0.000 0.781 308 P CB 0.115 31.486 31.700 -0.548 0.000 0.994 309 E N 0.044 120.148 120.200 -0.160 0.000 2.354 309 E HA 0.157 4.506 4.350 -0.001 0.000 0.269 309 E C -0.445 176.082 176.600 -0.123 0.000 1.036 309 E CA -0.785 55.597 56.400 -0.031 0.000 0.876 309 E CB 0.474 30.227 29.700 0.089 0.000 1.009 309 E HN 0.037 nan 8.360 nan 0.000 0.416 310 F N 4.645 124.461 119.950 -0.223 0.000 2.529 310 F HA 0.096 4.622 4.527 -0.002 0.000 0.365 310 F C -1.394 174.093 175.800 -0.522 0.000 1.102 310 F CA -1.603 56.227 58.000 -0.283 0.000 1.271 310 F CB 0.862 39.767 39.000 -0.158 0.000 1.120 310 F HN 0.317 nan 8.300 nan 0.000 0.579 311 P HA 0.085 nan 4.420 nan 0.000 0.254 311 P C 0.194 177.007 177.300 -0.811 0.000 1.620 311 P CA 0.247 62.526 63.100 -1.369 0.000 1.050 311 P CB -0.125 30.940 31.700 -1.059 0.000 1.539 312 H N 0.725 119.531 119.070 -0.440 0.000 2.546 312 H HA -0.066 4.488 4.556 -0.002 0.000 0.277 312 H C 2.084 177.274 175.328 -0.229 0.000 1.004 312 H CA 0.867 56.706 56.048 -0.348 0.000 1.231 312 H CB -0.234 29.317 29.762 -0.352 0.000 1.382 312 H HN 0.395 nan 8.280 nan 0.000 0.580 313 Q N 1.912 121.625 119.800 -0.146 0.000 2.297 313 Q HA -0.157 4.182 4.340 -0.001 0.000 0.208 313 Q C 1.316 177.381 176.000 0.108 0.000 0.981 313 Q CA 1.058 56.837 55.803 -0.040 0.000 0.876 313 Q CB -0.319 28.378 28.738 -0.069 0.000 0.921 313 Q HN 0.406 nan 8.270 nan 0.000 0.446 314 R N 0.758 121.240 120.500 -0.030 0.000 2.320 314 R HA 0.172 4.511 4.340 -0.001 0.000 0.211 314 R C 0.134 176.407 176.300 -0.046 0.000 0.931 314 R CA 0.079 56.172 56.100 -0.012 0.000 1.071 314 R CB 0.293 30.516 30.300 -0.129 0.000 1.025 314 R HN 0.141 nan 8.270 nan 0.000 0.495 315 K N 2.097 122.521 120.400 0.040 0.000 2.244 315 K HA 0.089 4.408 4.320 -0.001 0.000 0.263 315 K C -0.356 176.496 176.600 0.420 0.000 1.103 315 K CA -0.084 56.275 56.287 0.119 0.000 0.966 315 K CB 0.449 32.788 32.500 -0.268 0.000 1.429 315 K HN 0.310 nan 8.250 nan 0.000 0.434 316 H N 0.142 119.424 119.070 0.352 0.000 3.080 316 H HA 0.194 4.749 4.556 -0.001 0.000 0.211 316 H C -0.729 174.717 175.328 0.196 0.000 1.359 316 H CA -0.706 55.489 56.048 0.245 0.000 1.322 316 H CB -0.515 29.311 29.762 0.107 0.000 2.164 316 H HN 0.357 nan 8.280 nan 0.000 0.526 317 A N 2.030 124.968 122.820 0.197 0.000 2.546 317 A HA 0.270 4.589 4.320 -0.001 0.000 0.243 317 A C 0.199 177.814 177.584 0.052 0.000 1.063 317 A CA -0.179 51.891 52.037 0.055 0.000 0.757 317 A CB 0.043 19.031 19.000 -0.021 0.000 0.991 317 A HN 0.478 nan 8.150 nan 0.000 0.503 318 L N 3.682 124.906 121.223 0.001 0.000 2.352 318 L HA 0.210 4.549 4.340 -0.001 0.000 0.272 318 L C 0.721 177.542 176.870 -0.080 0.000 1.109 318 L CA 0.005 54.855 54.840 0.018 0.000 0.952 318 L CB 0.613 42.719 42.059 0.079 0.000 1.314 318 L HN 0.720 nan 8.230 nan 0.000 0.427 319 D N 1.537 121.913 120.400 -0.039 0.000 2.123 319 D HA -0.183 4.456 4.640 -0.001 0.000 0.196 319 D C 2.046 178.274 176.300 -0.120 0.000 0.992 319 D CA 1.595 55.614 54.000 0.032 0.000 0.833 319 D CB 0.338 41.210 40.800 0.121 0.000 0.954 319 D HN 0.493 nan 8.370 nan 0.000 0.455 320 I N 0.900 121.347 120.570 -0.205 0.000 2.163 320 I HA -0.160 4.009 4.170 -0.001 0.000 0.240 320 I C 2.562 178.467 176.117 -0.354 0.000 1.081 320 I CA 1.423 62.529 61.300 -0.323 0.000 1.353 320 I CB -0.357 37.472 38.000 -0.284 0.000 1.054 320 I HN 0.006 nan 8.210 nan 0.000 0.407 321 G N -0.304 108.328 108.800 -0.280 0.000 2.484 321 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.218 321 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.218 321 G C 1.468 176.226 174.900 -0.237 0.000 1.130 321 G CA 0.378 45.310 45.100 -0.279 0.000 0.784 321 G HN 0.419 nan 8.290 nan 0.000 0.543 322 E N -1.571 118.445 120.200 -0.307 0.000 2.413 322 E HA 0.146 4.495 4.350 -0.001 0.000 0.203 322 E C 0.998 177.239 176.600 -0.599 0.000 0.957 322 E CA 0.204 56.322 56.400 -0.470 0.000 0.950 322 E CB 0.383 29.692 29.700 -0.653 0.000 0.957 322 E HN 0.568 nan 8.360 nan 0.000 0.497 323 Y N -0.345 119.914 120.300 -0.068 0.000 2.723 323 Y HA 0.356 4.905 4.550 -0.002 0.000 0.272 323 Y C 0.812 176.691 175.900 -0.035 0.000 1.142 323 Y CA 0.254 58.337 58.100 -0.028 0.000 1.217 323 Y CB 1.041 39.469 38.460 -0.053 0.000 1.391 323 Y HN -0.037 nan 8.280 nan 0.000 0.479 324 G N 0.667 109.407 108.800 -0.099 0.000 3.338 324 G HA2 0.159 4.118 3.960 -0.001 0.000 0.686 324 G HA3 0.159 4.118 3.960 -0.001 0.000 0.686 324 G C 0.550 175.160 174.900 -0.484 0.000 1.053 324 G CA -0.333 44.549 45.100 -0.363 0.000 0.852 324 G HN 0.629 nan 8.290 nan 0.000 0.545 325 A N 1.179 123.565 122.820 -0.724 0.000 2.121 325 A HA 0.371 4.690 4.320 -0.001 0.000 0.218 325 A C 2.505 179.856 177.584 -0.389 0.000 1.154 325 A CA 2.396 53.863 52.037 -0.950 0.000 0.679 325 A CB -0.305 18.194 19.000 -0.835 0.000 0.795 325 A HN 2.138 nan 8.150 nan 0.000 0.458 326 G N -1.490 107.085 108.800 -0.376 0.000 2.439 326 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.212 326 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.212 326 G C 1.364 176.338 174.900 0.123 0.000 1.199 326 G CA 0.754 45.836 45.100 -0.029 0.000 0.807 326 G HN 0.380 nan 8.290 nan 0.000 0.537 327 Y N 0.586 120.668 120.300 -0.364 0.000 2.181 327 Y HA -0.057 4.492 4.550 -0.002 0.000 0.284 327 Y C 2.744 178.659 175.900 0.025 0.000 1.179 327 Y CA 0.706 58.627 58.100 -0.300 0.000 1.179 327 Y CB -0.189 38.129 38.460 -0.236 0.000 0.973 327 Y HN 0.103 nan 8.280 nan 0.000 0.519 328 M N -0.972 118.743 119.600 0.192 0.000 2.495 328 M HA 0.070 4.549 4.480 -0.001 0.000 0.237 328 M C 0.717 177.214 176.300 0.327 0.000 1.131 328 M CA 0.150 55.585 55.300 0.225 0.000 1.032 328 M CB -1.237 31.483 32.600 0.200 0.000 1.513 328 M HN -0.097 nan 8.290 nan 0.000 0.488 329 T N 2.191 116.966 114.554 0.367 0.000 2.919 329 T HA 0.163 4.512 4.350 -0.001 0.000 0.302 329 T C 0.312 175.187 174.700 0.291 0.000 1.031 329 T CA -0.064 62.281 62.100 0.407 0.000 1.127 329 T CB 0.377 69.559 68.868 0.523 0.000 0.952 329 T HN 0.379 nan 8.240 nan 0.000 0.540 330 N N 4.949 123.787 118.700 0.231 0.000 2.514 330 N HA 0.270 5.009 4.740 -0.001 0.000 0.277 330 N C -2.647 172.925 175.510 0.103 0.000 1.126 330 N CA -1.542 51.596 53.050 0.148 0.000 0.978 330 N CB 0.908 39.461 38.487 0.111 0.000 1.106 330 N HN 0.401 nan 8.380 nan 0.000 0.461 331 P HA 0.091 nan 4.420 nan 0.000 0.271 331 P C -0.797 176.503 177.300 -0.002 0.000 1.226 331 P CA 0.236 63.340 63.100 0.008 0.000 0.765 331 P CB 0.547 32.242 31.700 -0.008 0.000 0.835 332 L N 1.788 122.999 121.223 -0.020 0.000 2.334 332 L HA 0.777 5.116 4.340 -0.001 0.000 0.270 332 L C 0.620 177.416 176.870 -0.124 0.000 1.018 332 L CA -0.500 54.342 54.840 0.003 0.000 0.811 332 L CB 1.618 43.750 42.059 0.121 0.000 1.271 332 L HN 0.308 nan 8.230 nan 0.000 0.443 333 S N 2.043 117.700 115.700 -0.073 0.000 2.862 333 S HA 0.377 4.846 4.470 -0.001 0.000 0.148 333 S C -1.437 173.162 174.600 -0.003 0.000 0.829 333 S CA -0.510 57.668 58.200 -0.037 0.000 0.991 333 S CB -0.095 63.105 63.200 0.000 0.000 1.607 333 S HN 0.444 nan 8.310 nan 0.000 0.474 334 L N 2.814 124.027 121.223 -0.016 0.000 2.305 334 L HA 0.758 5.098 4.340 -0.001 0.000 0.284 334 L C 1.220 178.118 176.870 0.047 0.000 1.013 334 L CA 0.859 55.687 54.840 -0.020 0.000 0.819 334 L CB 1.461 43.466 42.059 -0.090 0.000 1.227 334 L HN 0.850 nan 8.230 nan 0.000 0.417 335 G N 1.606 110.467 108.800 0.103 0.000 2.159 335 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.256 335 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.256 335 G C 0.615 175.537 174.900 0.037 0.000 0.977 335 G CA 0.404 45.540 45.100 0.061 0.000 0.652 335 G HN 0.698 nan 8.290 nan 0.000 0.531 336 C N -0.799 118.526 119.300 0.042 0.000 2.463 336 C HA 0.254 4.713 4.460 -0.001 0.000 0.322 336 C C 2.259 177.270 174.990 0.034 0.000 1.556 336 C CA 1.045 60.081 59.018 0.029 0.000 2.225 336 C CB -0.558 27.196 27.740 0.023 0.000 1.995 336 C HN 0.498 nan 8.230 nan 0.000 0.678 337 D N 0.545 120.976 120.400 0.051 0.000 2.117 337 D HA -0.089 4.550 4.640 -0.001 0.000 0.197 337 D C 0.263 176.603 176.300 0.067 0.000 0.987 337 D CA 1.264 55.302 54.000 0.065 0.000 0.829 337 D CB -0.026 40.823 40.800 0.081 0.000 0.961 337 D HN 0.446 nan 8.370 nan 0.000 0.460 338 c N 1.667 120.290 118.600 0.038 0.000 2.301 338 c HA 0.407 4.976 4.570 -0.001 0.000 0.323 338 c C 0.241 174.242 174.090 -0.148 0.000 1.265 338 c CA -1.411 54.858 56.329 -0.100 0.000 1.503 338 c CB 1.111 43.502 42.510 -0.199 0.000 2.195 338 c HN 0.077 nan 8.230 nan 0.000 0.477 339 K N 2.565 122.876 120.400 -0.148 0.000 2.172 339 K HA 0.648 4.967 4.320 -0.001 0.000 0.276 339 K C 0.645 177.187 176.600 -0.098 0.000 1.013 339 K CA 0.836 57.078 56.287 -0.075 0.000 0.913 339 K CB 0.671 33.163 32.500 -0.015 0.000 1.055 339 K HN 1.143 nan 8.250 nan 0.000 0.461 340 G N 1.034 109.810 108.800 -0.039 0.000 2.384 340 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.204 340 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.204 340 G C -1.359 173.544 174.900 0.005 0.000 1.237 340 G CA -0.545 44.558 45.100 0.005 0.000 1.060 340 G HN 0.494 nan 8.290 nan 0.000 0.514 341 V N 1.873 121.817 119.914 0.051 0.000 2.368 341 V HA 0.517 4.636 4.120 -0.001 0.000 0.266 341 V C 0.304 176.449 176.094 0.084 0.000 1.045 341 V CA -0.411 61.925 62.300 0.060 0.000 0.899 341 V CB 0.823 32.685 31.823 0.066 0.000 1.006 341 V HN 0.579 nan 8.190 nan 0.000 0.470 342 I N 4.069 124.640 120.570 0.001 0.000 2.474 342 I HA 0.414 4.583 4.170 -0.001 0.000 0.294 342 I C -0.231 175.826 176.117 -0.100 0.000 1.005 342 I CA -0.630 60.586 61.300 -0.141 0.000 1.113 342 I CB 1.579 39.253 38.000 -0.543 0.000 1.289 342 I HN 0.665 nan 8.210 nan 0.000 0.436 343 H N 5.431 124.440 119.070 -0.101 0.000 2.519 343 H HA 0.489 5.044 4.556 -0.001 0.000 0.316 343 H C -1.473 173.728 175.328 -0.212 0.000 1.065 343 H CA -0.206 55.822 56.048 -0.034 0.000 1.264 343 H CB 0.867 30.737 29.762 0.179 0.000 1.413 343 H HN 0.384 nan 8.280 nan 0.000 0.465 344 Y N 4.151 124.498 120.300 0.079 0.000 2.457 344 Y HA 0.365 4.914 4.550 -0.002 0.000 0.333 344 Y C -0.397 175.546 175.900 0.073 0.000 1.119 344 Y CA -0.832 57.304 58.100 0.060 0.000 1.143 344 Y CB 1.360 39.805 38.460 -0.025 0.000 1.230 344 Y HN 0.433 nan 8.280 nan 0.000 0.469 345 L N 2.536 123.865 121.223 0.177 0.000 2.342 345 L HA 0.489 4.828 4.340 -0.001 0.000 0.271 345 L C -0.944 175.860 176.870 -0.110 0.000 1.008 345 L CA -1.105 53.753 54.840 0.029 0.000 0.818 345 L CB 1.663 43.700 42.059 -0.037 0.000 1.296 345 L HN 0.537 nan 8.230 nan 0.000 0.427 346 D N 1.216 121.510 120.400 -0.177 0.000 2.294 346 D HA 0.586 5.226 4.640 -0.001 0.000 0.250 346 D C -0.295 175.639 176.300 -0.610 0.000 1.058 346 D CA -0.137 53.652 54.000 -0.352 0.000 0.950 346 D CB 2.055 42.671 40.800 -0.306 0.000 1.158 346 D HN 0.570 nan 8.370 nan 0.000 0.453 347 A N 1.607 123.978 122.820 -0.748 0.000 2.337 347 A HA 0.565 4.885 4.320 -0.001 0.000 0.329 347 A C -0.854 176.068 177.584 -1.103 0.000 1.146 347 A CA -0.656 50.874 52.037 -0.844 0.000 0.800 347 A CB 0.842 19.415 19.000 -0.711 0.000 1.220 347 A HN 0.560 nan 8.150 nan 0.000 0.472 348 H N 1.407 120.150 119.070 -0.545 0.000 2.589 348 H HA 0.644 5.200 4.556 -0.001 0.000 0.351 348 H C -1.366 173.730 175.328 -0.387 0.000 1.074 348 H CA -0.183 55.600 56.048 -0.440 0.000 1.203 348 H CB 1.287 30.959 29.762 -0.149 0.000 1.558 348 H HN 0.550 nan 8.280 nan 0.000 0.522 349 F N -0.222 119.893 119.950 0.276 0.000 2.814 349 F HA 0.452 4.978 4.527 -0.001 0.000 0.353 349 F C 0.701 176.607 175.800 0.177 0.000 1.177 349 F CA -1.136 57.023 58.000 0.266 0.000 1.036 349 F CB 0.858 40.115 39.000 0.427 0.000 1.455 349 F HN 0.316 nan 8.300 nan 0.000 0.520 350 S N -0.123 115.806 115.700 0.381 0.000 2.509 350 S HA 0.530 4.999 4.470 -0.001 0.000 0.297 350 S C -1.070 173.635 174.600 0.175 0.000 1.118 350 S CA -0.762 57.545 58.200 0.178 0.000 1.074 350 S CB 0.565 63.800 63.200 0.058 0.000 1.038 350 S HN 0.610 nan 8.310 nan 0.000 0.498 351 D N 2.640 123.101 120.400 0.101 0.000 2.478 351 D HA 0.295 4.934 4.640 -0.001 0.000 0.269 351 D C 1.161 177.520 176.300 0.098 0.000 1.232 351 D CA -0.505 53.541 54.000 0.076 0.000 1.059 351 D CB 0.294 41.130 40.800 0.059 0.000 1.104 351 D HN 0.524 nan 8.370 nan 0.000 0.566 352 R N -0.751 119.803 120.500 0.090 0.000 2.127 352 R HA -0.075 4.264 4.340 -0.001 0.000 0.238 352 R C 1.794 178.220 176.300 0.210 0.000 1.134 352 R CA 1.439 57.621 56.100 0.136 0.000 0.975 352 R CB -0.477 29.866 30.300 0.070 0.000 0.865 352 R HN 0.599 nan 8.270 nan 0.000 0.447 353 A N -0.322 122.578 122.820 0.134 0.000 2.206 353 A HA 0.163 4.482 4.320 -0.001 0.000 0.211 353 A C 1.380 179.010 177.584 0.077 0.000 1.158 353 A CA 0.914 53.027 52.037 0.125 0.000 0.761 353 A CB 0.019 19.056 19.000 0.062 0.000 0.801 353 A HN 0.464 nan 8.150 nan 0.000 0.473 354 G N -0.544 108.228 108.800 -0.046 0.000 2.141 354 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.242 354 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.242 354 G C -0.506 174.236 174.900 -0.264 0.000 0.982 354 G CA 0.134 44.944 45.100 -0.484 0.000 0.662 354 G HN 0.471 nan 8.290 nan 0.000 0.527 355 D N 1.349 121.687 120.400 -0.103 0.000 2.210 355 D HA 0.487 5.126 4.640 -0.001 0.000 0.249 355 D C -2.260 174.029 176.300 -0.018 0.000 1.078 355 D CA -1.332 52.634 54.000 -0.056 0.000 0.875 355 D CB 1.457 42.247 40.800 -0.017 0.000 1.175 355 D HN 0.085 nan 8.370 nan 0.000 0.440 356 P HA 0.190 nan 4.420 nan 0.000 0.271 356 P C -0.348 176.988 177.300 0.061 0.000 1.216 356 P CA -0.188 62.929 63.100 0.029 0.000 0.776 356 P CB 0.487 32.181 31.700 -0.010 0.000 0.881 357 I N -1.496 119.143 120.570 0.115 0.000 2.646 357 I HA 0.669 4.838 4.170 -0.001 0.000 0.299 357 I C -0.784 175.388 176.117 0.092 0.000 1.036 357 I CA -0.690 60.681 61.300 0.119 0.000 1.074 357 I CB 2.515 40.614 38.000 0.165 0.000 1.258 357 I HN 0.040 nan 8.210 nan 0.000 0.430 358 T N 4.078 118.670 114.554 0.063 0.000 2.807 358 T HA 0.500 4.849 4.350 -0.001 0.000 0.279 358 T C -0.410 174.251 174.700 -0.064 0.000 0.993 358 T CA -0.481 61.613 62.100 -0.010 0.000 0.970 358 T CB 2.000 70.916 68.868 0.079 0.000 0.950 358 T HN 0.419 nan 8.240 nan 0.000 0.441 359 V N 4.838 124.639 119.914 -0.189 0.000 2.328 359 V HA 0.310 4.429 4.120 -0.001 0.000 0.278 359 V C 0.426 176.418 176.094 -0.172 0.000 1.021 359 V CA -0.901 61.340 62.300 -0.099 0.000 0.838 359 V CB 0.898 32.728 31.823 0.011 0.000 0.999 359 V HN 0.692 nan 8.190 nan 0.000 0.447 360 K N 3.627 123.959 120.400 -0.112 0.000 2.326 360 K HA 0.229 4.549 4.320 -0.001 0.000 0.275 360 K C 0.552 177.061 176.600 -0.151 0.000 1.018 360 K CA -0.034 56.174 56.287 -0.132 0.000 0.962 360 K CB 0.262 32.700 32.500 -0.105 0.000 0.953 360 K HN 0.814 nan 8.250 nan 0.000 0.475 361 N N 0.698 119.296 118.700 -0.171 0.000 2.714 361 N HA -0.257 4.482 4.740 -0.001 0.000 0.253 361 N C 0.355 175.838 175.510 -0.045 0.000 1.024 361 N CA 0.378 53.330 53.050 -0.163 0.000 0.726 361 N CB -0.763 37.422 38.487 -0.503 0.000 0.908 361 N HN 0.736 nan 8.380 nan 0.000 0.542 362 A N -0.725 122.027 122.820 -0.113 0.000 1.970 362 A HA 0.214 4.533 4.320 -0.001 0.000 0.216 362 A C 0.836 178.373 177.584 -0.079 0.000 1.170 362 A CA 1.016 52.963 52.037 -0.149 0.000 0.645 362 A CB 0.688 19.430 19.000 -0.429 0.000 0.816 362 A HN 0.177 nan 8.150 nan 0.000 0.447 363 V N 0.022 119.904 119.914 -0.055 0.000 2.540 363 V HA 0.399 4.518 4.120 -0.001 0.000 0.302 363 V C -0.249 175.917 176.094 0.120 0.000 1.035 363 V CA -0.872 61.449 62.300 0.035 0.000 0.873 363 V CB 1.084 32.892 31.823 -0.025 0.000 0.992 363 V HN 0.547 nan 8.190 nan 0.000 0.428 364 c N 4.892 123.547 118.600 0.093 0.000 2.417 364 c HA 0.888 5.457 4.570 -0.001 0.000 0.324 364 c C -0.538 173.552 174.090 0.001 0.000 1.240 364 c CA -0.777 55.522 56.329 -0.049 0.000 1.632 364 c CB -0.063 42.380 42.510 -0.112 0.000 2.241 364 c HN 0.767 nan 8.230 nan 0.000 0.499 365 I N 6.140 126.666 120.570 -0.075 0.000 2.418 365 I HA 0.600 4.769 4.170 -0.001 0.000 0.287 365 I C -0.147 175.925 176.117 -0.075 0.000 1.008 365 I CA 0.029 61.242 61.300 -0.145 0.000 1.104 365 I CB 1.350 39.158 38.000 -0.320 0.000 1.264 365 I HN 0.963 nan 8.210 nan 0.000 0.438 366 H N 4.473 123.357 119.070 -0.309 0.000 2.967 366 H HA 0.494 5.049 4.556 -0.002 0.000 0.318 366 H C -1.885 173.355 175.328 -0.147 0.000 1.375 366 H CA -1.151 54.828 56.048 -0.116 0.000 1.132 366 H CB 1.313 31.074 29.762 -0.003 0.000 1.848 366 H HN 0.596 nan 8.280 nan 0.000 0.524 367 E N 1.059 121.283 120.200 0.040 0.000 2.227 367 E HA 0.611 4.960 4.350 -0.001 0.000 0.268 367 E C -1.032 175.592 176.600 0.040 0.000 0.907 367 E CA -0.895 55.472 56.400 -0.054 0.000 0.786 367 E CB 2.815 32.620 29.700 0.174 0.000 1.191 367 E HN 0.611 nan 8.360 nan 0.000 0.411 368 E N 1.513 121.706 120.200 -0.010 0.000 2.340 368 E HA 0.185 4.534 4.350 -0.001 0.000 0.273 368 E C -1.282 175.354 176.600 0.059 0.000 0.891 368 E CA -1.053 55.371 56.400 0.039 0.000 0.757 368 E CB 1.708 31.397 29.700 -0.018 0.000 1.231 368 E HN 0.472 nan 8.360 nan 0.000 0.439 369 D N 1.523 121.961 120.400 0.063 0.000 2.525 369 D HA -0.020 4.620 4.640 -0.001 0.000 0.235 369 D C -0.217 176.102 176.300 0.032 0.000 1.137 369 D CA 0.937 54.968 54.000 0.052 0.000 0.868 369 D CB 0.551 41.373 40.800 0.037 0.000 1.180 369 D HN 0.343 nan 8.370 nan 0.000 0.465 370 D N 0.592 121.013 120.400 0.035 0.000 2.819 370 D HA 0.308 4.947 4.640 -0.001 0.000 0.326 370 D C 0.827 177.132 176.300 0.009 0.000 1.408 370 D CA 0.065 54.076 54.000 0.019 0.000 0.811 370 D CB -0.068 40.753 40.800 0.035 0.000 1.148 370 D HN 0.564 nan 8.370 nan 0.000 0.457 371 G N 0.377 109.178 108.800 0.002 0.000 2.528 371 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.262 371 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.262 371 G C -0.318 174.569 174.900 -0.022 0.000 1.200 371 G CA -0.066 45.029 45.100 -0.009 0.000 0.951 371 G HN 0.310 nan 8.290 nan 0.000 0.566 372 L N 0.509 121.715 121.223 -0.028 0.000 2.350 372 L HA 0.472 4.812 4.340 -0.001 0.000 0.275 372 L C 1.605 178.429 176.870 -0.075 0.000 1.099 372 L CA -0.774 54.031 54.840 -0.059 0.000 0.808 372 L CB 1.342 43.380 42.059 -0.036 0.000 1.149 372 L HN 0.554 nan 8.230 nan 0.000 0.442 373 L N 3.466 124.571 121.223 -0.197 0.000 2.145 373 L HA 0.261 4.600 4.340 -0.001 0.000 0.201 373 L C -0.174 176.620 176.870 -0.127 0.000 1.075 373 L CA 1.350 56.050 54.840 -0.234 0.000 0.773 373 L CB 0.238 42.014 42.059 -0.473 0.000 0.936 373 L HN 0.568 nan 8.230 nan 0.000 0.451 374 F N -2.714 117.256 119.950 0.033 0.000 2.744 374 F HA 0.578 5.104 4.527 -0.002 0.000 0.311 374 F C -0.747 175.081 175.800 0.047 0.000 1.144 374 F CA -1.653 56.368 58.000 0.035 0.000 0.938 374 F CB 0.748 39.765 39.000 0.028 0.000 1.292 374 F HN -0.243 nan 8.300 nan 0.000 0.444 375 K N 0.693 121.285 120.400 0.321 0.000 2.546 375 K HA 0.611 4.931 4.320 -0.001 0.000 0.264 375 K C -2.466 174.295 176.600 0.268 0.000 0.937 375 K CA -0.830 55.599 56.287 0.237 0.000 0.833 375 K CB 2.369 34.938 32.500 0.114 0.000 1.378 375 K HN 1.047 nan 8.250 nan 0.000 0.432 376 H N 0.089 119.233 119.070 0.125 0.000 3.029 376 H HA 0.504 5.059 4.556 -0.002 0.000 0.358 376 H C -1.861 173.532 175.328 0.108 0.000 1.129 376 H CA -0.249 55.856 56.048 0.094 0.000 1.230 376 H CB 2.024 31.834 29.762 0.080 0.000 1.827 376 H HN 0.502 nan 8.280 nan 0.000 0.530 377 S N 2.899 118.219 115.700 -0.633 0.000 2.568 377 S HA 0.230 4.699 4.470 -0.001 0.000 0.293 377 S C -1.306 173.104 174.600 -0.318 0.000 1.089 377 S CA -0.894 57.135 58.200 -0.284 0.000 0.945 377 S CB 1.617 64.808 63.200 -0.014 0.000 1.077 377 S HN 0.673 nan 8.310 nan 0.000 0.485 378 D N 1.594 121.970 120.400 -0.041 0.000 2.317 378 D HA 0.239 4.878 4.640 -0.001 0.000 0.234 378 D C 0.965 177.227 176.300 -0.063 0.000 1.112 378 D CA -0.900 53.070 54.000 -0.050 0.000 0.840 378 D CB 0.523 41.252 40.800 -0.118 0.000 1.078 378 D HN 0.434 nan 8.370 nan 0.000 0.486 379 F N 3.796 123.743 119.950 -0.006 0.000 2.250 379 F HA -0.068 4.458 4.527 -0.001 0.000 0.301 379 F C 1.826 177.438 175.800 -0.312 0.000 1.077 379 F CA 0.615 58.401 58.000 -0.357 0.000 1.348 379 F CB -0.391 38.541 39.000 -0.114 0.000 1.040 379 F HN 0.226 nan 8.300 nan 0.000 0.509 380 R N 0.945 120.899 120.500 -0.909 0.000 2.103 380 R HA -0.166 4.173 4.340 -0.001 0.000 0.242 380 R C 0.765 176.897 176.300 -0.279 0.000 1.142 380 R CA 1.707 57.450 56.100 -0.594 0.000 0.960 380 R CB -0.791 29.159 30.300 -0.584 0.000 0.858 380 R HN 0.552 nan 8.270 nan 0.000 0.439 381 D N -1.300 118.949 120.400 -0.252 0.000 2.738 381 D HA -0.003 4.636 4.640 -0.001 0.000 0.246 381 D C -0.487 175.709 176.300 -0.173 0.000 1.270 381 D CA -0.403 53.501 54.000 -0.160 0.000 0.833 381 D CB -0.745 39.993 40.800 -0.102 0.000 1.040 381 D HN 0.149 nan 8.370 nan 0.000 0.487 382 N N 0.947 119.464 118.700 -0.306 0.000 2.740 382 N HA -0.278 4.461 4.740 -0.001 0.000 0.248 382 N C -0.670 174.641 175.510 -0.332 0.000 1.062 382 N CA 0.437 53.229 53.050 -0.430 0.000 0.704 382 N CB -0.945 37.436 38.487 -0.177 0.000 0.968 382 N HN 0.244 nan 8.380 nan 0.000 0.547 383 F N -4.489 115.467 119.950 0.009 0.000 2.914 383 F HA -0.339 4.187 4.527 -0.001 0.000 0.304 383 F C 1.731 177.540 175.800 0.017 0.000 0.712 383 F CA 0.884 58.882 58.000 -0.002 0.000 1.211 383 F CB -2.190 36.815 39.000 0.008 0.000 1.515 383 F HN 0.299 nan 8.300 nan 0.000 0.350 384 A N -1.014 121.873 122.820 0.113 0.000 1.908 384 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 384 A C 1.497 179.150 177.584 0.114 0.000 1.181 384 A CA 2.038 54.140 52.037 0.108 0.000 0.627 384 A CB -0.569 18.459 19.000 0.048 0.000 0.818 384 A HN 0.368 nan 8.150 nan 0.000 0.445 385 T N 0.945 115.536 114.554 0.061 0.000 2.752 385 T HA 0.442 4.791 4.350 -0.001 0.000 0.295 385 T C -0.284 174.461 174.700 0.075 0.000 0.923 385 T CA 0.606 62.731 62.100 0.041 0.000 1.112 385 T CB 0.211 69.076 68.868 -0.005 0.000 0.884 385 T HN 0.308 nan 8.240 nan 0.000 0.525 386 S N 3.407 119.160 115.700 0.088 0.000 2.542 386 S HA 0.663 5.132 4.470 -0.001 0.000 0.276 386 S C -1.809 172.853 174.600 0.103 0.000 1.148 386 S CA -0.836 57.438 58.200 0.123 0.000 0.886 386 S CB 1.001 64.338 63.200 0.229 0.000 1.109 386 S HN 0.659 nan 8.310 nan 0.000 0.458 387 L N 4.555 125.854 121.223 0.128 0.000 2.438 387 L HA 0.881 5.220 4.340 -0.001 0.000 0.270 387 L C -1.703 175.277 176.870 0.183 0.000 0.972 387 L CA -0.502 54.418 54.840 0.134 0.000 0.831 387 L CB 1.782 43.924 42.059 0.139 0.000 1.273 387 L HN 0.532 nan 8.230 nan 0.000 0.405 388 V N 2.286 122.300 119.914 0.166 0.000 2.638 388 V HA 0.632 4.752 4.120 -0.001 0.000 0.306 388 V C -0.401 175.705 176.094 0.021 0.000 1.052 388 V CA -0.457 61.907 62.300 0.108 0.000 0.885 388 V CB 1.854 33.736 31.823 0.099 0.000 0.999 388 V HN 0.761 nan 8.190 nan 0.000 0.424 389 T N 4.428 118.890 114.554 -0.154 0.000 2.841 389 T HA 0.512 4.861 4.350 -0.001 0.000 0.285 389 T C -0.182 174.312 174.700 -0.344 0.000 0.991 389 T CA -0.663 61.249 62.100 -0.314 0.000 0.966 389 T CB 1.402 69.883 68.868 -0.645 0.000 0.962 389 T HN 0.587 nan 8.240 nan 0.000 0.438 390 R N 1.355 121.743 120.500 -0.187 0.000 2.500 390 R HA 0.724 5.063 4.340 -0.001 0.000 0.275 390 R C -0.084 176.145 176.300 -0.119 0.000 1.051 390 R CA -0.672 55.354 56.100 -0.123 0.000 1.088 390 R CB 0.950 31.221 30.300 -0.048 0.000 1.063 390 R HN 0.668 nan 8.270 nan 0.000 0.511 391 A N 1.496 124.278 122.820 -0.063 0.000 2.305 391 A HA 0.464 4.783 4.320 -0.001 0.000 0.322 391 A C -0.447 177.187 177.584 0.082 0.000 1.187 391 A CA -0.414 51.626 52.037 0.005 0.000 0.825 391 A CB 1.192 20.203 19.000 0.019 0.000 1.164 391 A HN 0.605 nan 8.150 nan 0.000 0.498 392 T N 2.507 117.167 114.554 0.177 0.000 2.829 392 T HA 0.530 4.879 4.350 -0.001 0.000 0.280 392 T C -0.256 174.697 174.700 0.422 0.000 0.999 392 T CA -0.662 61.604 62.100 0.276 0.000 0.983 392 T CB 1.221 70.297 68.868 0.347 0.000 0.968 392 T HN 0.757 nan 8.240 nan 0.000 0.446 393 K N 2.495 123.031 120.400 0.228 0.000 2.203 393 K HA 0.649 4.968 4.320 -0.001 0.000 0.251 393 K C -1.089 175.326 176.600 -0.307 0.000 0.944 393 K CA -1.028 55.304 56.287 0.075 0.000 0.829 393 K CB 1.731 34.232 32.500 0.002 0.000 1.125 393 K HN 0.382 nan 8.250 nan 0.000 0.430 394 L N 3.359 124.120 121.223 -0.770 0.000 2.295 394 L HA 0.431 4.770 4.340 -0.001 0.000 0.285 394 L C -1.314 175.286 176.870 -0.450 0.000 1.035 394 L CA -0.884 53.381 54.840 -0.959 0.000 0.806 394 L CB 1.696 42.766 42.059 -1.649 0.000 1.214 394 L HN 0.571 nan 8.230 nan 0.000 0.426 395 V N 5.553 125.197 119.914 -0.450 0.000 2.487 395 V HA 0.426 4.545 4.120 -0.001 0.000 0.298 395 V C -0.296 175.721 176.094 -0.129 0.000 1.028 395 V CA -0.633 61.521 62.300 -0.244 0.000 0.860 395 V CB 2.182 33.786 31.823 -0.365 0.000 0.991 395 V HN 0.490 nan 8.190 nan 0.000 0.427 396 V N 4.421 124.383 119.914 0.080 0.000 2.407 396 V HA 0.742 4.861 4.120 -0.001 0.000 0.291 396 V C -0.029 176.212 176.094 0.245 0.000 1.018 396 V CA -0.209 62.172 62.300 0.135 0.000 0.842 396 V CB 1.687 33.621 31.823 0.184 0.000 0.996 396 V HN 1.021 nan 8.190 nan 0.000 0.426 397 S N 4.453 120.257 115.700 0.174 0.000 2.588 397 S HA 0.908 5.377 4.470 -0.001 0.000 0.275 397 S C -1.083 173.570 174.600 0.088 0.000 1.130 397 S CA -0.808 57.443 58.200 0.084 0.000 0.855 397 S CB 2.529 65.710 63.200 -0.032 0.000 1.116 397 S HN 0.838 nan 8.310 nan 0.000 0.472 398 Q N 0.740 120.563 119.800 0.039 0.000 2.501 398 Q HA 0.780 5.120 4.340 -0.001 0.000 0.288 398 Q C -1.668 174.351 176.000 0.031 0.000 1.051 398 Q CA -1.178 54.702 55.803 0.128 0.000 0.788 398 Q CB 1.654 30.595 28.738 0.339 0.000 1.469 398 Q HN 0.754 nan 8.270 nan 0.000 0.416 399 I N 2.242 122.875 120.570 0.105 0.000 2.478 399 I HA 0.478 4.647 4.170 -0.001 0.000 0.287 399 I C -1.132 175.103 176.117 0.197 0.000 1.042 399 I CA -0.906 60.428 61.300 0.057 0.000 1.067 399 I CB 1.417 39.417 38.000 0.001 0.000 1.233 399 I HN 0.674 nan 8.210 nan 0.000 0.431 400 F N 3.197 123.232 119.950 0.142 0.000 2.538 400 F HA 0.819 5.346 4.527 -0.002 0.000 0.325 400 F C -0.567 175.333 175.800 0.166 0.000 1.066 400 F CA -0.734 57.364 58.000 0.163 0.000 0.946 400 F CB 1.619 40.721 39.000 0.171 0.000 1.199 400 F HN 0.164 nan 8.300 nan 0.000 0.473 401 T N 2.520 117.290 114.554 0.360 0.000 2.786 401 T HA 0.685 5.034 4.350 -0.001 0.000 0.283 401 T C -0.560 174.293 174.700 0.254 0.000 0.992 401 T CA -0.467 61.750 62.100 0.194 0.000 0.954 401 T CB 1.135 70.070 68.868 0.112 0.000 0.934 401 T HN 0.918 nan 8.240 nan 0.000 0.440 402 A N 2.910 125.858 122.820 0.214 0.000 2.540 402 A HA 0.779 5.098 4.320 -0.001 0.000 0.340 402 A C 1.159 178.681 177.584 -0.104 0.000 1.424 402 A CA 0.051 52.111 52.037 0.040 0.000 0.940 402 A CB -0.799 18.317 19.000 0.192 0.000 1.149 402 A HN 1.489 nan 8.150 nan 0.000 0.505 403 A N 2.508 125.253 122.820 -0.124 0.000 5.078 403 A HA -0.320 3.999 4.320 -0.001 0.000 0.342 403 A C 1.103 178.715 177.584 0.045 0.000 1.749 403 A CA 1.742 53.767 52.037 -0.019 0.000 0.700 403 A CB -2.121 16.864 19.000 -0.026 0.000 1.446 403 A HN 1.564 nan 8.150 nan 0.000 0.395 407 Y N 1.205 121.203 120.300 -0.504 0.000 2.328 407 Y HA 0.443 4.992 4.550 -0.002 0.000 0.333 407 Y C -0.408 175.246 175.900 -0.410 0.000 0.958 407 Y CA -0.824 56.968 58.100 -0.513 0.000 1.167 407 Y CB 1.202 39.138 38.460 -0.875 0.000 1.151 407 Y HN 0.458 nan 8.280 nan 0.000 0.470 408 C N 5.733 124.950 119.300 -0.139 0.000 2.255 408 C HA 0.618 5.077 4.460 -0.001 0.000 0.326 408 C C -0.049 174.759 174.990 -0.304 0.000 1.258 408 C CA -1.149 57.747 59.018 -0.205 0.000 1.676 408 C CB -1.084 26.633 27.740 -0.040 0.000 2.314 408 C HN 0.643 nan 8.230 nan 0.000 0.509 409 L N 3.825 124.773 121.223 -0.459 0.000 2.333 409 L HA 0.540 4.880 4.340 -0.001 0.000 0.280 409 L C -1.122 175.397 176.870 -0.584 0.000 1.004 409 L CA -0.477 54.136 54.840 -0.378 0.000 0.820 409 L CB 0.847 42.830 42.059 -0.127 0.000 1.247 409 L HN 0.604 nan 8.230 nan 0.000 0.416 410 Y N 0.742 120.878 120.300 -0.272 0.000 2.327 410 Y HA 0.324 4.873 4.550 -0.002 0.000 0.325 410 Y C -0.894 174.800 175.900 -0.343 0.000 0.999 410 Y CA -0.665 57.323 58.100 -0.188 0.000 1.195 410 Y CB 1.226 39.604 38.460 -0.136 0.000 1.132 410 Y HN 0.465 nan 8.280 nan 0.000 0.455 411 W N 3.634 124.946 121.300 0.020 0.000 2.322 411 W HA 0.643 5.302 4.660 -0.001 0.000 0.307 411 W C -0.913 175.536 176.519 -0.117 0.000 1.220 411 W CA -0.738 56.550 57.345 -0.094 0.000 1.210 411 W CB 1.123 30.535 29.460 -0.079 0.000 1.223 411 W HN 0.129 nan 8.180 nan 0.000 0.511 412 V N 5.161 125.024 119.914 -0.085 0.000 2.444 412 V HA 0.420 4.539 4.120 -0.001 0.000 0.294 412 V C -0.644 175.264 176.094 -0.310 0.000 1.022 412 V CA -1.125 61.099 62.300 -0.128 0.000 0.850 412 V CB 0.704 32.454 31.823 -0.123 0.000 0.992 412 V HN 0.213 nan 8.190 nan 0.000 0.426 413 F N 4.428 124.248 119.950 -0.217 0.000 2.443 413 F HA 0.747 5.273 4.527 -0.001 0.000 0.335 413 F C 0.316 176.221 175.800 0.174 0.000 1.104 413 F CA -0.479 57.420 58.000 -0.169 0.000 1.013 413 F CB 1.780 40.557 39.000 -0.373 0.000 1.136 413 F HN 0.271 nan 8.300 nan 0.000 0.470 414 M N 1.610 121.552 119.600 0.569 0.000 2.690 414 M HA 0.308 4.787 4.480 -0.001 0.000 0.302 414 M C 0.503 177.202 176.300 0.665 0.000 1.234 414 M CA -0.566 55.079 55.300 0.574 0.000 0.853 414 M CB 2.410 35.184 32.600 0.289 0.000 1.748 414 M HN 0.594 nan 8.290 nan 0.000 0.469 415 Q N 0.501 120.562 119.800 0.435 0.000 2.444 415 Q HA -0.080 4.259 4.340 -0.001 0.000 0.206 415 Q C 0.345 176.440 176.000 0.158 0.000 0.948 415 Q CA 0.597 56.541 55.803 0.236 0.000 0.946 415 Q CB 0.101 28.901 28.738 0.105 0.000 1.027 415 Q HN 0.622 nan 8.270 nan 0.000 0.513 416 D N -1.129 119.375 120.400 0.173 0.000 2.328 416 D HA 0.031 4.670 4.640 -0.001 0.000 0.221 416 D C 1.125 177.438 176.300 0.021 0.000 1.072 416 D CA 0.705 54.746 54.000 0.068 0.000 0.850 416 D CB 0.230 41.084 40.800 0.090 0.000 0.922 416 D HN 0.226 nan 8.370 nan 0.000 0.516 417 G N -0.221 108.687 108.800 0.180 0.000 2.176 417 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.253 417 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.253 417 G C 0.509 175.726 174.900 0.528 0.000 0.979 417 G CA 0.178 45.442 45.100 0.274 0.000 0.641 417 G HN 0.817 nan 8.290 nan 0.000 0.530 418 A N -0.330 122.702 122.820 0.353 0.000 2.351 418 A HA 0.792 5.111 4.320 -0.001 0.000 0.257 418 A C 0.183 177.892 177.584 0.208 0.000 1.087 418 A CA 0.082 52.273 52.037 0.256 0.000 0.798 418 A CB 0.516 19.583 19.000 0.112 0.000 1.033 418 A HN 0.849 nan 8.150 nan 0.000 0.488 419 I N 0.797 121.411 120.570 0.072 0.000 2.498 419 I HA 0.476 4.645 4.170 -0.001 0.000 0.290 419 I C 0.120 176.139 176.117 -0.163 0.000 1.032 419 I CA -0.291 60.868 61.300 -0.234 0.000 1.073 419 I CB 1.989 39.778 38.000 -0.352 0.000 1.251 419 I HN 0.755 nan 8.210 nan 0.000 0.426 420 R N 4.681 125.042 120.500 -0.232 0.000 2.750 420 R HA 0.694 5.033 4.340 -0.001 0.000 0.281 420 R C -1.776 174.368 176.300 -0.260 0.000 0.972 420 R CA -0.865 55.118 56.100 -0.195 0.000 0.912 420 R CB 2.125 32.334 30.300 -0.152 0.000 1.187 420 R HN 0.484 nan 8.270 nan 0.000 0.464 421 L N 3.208 124.228 121.223 -0.339 0.000 2.305 421 L HA 0.476 4.815 4.340 -0.001 0.000 0.284 421 L C -1.516 175.116 176.870 -0.398 0.000 1.013 421 L CA -0.196 54.327 54.840 -0.528 0.000 0.819 421 L CB 1.592 43.180 42.059 -0.786 0.000 1.227 421 L HN 0.556 nan 8.230 nan 0.000 0.417 422 D N 5.990 126.211 120.400 -0.298 0.000 2.256 422 D HA 0.551 5.190 4.640 -0.001 0.000 0.246 422 D C -0.458 175.795 176.300 -0.079 0.000 1.042 422 D CA 0.188 54.089 54.000 -0.165 0.000 0.841 422 D CB 2.226 42.946 40.800 -0.133 0.000 1.223 422 D HN 0.445 nan 8.370 nan 0.000 0.470 423 I N 1.435 121.956 120.570 -0.082 0.000 2.569 423 I HA 0.404 4.573 4.170 -0.001 0.000 0.296 423 I C 0.044 176.160 176.117 -0.000 0.000 1.028 423 I CA -0.817 60.450 61.300 -0.055 0.000 1.082 423 I CB 2.094 39.965 38.000 -0.214 0.000 1.264 423 I HN -0.054 nan 8.210 nan 0.000 0.429 424 R N 5.950 126.485 120.500 0.057 0.000 2.439 424 R HA 0.601 4.940 4.340 -0.001 0.000 0.310 424 R C -1.305 174.947 176.300 -0.081 0.000 0.955 424 R CA -0.832 55.268 56.100 -0.000 0.000 0.853 424 R CB 2.127 32.462 30.300 0.059 0.000 1.171 424 R HN 0.491 nan 8.270 nan 0.000 0.449 425 L N 2.315 123.446 121.223 -0.153 0.000 2.276 425 L HA 0.431 4.771 4.340 -0.001 0.000 0.286 425 L C 0.659 177.379 176.870 -0.250 0.000 1.061 425 L CA -0.049 54.618 54.840 -0.288 0.000 0.807 425 L CB 1.453 43.296 42.059 -0.360 0.000 1.177 425 L HN 0.674 nan 8.230 nan 0.000 0.429 426 T N 1.122 115.503 114.554 -0.290 0.000 2.587 426 T HA 0.797 5.146 4.350 -0.001 0.000 0.282 426 T C 0.010 174.561 174.700 -0.247 0.000 1.018 426 T CA 0.428 62.394 62.100 -0.223 0.000 1.120 426 T CB 1.299 70.059 68.868 -0.179 0.000 1.538 426 T HN 0.975 nan 8.240 nan 0.000 0.480 427 G N 0.386 109.047 108.800 -0.233 0.000 2.527 427 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.227 427 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.227 427 G C -0.882 173.876 174.900 -0.236 0.000 1.291 427 G CA -0.134 44.824 45.100 -0.238 0.000 0.904 427 G HN 0.923 nan 8.290 nan 0.000 0.577 428 I N 0.828 121.247 120.570 -0.252 0.000 2.474 428 I HA 0.415 4.584 4.170 -0.001 0.000 0.294 428 I C 0.755 176.761 176.117 -0.185 0.000 1.005 428 I CA -0.887 60.247 61.300 -0.277 0.000 1.113 428 I CB 1.732 39.429 38.000 -0.506 0.000 1.289 428 I HN 0.494 nan 8.210 nan 0.000 0.436 429 L N 5.223 126.446 121.223 0.001 0.000 2.559 429 L HA -0.019 4.321 4.340 -0.001 0.000 0.282 429 L C 0.955 177.837 176.870 0.021 0.000 1.232 429 L CA 0.301 55.189 54.840 0.080 0.000 0.885 429 L CB -0.193 41.976 42.059 0.183 0.000 1.131 429 L HN 0.667 nan 8.230 nan 0.000 0.498 430 N N 2.372 121.120 118.700 0.079 0.000 2.483 430 N HA 0.061 4.800 4.740 -0.001 0.000 0.264 430 N C -0.678 174.915 175.510 0.138 0.000 1.197 430 N CA -0.095 53.046 53.050 0.152 0.000 0.927 430 N CB 0.895 39.467 38.487 0.142 0.000 1.065 430 N HN 0.696 nan 8.380 nan 0.000 0.461 431 T N 0.864 115.572 114.554 0.257 0.000 2.893 431 T HA 0.419 4.769 4.350 -0.001 0.000 0.291 431 T C -1.001 173.776 174.700 0.128 0.000 1.028 431 T CA -0.756 61.435 62.100 0.151 0.000 0.995 431 T CB 1.528 70.535 68.868 0.232 0.000 1.051 431 T HN 0.495 nan 8.240 nan 0.000 0.470 432 Y N 1.423 121.581 120.300 -0.237 0.000 2.602 432 Y HA 0.685 5.234 4.550 -0.002 0.000 0.342 432 Y C -0.397 175.407 175.900 -0.161 0.000 1.029 432 Y CA -2.149 55.801 58.100 -0.250 0.000 1.080 432 Y CB 1.478 39.700 38.460 -0.398 0.000 1.284 432 Y HN 0.981 nan 8.280 nan 0.000 0.485 433 I N 4.178 124.142 120.570 -1.009 0.000 2.696 433 I HA 0.238 4.407 4.170 -0.001 0.000 0.284 433 I C -1.277 174.593 176.117 -0.412 0.000 1.129 433 I CA -0.247 60.678 61.300 -0.624 0.000 1.410 433 I CB 0.575 38.215 38.000 -0.599 0.000 1.399 433 I HN 0.612 nan 8.210 nan 0.000 0.579 434 L N 6.733 127.831 121.223 -0.207 0.000 2.410 434 L HA 0.639 4.978 4.340 -0.001 0.000 0.270 434 L C -0.014 176.813 176.870 -0.071 0.000 0.983 434 L CA -0.126 54.661 54.840 -0.088 0.000 0.822 434 L CB 1.618 43.640 42.059 -0.062 0.000 1.285 434 L HN 0.624 nan 8.230 nan 0.000 0.409 435 G N 2.156 110.939 108.800 -0.029 0.000 2.594 435 G HA2 0.125 4.084 3.960 -0.001 0.000 0.243 435 G HA3 0.125 4.084 3.960 -0.001 0.000 0.243 435 G C 0.294 175.184 174.900 -0.015 0.000 1.229 435 G CA -0.170 44.919 45.100 -0.018 0.000 0.843 435 G HN 0.796 nan 8.290 nan 0.000 0.578 436 D N 0.070 120.465 120.400 -0.008 0.000 2.149 436 D HA -0.152 4.487 4.640 -0.001 0.000 0.194 436 D C 1.811 178.107 176.300 -0.007 0.000 1.001 436 D CA 1.853 55.851 54.000 -0.003 0.000 0.849 436 D CB 0.139 40.942 40.800 0.006 0.000 0.939 436 D HN 0.622 nan 8.370 nan 0.000 0.449 437 D N -0.446 119.953 120.400 -0.002 0.000 2.402 437 D HA -0.021 4.618 4.640 -0.001 0.000 0.216 437 D C 0.186 176.489 176.300 0.005 0.000 1.128 437 D CA -0.190 53.810 54.000 -0.001 0.000 0.833 437 D CB -0.471 40.330 40.800 0.002 0.000 0.971 437 D HN 0.171 nan 8.370 nan 0.000 0.503 438 E N 0.875 121.080 120.200 0.008 0.000 2.289 438 E HA 0.119 4.468 4.350 -0.001 0.000 0.278 438 E C -0.678 175.933 176.600 0.018 0.000 1.032 438 E CA -0.487 55.928 56.400 0.024 0.000 0.854 438 E CB 0.874 30.598 29.700 0.040 0.000 1.046 438 E HN -0.004 nan 8.360 nan 0.000 0.409 439 E N 3.156 123.370 120.200 0.023 0.000 2.229 439 E HA 0.231 4.581 4.350 -0.001 0.000 0.283 439 E C -0.119 176.500 176.600 0.032 0.000 1.030 439 E CA 0.129 56.534 56.400 0.009 0.000 0.836 439 E CB 1.438 31.132 29.700 -0.010 0.000 1.068 439 E HN 0.537 nan 8.360 nan 0.000 0.401 440 A N 4.066 126.904 122.820 0.029 0.000 1.970 440 A HA 0.207 4.526 4.320 -0.001 0.000 0.216 440 A C 1.293 178.905 177.584 0.046 0.000 1.170 440 A CA 0.829 52.910 52.037 0.073 0.000 0.645 440 A CB -0.682 18.355 19.000 0.062 0.000 0.816 440 A HN 0.642 nan 8.150 nan 0.000 0.447 441 G N -0.406 108.372 108.800 -0.037 0.000 2.606 441 G HA2 0.394 4.354 3.960 -0.001 0.000 0.252 441 G HA3 0.394 4.354 3.960 -0.001 0.000 0.252 441 G C -1.248 173.456 174.900 -0.326 0.000 1.206 441 G CA -0.380 44.636 45.100 -0.140 0.000 0.861 441 G HN 0.206 nan 8.290 nan 0.000 0.561 442 P HA 0.078 nan 4.420 nan 0.000 0.255 442 P C 0.412 177.496 177.300 -0.360 0.000 1.248 442 P CA 0.324 63.069 63.100 -0.592 0.000 0.807 442 P CB 0.136 31.340 31.700 -0.827 0.000 1.150 443 W N 0.468 121.821 121.300 0.089 0.000 3.197 443 W HA 0.411 5.070 4.660 -0.002 0.000 0.274 443 W C 1.028 177.647 176.519 0.167 0.000 1.297 443 W CA -0.090 57.314 57.345 0.098 0.000 1.662 443 W CB 0.351 29.821 29.460 0.017 0.000 1.106 443 W HN -0.016 nan 8.180 nan 0.000 0.663 444 G N -0.544 108.450 108.800 0.322 0.000 2.606 444 G HA2 0.528 4.488 3.960 -0.001 0.000 0.300 444 G HA3 0.528 4.488 3.960 -0.001 0.000 0.300 444 G C -1.452 173.546 174.900 0.163 0.000 1.360 444 G CA -0.619 44.660 45.100 0.298 0.000 0.783 444 G HN -0.295 nan 8.290 nan 0.000 0.484 445 T N 0.108 114.731 114.554 0.116 0.000 2.861 445 T HA 0.461 4.810 4.350 -0.001 0.000 0.287 445 T C -0.066 174.634 174.700 0.001 0.000 1.003 445 T CA -0.632 61.502 62.100 0.056 0.000 0.977 445 T CB 1.908 70.814 68.868 0.065 0.000 0.996 445 T HN 0.570 nan 8.240 nan 0.000 0.448 446 R N 2.824 123.314 120.500 -0.016 0.000 2.309 446 R HA 0.252 4.591 4.340 -0.001 0.000 0.331 446 R C 1.041 177.302 176.300 -0.066 0.000 1.116 446 R CA -0.135 55.931 56.100 -0.057 0.000 0.970 446 R CB -0.197 30.071 30.300 -0.054 0.000 1.024 446 R HN 0.583 nan 8.270 nan 0.000 0.472 447 V N 2.304 122.141 119.914 -0.129 0.000 3.650 447 V HA 0.277 4.397 4.120 -0.001 0.000 0.271 447 V C -0.263 175.821 176.094 -0.017 0.000 1.281 447 V CA -0.013 62.218 62.300 -0.114 0.000 1.120 447 V CB -0.845 30.830 31.823 -0.247 0.000 0.856 447 V HN 0.698 nan 8.190 nan 0.000 0.443 448 Y N -0.780 119.378 120.300 -0.236 0.000 2.638 448 Y HA 0.541 5.090 4.550 -0.001 0.000 0.334 448 Y C -3.180 172.590 175.900 -0.218 0.000 1.182 448 Y CA -2.118 55.887 58.100 -0.159 0.000 1.102 448 Y CB 1.523 39.927 38.460 -0.093 0.000 1.343 448 Y HN -0.113 nan 8.280 nan 0.000 0.463 449 P HA 0.179 nan 4.420 nan 0.000 0.262 449 P C -0.658 176.399 177.300 -0.406 0.000 1.182 449 P CA 1.340 64.043 63.100 -0.662 0.000 0.761 449 P CB 0.175 31.113 31.700 -1.269 0.000 0.795 450 N N -0.800 117.766 118.700 -0.222 0.000 2.753 450 N HA -0.142 4.597 4.740 -0.001 0.000 0.251 450 N C -0.877 174.550 175.510 -0.137 0.000 1.097 450 N CA 0.275 53.245 53.050 -0.134 0.000 0.786 450 N CB -1.380 37.058 38.487 -0.080 0.000 1.137 450 N HN 0.124 nan 8.380 nan 0.000 0.566 451 V N 0.852 120.685 119.914 -0.135 0.000 2.409 451 V HA 0.295 4.414 4.120 -0.001 0.000 0.291 451 V C 0.025 176.020 176.094 -0.165 0.000 1.020 451 V CA -0.677 61.530 62.300 -0.155 0.000 0.848 451 V CB 1.735 33.431 31.823 -0.212 0.000 0.990 451 V HN 0.236 nan 8.190 nan 0.000 0.430 452 N N 3.222 121.833 118.700 -0.148 0.000 2.476 452 N HA 0.634 5.373 4.740 -0.001 0.000 0.257 452 N C -0.350 175.050 175.510 -0.182 0.000 0.970 452 N CA -0.428 52.553 53.050 -0.115 0.000 0.938 452 N CB 1.167 39.626 38.487 -0.047 0.000 1.144 452 N HN 0.834 nan 8.380 nan 0.000 0.500 453 A N 3.555 126.310 122.820 -0.109 0.000 2.294 453 A HA 0.254 4.573 4.320 -0.001 0.000 0.316 453 A C -0.626 177.017 177.584 0.099 0.000 1.359 453 A CA -0.431 51.577 52.037 -0.048 0.000 0.956 453 A CB -0.115 18.866 19.000 -0.032 0.000 1.155 453 A HN 0.841 nan 8.150 nan 0.000 0.544 454 H N 2.161 121.344 119.070 0.189 0.000 2.790 454 H HA 0.065 4.620 4.556 -0.001 0.000 0.358 454 H C 0.198 175.705 175.328 0.299 0.000 1.103 454 H CA -0.453 55.751 56.048 0.260 0.000 1.426 454 H CB 0.667 30.607 29.762 0.296 0.000 1.424 454 H HN 0.660 nan 8.280 nan 0.000 0.599 455 N N 3.021 121.924 118.700 0.339 0.000 2.395 455 N HA -0.010 4.729 4.740 -0.001 0.000 0.246 455 N C -0.195 175.264 175.510 -0.085 0.000 1.246 455 N CA 0.497 53.584 53.050 0.061 0.000 0.879 455 N CB 0.358 38.920 38.487 0.124 0.000 1.098 455 N HN 0.689 nan 8.380 nan 0.000 0.444 456 H N -1.714 117.076 119.070 -0.467 0.000 3.037 456 H HA 0.330 4.885 4.556 -0.002 0.000 0.336 456 H C -1.340 173.704 175.328 -0.472 0.000 1.323 456 H CA -0.781 54.860 56.048 -0.678 0.000 1.159 456 H CB 0.878 29.729 29.762 -1.518 0.000 1.882 456 H HN 0.393 nan 8.280 nan 0.000 0.535 457 Q N 0.830 120.418 119.800 -0.353 0.000 2.257 457 Q HA 0.353 4.693 4.340 -0.001 0.000 0.262 457 Q C -0.689 175.181 176.000 -0.217 0.000 0.997 457 Q CA -0.918 54.744 55.803 -0.235 0.000 0.873 457 Q CB 2.201 30.846 28.738 -0.155 0.000 1.312 457 Q HN 0.531 nan 8.270 nan 0.000 0.450 458 H N 2.046 121.105 119.070 -0.019 0.000 2.638 458 H HA 0.423 4.978 4.556 -0.001 0.000 0.317 458 H C -0.832 174.377 175.328 -0.200 0.000 1.006 458 H CA -0.291 55.721 56.048 -0.060 0.000 1.222 458 H CB 0.845 30.689 29.762 0.137 0.000 1.419 458 H HN 0.351 nan 8.280 nan 0.000 0.489 459 L N 3.711 124.769 121.223 -0.275 0.000 2.362 459 L HA 0.485 4.824 4.340 -0.001 0.000 0.271 459 L C -0.898 175.715 176.870 -0.428 0.000 1.002 459 L CA -0.808 53.913 54.840 -0.198 0.000 0.818 459 L CB 1.606 43.642 42.059 -0.038 0.000 1.298 459 L HN 0.356 nan 8.230 nan 0.000 0.420 460 F N -0.082 119.728 119.950 -0.233 0.000 2.563 460 F HA 0.432 4.958 4.527 -0.001 0.000 0.316 460 F C 0.274 175.912 175.800 -0.270 0.000 1.076 460 F CA -0.735 57.044 58.000 -0.369 0.000 0.921 460 F CB 2.230 40.700 39.000 -0.883 0.000 1.209 460 F HN 0.237 nan 8.300 nan 0.000 0.462 461 S N 3.224 118.799 115.700 -0.208 0.000 2.528 461 S HA 0.449 4.918 4.470 -0.001 0.000 0.303 461 S C -1.035 173.622 174.600 0.095 0.000 1.123 461 S CA -0.551 57.535 58.200 -0.191 0.000 1.138 461 S CB -0.050 62.628 63.200 -0.870 0.000 0.984 461 S HN 0.562 nan 8.310 nan 0.000 0.474 462 L N 5.908 127.314 121.223 0.305 0.000 2.418 462 L HA 0.463 4.802 4.340 -0.001 0.000 0.274 462 L C 0.303 177.215 176.870 0.071 0.000 1.135 462 L CA 0.370 55.371 54.840 0.269 0.000 0.870 462 L CB 0.421 42.686 42.059 0.344 0.000 1.154 462 L HN 0.670 nan 8.230 nan 0.000 0.462 463 R N 6.323 126.753 120.500 -0.116 0.000 2.229 463 R HA 0.541 4.881 4.340 -0.001 0.000 0.332 463 R C -1.301 174.758 176.300 -0.401 0.000 0.989 463 R CA -0.485 55.304 56.100 -0.519 0.000 0.842 463 R CB 0.471 30.430 30.300 -0.568 0.000 1.119 463 R HN 0.770 nan 8.270 nan 0.000 0.456 464 I N 3.573 123.906 120.570 -0.395 0.000 2.362 464 I HA 0.169 4.338 4.170 -0.001 0.000 0.289 464 I C -0.545 175.413 176.117 -0.265 0.000 0.994 464 I CA -0.728 60.337 61.300 -0.393 0.000 1.158 464 I CB 1.834 39.557 38.000 -0.462 0.000 1.315 464 I HN 0.514 nan 8.210 nan 0.000 0.451 465 D N 9.612 129.889 120.400 -0.206 0.000 2.473 465 D HA 0.337 4.976 4.640 -0.001 0.000 0.226 465 D C -2.554 173.772 176.300 0.044 0.000 1.089 465 D CA -2.063 51.911 54.000 -0.043 0.000 0.883 465 D CB 1.359 42.174 40.800 0.025 0.000 1.029 465 D HN 0.136 nan 8.370 nan 0.000 0.517 466 P HA 0.399 nan 4.420 nan 0.000 0.281 466 P C -0.531 176.856 177.300 0.145 0.000 1.264 466 P CA -0.659 62.578 63.100 0.229 0.000 0.824 466 P CB 1.342 33.157 31.700 0.191 0.000 1.092 467 R N 1.359 121.946 120.500 0.146 0.000 2.533 467 R HA 0.273 4.612 4.340 -0.001 0.000 0.268 467 R C -0.343 175.997 176.300 0.066 0.000 1.303 467 R CA -0.312 55.835 56.100 0.078 0.000 1.429 467 R CB -0.068 30.287 30.300 0.091 0.000 1.361 467 R HN 0.324 nan 8.270 nan 0.000 0.745 468 I N 2.529 123.149 120.570 0.083 0.000 2.680 468 I HA -0.018 4.151 4.170 -0.001 0.000 0.286 468 I C 0.526 176.748 176.117 0.175 0.000 1.144 468 I CA 0.873 62.259 61.300 0.144 0.000 1.370 468 I CB 0.093 38.215 38.000 0.204 0.000 1.420 468 I HN 0.596 nan 8.210 nan 0.000 0.540 469 D N 5.098 125.640 120.400 0.236 0.000 2.837 469 D HA -0.158 4.482 4.640 -0.001 0.000 0.230 469 D C 0.616 176.933 176.300 0.027 0.000 1.152 469 D CA 1.618 55.660 54.000 0.069 0.000 0.736 469 D CB -0.657 40.064 40.800 -0.132 0.000 1.084 469 D HN 1.169 nan 8.370 nan 0.000 0.429 470 G N -1.034 107.796 108.800 0.050 0.000 2.466 470 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.316 470 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.316 470 G C -1.026 173.883 174.900 0.015 0.000 1.270 470 G CA -0.211 44.904 45.100 0.025 0.000 0.982 470 G HN 0.209 nan 8.290 nan 0.000 0.506 471 D N 0.842 121.240 120.400 -0.004 0.000 2.283 471 D HA 0.541 5.180 4.640 -0.001 0.000 0.248 471 D C 0.792 177.081 176.300 -0.019 0.000 1.072 471 D CA 1.405 55.393 54.000 -0.020 0.000 0.929 471 D CB 1.203 41.982 40.800 -0.034 0.000 1.182 471 D HN 2.043 nan 8.370 nan 0.000 0.433 472 G N 1.510 110.295 108.800 -0.026 0.000 2.897 472 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.436 472 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.436 472 G C -0.711 174.161 174.900 -0.047 0.000 1.079 472 G CA -0.713 44.370 45.100 -0.028 0.000 1.090 472 G HN 0.580 nan 8.290 nan 0.000 0.480 473 N N -0.197 118.463 118.700 -0.066 0.000 2.469 473 N HA 0.828 5.567 4.740 -0.001 0.000 0.286 473 N C -0.453 174.927 175.510 -0.217 0.000 1.275 473 N CA -0.785 52.185 53.050 -0.132 0.000 0.790 473 N CB 2.039 40.493 38.487 -0.053 0.000 1.446 473 N HN 0.409 nan 8.380 nan 0.000 0.501 474 S N -0.222 115.189 115.700 -0.481 0.000 2.651 474 S HA 0.839 5.308 4.470 -0.001 0.000 0.279 474 S C -1.331 173.024 174.600 -0.408 0.000 1.148 474 S CA -0.683 57.215 58.200 -0.504 0.000 0.837 474 S CB 2.007 64.731 63.200 -0.793 0.000 1.138 474 S HN 0.686 nan 8.310 nan 0.000 0.478 475 A N 0.238 123.052 122.820 -0.011 0.000 2.469 475 A HA 1.002 5.321 4.320 -0.001 0.000 0.299 475 A C -1.094 176.471 177.584 -0.031 0.000 1.098 475 A CA -0.602 51.589 52.037 0.256 0.000 0.737 475 A CB 1.540 20.905 19.000 0.608 0.000 1.312 475 A HN 1.416 nan 8.150 nan 0.000 0.414 476 A N -0.224 122.528 122.820 -0.114 0.000 2.594 476 A HA 0.854 5.173 4.320 -0.001 0.000 0.295 476 A C -0.304 177.107 177.584 -0.287 0.000 1.071 476 A CA 0.036 51.741 52.037 -0.552 0.000 0.685 476 A CB 1.084 20.029 19.000 -0.091 0.000 1.285 476 A HN 2.442 nan 8.150 nan 0.000 0.405 477 A N 0.057 122.692 122.820 -0.309 0.000 2.309 477 A HA 0.580 4.899 4.320 -0.001 0.000 0.298 477 A C -0.272 177.228 177.584 -0.140 0.000 1.165 477 A CA -0.262 51.719 52.037 -0.094 0.000 0.821 477 A CB -0.040 19.037 19.000 0.128 0.000 1.102 477 A HN 1.220 nan 8.150 nan 0.000 0.500 478 C N 2.548 121.725 119.300 -0.204 0.000 2.322 478 C HA 0.572 5.031 4.460 -0.001 0.000 0.324 478 C C -0.835 174.051 174.990 -0.173 0.000 1.249 478 C CA -0.884 58.050 59.018 -0.141 0.000 1.453 478 C CB 0.245 27.931 27.740 -0.091 0.000 2.145 478 C HN 0.790 nan 8.230 nan 0.000 0.466 479 D N 2.340 122.651 120.400 -0.148 0.000 2.391 479 D HA 0.475 5.114 4.640 -0.001 0.000 0.245 479 D C -0.168 176.019 176.300 -0.189 0.000 1.069 479 D CA 0.135 54.034 54.000 -0.168 0.000 0.831 479 D CB 2.115 42.826 40.800 -0.149 0.000 1.204 479 D HN 0.679 nan 8.370 nan 0.000 0.503 480 A N 3.109 125.827 122.820 -0.170 0.000 2.450 480 A HA 0.334 4.653 4.320 -0.001 0.000 0.255 480 A C 0.202 177.645 177.584 -0.235 0.000 1.096 480 A CA 0.164 52.094 52.037 -0.178 0.000 0.778 480 A CB 0.356 19.262 19.000 -0.156 0.000 1.031 480 A HN 0.430 nan 8.150 nan 0.000 0.494 481 K N 1.886 122.089 120.400 -0.327 0.000 2.501 481 K HA 0.396 4.715 4.320 -0.001 0.000 0.252 481 K C -0.637 175.911 176.600 -0.086 0.000 0.934 481 K CA -0.557 55.559 56.287 -0.286 0.000 0.797 481 K CB 2.219 34.464 32.500 -0.425 0.000 1.270 481 K HN 0.679 nan 8.250 nan 0.000 0.431 482 S N 0.952 116.681 115.700 0.049 0.000 2.573 482 S HA -0.016 4.453 4.470 -0.001 0.000 0.277 482 S C 0.339 175.126 174.600 0.311 0.000 1.346 482 S CA -0.200 58.114 58.200 0.191 0.000 1.034 482 S CB 1.030 64.302 63.200 0.121 0.000 0.879 482 S HN 0.600 nan 8.310 nan 0.000 0.528 483 S N 2.807 118.722 115.700 0.358 0.000 2.558 483 S HA 0.065 4.534 4.470 -0.001 0.000 0.291 483 S C -1.095 173.640 174.600 0.225 0.000 1.306 483 S CA -1.076 57.325 58.200 0.334 0.000 1.056 483 S CB 0.303 63.665 63.200 0.271 0.000 0.836 483 S HN 0.561 nan 8.310 nan 0.000 0.504 484 P HA -0.002 nan 4.420 nan 0.000 0.229 484 P C -0.316 176.917 177.300 -0.110 0.000 1.160 484 P CA 0.622 63.710 63.100 -0.020 0.000 0.777 484 P CB -0.088 31.530 31.700 -0.136 0.000 0.814 485 Y N 2.658 122.983 120.300 0.040 0.000 2.359 485 Y HA 0.196 4.745 4.550 -0.001 0.000 0.330 485 Y C -1.364 174.553 175.900 0.029 0.000 1.143 485 Y CA -2.346 55.768 58.100 0.023 0.000 1.318 485 Y CB -0.315 38.151 38.460 0.010 0.000 1.234 485 Y HN 0.024 nan 8.280 nan 0.000 0.522 486 P HA 0.032 nan 4.420 nan 0.000 0.274 486 P C -0.611 176.739 177.300 0.084 0.000 1.237 486 P CA -0.546 62.609 63.100 0.091 0.000 0.793 486 P CB 1.083 32.818 31.700 0.058 0.000 0.977 487 L N 1.491 122.749 121.223 0.058 0.000 2.615 487 L HA 0.173 4.512 4.340 -0.001 0.000 0.284 487 L C 1.440 178.309 176.870 -0.001 0.000 1.237 487 L CA 2.282 57.141 54.840 0.032 0.000 0.905 487 L CB -1.148 40.929 42.059 0.030 0.000 1.149 487 L HN 0.866 nan 8.230 nan 0.000 0.499 488 G N 2.179 110.950 108.800 -0.049 0.000 2.176 488 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.253 488 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.253 488 G C 0.288 175.155 174.900 -0.056 0.000 0.979 488 G CA 0.391 45.441 45.100 -0.082 0.000 0.641 488 G HN 1.218 nan 8.290 nan 0.000 0.530 489 S N 0.117 115.806 115.700 -0.018 0.000 2.617 489 S HA 0.626 5.095 4.470 -0.001 0.000 0.269 489 S C -0.772 173.797 174.600 -0.051 0.000 1.292 489 S CA -0.596 57.603 58.200 -0.001 0.000 1.010 489 S CB 2.159 65.408 63.200 0.082 0.000 0.944 489 S HN -0.022 nan 8.310 nan 0.000 0.536 490 P HA -0.094 nan 4.420 nan 0.000 0.217 490 P C 0.806 178.033 177.300 -0.123 0.000 1.148 490 P CA 1.244 64.292 63.100 -0.087 0.000 0.828 490 P CB -0.012 31.639 31.700 -0.083 0.000 0.783 491 E N -1.735 118.345 120.200 -0.201 0.000 2.285 491 E HA -0.053 4.296 4.350 -0.001 0.000 0.194 491 E C 0.824 177.342 176.600 -0.137 0.000 0.997 491 E CA 0.744 56.959 56.400 -0.308 0.000 0.845 491 E CB -0.362 28.828 29.700 -0.850 0.000 0.782 491 E HN 0.110 nan 8.360 nan 0.000 0.491 492 N N -0.492 118.183 118.700 -0.043 0.000 2.636 492 N HA 0.079 4.818 4.740 -0.001 0.000 0.287 492 N C 0.195 175.716 175.510 0.019 0.000 1.817 492 N CA -0.033 53.040 53.050 0.038 0.000 0.842 492 N CB 0.044 38.599 38.487 0.113 0.000 1.353 492 N HN -0.069 nan 8.380 nan 0.000 0.500 493 M N 0.290 119.870 119.600 -0.033 0.000 2.082 493 M HA -0.075 4.404 4.480 -0.001 0.000 0.258 493 M C 0.225 176.331 176.300 -0.323 0.000 1.069 493 M CA 2.048 57.219 55.300 -0.215 0.000 1.102 493 M CB -0.339 32.058 32.600 -0.338 0.000 1.336 493 M HN 0.368 nan 8.290 nan 0.000 0.404 494 Y N -0.769 119.546 120.300 0.024 0.000 2.468 494 Y HA 0.442 4.991 4.550 -0.002 0.000 0.268 494 Y C 1.509 177.436 175.900 0.044 0.000 1.177 494 Y CA 0.139 58.257 58.100 0.030 0.000 1.265 494 Y CB -0.270 38.205 38.460 0.025 0.000 1.103 494 Y HN 0.452 nan 8.280 nan 0.000 0.522 495 G N 1.295 110.184 108.800 0.148 0.000 2.153 495 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.252 495 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.252 495 G C 0.987 175.980 174.900 0.154 0.000 0.994 495 G CA 0.719 45.897 45.100 0.129 0.000 0.698 495 G HN 0.556 nan 8.290 nan 0.000 0.521 496 N N 0.130 118.935 118.700 0.176 0.000 2.325 496 N HA 0.392 5.131 4.740 -0.001 0.000 0.182 496 N C 1.076 176.722 175.510 0.227 0.000 1.088 496 N CA 0.768 53.933 53.050 0.191 0.000 0.879 496 N CB -0.023 38.558 38.487 0.157 0.000 0.983 496 N HN 1.026 nan 8.380 nan 0.000 0.471 497 A N 0.966 123.893 122.820 0.178 0.000 2.511 497 A HA 0.431 4.750 4.320 -0.001 0.000 0.242 497 A C -0.411 177.342 177.584 0.282 0.000 1.069 497 A CA -0.197 51.923 52.037 0.140 0.000 0.763 497 A CB -0.501 18.565 19.000 0.110 0.000 1.001 497 A HN 0.486 nan 8.150 nan 0.000 0.498 498 F N 0.544 120.584 119.950 0.149 0.000 2.668 498 F HA 0.762 5.288 4.527 -0.001 0.000 0.309 498 F C -1.053 174.886 175.800 0.231 0.000 1.117 498 F CA -1.475 56.632 58.000 0.178 0.000 0.951 498 F CB 0.900 39.938 39.000 0.064 0.000 1.323 498 F HN 0.789 nan 8.300 nan 0.000 0.451 499 Y N -0.643 119.815 120.300 0.263 0.000 2.728 499 Y HA 0.780 5.330 4.550 -0.001 0.000 0.330 499 Y C -1.424 174.579 175.900 0.172 0.000 1.234 499 Y CA -1.735 56.437 58.100 0.119 0.000 1.070 499 Y CB 1.021 39.508 38.460 0.045 0.000 1.300 499 Y HN 0.816 nan 8.280 nan 0.000 0.467 500 S N 0.850 116.599 115.700 0.082 0.000 2.438 500 S HA 0.261 4.730 4.470 -0.001 0.000 0.316 500 S C -0.932 173.668 174.600 0.000 0.000 1.084 500 S CA -0.603 57.569 58.200 -0.046 0.000 1.107 500 S CB 0.163 63.381 63.200 0.030 0.000 0.981 500 S HN 0.719 nan 8.310 nan 0.000 0.466 501 E N 4.238 124.343 120.200 -0.159 0.000 2.105 501 E HA 0.178 4.527 4.350 -0.001 0.000 0.285 501 E C -0.442 176.155 176.600 -0.004 0.000 1.055 501 E CA -0.349 56.066 56.400 0.024 0.000 0.843 501 E CB 0.448 30.133 29.700 -0.025 0.000 1.067 501 E HN 0.526 nan 8.360 nan 0.000 0.398 502 K N 3.677 124.087 120.400 0.016 0.000 2.234 502 K HA 0.203 4.522 4.320 -0.001 0.000 0.277 502 K C -1.167 175.424 176.600 -0.014 0.000 1.038 502 K CA -0.383 55.880 56.287 -0.040 0.000 0.888 502 K CB 1.140 33.584 32.500 -0.094 0.000 1.091 502 K HN 0.344 nan 8.250 nan 0.000 0.467 503 T N 3.549 118.091 114.554 -0.019 0.000 2.853 503 T HA 0.135 4.485 4.350 -0.001 0.000 0.317 503 T C -0.499 174.171 174.700 -0.049 0.000 1.059 503 T CA -0.430 61.690 62.100 0.033 0.000 0.954 503 T CB 0.994 69.936 68.868 0.123 0.000 0.994 503 T HN 0.496 nan 8.240 nan 0.000 0.479 504 T N 4.521 119.086 114.554 0.018 0.000 2.851 504 T HA 0.277 4.626 4.350 -0.001 0.000 0.298 504 T C 0.108 174.899 174.700 0.152 0.000 0.977 504 T CA -0.237 61.891 62.100 0.046 0.000 1.126 504 T CB -0.107 68.879 68.868 0.196 0.000 0.916 504 T HN 0.258 nan 8.240 nan 0.000 0.529 505 F N 3.731 123.810 119.950 0.216 0.000 2.472 505 F HA 0.299 4.825 4.527 -0.001 0.000 0.364 505 F C 1.499 177.371 175.800 0.120 0.000 1.090 505 F CA -1.089 57.005 58.000 0.156 0.000 1.188 505 F CB 0.515 39.609 39.000 0.157 0.000 1.105 505 F HN 0.405 nan 8.300 nan 0.000 0.536 506 K N 0.923 121.490 120.400 0.279 0.000 2.099 506 K HA 0.060 4.379 4.320 -0.001 0.000 0.203 506 K C 0.879 177.563 176.600 0.140 0.000 1.047 506 K CA 0.873 57.265 56.287 0.175 0.000 0.963 506 K CB -0.259 32.321 32.500 0.133 0.000 0.759 506 K HN 0.682 nan 8.250 nan 0.000 0.451 507 T N -2.646 111.982 114.554 0.123 0.000 2.930 507 T HA 0.359 4.708 4.350 -0.001 0.000 0.290 507 T C 1.463 176.189 174.700 0.044 0.000 1.052 507 T CA -0.785 61.360 62.100 0.076 0.000 1.017 507 T CB 1.750 70.649 68.868 0.051 0.000 1.137 507 T HN -0.222 nan 8.240 nan 0.000 0.511 508 V N 1.394 121.320 119.914 0.020 0.000 2.278 508 V HA -0.227 3.892 4.120 -0.001 0.000 0.251 508 V C 2.871 178.906 176.094 -0.098 0.000 1.062 508 V CA 2.541 64.826 62.300 -0.025 0.000 1.038 508 V CB -0.934 30.887 31.823 -0.002 0.000 0.646 508 V HN 1.053 nan 8.190 nan 0.000 0.447 509 K N -0.206 120.152 120.400 -0.070 0.000 2.074 509 K HA -0.266 4.053 4.320 -0.001 0.000 0.209 509 K C 1.821 178.337 176.600 -0.141 0.000 1.048 509 K CA 2.059 58.287 56.287 -0.097 0.000 0.926 509 K CB -0.299 32.176 32.500 -0.043 0.000 0.713 509 K HN 0.525 nan 8.250 nan 0.000 0.444 510 D N -0.066 120.275 120.400 -0.098 0.000 2.182 510 D HA -0.138 4.501 4.640 -0.001 0.000 0.201 510 D C 1.895 177.907 176.300 -0.481 0.000 0.986 510 D CA 1.627 55.572 54.000 -0.091 0.000 0.847 510 D CB -0.147 40.730 40.800 0.128 0.000 0.942 510 D HN 0.380 nan 8.370 nan 0.000 0.467 511 S N -0.061 115.174 115.700 -0.775 0.000 2.489 511 S HA -0.012 4.457 4.470 -0.001 0.000 0.228 511 S C 1.207 175.326 174.600 -0.801 0.000 0.995 511 S CA -0.145 57.128 58.200 -1.545 0.000 0.934 511 S CB -0.410 62.264 63.200 -0.876 0.000 0.771 511 S HN 0.157 nan 8.310 nan 0.000 0.522 512 L N 3.784 124.695 121.223 -0.520 0.000 2.536 512 L HA 0.301 4.640 4.340 -0.001 0.000 0.282 512 L C 0.142 176.853 176.870 -0.264 0.000 1.174 512 L CA -0.211 54.299 54.840 -0.550 0.000 0.989 512 L CB -0.767 40.791 42.059 -0.836 0.000 1.311 512 L HN 0.371 nan 8.230 nan 0.000 0.455 513 T N -1.234 113.331 114.554 0.017 0.000 2.903 513 T HA 0.519 4.868 4.350 -0.001 0.000 0.299 513 T C -0.411 174.579 174.700 0.483 0.000 1.093 513 T CA -1.095 61.191 62.100 0.309 0.000 1.002 513 T CB 2.363 71.531 68.868 0.499 0.000 1.127 513 T HN 0.181 nan 8.240 nan 0.000 0.488 514 N N 0.271 119.262 118.700 0.485 0.000 2.404 514 N HA 0.347 5.086 4.740 -0.001 0.000 0.297 514 N C -1.143 174.747 175.510 0.634 0.000 1.163 514 N CA -0.668 52.685 53.050 0.504 0.000 0.864 514 N CB 1.175 39.843 38.487 0.302 0.000 1.247 514 N HN 0.765 nan 8.380 nan 0.000 0.510 515 Y N 1.080 121.751 120.300 0.619 0.000 2.712 515 Y HA -0.023 4.526 4.550 -0.002 0.000 0.333 515 Y C -0.171 175.858 175.900 0.215 0.000 1.225 515 Y CA 0.609 58.992 58.100 0.472 0.000 1.499 515 Y CB 0.452 39.208 38.460 0.493 0.000 1.288 515 Y HN 0.298 nan 8.280 nan 0.000 0.575 516 E N 3.924 123.614 120.200 -0.849 0.000 2.220 516 E HA 0.130 4.479 4.350 -0.001 0.000 0.256 516 E C 0.505 176.579 176.600 -0.876 0.000 0.881 516 E CA 0.040 56.061 56.400 -0.632 0.000 0.766 516 E CB 1.603 31.123 29.700 -0.299 0.000 1.187 516 E HN 0.809 nan 8.360 nan 0.000 0.419 517 S N 1.829 117.190 115.700 -0.566 0.000 2.399 517 S HA -0.189 4.280 4.470 -0.001 0.000 0.231 517 S C 1.851 176.347 174.600 -0.172 0.000 1.022 517 S CA 1.052 59.105 58.200 -0.246 0.000 0.983 517 S CB -0.110 63.087 63.200 -0.005 0.000 0.803 517 S HN 0.492 nan 8.310 nan 0.000 0.480 518 A N 1.712 124.433 122.820 -0.166 0.000 2.070 518 A HA 0.022 4.341 4.320 -0.001 0.000 0.220 518 A C 2.250 179.753 177.584 -0.135 0.000 1.159 518 A CA 1.718 53.685 52.037 -0.117 0.000 0.656 518 A CB -0.882 18.064 19.000 -0.090 0.000 0.800 518 A HN 0.802 nan 8.150 nan 0.000 0.453 519 T N -5.643 108.802 114.554 -0.183 0.000 3.058 519 T HA 0.429 4.778 4.350 -0.001 0.000 0.278 519 T C 1.068 175.666 174.700 -0.170 0.000 0.974 519 T CA 0.887 62.882 62.100 -0.176 0.000 0.893 519 T CB -0.039 68.721 68.868 -0.179 0.000 1.138 519 T HN 1.624 nan 8.240 nan 0.000 0.529 520 G N 2.809 111.512 108.800 -0.161 0.000 2.366 520 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.299 520 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.299 520 G C 0.001 174.882 174.900 -0.032 0.000 1.020 520 G CA 0.283 45.360 45.100 -0.039 0.000 1.026 520 G HN 0.924 nan 8.290 nan 0.000 0.512 521 R N 0.107 120.485 120.500 -0.204 0.000 2.538 521 R HA 0.371 4.710 4.340 -0.001 0.000 0.282 521 R C 0.932 177.099 176.300 -0.222 0.000 1.009 521 R CA 0.785 56.701 56.100 -0.307 0.000 1.063 521 R CB 0.255 30.233 30.300 -0.535 0.000 0.945 521 R HN 0.623 nan 8.270 nan 0.000 0.414 522 S N 3.951 119.466 115.700 -0.309 0.000 2.715 522 S HA 0.601 5.070 4.470 -0.001 0.000 0.307 522 S C -1.097 173.341 174.600 -0.270 0.000 1.119 522 S CA -0.993 57.111 58.200 -0.160 0.000 0.937 522 S CB 1.391 64.603 63.200 0.021 0.000 1.150 522 S HN 0.631 nan 8.310 nan 0.000 0.521 523 W N 0.650 122.055 121.300 0.176 0.000 2.785 523 W HA 0.390 5.049 4.660 -0.002 0.000 0.333 523 W C -1.391 175.218 176.519 0.151 0.000 1.062 523 W CA -0.497 56.983 57.345 0.225 0.000 1.233 523 W CB 2.068 31.794 29.460 0.443 0.000 1.413 523 W HN 0.623 nan 8.180 nan 0.000 0.489 524 D N 2.462 123.074 120.400 0.353 0.000 2.168 524 D HA 0.482 5.122 4.640 -0.001 0.000 0.246 524 D C -0.241 176.300 176.300 0.401 0.000 1.050 524 D CA -0.266 53.917 54.000 0.304 0.000 0.857 524 D CB 2.055 42.982 40.800 0.212 0.000 1.169 524 D HN 0.099 nan 8.370 nan 0.000 0.453 525 I N 3.103 123.856 120.570 0.305 0.000 2.362 525 I HA 0.413 4.582 4.170 -0.001 0.000 0.289 525 I C -0.479 175.849 176.117 0.351 0.000 0.994 525 I CA -0.899 60.556 61.300 0.259 0.000 1.158 525 I CB 0.380 38.428 38.000 0.081 0.000 1.315 525 I HN 0.224 nan 8.210 nan 0.000 0.451 526 F N 3.428 123.459 119.950 0.134 0.000 2.664 526 F HA 0.538 5.064 4.527 -0.002 0.000 0.317 526 F C -1.062 174.797 175.800 0.099 0.000 1.108 526 F CA -1.316 56.756 58.000 0.121 0.000 0.957 526 F CB 1.557 40.609 39.000 0.087 0.000 1.365 526 F HN 0.302 nan 8.300 nan 0.000 0.475 527 N N 2.089 120.926 118.700 0.229 0.000 2.558 527 N HA 0.411 5.150 4.740 -0.001 0.000 0.242 527 N C -2.148 173.473 175.510 0.185 0.000 0.979 527 N CA -2.152 50.951 53.050 0.089 0.000 0.931 527 N CB 1.579 40.115 38.487 0.081 0.000 1.122 527 N HN 0.400 nan 8.380 nan 0.000 0.508 528 P HA -0.020 nan 4.420 nan 0.000 0.242 528 P C -0.171 177.194 177.300 0.109 0.000 1.197 528 P CA 0.679 63.913 63.100 0.223 0.000 0.765 528 P CB 0.302 32.107 31.700 0.175 0.000 0.936 529 N N -0.014 118.722 118.700 0.061 0.000 2.353 529 N HA 0.055 4.794 4.740 -0.001 0.000 0.185 529 N C 0.536 176.058 175.510 0.019 0.000 1.098 529 N CA 0.516 53.584 53.050 0.031 0.000 0.872 529 N CB 0.526 39.020 38.487 0.012 0.000 0.970 529 N HN 0.353 nan 8.380 nan 0.000 0.467 530 K N 0.323 120.739 120.400 0.026 0.000 2.400 530 K HA 0.628 4.947 4.320 -0.001 0.000 0.246 530 K C -1.017 175.583 176.600 -0.001 0.000 0.995 530 K CA -0.709 55.575 56.287 -0.005 0.000 0.840 530 K CB 3.093 35.570 32.500 -0.039 0.000 1.293 530 K HN -0.322 nan 8.250 nan 0.000 0.445 531 V N 1.370 121.268 119.914 -0.028 0.000 2.686 531 V HA 0.188 4.307 4.120 -0.001 0.000 0.306 531 V C -0.604 175.461 176.094 -0.048 0.000 1.065 531 V CA -1.146 61.138 62.300 -0.028 0.000 0.894 531 V CB 1.804 33.615 31.823 -0.020 0.000 1.004 531 V HN 0.753 nan 8.190 nan 0.000 0.424 532 N N 6.514 125.193 118.700 -0.034 0.000 2.452 532 N HA 0.126 4.865 4.740 -0.001 0.000 0.266 532 N C -1.449 174.044 175.510 -0.029 0.000 1.209 532 N CA -1.110 51.919 53.050 -0.035 0.000 0.929 532 N CB 2.002 40.520 38.487 0.051 0.000 1.063 532 N HN 0.377 nan 8.380 nan 0.000 0.472 533 P HA -0.106 nan 4.420 nan 0.000 0.222 533 P C 0.528 177.881 177.300 0.087 0.000 1.147 533 P CA 1.171 64.232 63.100 -0.065 0.000 0.790 533 P CB 0.161 31.757 31.700 -0.173 0.000 0.780 534 Y N 1.133 121.441 120.300 0.013 0.000 2.190 534 Y HA -0.025 4.524 4.550 -0.002 0.000 0.290 534 Y C 2.912 178.829 175.900 0.027 0.000 1.115 534 Y CA 1.020 59.130 58.100 0.016 0.000 1.107 534 Y CB -1.456 37.014 38.460 0.018 0.000 1.033 534 Y HN 0.047 nan 8.280 nan 0.000 0.502 535 S N -1.067 114.773 115.700 0.233 0.000 2.461 535 S HA 0.164 4.633 4.470 -0.001 0.000 0.228 535 S C 1.922 176.563 174.600 0.070 0.000 1.005 535 S CA 0.778 59.081 58.200 0.172 0.000 0.942 535 S CB -0.427 62.969 63.200 0.327 0.000 0.776 535 S HN 0.671 nan 8.310 nan 0.000 0.514 536 G N 0.986 109.814 108.800 0.047 0.000 2.159 536 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.256 536 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.256 536 G C -0.020 174.845 174.900 -0.058 0.000 0.977 536 G CA 0.375 45.473 45.100 -0.003 0.000 0.652 536 G HN 0.522 nan 8.290 nan 0.000 0.531 537 K N 0.860 121.194 120.400 -0.109 0.000 2.095 537 K HA 0.539 4.858 4.320 -0.001 0.000 0.252 537 K C -2.352 174.165 176.600 -0.139 0.000 0.977 537 K CA -2.202 53.942 56.287 -0.238 0.000 0.900 537 K CB 1.560 33.674 32.500 -0.642 0.000 1.060 537 K HN 0.120 nan 8.250 nan 0.000 0.449 538 P HA 0.128 nan 4.420 nan 0.000 0.271 538 P C -2.491 174.848 177.300 0.065 0.000 1.218 538 P CA -1.279 61.829 63.100 0.013 0.000 0.780 538 P CB -0.344 31.436 31.700 0.134 0.000 0.901 539 P HA 0.042 nan 4.420 nan 0.000 0.268 539 P C -0.273 177.206 177.300 0.298 0.000 1.205 539 P CA 0.406 63.581 63.100 0.125 0.000 0.771 539 P CB 0.486 32.128 31.700 -0.096 0.000 0.858 540 S N 1.960 117.876 115.700 0.360 0.000 2.579 540 S HA 0.568 5.037 4.470 -0.001 0.000 0.272 540 S C -1.646 173.131 174.600 0.294 0.000 1.141 540 S CA -0.680 57.736 58.200 0.360 0.000 0.843 540 S CB 1.039 64.400 63.200 0.270 0.000 1.122 540 S HN 0.237 nan 8.310 nan 0.000 0.468 541 Y N 1.207 121.570 120.300 0.105 0.000 2.335 541 Y HA 0.566 5.115 4.550 -0.002 0.000 0.338 541 Y C 0.298 176.245 175.900 0.078 0.000 0.977 541 Y CA -0.551 57.566 58.100 0.029 0.000 1.114 541 Y CB 1.791 40.232 38.460 -0.032 0.000 1.182 541 Y HN 0.811 nan 8.280 nan 0.000 0.463 542 K N 4.417 124.870 120.400 0.089 0.000 2.240 542 K HA 0.399 4.718 4.320 -0.001 0.000 0.271 542 K C -1.267 175.393 176.600 0.100 0.000 1.018 542 K CA -0.909 55.441 56.287 0.106 0.000 0.874 542 K CB 0.754 33.294 32.500 0.067 0.000 1.098 542 K HN 0.627 nan 8.250 nan 0.000 0.458 543 L N 5.949 127.244 121.223 0.120 0.000 2.385 543 L HA 0.182 4.521 4.340 -0.001 0.000 0.281 543 L C -1.253 175.714 176.870 0.162 0.000 1.106 543 L CA 0.119 55.009 54.840 0.083 0.000 0.856 543 L CB 0.916 42.984 42.059 0.015 0.000 1.186 543 L HN 0.353 nan 8.230 nan 0.000 0.453 544 V N 5.024 124.984 119.914 0.076 0.000 2.313 544 V HA 0.587 4.706 4.120 -0.001 0.000 0.278 544 V C -0.008 176.104 176.094 0.030 0.000 1.017 544 V CA -0.240 62.103 62.300 0.071 0.000 0.823 544 V CB 0.927 32.770 31.823 0.033 0.000 1.010 544 V HN 0.835 nan 8.190 nan 0.000 0.443 545 S N 2.888 118.626 115.700 0.063 0.000 2.652 545 S HA 0.437 4.906 4.470 -0.001 0.000 0.273 545 S C 0.421 174.948 174.600 -0.122 0.000 1.172 545 S CA 0.205 58.428 58.200 0.038 0.000 1.009 545 S CB 1.725 65.025 63.200 0.167 0.000 1.094 545 S HN 0.936 nan 8.310 nan 0.000 0.471 546 T N 1.351 115.765 114.554 -0.234 0.000 2.975 546 T HA 0.295 4.644 4.350 -0.001 0.000 0.261 546 T C 0.375 174.944 174.700 -0.218 0.000 0.984 546 T CA -0.073 61.688 62.100 -0.565 0.000 0.911 546 T CB -0.098 68.535 68.868 -0.391 0.000 1.127 546 T HN 0.556 nan 8.240 nan 0.000 0.514 547 Q N 1.076 120.866 119.800 -0.018 0.000 3.026 547 Q HA 0.353 4.692 4.340 -0.001 0.000 0.258 547 Q C -0.931 175.182 176.000 0.188 0.000 1.388 547 Q CA -0.453 55.408 55.803 0.097 0.000 1.000 547 Q CB -0.348 28.466 28.738 0.126 0.000 1.634 547 Q HN 0.454 nan 8.270 nan 0.000 0.571 548 C N 2.889 122.294 119.300 0.174 0.000 3.003 548 C HA 0.350 4.809 4.460 -0.001 0.000 0.241 548 C C -2.165 172.964 174.990 0.230 0.000 1.224 548 C CA -1.822 57.343 59.018 0.246 0.000 1.560 548 C CB -0.387 27.573 27.740 0.365 0.000 1.768 548 C HN 0.545 nan 8.230 nan 0.000 0.440 549 P HA 0.255 nan 4.420 nan 0.000 0.275 549 P C -2.165 175.195 177.300 0.099 0.000 1.228 549 P CA -0.677 62.498 63.100 0.125 0.000 0.786 549 P CB 0.132 31.880 31.700 0.079 0.000 0.927 550 P HA 0.065 nan 4.420 nan 0.000 0.272 550 P C -0.613 176.678 177.300 -0.015 0.000 1.223 550 P CA -0.338 62.784 63.100 0.037 0.000 0.784 550 P CB 0.548 32.271 31.700 0.039 0.000 0.923 551 L N 2.881 124.062 121.223 -0.071 0.000 2.433 551 L HA 0.049 4.388 4.340 -0.001 0.000 0.275 551 L C 1.186 178.001 176.870 -0.091 0.000 1.128 551 L CA 0.372 55.142 54.840 -0.115 0.000 0.875 551 L CB -0.473 41.473 42.059 -0.189 0.000 1.171 551 L HN 0.327 nan 8.230 nan 0.000 0.463 552 L N 4.787 125.965 121.223 -0.076 0.000 2.179 552 L HA 0.156 4.495 4.340 -0.001 0.000 0.208 552 L C 1.407 178.237 176.870 -0.067 0.000 1.096 552 L CA 0.455 55.268 54.840 -0.044 0.000 0.779 552 L CB -0.487 41.565 42.059 -0.011 0.000 0.922 552 L HN 0.825 nan 8.230 nan 0.000 0.443 553 A N 0.879 123.635 122.820 -0.106 0.000 2.498 553 A HA 0.120 4.439 4.320 -0.001 0.000 0.239 553 A C 0.252 177.758 177.584 -0.129 0.000 1.068 553 A CA 0.029 51.989 52.037 -0.128 0.000 0.766 553 A CB 0.044 18.942 19.000 -0.170 0.000 1.003 553 A HN 0.172 nan 8.150 nan 0.000 0.497 554 K N 1.319 121.648 120.400 -0.119 0.000 2.168 554 K HA 0.166 4.485 4.320 -0.001 0.000 0.258 554 K C -0.058 176.467 176.600 -0.125 0.000 1.010 554 K CA -0.186 56.038 56.287 -0.105 0.000 0.929 554 K CB 0.529 32.978 32.500 -0.085 0.000 0.998 554 K HN 0.782 nan 8.250 nan 0.000 0.479 555 E N 0.047 120.181 120.200 -0.110 0.000 2.502 555 E HA -0.064 4.285 4.350 -0.001 0.000 0.261 555 E C 0.832 177.362 176.600 -0.117 0.000 0.974 555 E CA 0.754 57.085 56.400 -0.115 0.000 0.936 555 E CB 0.177 29.824 29.700 -0.089 0.000 0.926 555 E HN 0.854 nan 8.360 nan 0.000 0.459 556 G N 2.611 111.329 108.800 -0.137 0.000 2.179 556 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.260 556 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.260 556 G C 0.413 175.216 174.900 -0.161 0.000 0.977 556 G CA 0.406 45.422 45.100 -0.140 0.000 0.641 556 G HN 0.714 nan 8.290 nan 0.000 0.533 557 S N -0.185 115.411 115.700 -0.174 0.000 2.584 557 S HA 0.573 5.042 4.470 -0.001 0.000 0.270 557 S C 1.645 176.093 174.600 -0.254 0.000 1.346 557 S CA 0.021 58.105 58.200 -0.193 0.000 1.018 557 S CB 1.483 64.567 63.200 -0.193 0.000 0.899 557 S HN 0.508 nan 8.310 nan 0.000 0.542 558 L N 1.536 122.602 121.223 -0.262 0.000 2.021 558 L HA -0.157 4.182 4.340 -0.001 0.000 0.215 558 L C 2.572 179.168 176.870 -0.456 0.000 1.074 558 L CA 1.655 56.291 54.840 -0.340 0.000 0.760 558 L CB -0.633 41.255 42.059 -0.284 0.000 0.889 558 L HN 0.715 nan 8.230 nan 0.000 0.433 559 V N -0.293 119.323 119.914 -0.496 0.000 2.261 559 V HA -0.325 3.794 4.120 -0.001 0.000 0.246 559 V C 2.676 178.544 176.094 -0.376 0.000 1.047 559 V CA 1.909 63.924 62.300 -0.474 0.000 1.015 559 V CB -0.949 30.650 31.823 -0.374 0.000 0.642 559 V HN 0.560 nan 8.190 nan 0.000 0.446 560 A N -0.492 122.130 122.820 -0.331 0.000 1.933 560 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 560 A C 2.278 179.668 177.584 -0.324 0.000 1.175 560 A CA 1.995 53.844 52.037 -0.313 0.000 0.628 560 A CB -0.407 18.444 19.000 -0.249 0.000 0.814 560 A HN 0.577 nan 8.150 nan 0.000 0.444 561 K N -0.767 119.423 120.400 -0.350 0.000 2.103 561 K HA -0.023 4.296 4.320 -0.001 0.000 0.204 561 K C 2.139 178.423 176.600 -0.528 0.000 1.052 561 K CA 1.189 57.230 56.287 -0.410 0.000 0.945 561 K CB -0.112 32.113 32.500 -0.459 0.000 0.722 561 K HN 0.362 nan 8.250 nan 0.000 0.443 562 R N 0.019 120.220 120.500 -0.498 0.000 2.236 562 R HA 0.090 4.429 4.340 -0.001 0.000 0.208 562 R C 0.422 176.671 176.300 -0.086 0.000 1.036 562 R CA 0.583 56.447 56.100 -0.393 0.000 1.001 562 R CB 0.399 30.571 30.300 -0.214 0.000 0.896 562 R HN -0.002 nan 8.270 nan 0.000 0.464 563 A N 1.477 124.131 122.820 -0.277 0.000 3.204 563 A HA 0.293 4.612 4.320 -0.001 0.000 0.327 563 A C -2.019 175.149 177.584 -0.694 0.000 0.998 563 A CA -1.240 50.458 52.037 -0.566 0.000 0.891 563 A CB 0.548 19.034 19.000 -0.856 0.000 1.061 563 A HN -0.073 nan 8.150 nan 0.000 0.478 564 P HA -0.172 nan 4.420 nan 0.000 0.219 564 P C 1.459 178.665 177.300 -0.158 0.000 1.146 564 P CA 1.102 64.084 63.100 -0.198 0.000 0.808 564 P CB -0.223 31.439 31.700 -0.064 0.000 0.779 565 W N 0.329 121.579 121.300 -0.083 0.000 2.425 565 W HA 0.170 4.829 4.660 -0.001 0.000 0.277 565 W C 1.551 178.063 176.519 -0.012 0.000 1.231 565 W CA 0.695 58.005 57.345 -0.058 0.000 1.248 565 W CB -1.773 27.635 29.460 -0.086 0.000 1.117 565 W HN -0.081 nan 8.180 nan 0.000 0.568 566 A N 0.914 123.328 122.820 -0.676 0.000 2.167 566 A HA -0.006 4.313 4.320 -0.001 0.000 0.214 566 A C 2.087 179.500 177.584 -0.285 0.000 1.151 566 A CA 1.314 52.985 52.037 -0.611 0.000 0.735 566 A CB -0.711 17.604 19.000 -1.141 0.000 0.802 566 A HN 0.210 nan 8.150 nan 0.000 0.467 567 S N -0.710 114.832 115.700 -0.263 0.000 2.481 567 S HA 0.032 4.502 4.470 -0.001 0.000 0.231 567 S C 0.139 174.469 174.600 -0.450 0.000 0.996 567 S CA 0.495 58.501 58.200 -0.323 0.000 0.942 567 S CB -0.225 62.770 63.200 -0.342 0.000 0.768 567 S HN 0.780 nan 8.310 nan 0.000 0.520 568 H N -1.191 117.878 119.070 -0.001 0.000 2.690 568 H HA 0.407 4.962 4.556 -0.001 0.000 0.368 568 H C 0.715 176.096 175.328 0.089 0.000 1.150 568 H CA -0.506 55.573 56.048 0.051 0.000 1.174 568 H CB 1.466 31.244 29.762 0.026 0.000 1.684 568 H HN -0.119 nan 8.280 nan 0.000 0.538 569 S N 0.708 116.562 115.700 0.257 0.000 2.402 569 S HA 0.008 4.477 4.470 -0.001 0.000 0.229 569 S C 0.476 175.134 174.600 0.095 0.000 1.021 569 S CA 0.613 58.939 58.200 0.210 0.000 0.974 569 S CB 0.290 63.715 63.200 0.374 0.000 0.800 569 S HN 0.253 nan 8.310 nan 0.000 0.484 570 V N 2.511 122.417 119.914 -0.013 0.000 2.709 570 V HA 0.426 4.545 4.120 -0.001 0.000 0.308 570 V C -1.096 174.870 176.094 -0.214 0.000 1.062 570 V CA -0.952 61.167 62.300 -0.300 0.000 0.901 570 V CB 2.077 33.447 31.823 -0.755 0.000 1.003 570 V HN 0.252 nan 8.190 nan 0.000 0.425 571 N N 3.097 121.664 118.700 -0.221 0.000 2.430 571 N HA 0.561 5.301 4.740 -0.001 0.000 0.290 571 N C -1.474 173.963 175.510 -0.121 0.000 1.063 571 N CA -0.304 52.670 53.050 -0.126 0.000 0.883 571 N CB 2.749 41.259 38.487 0.039 0.000 1.465 571 N HN 0.338 nan 8.380 nan 0.000 0.493 572 V N 2.008 121.840 119.914 -0.137 0.000 2.448 572 V HA 0.554 4.673 4.120 -0.001 0.000 0.295 572 V C 0.216 176.355 176.094 0.076 0.000 1.025 572 V CA -0.758 61.542 62.300 0.001 0.000 0.859 572 V CB 1.678 33.528 31.823 0.045 0.000 0.988 572 V HN 0.483 nan 8.190 nan 0.000 0.431 573 V N 3.083 123.088 119.914 0.152 0.000 3.102 573 V HA 0.780 4.900 4.120 -0.001 0.000 0.312 573 V C -2.946 173.207 176.094 0.099 0.000 1.135 573 V CA -3.062 59.313 62.300 0.126 0.000 1.022 573 V CB 2.165 34.093 31.823 0.174 0.000 1.056 573 V HN 0.620 nan 8.190 nan 0.000 0.436 574 P HA 0.144 nan 4.420 nan 0.000 0.269 574 P C -1.083 176.212 177.300 -0.008 0.000 1.209 574 P CA 0.243 63.370 63.100 0.046 0.000 0.776 574 P CB 0.001 31.716 31.700 0.025 0.000 0.876 575 Y N 3.613 123.878 120.300 -0.059 0.000 2.526 575 Y HA 0.128 4.677 4.550 -0.001 0.000 0.330 575 Y C 0.329 176.152 175.900 -0.129 0.000 1.156 575 Y CA 0.848 58.883 58.100 -0.108 0.000 1.419 575 Y CB 0.326 38.736 38.460 -0.084 0.000 1.250 575 Y HN 0.243 nan 8.280 nan 0.000 0.540 576 K N 4.466 124.225 120.400 -1.069 0.000 2.482 576 K HA 0.224 4.543 4.320 -0.001 0.000 0.257 576 K C -1.366 174.504 176.600 -1.216 0.000 0.969 576 K CA -1.166 54.605 56.287 -0.860 0.000 0.842 576 K CB 1.467 33.702 32.500 -0.442 0.000 1.359 576 K HN 0.627 nan 8.250 nan 0.000 0.441 577 D N 1.406 121.453 120.400 -0.589 0.000 2.423 577 D HA -0.044 4.595 4.640 -0.001 0.000 0.238 577 D C 0.494 176.590 176.300 -0.339 0.000 1.142 577 D CA 0.898 54.704 54.000 -0.323 0.000 0.884 577 D CB 0.439 41.201 40.800 -0.062 0.000 1.199 577 D HN 0.595 nan 8.370 nan 0.000 0.438 578 N N 0.675 119.208 118.700 -0.277 0.000 2.747 578 N HA -0.233 4.506 4.740 -0.001 0.000 0.249 578 N C -0.793 174.515 175.510 -0.337 0.000 1.107 578 N CA 0.457 53.343 53.050 -0.273 0.000 0.707 578 N CB -0.679 37.686 38.487 -0.203 0.000 1.054 578 N HN 0.337 nan 8.380 nan 0.000 0.555 579 R N 0.579 120.767 120.500 -0.519 0.000 3.570 579 R HA 0.258 4.597 4.340 -0.001 0.000 0.233 579 R C 0.987 176.947 176.300 -0.566 0.000 1.492 579 R CA -0.239 55.387 56.100 -0.791 0.000 1.504 579 R CB 0.178 29.645 30.300 -1.388 0.000 1.314 579 R HN 0.336 nan 8.270 nan 0.000 0.687 580 L N 0.288 121.278 121.223 -0.389 0.000 2.269 580 L HA 0.158 4.497 4.340 -0.001 0.000 0.200 580 L C -0.079 176.655 176.870 -0.226 0.000 1.069 580 L CA 0.662 55.181 54.840 -0.536 0.000 0.804 580 L CB 0.163 41.439 42.059 -1.305 0.000 0.987 580 L HN 0.313 nan 8.230 nan 0.000 0.468 581 Y N 0.785 121.247 120.300 0.271 0.000 2.402 581 Y HA 0.290 4.839 4.550 -0.002 0.000 0.332 581 Y C -1.671 174.249 175.900 0.033 0.000 0.960 581 Y CA -3.373 54.795 58.100 0.112 0.000 1.228 581 Y CB 0.110 38.545 38.460 -0.041 0.000 1.120 581 Y HN -0.059 nan 8.280 nan 0.000 0.491 582 P HA -0.021 nan 4.420 nan 0.000 0.237 582 P C 0.545 177.737 177.300 -0.180 0.000 1.178 582 P CA 0.799 63.647 63.100 -0.419 0.000 0.766 582 P CB 0.559 31.939 31.700 -0.533 0.000 0.876 583 S N -0.718 114.994 115.700 0.020 0.000 2.582 583 S HA 0.481 4.950 4.470 -0.001 0.000 0.234 583 S C 0.845 175.379 174.600 -0.110 0.000 0.961 583 S CA 0.302 58.600 58.200 0.164 0.000 0.953 583 S CB -0.183 63.249 63.200 0.387 0.000 0.800 583 S HN 0.484 nan 8.310 nan 0.000 0.471 584 G N 1.420 110.077 108.800 -0.238 0.000 2.662 584 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.686 584 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.686 584 G C -0.405 174.404 174.900 -0.152 0.000 1.271 584 G CA -0.460 44.450 45.100 -0.317 0.000 0.816 584 G HN 0.193 nan 8.290 nan 0.000 0.608 585 D N -0.015 120.280 120.400 -0.175 0.000 2.183 585 D HA 0.040 4.679 4.640 -0.001 0.000 0.203 585 D C 0.840 176.835 176.300 -0.508 0.000 0.969 585 D CA 1.451 55.295 54.000 -0.260 0.000 0.842 585 D CB 0.012 40.629 40.800 -0.304 0.000 0.957 585 D HN 0.494 nan 8.370 nan 0.000 0.484 586 H N 0.070 119.115 119.070 -0.043 0.000 2.887 586 H HA 0.251 4.806 4.556 -0.002 0.000 0.300 586 H C 0.807 176.121 175.328 -0.024 0.000 1.038 586 H CA -0.299 55.738 56.048 -0.018 0.000 1.352 586 H CB 1.668 31.428 29.762 -0.003 0.000 1.473 586 H HN -0.212 nan 8.280 nan 0.000 0.503 587 V N 3.876 123.833 119.914 0.073 0.000 2.426 587 V HA 0.000 4.120 4.120 -0.001 0.000 0.242 587 V C -1.648 174.547 176.094 0.169 0.000 1.036 587 V CA 0.451 62.817 62.300 0.109 0.000 1.044 587 V CB -0.854 30.999 31.823 0.050 0.000 0.688 587 V HN 0.451 nan 8.190 nan 0.000 0.462 588 P HA 0.038 nan 4.420 nan 0.000 0.262 588 P C 0.263 177.676 177.300 0.189 0.000 1.182 588 P CA 0.872 64.034 63.100 0.103 0.000 0.761 588 P CB 0.123 31.850 31.700 0.046 0.000 0.795 589 Q N -1.466 118.479 119.800 0.240 0.000 2.324 589 Q HA -0.234 4.105 4.340 -0.001 0.000 0.200 589 Q C -0.219 176.044 176.000 0.438 0.000 0.645 589 Q CA 0.552 56.564 55.803 0.348 0.000 1.377 589 Q CB -1.876 27.009 28.738 0.245 0.000 1.486 589 Q HN 0.524 nan 8.270 nan 0.000 0.796 590 W N 2.317 123.692 121.300 0.124 0.000 2.308 590 W HA 0.225 4.885 4.660 -0.001 0.000 0.324 590 W C 1.272 177.682 176.519 -0.182 0.000 1.387 590 W CA 0.287 57.641 57.345 0.014 0.000 1.250 590 W CB 0.485 29.939 29.460 -0.010 0.000 1.257 590 W HN 0.158 nan 8.180 nan 0.000 0.554 591 S N 3.618 118.900 115.700 -0.696 0.000 2.481 591 S HA 0.080 4.549 4.470 -0.001 0.000 0.231 591 S C 1.618 175.421 174.600 -1.329 0.000 0.996 591 S CA 0.817 58.163 58.200 -1.424 0.000 0.942 591 S CB -0.419 62.202 63.200 -0.966 0.000 0.768 591 S HN 1.698 nan 8.310 nan 0.000 0.520 592 G N 0.698 108.227 108.800 -2.118 0.000 2.175 592 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.244 592 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.244 592 G C -0.465 173.771 174.900 -1.106 0.000 0.982 592 G CA 0.097 43.953 45.100 -2.073 0.000 0.641 592 G HN 0.575 nan 8.290 nan 0.000 0.527 593 D N 1.139 121.136 120.400 -0.672 0.000 2.225 593 D HA 0.556 5.195 4.640 -0.001 0.000 0.248 593 D C 0.725 177.163 176.300 0.230 0.000 1.096 593 D CA 1.414 55.323 54.000 -0.152 0.000 0.863 593 D CB 1.338 42.069 40.800 -0.116 0.000 1.156 593 D HN 1.365 nan 8.370 nan 0.000 0.450 594 G N 0.225 109.143 108.800 0.197 0.000 2.428 594 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.681 594 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.681 594 G C -1.001 174.004 174.900 0.175 0.000 1.340 594 G CA -1.006 44.221 45.100 0.211 0.000 0.915 594 G HN 0.334 nan 8.290 nan 0.000 0.645 595 V N 2.257 122.206 119.914 0.058 0.000 2.299 595 V HA 0.637 4.756 4.120 -0.001 0.000 0.255 595 V C 0.784 176.827 176.094 -0.085 0.000 1.100 595 V CA 0.594 62.890 62.300 -0.007 0.000 0.938 595 V CB -0.292 31.525 31.823 -0.010 0.000 1.139 595 V HN 1.034 nan 8.190 nan 0.000 0.490 596 R N 2.753 123.149 120.500 -0.173 0.000 2.752 596 R HA 0.825 5.164 4.340 -0.001 0.000 0.271 596 R C 0.455 176.451 176.300 -0.506 0.000 1.026 596 R CA -0.132 55.767 56.100 -0.335 0.000 0.901 596 R CB 1.189 31.200 30.300 -0.481 0.000 1.243 596 R HN 0.776 nan 8.270 nan 0.000 0.463 597 G N 1.238 109.640 108.800 -0.664 0.000 2.594 597 G HA2 -0.434 3.525 3.960 -0.001 0.000 0.297 597 G HA3 -0.434 3.525 3.960 -0.001 0.000 0.297 597 G C 0.554 174.378 174.900 -1.794 0.000 1.273 597 G CA 0.865 45.289 45.100 -1.126 0.000 0.974 597 G HN 0.765 nan 8.290 nan 0.000 0.552 598 M N 0.479 119.276 119.600 -1.339 0.000 2.149 598 M HA 0.002 4.481 4.480 -0.001 0.000 0.261 598 M C 2.409 178.432 176.300 -0.461 0.000 1.064 598 M CA 2.762 57.535 55.300 -0.878 0.000 1.102 598 M CB -0.561 31.817 32.600 -0.369 0.000 1.369 598 M HN 0.618 nan 8.290 nan 0.000 0.408 599 R N -0.423 119.875 120.500 -0.337 0.000 2.096 599 R HA -0.189 4.150 4.340 -0.001 0.000 0.235 599 R C 2.238 178.444 176.300 -0.157 0.000 1.127 599 R CA 1.940 57.941 56.100 -0.164 0.000 0.968 599 R CB -0.357 29.906 30.300 -0.062 0.000 0.861 599 R HN 0.657 nan 8.270 nan 0.000 0.440 600 E N -0.443 119.603 120.200 -0.258 0.000 2.047 600 E HA -0.192 4.157 4.350 -0.001 0.000 0.191 600 E C 1.441 178.054 176.600 0.022 0.000 0.987 600 E CA 1.283 57.605 56.400 -0.130 0.000 0.799 600 E CB -0.090 29.523 29.700 -0.146 0.000 0.752 600 E HN 0.420 nan 8.360 nan 0.000 0.449 601 W N 0.569 121.821 121.300 -0.080 0.000 2.402 601 W HA -0.030 4.630 4.660 -0.001 0.000 0.286 601 W C 2.078 178.560 176.519 -0.062 0.000 1.221 601 W CA 0.208 57.503 57.345 -0.083 0.000 1.257 601 W CB -0.845 28.544 29.460 -0.118 0.000 1.120 601 W HN 0.176 nan 8.180 nan 0.000 0.551 602 I N 0.051 120.684 120.570 0.106 0.000 2.252 602 I HA -0.089 4.080 4.170 -0.001 0.000 0.245 602 I C 2.137 178.272 176.117 0.031 0.000 1.102 602 I CA 1.465 62.790 61.300 0.043 0.000 1.385 602 I CB -1.104 36.889 38.000 -0.012 0.000 1.064 602 I HN 0.088 nan 8.210 nan 0.000 0.414 603 G N 2.287 111.100 108.800 0.022 0.000 2.611 603 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.301 603 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.301 603 G C 0.474 175.378 174.900 0.007 0.000 1.233 603 G CA 0.645 45.756 45.100 0.018 0.000 0.993 603 G HN 0.533 nan 8.290 nan 0.000 0.553 604 D N 1.288 121.694 120.400 0.010 0.000 2.328 604 D HA 0.384 5.023 4.640 -0.001 0.000 0.226 604 D C 1.777 178.079 176.300 0.003 0.000 1.066 604 D CA 1.157 55.161 54.000 0.005 0.000 0.861 604 D CB -0.398 40.407 40.800 0.008 0.000 0.912 604 D HN 2.207 nan 8.370 nan 0.000 0.521 605 G N 0.268 109.070 108.800 0.003 0.000 2.179 605 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.260 605 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.260 605 G C 1.100 176.003 174.900 0.006 0.000 0.977 605 G CA 0.824 45.921 45.100 -0.005 0.000 0.641 605 G HN 0.715 nan 8.290 nan 0.000 0.533 606 S N -0.617 115.093 115.700 0.016 0.000 2.524 606 S HA 0.319 4.788 4.470 -0.001 0.000 0.216 606 S C 0.629 175.247 174.600 0.030 0.000 0.987 606 S CA 0.659 58.873 58.200 0.022 0.000 0.909 606 S CB 0.377 63.589 63.200 0.021 0.000 0.781 606 S HN 0.608 nan 8.310 nan 0.000 0.521 607 E N 2.408 122.628 120.200 0.032 0.000 2.373 607 E HA 0.188 4.537 4.350 -0.001 0.000 0.267 607 E C -0.305 176.323 176.600 0.047 0.000 1.032 607 E CA -0.431 55.992 56.400 0.037 0.000 0.889 607 E CB 0.294 30.017 29.700 0.038 0.000 0.984 607 E HN 0.391 nan 8.360 nan 0.000 0.425 608 N N 2.443 121.172 118.700 0.048 0.000 2.458 608 N HA -0.009 4.730 4.740 -0.001 0.000 0.258 608 N C 0.011 175.561 175.510 0.067 0.000 1.219 608 N CA 0.331 53.416 53.050 0.058 0.000 0.902 608 N CB 0.378 38.895 38.487 0.050 0.000 1.076 608 N HN 0.547 nan 8.380 nan 0.000 0.455 609 I N -1.822 118.800 120.570 0.086 0.000 3.994 609 I HA 0.420 4.589 4.170 -0.001 0.000 0.323 609 I C -0.425 175.748 176.117 0.093 0.000 1.501 609 I CA -0.535 60.825 61.300 0.100 0.000 1.112 609 I CB 0.309 38.388 38.000 0.132 0.000 1.254 609 I HN 0.247 nan 8.210 nan 0.000 0.495 610 D N 2.510 122.955 120.400 0.075 0.000 2.317 610 D HA 0.204 4.843 4.640 -0.001 0.000 0.234 610 D C 0.263 176.570 176.300 0.012 0.000 1.112 610 D CA 0.095 54.123 54.000 0.046 0.000 0.840 610 D CB 0.589 41.436 40.800 0.078 0.000 1.078 610 D HN 0.254 nan 8.370 nan 0.000 0.486 611 N N 2.444 121.119 118.700 -0.040 0.000 2.681 611 N HA -0.211 4.528 4.740 -0.001 0.000 0.259 611 N C -1.381 174.122 175.510 -0.012 0.000 1.066 611 N CA 1.217 54.244 53.050 -0.038 0.000 0.717 611 N CB -0.994 37.487 38.487 -0.010 0.000 0.885 611 N HN 0.537 nan 8.380 nan 0.000 0.547 612 T N -0.875 113.673 114.554 -0.010 0.000 2.648 612 T HA 0.328 4.677 4.350 -0.001 0.000 0.304 612 T C -1.862 172.843 174.700 0.008 0.000 1.312 612 T CA -0.548 61.557 62.100 0.008 0.000 1.023 612 T CB 0.712 69.596 68.868 0.028 0.000 1.612 612 T HN 0.057 nan 8.240 nan 0.000 0.487 613 D N 2.392 122.805 120.400 0.022 0.000 2.316 613 D HA 0.459 5.098 4.640 -0.001 0.000 0.245 613 D C 0.192 176.552 176.300 0.099 0.000 1.171 613 D CA 0.035 54.048 54.000 0.022 0.000 0.856 613 D CB 0.394 41.187 40.800 -0.012 0.000 1.090 613 D HN 0.616 nan 8.370 nan 0.000 0.476 614 I N -1.677 118.952 120.570 0.098 0.000 3.067 614 I HA 0.626 4.795 4.170 -0.001 0.000 0.312 614 I C -1.072 175.142 176.117 0.161 0.000 1.073 614 I CA -1.158 60.225 61.300 0.138 0.000 1.016 614 I CB 1.865 39.950 38.000 0.141 0.000 1.227 614 I HN 0.013 nan 8.210 nan 0.000 0.456 615 L N 2.662 123.988 121.223 0.171 0.000 2.410 615 L HA 0.499 4.838 4.340 -0.001 0.000 0.270 615 L C -1.486 175.516 176.870 0.221 0.000 0.983 615 L CA -0.446 54.475 54.840 0.135 0.000 0.822 615 L CB 2.409 44.543 42.059 0.125 0.000 1.285 615 L HN 0.534 nan 8.230 nan 0.000 0.409 616 F N 3.494 123.406 119.950 -0.063 0.000 2.403 616 F HA 0.566 5.092 4.527 -0.001 0.000 0.355 616 F C -1.172 174.569 175.800 -0.098 0.000 1.119 616 F CA -0.656 57.354 58.000 0.017 0.000 1.007 616 F CB 0.787 39.783 39.000 -0.006 0.000 1.194 616 F HN 0.103 nan 8.300 nan 0.000 0.443 617 F N 5.294 125.277 119.950 0.054 0.000 2.426 617 F HA 0.310 4.836 4.527 -0.001 0.000 0.348 617 F C -0.350 175.521 175.800 0.119 0.000 1.124 617 F CA -0.682 57.392 58.000 0.124 0.000 1.008 617 F CB 0.976 40.039 39.000 0.106 0.000 1.139 617 F HN 0.443 nan 8.300 nan 0.000 0.452 618 H N 1.447 120.684 119.070 0.280 0.000 2.505 618 H HA 0.472 5.027 4.556 -0.001 0.000 0.338 618 H C -0.897 174.651 175.328 0.366 0.000 1.057 618 H CA -0.633 55.559 56.048 0.239 0.000 1.202 618 H CB 1.271 31.201 29.762 0.279 0.000 1.466 618 H HN 0.509 nan 8.280 nan 0.000 0.499 619 T N 7.441 121.984 114.554 -0.020 0.000 2.744 619 T HA 0.420 4.770 4.350 -0.001 0.000 0.291 619 T C -0.825 173.801 174.700 -0.124 0.000 0.957 619 T CA -0.292 61.854 62.100 0.076 0.000 1.002 619 T CB -0.354 68.658 68.868 0.240 0.000 0.919 619 T HN 0.491 nan 8.240 nan 0.000 0.468 620 F N 0.318 120.204 119.950 -0.106 0.000 2.685 620 F HA 0.955 5.481 4.527 -0.001 0.000 0.315 620 F C 0.140 176.082 175.800 0.236 0.000 1.126 620 F CA -0.763 57.216 58.000 -0.035 0.000 0.950 620 F CB 1.094 40.021 39.000 -0.122 0.000 1.360 620 F HN 0.874 nan 8.300 nan 0.000 0.469 621 G N 0.421 109.355 108.800 0.223 0.000 2.373 621 G HA2 0.431 4.390 3.960 -0.001 0.000 0.250 621 G HA3 0.431 4.390 3.960 -0.001 0.000 0.250 621 G C -1.978 173.050 174.900 0.213 0.000 1.304 621 G CA -0.292 44.959 45.100 0.250 0.000 0.948 621 G HN 1.577 nan 8.290 nan 0.000 0.474 622 I N -2.991 117.695 120.570 0.194 0.000 3.095 622 I HA 0.859 5.028 4.170 -0.001 0.000 0.310 622 I C -0.698 175.455 176.117 0.061 0.000 1.196 622 I CA -1.030 60.341 61.300 0.117 0.000 0.985 622 I CB 2.321 40.369 38.000 0.079 0.000 1.250 622 I HN 0.466 nan 8.210 nan 0.000 0.446 623 T N 1.245 115.791 114.554 -0.014 0.000 2.772 623 T HA 0.325 4.675 4.350 -0.001 0.000 0.288 623 T C -0.971 173.566 174.700 -0.272 0.000 0.994 623 T CA -0.138 61.855 62.100 -0.179 0.000 0.951 623 T CB 0.040 68.812 68.868 -0.161 0.000 0.933 623 T HN 0.635 nan 8.240 nan 0.000 0.447 624 H N 3.014 121.740 119.070 -0.573 0.000 2.597 624 H HA 0.409 4.964 4.556 -0.002 0.000 0.303 624 H C -1.073 173.839 175.328 -0.693 0.000 1.057 624 H CA -1.083 54.646 56.048 -0.531 0.000 1.261 624 H CB 0.284 29.677 29.762 -0.615 0.000 1.397 624 H HN 0.426 nan 8.280 nan 0.000 0.461 625 F N 6.816 126.863 119.950 0.161 0.000 2.293 625 F HA 0.277 4.803 4.527 -0.001 0.000 0.370 625 F C -1.951 173.935 175.800 0.144 0.000 1.090 625 F CA -2.517 55.531 58.000 0.081 0.000 1.133 625 F CB 0.712 39.751 39.000 0.066 0.000 1.360 625 F HN 0.527 nan 8.300 nan 0.000 0.489 626 P HA 0.249 nan 4.420 nan 0.000 0.266 626 P C -0.655 176.750 177.300 0.175 0.000 1.193 626 P CA 0.008 63.178 63.100 0.116 0.000 0.770 626 P CB 0.836 32.533 31.700 -0.004 0.000 0.836 627 A N 3.829 126.760 122.820 0.186 0.000 2.479 627 A HA 0.626 4.945 4.320 -0.001 0.000 0.296 627 A C -2.083 175.584 177.584 0.137 0.000 1.121 627 A CA -1.485 50.634 52.037 0.137 0.000 0.743 627 A CB 0.677 19.754 19.000 0.128 0.000 1.323 627 A HN 0.250 nan 8.150 nan 0.000 0.415 628 P HA -0.129 nan 4.420 nan 0.000 0.219 628 P C 0.735 178.138 177.300 0.172 0.000 1.146 628 P CA 1.431 64.621 63.100 0.150 0.000 0.808 628 P CB 0.238 32.011 31.700 0.121 0.000 0.779 629 E N -0.424 119.853 120.200 0.129 0.000 2.219 629 E HA -0.187 4.163 4.350 -0.001 0.000 0.198 629 E C 1.308 177.976 176.600 0.112 0.000 0.998 629 E CA 1.195 57.657 56.400 0.104 0.000 0.818 629 E CB -0.766 28.979 29.700 0.075 0.000 0.741 629 E HN 0.338 nan 8.360 nan 0.000 0.477 630 D N -1.084 119.414 120.400 0.163 0.000 2.363 630 D HA -0.004 4.635 4.640 -0.001 0.000 0.220 630 D C -0.313 176.114 176.300 0.210 0.000 0.994 630 D CA 0.423 54.529 54.000 0.178 0.000 0.890 630 D CB 0.103 41.064 40.800 0.269 0.000 0.906 630 D HN 0.057 nan 8.370 nan 0.000 0.530 631 F N 0.856 120.825 119.950 0.032 0.000 2.546 631 F HA 0.319 4.846 4.527 -0.001 0.000 0.320 631 F C -1.735 174.074 175.800 0.016 0.000 1.076 631 F CA -2.342 55.670 58.000 0.019 0.000 0.928 631 F CB 2.128 41.154 39.000 0.044 0.000 1.189 631 F HN -0.309 nan 8.300 nan 0.000 0.465 632 P HA 0.055 nan 4.420 nan 0.000 0.241 632 P C -0.552 176.393 177.300 -0.592 0.000 1.191 632 P CA 0.796 63.125 63.100 -1.285 0.000 0.771 632 P CB 0.765 31.973 31.700 -0.819 0.000 0.929 636 A N 1.120 123.884 122.820 -0.094 0.000 2.567 636 A HA 0.309 4.628 4.320 -0.001 0.000 0.240 636 A C 0.226 177.751 177.584 -0.098 0.000 1.053 636 A CA 0.539 52.517 52.037 -0.098 0.000 0.755 636 A CB -0.004 18.950 19.000 -0.077 0.000 0.978 636 A HN 0.550 nan 8.150 nan 0.000 0.507 637 E N 3.933 124.060 120.200 -0.122 0.000 2.133 637 E HA 0.458 4.807 4.350 -0.001 0.000 0.274 637 E C -2.613 173.926 176.600 -0.101 0.000 0.930 637 E CA -2.263 54.063 56.400 -0.122 0.000 0.770 637 E CB 1.525 31.117 29.700 -0.180 0.000 1.104 637 E HN 0.498 nan 8.360 nan 0.000 0.403 638 P HA 0.332 nan 4.420 nan 0.000 0.286 638 P C -0.710 176.561 177.300 -0.048 0.000 1.261 638 P CA -0.256 62.804 63.100 -0.067 0.000 0.821 638 P CB 1.250 32.907 31.700 -0.072 0.000 1.013 639 I N 0.691 121.234 120.570 -0.044 0.000 2.647 639 I HA 0.556 4.725 4.170 -0.001 0.000 0.295 639 I C 0.020 176.101 176.117 -0.060 0.000 1.078 639 I CA -0.538 60.757 61.300 -0.008 0.000 1.048 639 I CB 2.625 40.652 38.000 0.044 0.000 1.239 639 I HN 0.269 nan 8.210 nan 0.000 0.421 640 T N 6.237 120.745 114.554 -0.077 0.000 2.889 640 T HA 0.711 5.061 4.350 -0.001 0.000 0.315 640 T C -1.730 172.837 174.700 -0.221 0.000 1.291 640 T CA -0.567 61.433 62.100 -0.168 0.000 1.028 640 T CB 1.503 70.291 68.868 -0.133 0.000 1.235 640 T HN 0.571 nan 8.240 nan 0.000 0.491 641 L N 1.654 122.689 121.223 -0.313 0.000 2.409 641 L HA 0.833 5.172 4.340 -0.001 0.000 0.255 641 L C -1.605 175.141 176.870 -0.207 0.000 1.027 641 L CA -1.181 53.501 54.840 -0.264 0.000 0.834 641 L CB 1.980 43.811 42.059 -0.380 0.000 1.426 641 L HN 0.908 nan 8.230 nan 0.000 0.411 642 M N 1.977 121.500 119.600 -0.128 0.000 2.501 642 M HA 0.637 5.116 4.480 -0.001 0.000 0.293 642 M C -2.208 174.076 176.300 -0.026 0.000 1.192 642 M CA -0.595 54.658 55.300 -0.079 0.000 0.886 642 M CB 2.901 35.471 32.600 -0.050 0.000 1.710 642 M HN 0.687 nan 8.290 nan 0.000 0.457 643 L N 4.175 125.422 121.223 0.039 0.000 2.342 643 L HA 0.586 4.925 4.340 -0.001 0.000 0.276 643 L C -0.797 176.180 176.870 0.179 0.000 0.997 643 L CA -0.441 54.497 54.840 0.164 0.000 0.838 643 L CB 1.702 43.947 42.059 0.310 0.000 1.224 643 L HN 0.672 nan 8.230 nan 0.000 0.416 644 R N 4.117 124.617 120.500 -0.001 0.000 2.514 644 R HA 0.468 4.807 4.340 -0.001 0.000 0.301 644 R C -2.564 173.368 176.300 -0.613 0.000 0.962 644 R CA -1.927 54.056 56.100 -0.194 0.000 0.882 644 R CB 1.572 31.812 30.300 -0.100 0.000 1.143 644 R HN 0.253 nan 8.270 nan 0.000 0.452 645 P HA 0.086 nan 4.420 nan 0.000 0.271 645 P C -0.937 176.152 177.300 -0.352 0.000 1.226 645 P CA -0.107 62.368 63.100 -1.040 0.000 0.765 645 P CB 0.801 32.097 31.700 -0.674 0.000 0.835 646 R N 3.126 123.505 120.500 -0.203 0.000 2.502 646 R HA 0.272 4.611 4.340 -0.001 0.000 0.300 646 R C 0.684 177.009 176.300 0.041 0.000 0.984 646 R CA -0.699 55.339 56.100 -0.103 0.000 0.882 646 R CB 0.373 30.663 30.300 -0.017 0.000 1.180 646 R HN 0.656 nan 8.270 nan 0.000 0.444 647 H N 0.946 120.035 119.070 0.032 0.000 3.179 647 H HA -0.237 4.318 4.556 -0.002 0.000 0.250 647 H C 0.768 176.100 175.328 0.006 0.000 1.142 647 H CA 1.300 57.362 56.048 0.025 0.000 1.165 647 H CB -1.170 28.595 29.762 0.005 0.000 1.253 647 H HN 0.552 nan 8.280 nan 0.000 0.325 648 F N 0.609 120.486 119.950 -0.121 0.000 2.118 648 F HA 0.111 4.637 4.527 -0.001 0.000 0.293 648 F C 1.115 176.650 175.800 -0.442 0.000 1.102 648 F CA 0.798 58.608 58.000 -0.318 0.000 1.247 648 F CB 0.163 38.849 39.000 -0.523 0.000 1.017 648 F HN -0.065 nan 8.300 nan 0.000 0.475 649 F N -0.141 119.883 119.950 0.123 0.000 2.380 649 F HA 0.232 4.758 4.527 -0.002 0.000 0.321 649 F C 1.699 177.476 175.800 -0.037 0.000 1.103 649 F CA -0.147 57.862 58.000 0.016 0.000 1.067 649 F CB 0.641 39.655 39.000 0.023 0.000 1.265 649 F HN -0.188 nan 8.300 nan 0.000 0.517 650 T N -2.983 111.649 114.554 0.129 0.000 3.081 650 T HA 0.206 4.555 4.350 -0.001 0.000 0.250 650 T C -0.060 174.737 174.700 0.161 0.000 1.100 650 T CA 0.303 62.404 62.100 0.003 0.000 1.038 650 T CB -0.606 68.060 68.868 -0.337 0.000 0.962 650 T HN 0.741 nan 8.240 nan 0.000 0.516 651 E N 0.126 120.415 120.200 0.148 0.000 2.429 651 E HA 0.290 4.639 4.350 -0.001 0.000 0.280 651 E C -1.363 175.234 176.600 -0.005 0.000 1.068 651 E CA -1.218 55.231 56.400 0.081 0.000 0.837 651 E CB 0.057 29.800 29.700 0.071 0.000 1.357 651 E HN -0.107 nan 8.360 nan 0.000 0.455 652 N N 2.020 120.671 118.700 -0.082 0.000 2.315 652 N HA -0.010 4.729 4.740 -0.001 0.000 0.270 652 N C -1.388 174.001 175.510 -0.202 0.000 1.329 652 N CA -1.165 51.787 53.050 -0.162 0.000 0.860 652 N CB 0.676 39.016 38.487 -0.244 0.000 1.095 652 N HN 0.385 nan 8.380 nan 0.000 0.487 653 P HA 0.060 nan 4.420 nan 0.000 0.241 653 P C 0.772 177.974 177.300 -0.163 0.000 1.191 653 P CA 0.542 63.375 63.100 -0.446 0.000 0.771 653 P CB 0.083 31.049 31.700 -1.223 0.000 0.929 654 G N -0.237 108.535 108.800 -0.047 0.000 3.141 654 G HA2 0.050 4.009 3.960 -0.001 0.000 0.218 654 G HA3 0.050 4.009 3.960 -0.001 0.000 0.218 654 G C 1.260 176.307 174.900 0.245 0.000 1.170 654 G CA -0.161 45.024 45.100 0.141 0.000 0.769 654 G HN 0.188 nan 8.290 nan 0.000 0.546 655 L N 1.059 122.329 121.223 0.079 0.000 2.362 655 L HA 0.008 4.347 4.340 -0.001 0.000 0.219 655 L C 1.907 178.843 176.870 0.110 0.000 1.134 655 L CA 0.959 55.834 54.840 0.059 0.000 0.807 655 L CB -0.034 41.971 42.059 -0.090 0.000 0.927 655 L HN 0.263 nan 8.230 nan 0.000 0.447 656 D N -0.242 120.223 120.400 0.108 0.000 2.328 656 D HA 0.032 4.671 4.640 -0.001 0.000 0.221 656 D C 0.642 176.984 176.300 0.070 0.000 1.072 656 D CA -0.041 54.014 54.000 0.092 0.000 0.850 656 D CB -0.138 40.742 40.800 0.133 0.000 0.922 656 D HN 0.204 nan 8.370 nan 0.000 0.516 657 I N 1.633 122.256 120.570 0.089 0.000 2.441 657 I HA -0.005 4.164 4.170 -0.001 0.000 0.287 657 I C 0.708 176.857 176.117 0.053 0.000 1.049 657 I CA -0.567 60.761 61.300 0.047 0.000 1.381 657 I CB 0.797 38.814 38.000 0.029 0.000 1.409 657 I HN -0.232 nan 8.210 nan 0.000 0.523 658 Q N 7.087 126.901 119.800 0.023 0.000 2.247 658 Q HA 0.116 4.455 4.340 -0.001 0.000 0.288 658 Q C -2.114 173.898 176.000 0.020 0.000 1.079 658 Q CA -1.230 54.587 55.803 0.023 0.000 0.932 658 Q CB 0.015 28.760 28.738 0.012 0.000 1.133 658 Q HN 0.309 nan 8.270 nan 0.000 0.377 659 P HA 0.028 nan 4.420 nan 0.000 0.269 659 P C 0.358 177.676 177.300 0.031 0.000 1.215 659 P CA 0.090 63.209 63.100 0.032 0.000 0.780 659 P CB 0.700 32.430 31.700 0.050 0.000 0.898 660 S N -0.090 115.632 115.700 0.037 0.000 2.406 660 S HA -0.048 4.421 4.470 -0.001 0.000 0.228 660 S C 0.179 174.876 174.600 0.162 0.000 1.020 660 S CA 1.175 59.416 58.200 0.069 0.000 0.965 660 S CB -0.408 62.820 63.200 0.047 0.000 0.798 660 S HN 0.590 nan 8.310 nan 0.000 0.488 661 Y N -0.170 120.134 120.300 0.008 0.000 2.513 661 Y HA 0.579 5.128 4.550 -0.001 0.000 0.340 661 Y C -1.544 174.374 175.900 0.030 0.000 1.055 661 Y CA -1.258 56.852 58.100 0.016 0.000 1.020 661 Y CB 1.139 39.606 38.460 0.013 0.000 1.301 661 Y HN -0.055 nan 8.280 nan 0.000 0.453 662 A N 6.938 129.372 122.820 -0.643 0.000 2.456 662 A HA 0.714 5.034 4.320 -0.001 0.000 0.288 662 A C -1.818 175.390 177.584 -0.627 0.000 1.042 662 A CA -0.570 51.190 52.037 -0.461 0.000 0.738 662 A CB 1.204 20.097 19.000 -0.178 0.000 1.266 662 A HN 0.829 nan 8.150 nan 0.000 0.407 663 M N 3.209 122.535 119.600 -0.458 0.000 2.267 663 M HA 0.518 4.997 4.480 -0.001 0.000 0.289 663 M C 0.112 176.352 176.300 -0.099 0.000 1.043 663 M CA -0.218 54.929 55.300 -0.254 0.000 0.928 663 M CB 2.015 34.508 32.600 -0.179 0.000 1.613 663 M HN 0.918 nan 8.290 nan 0.000 0.450 664 T N 0.448 114.960 114.554 -0.071 0.000 2.788 664 T HA 0.324 4.673 4.350 -0.001 0.000 0.280 664 T C 0.841 175.526 174.700 -0.026 0.000 0.984 664 T CA -0.261 61.816 62.100 -0.038 0.000 0.972 664 T CB 0.921 69.769 68.868 -0.035 0.000 1.039 664 T HN 0.723 nan 8.240 nan 0.000 0.530 665 T N 1.286 115.826 114.554 -0.024 0.000 2.746 665 T HA -0.128 4.221 4.350 -0.001 0.000 0.267 665 T C 2.412 177.097 174.700 -0.026 0.000 1.039 665 T CA 1.851 63.934 62.100 -0.029 0.000 1.142 665 T CB -0.731 68.114 68.868 -0.037 0.000 0.866 665 T HN 0.863 nan 8.240 nan 0.000 0.444 666 S N 1.795 117.480 115.700 -0.024 0.000 2.368 666 S HA -0.123 4.346 4.470 -0.001 0.000 0.225 666 S C 1.906 176.495 174.600 -0.018 0.000 1.030 666 S CA 1.139 59.326 58.200 -0.021 0.000 0.999 666 S CB -0.483 62.705 63.200 -0.021 0.000 0.844 666 S HN 0.566 nan 8.310 nan 0.000 0.459 667 E N 1.774 121.961 120.200 -0.021 0.000 2.077 667 E HA -0.033 4.316 4.350 -0.001 0.000 0.193 667 E C 2.434 179.029 176.600 -0.008 0.000 0.989 667 E CA 1.029 57.418 56.400 -0.018 0.000 0.800 667 E CB -0.445 29.235 29.700 -0.032 0.000 0.746 667 E HN 0.717 nan 8.360 nan 0.000 0.452 668 A N 1.452 124.269 122.820 -0.006 0.000 1.933 668 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 668 A C 1.929 179.512 177.584 -0.001 0.000 1.175 668 A CA 1.404 53.445 52.037 0.006 0.000 0.628 668 A CB -0.233 18.770 19.000 0.005 0.000 0.814 668 A HN 0.043 nan 8.150 nan 0.000 0.444 669 K N -0.761 119.633 120.400 -0.010 0.000 2.057 669 K HA -0.069 4.251 4.320 -0.001 0.000 0.206 669 K C 2.312 178.908 176.600 -0.007 0.000 1.050 669 K CA 1.232 57.513 56.287 -0.011 0.000 0.935 669 K CB -0.171 32.319 32.500 -0.017 0.000 0.715 669 K HN 0.362 nan 8.250 nan 0.000 0.439 670 R N 0.425 120.922 120.500 -0.006 0.000 2.096 670 R HA -0.069 4.270 4.340 -0.001 0.000 0.235 670 R C 1.905 178.207 176.300 0.002 0.000 1.127 670 R CA 1.201 57.299 56.100 -0.003 0.000 0.968 670 R CB -0.223 30.074 30.300 -0.005 0.000 0.861 670 R HN 0.128 nan 8.270 nan 0.000 0.440 671 A N 0.881 123.705 122.820 0.006 0.000 2.258 671 A HA 0.173 4.492 4.320 -0.001 0.000 0.206 671 A C 0.401 177.991 177.584 0.011 0.000 1.222 671 A CA 0.099 52.144 52.037 0.013 0.000 0.822 671 A CB -0.346 18.669 19.000 0.025 0.000 0.804 671 A HN 0.091 nan 8.150 nan 0.000 0.483 672 V N 0.000 119.917 119.914 0.005 0.000 2.409 672 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 672 V CA 0.000 62.301 62.300 0.002 0.000 1.235 672 V CB 0.000 31.825 31.823 0.003 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556