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 3fto_1_A DATA FIRST_RESID 18 DATA SEQUENCE NFDVAYQNPD KAIKGGNLKV AYQSDSPXKA QWLSGLSNDA TFATXSGPGG DATA SEQUENCE GQDGLFFTDS GFKFIKGGAA DVALDKESKT ATITLRKDLK WSDGSEVTAK DATA SEQUENCE DYEFTYETIA NPAYGSDRWT DSLANIVGLS DYHTGKAKTI SGITFPDGEN DATA SEQUENCE GKVIKVQFKE XKPGXTQSGN GYFLETVAPY QYLKDVAPKD LASSPKTTTK DATA SEQUENCE PLVTGPFKPE NVVAGESIKY VPNPYYWGEK PKLNSITYEV VSTAKSVAAL DATA SEQUENCE SSSKYDIING XVSSQYKQVK NLKGYKVLGQ QAXYISLXYY NLGHYDAKNS DATA SEQUENCE INVQDRKTPL QDQNVRQAIG YARNVAEVDN KFSNGLSTPA NSLIPPIFKQ DATA SEQUENCE FTSSSVKGYE KQDLDKANKL LDEDGWKLNK STGYREKDGK ELSLVYAARV DATA SEQUENCE GDANAETIAQ NYIQQWKKIG VKVSLYNGKL XEFNSWVDHX TTPPGANDWD DATA SEQUENCE ITDGSWSLAS EPSQQDLFSA AAPYNFGHFN DSEITKDLND IDSAKSENPT DATA SEQUENCE YRKAAFVKYQ EDXNKKAYVI PTNFXLNYTP VNKRVVGXTL DYGAXNTWSE DATA SEQUENCE IGVSSAKLA 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 N HA 0.000 nan 4.740 nan 0.000 0.220 18 N C 0.000 175.342 175.510 -0.279 0.000 1.280 18 N CA 0.000 52.979 53.050 -0.119 0.000 0.885 18 N CB 0.000 38.375 38.487 -0.186 0.000 1.341 19 F N 0.824 120.780 119.950 0.010 0.000 2.508 19 F HA 0.468 4.984 4.527 -0.017 0.000 0.325 19 F C 0.300 176.108 175.800 0.013 0.000 1.090 19 F CA -0.608 57.400 58.000 0.012 0.000 0.945 19 F CB 1.537 40.536 39.000 -0.001 0.000 1.156 19 F HN -0.245 nan 8.300 nan 0.000 0.463 20 D N 1.797 122.326 120.400 0.216 0.000 2.192 20 D HA 0.251 4.880 4.640 -0.019 0.000 0.246 20 D C 0.843 177.213 176.300 0.117 0.000 1.042 20 D CA -0.177 53.900 54.000 0.129 0.000 0.847 20 D CB 2.614 43.474 40.800 0.099 0.000 1.186 20 D HN 0.240 nan 8.370 nan 0.000 0.461 21 V N 1.058 121.007 119.914 0.059 0.000 2.515 21 V HA -0.050 4.058 4.120 -0.019 0.000 0.250 21 V C 0.862 176.959 176.094 0.004 0.000 1.058 21 V CA 1.534 63.836 62.300 0.004 0.000 1.064 21 V CB -0.205 31.600 31.823 -0.031 0.000 0.675 21 V HN 0.668 nan 8.190 nan 0.000 0.461 22 A N -1.736 121.105 122.820 0.035 0.000 2.454 22 A HA 0.669 4.978 4.320 -0.019 0.000 0.302 22 A C -1.594 176.069 177.584 0.130 0.000 1.079 22 A CA -0.476 51.588 52.037 0.045 0.000 0.731 22 A CB 1.286 20.286 19.000 0.000 0.000 1.299 22 A HN 0.164 nan 8.150 nan 0.000 0.413 23 Y N 1.256 121.547 120.300 -0.015 0.000 2.385 23 Y HA 0.472 5.012 4.550 -0.017 0.000 0.341 23 Y C -0.006 175.885 175.900 -0.015 0.000 0.965 23 Y CA -0.690 57.406 58.100 -0.006 0.000 1.180 23 Y CB 0.929 39.389 38.460 -0.000 0.000 1.139 23 Y HN 0.671 nan 8.280 nan 0.000 0.502 24 Q N 5.750 125.498 119.800 -0.087 0.000 2.389 24 Q HA 0.138 4.466 4.340 -0.019 0.000 0.244 24 Q C -0.439 175.303 176.000 -0.430 0.000 1.056 24 Q CA -0.349 55.315 55.803 -0.231 0.000 0.908 24 Q CB 0.258 28.952 28.738 -0.073 0.000 1.273 24 Q HN 0.597 nan 8.270 nan 0.000 0.471 25 N N 4.086 122.368 118.700 -0.697 0.000 2.470 25 N HA 0.086 4.814 4.740 -0.019 0.000 0.268 25 N C -1.592 173.780 175.510 -0.230 0.000 1.136 25 N CA -1.479 51.204 53.050 -0.611 0.000 0.961 25 N CB 1.209 39.325 38.487 -0.619 0.000 1.067 25 N HN 0.383 nan 8.380 nan 0.000 0.468 26 P HA -0.037 nan 4.420 nan 0.000 0.215 26 P C -0.541 176.728 177.300 -0.052 0.000 1.157 26 P CA 0.953 64.020 63.100 -0.054 0.000 0.863 26 P CB 0.115 31.808 31.700 -0.010 0.000 0.787 27 D N 1.676 122.049 120.400 -0.044 0.000 2.382 27 D HA 0.071 4.699 4.640 -0.019 0.000 0.245 27 D C 0.746 177.015 176.300 -0.051 0.000 1.120 27 D CA 0.056 54.035 54.000 -0.036 0.000 0.890 27 D CB 0.808 41.597 40.800 -0.019 0.000 1.201 27 D HN 0.338 nan 8.370 nan 0.000 0.433 28 K N -0.360 120.017 120.400 -0.038 0.000 2.168 28 K HA 0.574 4.882 4.320 -0.019 0.000 0.258 28 K C -0.268 176.314 176.600 -0.030 0.000 1.010 28 K CA -0.929 55.335 56.287 -0.038 0.000 0.929 28 K CB 0.800 33.282 32.500 -0.029 0.000 0.998 28 K HN 0.300 nan 8.250 nan 0.000 0.479 29 A N 2.935 125.738 122.820 -0.028 0.000 2.440 29 A HA 0.293 4.602 4.320 -0.019 0.000 0.251 29 A C 0.479 178.059 177.584 -0.007 0.000 1.089 29 A CA -0.876 51.151 52.037 -0.016 0.000 0.779 29 A CB -0.410 18.582 19.000 -0.013 0.000 1.022 29 A HN 0.808 nan 8.150 nan 0.000 0.492 30 I N -0.545 120.024 120.570 -0.001 0.000 3.004 30 I HA 0.337 4.496 4.170 -0.019 0.000 0.287 30 I C 0.199 176.321 176.117 0.009 0.000 1.144 30 I CA -0.604 60.698 61.300 0.004 0.000 1.353 30 I CB 0.530 38.533 38.000 0.006 0.000 1.417 30 I HN 0.523 nan 8.210 nan 0.000 0.602 31 K N 3.457 123.863 120.400 0.009 0.000 2.270 31 K HA 0.493 4.802 4.320 -0.019 0.000 0.276 31 K C 0.535 177.147 176.600 0.020 0.000 1.023 31 K CA 0.423 56.718 56.287 0.012 0.000 0.955 31 K CB 0.825 33.330 32.500 0.007 0.000 0.975 31 K HN 1.040 nan 8.250 nan 0.000 0.471 32 G N 1.265 110.082 108.800 0.028 0.000 2.553 32 G HA2 0.068 4.017 3.960 -0.019 0.000 0.242 32 G HA3 0.068 4.017 3.960 -0.019 0.000 0.242 32 G C 0.137 175.066 174.900 0.048 0.000 1.277 32 G CA -0.394 44.730 45.100 0.040 0.000 0.910 32 G HN 1.243 nan 8.290 nan 0.000 0.576 33 G N -1.349 107.479 108.800 0.047 0.000 2.619 33 G HA2 0.397 4.346 3.960 -0.019 0.000 0.686 33 G HA3 0.397 4.346 3.960 -0.019 0.000 0.686 33 G C -0.781 174.154 174.900 0.060 0.000 1.256 33 G CA 0.549 45.676 45.100 0.046 0.000 0.826 33 G HN 2.257 nan 8.290 nan 0.000 0.619 34 N N -0.874 117.855 118.700 0.049 0.000 2.314 34 N HA 0.697 5.425 4.740 -0.019 0.000 0.294 34 N C -0.719 174.815 175.510 0.040 0.000 1.029 34 N CA -0.743 52.337 53.050 0.049 0.000 0.845 34 N CB 1.666 40.179 38.487 0.044 0.000 1.321 34 N HN 0.774 nan 8.380 nan 0.000 0.481 35 L N 2.478 123.719 121.223 0.030 0.000 2.317 35 L HA 0.554 4.882 4.340 -0.019 0.000 0.281 35 L C -0.705 176.182 176.870 0.028 0.000 1.024 35 L CA -0.314 54.541 54.840 0.026 0.000 0.810 35 L CB 1.014 43.086 42.059 0.021 0.000 1.240 35 L HN 0.509 nan 8.230 nan 0.000 0.427 36 K N 4.359 124.797 120.400 0.063 0.000 2.339 36 K HA 0.639 4.948 4.320 -0.019 0.000 0.264 36 K C -1.523 175.173 176.600 0.159 0.000 0.986 36 K CA -0.620 55.747 56.287 0.134 0.000 0.866 36 K CB 1.865 34.466 32.500 0.167 0.000 1.103 36 K HN 0.363 nan 8.250 nan 0.000 0.441 37 V N 1.461 121.387 119.914 0.020 0.000 2.735 37 V HA 0.765 4.874 4.120 -0.019 0.000 0.310 37 V C -0.594 175.345 176.094 -0.259 0.000 1.061 37 V CA -0.977 61.190 62.300 -0.223 0.000 0.913 37 V CB 1.788 33.215 31.823 -0.660 0.000 1.005 37 V HN 0.877 nan 8.190 nan 0.000 0.428 38 A N 2.745 125.371 122.820 -0.324 0.000 2.469 38 A HA 0.862 5.171 4.320 -0.019 0.000 0.299 38 A C -1.972 175.667 177.584 0.093 0.000 1.098 38 A CA -0.597 51.271 52.037 -0.282 0.000 0.737 38 A CB 1.704 20.078 19.000 -1.043 0.000 1.312 38 A HN 0.878 nan 8.150 nan 0.000 0.414 39 Y N 0.736 121.071 120.300 0.058 0.000 2.341 39 Y HA 0.475 5.014 4.550 -0.017 0.000 0.338 39 Y C 0.308 176.182 175.900 -0.043 0.000 0.965 39 Y CA -0.259 57.861 58.100 0.034 0.000 1.108 39 Y CB 1.681 40.156 38.460 0.025 0.000 1.180 39 Y HN 0.766 nan 8.280 nan 0.000 0.458 40 Q N 4.469 123.967 119.800 -0.504 0.000 2.307 40 Q HA 0.385 4.713 4.340 -0.019 0.000 0.261 40 Q C -1.132 174.732 176.000 -0.228 0.000 1.051 40 Q CA 0.204 55.822 55.803 -0.310 0.000 0.911 40 Q CB 0.457 29.006 28.738 -0.315 0.000 1.227 40 Q HN 0.644 nan 8.270 nan 0.000 0.418 41 S N 3.015 118.693 115.700 -0.037 0.000 2.536 41 S HA 0.238 4.697 4.470 -0.019 0.000 0.271 41 S C -0.729 173.883 174.600 0.020 0.000 1.134 41 S CA -0.753 57.468 58.200 0.037 0.000 0.897 41 S CB 1.381 64.675 63.200 0.157 0.000 1.094 41 S HN 0.768 nan 8.310 nan 0.000 0.473 42 D N 1.722 122.129 120.400 0.012 0.000 2.349 42 D HA 0.143 4.772 4.640 -0.019 0.000 0.214 42 D C 0.489 176.798 176.300 0.016 0.000 1.063 42 D CA 0.435 54.440 54.000 0.008 0.000 0.847 42 D CB 0.553 41.351 40.800 -0.003 0.000 0.933 42 D HN 0.542 nan 8.370 nan 0.000 0.513 43 S N 0.219 115.934 115.700 0.026 0.000 2.600 43 S HA 0.716 5.175 4.470 -0.019 0.000 0.300 43 S C -2.714 171.904 174.600 0.030 0.000 1.087 43 S CA -1.306 56.908 58.200 0.024 0.000 0.965 43 S CB 2.456 65.668 63.200 0.019 0.000 1.089 43 S HN -0.282 nan 8.310 nan 0.000 0.496 47 A N 3.568 126.026 122.820 -0.603 0.000 2.376 47 A HA 0.348 4.657 4.320 -0.019 0.000 0.298 47 A C -0.509 176.438 177.584 -1.063 0.000 1.271 47 A CA 0.081 51.311 52.037 -1.345 0.000 0.926 47 A CB 0.670 19.237 19.000 -0.721 0.000 1.141 47 A HN 0.532 nan 8.150 nan 0.000 0.539 48 Q N 2.745 121.726 119.800 -1.366 0.000 2.337 48 Q HA 0.426 4.755 4.340 -0.019 0.000 0.260 48 Q C -0.577 175.239 176.000 -0.307 0.000 0.982 48 Q CA -0.465 55.013 55.803 -0.542 0.000 0.734 48 Q CB 0.490 29.083 28.738 -0.240 0.000 1.272 48 Q HN 0.706 nan 8.270 nan 0.000 0.461 49 W N 3.175 124.508 121.300 0.055 0.000 2.425 49 W HA 0.090 4.739 4.660 -0.019 0.000 0.277 49 W C 0.144 176.785 176.519 0.204 0.000 1.231 49 W CA -0.000 57.492 57.345 0.246 0.000 1.248 49 W CB 0.170 29.767 29.460 0.227 0.000 1.117 49 W HN 0.377 nan 8.180 nan 0.000 0.568 50 L N 0.955 122.345 121.223 0.278 0.000 2.331 50 L HA 0.108 4.437 4.340 -0.019 0.000 0.278 50 L C 1.766 178.714 176.870 0.131 0.000 1.106 50 L CA -0.262 54.694 54.840 0.192 0.000 0.824 50 L CB 1.061 43.187 42.059 0.112 0.000 1.142 50 L HN -0.198 nan 8.230 nan 0.000 0.443 51 S N 2.869 118.644 115.700 0.125 0.000 2.368 51 S HA -0.120 4.339 4.470 -0.019 0.000 0.225 51 S C 1.851 176.475 174.600 0.039 0.000 1.030 51 S CA 1.688 59.940 58.200 0.087 0.000 0.999 51 S CB -0.149 63.103 63.200 0.088 0.000 0.844 51 S HN 0.966 nan 8.310 nan 0.000 0.459 52 G N 0.898 109.702 108.800 0.006 0.000 2.432 52 G HA2 -0.097 3.852 3.960 -0.019 0.000 0.219 52 G HA3 -0.097 3.852 3.960 -0.019 0.000 0.219 52 G C 1.067 175.975 174.900 0.013 0.000 1.135 52 G CA 0.692 45.785 45.100 -0.011 0.000 0.767 52 G HN 0.477 nan 8.290 nan 0.000 0.550 53 L N 0.636 121.868 121.223 0.015 0.000 2.558 53 L HA 0.309 4.638 4.340 -0.019 0.000 0.225 53 L C 1.382 178.262 176.870 0.017 0.000 1.128 53 L CA 0.024 54.879 54.840 0.025 0.000 0.868 53 L CB -0.079 41.996 42.059 0.027 0.000 1.006 53 L HN 0.070 nan 8.230 nan 0.000 0.454 54 S N 0.214 115.927 115.700 0.022 0.000 2.457 54 S HA 0.302 4.761 4.470 -0.019 0.000 0.289 54 S C 0.933 175.546 174.600 0.022 0.000 1.163 54 S CA -0.484 57.724 58.200 0.014 0.000 1.078 54 S CB 0.275 63.503 63.200 0.046 0.000 0.987 54 S HN 0.277 nan 8.310 nan 0.000 0.482 55 N N 3.054 121.761 118.700 0.012 0.000 2.171 55 N HA 0.099 4.828 4.740 -0.019 0.000 0.212 55 N C -0.958 174.563 175.510 0.018 0.000 1.184 55 N CA -0.101 52.962 53.050 0.021 0.000 0.888 55 N CB 0.507 39.008 38.487 0.024 0.000 1.038 55 N HN 0.566 nan 8.380 nan 0.000 0.517 56 D N 0.356 120.763 120.400 0.012 0.000 2.329 56 D HA 0.465 5.093 4.640 -0.019 0.000 0.232 56 D C 0.879 177.179 176.300 0.001 0.000 1.088 56 D CA -0.516 53.489 54.000 0.009 0.000 0.835 56 D CB 1.526 42.325 40.800 -0.002 0.000 1.078 56 D HN 0.063 nan 8.370 nan 0.000 0.495 57 A N 2.981 125.794 122.820 -0.013 0.000 1.933 57 A HA -0.128 4.180 4.320 -0.019 0.000 0.218 57 A C 2.035 179.517 177.584 -0.169 0.000 1.175 57 A CA 1.602 53.610 52.037 -0.049 0.000 0.628 57 A CB -0.596 18.403 19.000 -0.001 0.000 0.814 57 A HN 0.635 nan 8.150 nan 0.000 0.444 58 T N -0.894 113.555 114.554 -0.174 0.000 2.674 58 T HA -0.133 4.206 4.350 -0.019 0.000 0.265 58 T C 1.606 176.030 174.700 -0.461 0.000 1.039 58 T CA 1.654 63.512 62.100 -0.403 0.000 1.150 58 T CB -0.392 68.396 68.868 -0.133 0.000 0.864 58 T HN 0.509 nan 8.240 nan 0.000 0.427 59 F N 2.083 121.821 119.950 -0.354 0.000 2.171 59 F HA 0.013 4.529 4.527 -0.019 0.000 0.300 59 F C 2.339 177.906 175.800 -0.388 0.000 1.090 59 F CA 0.866 58.637 58.000 -0.382 0.000 1.293 59 F CB -0.577 38.219 39.000 -0.340 0.000 1.013 59 F HN 0.135 nan 8.300 nan 0.000 0.486 60 A N -0.303 122.294 122.820 -0.371 0.000 1.902 60 A HA -0.052 4.256 4.320 -0.019 0.000 0.217 60 A C 1.618 178.974 177.584 -0.380 0.000 1.181 60 A CA 1.576 53.404 52.037 -0.348 0.000 0.623 60 A CB -1.345 17.578 19.000 -0.129 0.000 0.818 60 A HN 0.384 nan 8.150 nan 0.000 0.443 64 G N 3.090 111.794 108.800 -0.160 0.000 2.446 64 G HA2 0.003 3.952 3.960 -0.019 0.000 0.217 64 G HA3 0.003 3.952 3.960 -0.019 0.000 0.217 64 G C -0.627 174.033 174.900 -0.400 0.000 1.168 64 G CA 1.409 46.499 45.100 -0.016 0.000 0.771 64 G HN 0.568 nan 8.290 nan 0.000 0.551 65 P HA 0.026 nan 4.420 nan 0.000 0.222 65 P C 1.818 178.693 177.300 -0.709 0.000 1.147 65 P CA 1.456 63.585 63.100 -1.617 0.000 0.790 65 P CB -0.250 30.144 31.700 -2.176 0.000 0.780 66 G N -1.460 107.124 108.800 -0.360 0.000 2.920 66 G HA2 0.241 4.190 3.960 -0.019 0.000 0.208 66 G HA3 0.241 4.190 3.960 -0.019 0.000 0.208 66 G C 1.061 176.069 174.900 0.181 0.000 1.159 66 G CA 0.426 45.620 45.100 0.158 0.000 0.784 66 G HN 0.391 nan 8.290 nan 0.000 0.535 67 G N -1.329 107.535 108.800 0.107 0.000 2.159 67 G HA2 0.232 4.180 3.960 -0.019 0.000 0.227 67 G HA3 0.232 4.180 3.960 -0.019 0.000 0.227 67 G C 0.983 176.018 174.900 0.224 0.000 0.986 67 G CA 0.566 45.787 45.100 0.202 0.000 0.651 67 G HN 1.784 nan 8.290 nan 0.000 0.523 68 G N -0.139 108.767 108.800 0.177 0.000 2.338 68 G HA2 0.017 3.965 3.960 -0.019 0.000 0.296 68 G HA3 0.017 3.965 3.960 -0.019 0.000 0.296 68 G C 0.523 175.519 174.900 0.160 0.000 1.040 68 G CA 1.140 46.324 45.100 0.140 0.000 1.004 68 G HN 1.957 nan 8.290 nan 0.000 0.509 69 Q N -1.014 118.921 119.800 0.226 0.000 2.478 69 Q HA -0.166 4.162 4.340 -0.019 0.000 0.286 69 Q C 0.502 176.675 176.000 0.288 0.000 1.299 69 Q CA 0.876 56.856 55.803 0.294 0.000 0.826 69 Q CB -1.115 27.750 28.738 0.211 0.000 1.199 69 Q HN 0.895 nan 8.270 nan 0.000 0.451 70 D N -2.897 117.679 120.400 0.294 0.000 2.705 70 D HA -0.147 4.482 4.640 -0.019 0.000 0.240 70 D C 0.428 176.830 176.300 0.170 0.000 1.137 70 D CA 1.433 55.578 54.000 0.241 0.000 0.677 70 D CB -1.474 39.504 40.800 0.297 0.000 1.049 70 D HN 0.618 nan 8.370 nan 0.000 0.427 71 G N 0.050 108.957 108.800 0.178 0.000 2.361 71 G HA2 0.346 4.295 3.960 -0.019 0.000 0.260 71 G HA3 0.346 4.295 3.960 -0.019 0.000 0.260 71 G C 1.403 176.338 174.900 0.058 0.000 1.261 71 G CA -0.529 44.658 45.100 0.144 0.000 0.897 71 G HN 0.279 nan 8.290 nan 0.000 0.499 72 L N 1.749 122.860 121.223 -0.186 0.000 2.109 72 L HA 0.126 4.455 4.340 -0.019 0.000 0.207 72 L C 0.292 176.866 176.870 -0.493 0.000 1.086 72 L CA 0.667 55.175 54.840 -0.554 0.000 0.760 72 L CB -0.241 41.169 42.059 -1.080 0.000 0.910 72 L HN 0.368 nan 8.230 nan 0.000 0.437 73 F N -1.360 118.702 119.950 0.188 0.000 2.469 73 F HA 0.433 4.948 4.527 -0.020 0.000 0.332 73 F C 0.182 176.286 175.800 0.507 0.000 1.103 73 F CA -1.294 56.835 58.000 0.216 0.000 0.979 73 F CB 0.797 39.880 39.000 0.139 0.000 1.137 73 F HN -0.306 nan 8.300 nan 0.000 0.463 74 F N 0.976 121.176 119.950 0.417 0.000 2.406 74 F HA 0.504 5.020 4.527 -0.018 0.000 0.327 74 F C 0.840 176.874 175.800 0.390 0.000 1.153 74 F CA -1.063 57.150 58.000 0.355 0.000 1.218 74 F CB 1.043 40.206 39.000 0.272 0.000 1.215 74 F HN 0.480 nan 8.300 nan 0.000 0.570 75 T N -1.808 113.012 114.554 0.444 0.000 2.887 75 T HA 0.546 4.885 4.350 -0.019 0.000 0.292 75 T C -0.764 174.024 174.700 0.147 0.000 1.087 75 T CA -1.019 61.251 62.100 0.284 0.000 1.009 75 T CB 2.144 71.147 68.868 0.225 0.000 1.203 75 T HN 0.412 nan 8.240 nan 0.000 0.518 76 D N 0.023 120.465 120.400 0.071 0.000 2.433 76 D HA 0.225 4.853 4.640 -0.019 0.000 0.255 76 D C 1.654 177.866 176.300 -0.147 0.000 1.226 76 D CA -0.091 53.898 54.000 -0.019 0.000 1.015 76 D CB 0.218 41.005 40.800 -0.021 0.000 1.091 76 D HN 0.579 nan 8.370 nan 0.000 0.527 77 S N -1.677 113.912 115.700 -0.185 0.000 2.442 77 S HA -0.021 4.438 4.470 -0.019 0.000 0.236 77 S C 1.844 176.068 174.600 -0.628 0.000 1.007 77 S CA 0.563 58.584 58.200 -0.299 0.000 0.965 77 S CB -0.899 62.194 63.200 -0.178 0.000 0.773 77 S HN 0.709 nan 8.310 nan 0.000 0.504 78 G N -0.706 107.802 108.800 -0.487 0.000 3.141 78 G HA2 0.393 4.342 3.960 -0.019 0.000 0.218 78 G HA3 0.393 4.342 3.960 -0.019 0.000 0.218 78 G C 0.202 174.861 174.900 -0.402 0.000 1.170 78 G CA -0.301 44.497 45.100 -0.503 0.000 0.769 78 G HN 0.440 nan 8.290 nan 0.000 0.546 79 F N -1.237 118.655 119.950 -0.097 0.000 2.746 79 F HA -0.155 4.360 4.527 -0.021 0.000 0.315 79 F C 0.910 176.629 175.800 -0.134 0.000 0.666 79 F CA 0.539 58.476 58.000 -0.104 0.000 1.381 79 F CB -1.749 37.175 39.000 -0.127 0.000 1.739 79 F HN 0.267 nan 8.300 nan 0.000 0.322 80 K N 1.145 121.551 120.400 0.009 0.000 2.249 80 K HA 0.457 4.766 4.320 -0.019 0.000 0.280 80 K C 0.164 176.774 176.600 0.017 0.000 1.033 80 K CA -0.568 55.697 56.287 -0.036 0.000 0.946 80 K CB 0.461 32.966 32.500 0.009 0.000 1.005 80 K HN -0.127 nan 8.250 nan 0.000 0.469 81 F N 4.888 124.917 119.950 0.131 0.000 2.607 81 F HA 0.066 4.582 4.527 -0.018 0.000 0.374 81 F C 0.807 176.672 175.800 0.108 0.000 1.104 81 F CA -0.140 57.934 58.000 0.123 0.000 1.296 81 F CB 0.029 39.051 39.000 0.037 0.000 1.085 81 F HN 0.345 nan 8.300 nan 0.000 0.584 82 I N 0.198 120.989 120.570 0.368 0.000 3.170 82 I HA 0.519 4.677 4.170 -0.019 0.000 0.312 82 I C 0.452 176.698 176.117 0.214 0.000 1.085 82 I CA -1.142 60.305 61.300 0.246 0.000 0.999 82 I CB 2.002 40.135 38.000 0.221 0.000 1.233 82 I HN 0.252 nan 8.210 nan 0.000 0.467 83 K N 1.877 122.356 120.400 0.132 0.000 2.426 83 K HA 0.168 4.477 4.320 -0.019 0.000 0.193 83 K C 1.414 178.008 176.600 -0.010 0.000 1.028 83 K CA 0.745 57.064 56.287 0.052 0.000 1.047 83 K CB 0.162 32.675 32.500 0.021 0.000 0.821 83 K HN 0.958 nan 8.250 nan 0.000 0.513 84 G N 0.943 109.769 108.800 0.044 0.000 2.985 84 G HA2 0.066 4.014 3.960 -0.019 0.000 0.209 84 G HA3 0.066 4.014 3.960 -0.019 0.000 0.209 84 G C 0.759 175.375 174.900 -0.473 0.000 1.165 84 G CA 0.192 45.264 45.100 -0.045 0.000 0.776 84 G HN 0.283 nan 8.290 nan 0.000 0.541 85 G N -0.379 107.933 108.800 -0.812 0.000 2.531 85 G HA2 0.424 4.372 3.960 -0.019 0.000 0.253 85 G HA3 0.424 4.372 3.960 -0.019 0.000 0.253 85 G C 1.464 175.664 174.900 -1.166 0.000 1.439 85 G CA 0.376 44.627 45.100 -1.415 0.000 1.056 85 G HN 0.278 nan 8.290 nan 0.000 0.555 86 A N -1.173 121.126 122.820 -0.868 0.000 1.972 86 A HA 0.464 4.772 4.320 -0.019 0.000 0.219 86 A C 1.402 178.557 177.584 -0.714 0.000 1.169 86 A CA 2.284 53.760 52.037 -0.935 0.000 0.635 86 A CB -0.563 18.215 19.000 -0.370 0.000 0.810 86 A HN 1.699 nan 8.150 nan 0.000 0.446 87 A N -0.776 121.733 122.820 -0.517 0.000 2.564 87 A HA 0.618 4.927 4.320 -0.019 0.000 0.288 87 A C -1.518 176.023 177.584 -0.073 0.000 1.164 87 A CA -0.090 51.751 52.037 -0.326 0.000 0.712 87 A CB 0.942 19.735 19.000 -0.344 0.000 1.303 87 A HN 0.441 nan 8.150 nan 0.000 0.418 88 D N -1.178 119.231 120.400 0.015 0.000 2.671 88 D HA 0.533 5.161 4.640 -0.019 0.000 0.232 88 D C -1.287 174.995 176.300 -0.031 0.000 1.114 88 D CA -0.669 53.350 54.000 0.033 0.000 0.858 88 D CB 2.021 42.785 40.800 -0.060 0.000 1.544 88 D HN 0.679 nan 8.370 nan 0.000 0.471 89 V N 0.712 120.464 119.914 -0.270 0.000 2.487 89 V HA 0.823 4.931 4.120 -0.019 0.000 0.298 89 V C -1.125 174.806 176.094 -0.272 0.000 1.028 89 V CA -0.403 61.650 62.300 -0.411 0.000 0.860 89 V CB 1.005 32.264 31.823 -0.942 0.000 0.991 89 V HN 1.024 nan 8.190 nan 0.000 0.427 90 A N 7.219 129.921 122.820 -0.197 0.000 2.343 90 A HA 0.878 5.187 4.320 -0.019 0.000 0.316 90 A C -1.181 176.343 177.584 -0.101 0.000 1.104 90 A CA -0.659 51.309 52.037 -0.115 0.000 0.768 90 A CB 1.267 20.219 19.000 -0.080 0.000 1.213 90 A HN 0.876 nan 8.150 nan 0.000 0.456 91 L N 1.969 123.161 121.223 -0.052 0.000 2.296 91 L HA 0.454 4.782 4.340 -0.019 0.000 0.286 91 L C -0.810 176.056 176.870 -0.007 0.000 1.023 91 L CA -0.643 54.184 54.840 -0.021 0.000 0.812 91 L CB 1.766 43.831 42.059 0.009 0.000 1.223 91 L HN 0.713 nan 8.230 nan 0.000 0.421 92 D N 2.465 122.865 120.400 0.001 0.000 2.440 92 D HA 0.130 4.759 4.640 -0.019 0.000 0.239 92 D C 0.648 176.956 176.300 0.012 0.000 1.084 92 D CA -0.456 53.545 54.000 0.001 0.000 0.843 92 D CB 1.620 42.416 40.800 -0.007 0.000 1.097 92 D HN 0.436 nan 8.370 nan 0.000 0.531 93 K N 2.819 123.222 120.400 0.004 0.000 2.097 93 K HA -0.187 4.122 4.320 -0.019 0.000 0.206 93 K C 1.186 177.787 176.600 0.002 0.000 1.049 93 K CA 1.256 57.543 56.287 0.001 0.000 0.933 93 K CB 0.259 32.753 32.500 -0.011 0.000 0.717 93 K HN 0.321 nan 8.250 nan 0.000 0.442 94 E N 0.384 120.583 120.200 -0.001 0.000 2.051 94 E HA -0.123 4.215 4.350 -0.019 0.000 0.192 94 E C 1.728 178.329 176.600 0.001 0.000 0.991 94 E CA 1.865 58.264 56.400 -0.003 0.000 0.799 94 E CB 0.079 29.775 29.700 -0.007 0.000 0.748 94 E HN 0.450 nan 8.360 nan 0.000 0.449 95 S N -0.423 115.278 115.700 0.002 0.000 2.593 95 S HA 0.095 4.553 4.470 -0.019 0.000 0.217 95 S C 0.353 174.963 174.600 0.017 0.000 0.966 95 S CA 0.101 58.301 58.200 0.001 0.000 0.914 95 S CB -0.096 63.098 63.200 -0.010 0.000 0.776 95 S HN 0.206 nan 8.310 nan 0.000 0.523 96 K N 0.783 121.207 120.400 0.041 0.000 3.096 96 K HA -0.118 4.191 4.320 -0.019 0.000 0.266 96 K C -0.817 175.884 176.600 0.169 0.000 1.043 96 K CA 0.843 57.189 56.287 0.098 0.000 0.758 96 K CB -2.317 30.235 32.500 0.088 0.000 1.260 96 K HN 0.485 nan 8.250 nan 0.000 0.481 97 T N -0.042 114.586 114.554 0.122 0.000 2.893 97 T HA 0.664 5.003 4.350 -0.019 0.000 0.291 97 T C -0.812 173.946 174.700 0.097 0.000 1.028 97 T CA -0.373 61.764 62.100 0.063 0.000 0.995 97 T CB 1.842 70.693 68.868 -0.028 0.000 1.051 97 T HN 0.297 nan 8.240 nan 0.000 0.470 98 A N 1.992 124.839 122.820 0.045 0.000 2.303 98 A HA 0.711 5.019 4.320 -0.019 0.000 0.320 98 A C -0.067 177.431 177.584 -0.144 0.000 1.192 98 A CA -0.660 51.342 52.037 -0.058 0.000 0.821 98 A CB 0.670 19.606 19.000 -0.106 0.000 1.188 98 A HN 0.697 nan 8.150 nan 0.000 0.492 99 T N 3.107 117.571 114.554 -0.150 0.000 2.756 99 T HA 0.502 4.841 4.350 -0.019 0.000 0.290 99 T C -0.450 174.157 174.700 -0.155 0.000 0.985 99 T CA 0.031 62.054 62.100 -0.128 0.000 0.955 99 T CB 0.270 69.083 68.868 -0.091 0.000 0.930 99 T HN 0.368 nan 8.240 nan 0.000 0.451 100 I N 3.352 123.837 120.570 -0.142 0.000 2.321 100 I HA 0.315 4.473 4.170 -0.019 0.000 0.291 100 I C 0.529 176.573 176.117 -0.122 0.000 0.998 100 I CA -0.231 60.979 61.300 -0.150 0.000 1.227 100 I CB 1.456 39.279 38.000 -0.295 0.000 1.368 100 I HN 0.524 nan 8.210 nan 0.000 0.466 101 T N 7.224 121.714 114.554 -0.106 0.000 2.809 101 T HA 0.559 4.898 4.350 -0.019 0.000 0.296 101 T C 0.073 174.680 174.700 -0.155 0.000 1.015 101 T CA -0.565 61.468 62.100 -0.113 0.000 0.954 101 T CB 0.324 69.133 68.868 -0.099 0.000 0.950 101 T HN 0.228 nan 8.240 nan 0.000 0.450 102 L N 2.870 123.990 121.223 -0.172 0.000 2.439 102 L HA 0.410 4.738 4.340 -0.019 0.000 0.269 102 L C 1.211 177.943 176.870 -0.231 0.000 1.179 102 L CA -0.754 53.951 54.840 -0.225 0.000 0.828 102 L CB 0.425 42.366 42.059 -0.196 0.000 1.106 102 L HN 0.384 nan 8.230 nan 0.000 0.467 103 R N 1.605 121.913 120.500 -0.320 0.000 2.623 103 R HA 0.003 4.332 4.340 -0.019 0.000 0.271 103 R C 1.094 177.270 176.300 -0.207 0.000 1.043 103 R CA -0.136 55.779 56.100 -0.309 0.000 1.083 103 R CB 0.588 30.602 30.300 -0.478 0.000 0.974 103 R HN 0.541 nan 8.270 nan 0.000 0.436 104 K N 1.193 121.502 120.400 -0.151 0.000 2.089 104 K HA -0.205 4.103 4.320 -0.019 0.000 0.210 104 K C 0.483 177.035 176.600 -0.080 0.000 1.048 104 K CA 2.039 58.267 56.287 -0.098 0.000 0.926 104 K CB -0.025 32.431 32.500 -0.073 0.000 0.714 104 K HN 0.635 nan 8.250 nan 0.000 0.448 105 D N 0.072 120.424 120.400 -0.078 0.000 2.772 105 D HA 0.067 4.695 4.640 -0.019 0.000 0.272 105 D C -0.420 175.863 176.300 -0.028 0.000 1.314 105 D CA -0.477 53.502 54.000 -0.034 0.000 0.835 105 D CB -0.268 40.538 40.800 0.010 0.000 1.080 105 D HN -0.074 nan 8.370 nan 0.000 0.482 106 L N 0.521 121.675 121.223 -0.116 0.000 2.361 106 L HA 0.405 4.733 4.340 -0.019 0.000 0.278 106 L C -0.434 176.353 176.870 -0.138 0.000 1.113 106 L CA 0.516 55.276 54.840 -0.133 0.000 0.849 106 L CB 0.208 42.098 42.059 -0.282 0.000 1.155 106 L HN -0.055 nan 8.230 nan 0.000 0.452 107 K N 3.576 123.922 120.400 -0.091 0.000 2.477 107 K HA 0.433 4.742 4.320 -0.019 0.000 0.255 107 K C -1.414 175.103 176.600 -0.139 0.000 0.952 107 K CA -0.502 55.715 56.287 -0.117 0.000 0.826 107 K CB 1.279 33.769 32.500 -0.016 0.000 1.331 107 K HN 0.491 nan 8.250 nan 0.000 0.437 108 W N 0.717 122.011 121.300 -0.010 0.000 2.093 108 W HA 0.012 4.660 4.660 -0.019 0.000 0.352 108 W C 1.534 178.034 176.519 -0.031 0.000 1.294 108 W CA -0.104 57.227 57.345 -0.024 0.000 1.290 108 W CB 0.572 29.979 29.460 -0.087 0.000 1.149 108 W HN 0.707 nan 8.180 nan 0.000 0.606 109 S N -0.365 115.504 115.700 0.281 0.000 2.507 109 S HA -0.214 4.245 4.470 -0.019 0.000 0.235 109 S C 0.944 175.665 174.600 0.201 0.000 0.988 109 S CA 1.260 59.600 58.200 0.234 0.000 0.944 109 S CB -0.409 62.875 63.200 0.140 0.000 0.762 109 S HN 0.639 nan 8.310 nan 0.000 0.526 110 D N 0.266 120.675 120.400 0.016 0.000 2.340 110 D HA 0.236 4.864 4.640 -0.019 0.000 0.217 110 D C 1.359 177.442 176.300 -0.362 0.000 1.081 110 D CA 0.502 54.456 54.000 -0.075 0.000 0.842 110 D CB -0.464 40.255 40.800 -0.136 0.000 0.934 110 D HN 0.486 nan 8.370 nan 0.000 0.511 111 G N 0.593 108.844 108.800 -0.916 0.000 2.199 111 G HA2 -0.300 3.648 3.960 -0.019 0.000 0.254 111 G HA3 -0.300 3.648 3.960 -0.019 0.000 0.254 111 G C 0.398 174.995 174.900 -0.504 0.000 0.982 111 G CA 0.445 44.656 45.100 -1.483 0.000 0.632 111 G HN 0.859 nan 8.290 nan 0.000 0.529 112 S N 0.101 115.673 115.700 -0.213 0.000 2.564 112 S HA 0.528 4.986 4.470 -0.019 0.000 0.278 112 S C 0.186 174.833 174.600 0.079 0.000 1.333 112 S CA 0.283 58.471 58.200 -0.020 0.000 1.048 112 S CB 1.924 65.146 63.200 0.036 0.000 0.900 112 S HN 0.526 nan 8.310 nan 0.000 0.505 113 E N 1.878 122.111 120.200 0.055 0.000 2.415 113 E HA 0.223 4.562 4.350 -0.019 0.000 0.263 113 E C -0.725 175.930 176.600 0.093 0.000 0.995 113 E CA -0.128 56.291 56.400 0.030 0.000 0.915 113 E CB 0.525 30.232 29.700 0.012 0.000 0.951 113 E HN 0.538 nan 8.360 nan 0.000 0.449 114 V N 5.194 125.048 119.914 -0.100 0.000 2.555 114 V HA 0.272 4.380 4.120 -0.019 0.000 0.286 114 V C 0.597 176.676 176.094 -0.025 0.000 1.044 114 V CA 0.137 62.353 62.300 -0.138 0.000 1.026 114 V CB 0.723 32.262 31.823 -0.473 0.000 0.981 114 V HN 0.899 nan 8.190 nan 0.000 0.480 115 T N 1.595 116.192 114.554 0.073 0.000 2.910 115 T HA 0.688 5.026 4.350 -0.019 0.000 0.287 115 T C 1.071 175.779 174.700 0.013 0.000 1.050 115 T CA -0.106 62.003 62.100 0.015 0.000 1.011 115 T CB 1.956 70.824 68.868 -0.001 0.000 1.195 115 T HN 0.609 nan 8.240 nan 0.000 0.540 116 A N 0.489 123.260 122.820 -0.081 0.000 1.972 116 A HA -0.031 4.278 4.320 -0.019 0.000 0.219 116 A C 2.184 179.694 177.584 -0.124 0.000 1.169 116 A CA 2.128 54.121 52.037 -0.072 0.000 0.635 116 A CB -0.982 17.916 19.000 -0.169 0.000 0.810 116 A HN 0.886 nan 8.150 nan 0.000 0.446 117 K N 0.453 120.659 120.400 -0.322 0.000 2.097 117 K HA -0.159 4.150 4.320 -0.019 0.000 0.206 117 K C 1.230 177.860 176.600 0.049 0.000 1.049 117 K CA 1.880 58.013 56.287 -0.257 0.000 0.933 117 K CB -0.281 32.036 32.500 -0.304 0.000 0.717 117 K HN 0.428 nan 8.250 nan 0.000 0.442 118 D N -0.650 119.864 120.400 0.190 0.000 2.117 118 D HA -0.182 4.447 4.640 -0.019 0.000 0.197 118 D C 1.698 178.253 176.300 0.424 0.000 0.987 118 D CA 1.092 55.325 54.000 0.389 0.000 0.829 118 D CB -0.353 40.767 40.800 0.533 0.000 0.961 118 D HN 0.287 nan 8.370 nan 0.000 0.460 119 Y N 1.874 122.319 120.300 0.243 0.000 2.200 119 Y HA -0.161 4.377 4.550 -0.019 0.000 0.290 119 Y C 2.183 178.307 175.900 0.374 0.000 1.137 119 Y CA 1.422 59.683 58.100 0.269 0.000 1.163 119 Y CB -0.007 38.585 38.460 0.219 0.000 0.988 119 Y HN -0.147 nan 8.280 nan 0.000 0.518 120 E N -0.339 120.026 120.200 0.275 0.000 2.110 120 E HA -0.236 4.103 4.350 -0.019 0.000 0.193 120 E C 2.058 178.797 176.600 0.232 0.000 0.988 120 E CA 1.074 57.606 56.400 0.219 0.000 0.804 120 E CB -0.628 29.278 29.700 0.344 0.000 0.745 120 E HN 0.504 nan 8.360 nan 0.000 0.458 121 F N 1.690 121.678 119.950 0.063 0.000 2.269 121 F HA -0.122 4.394 4.527 -0.019 0.000 0.301 121 F C 2.243 178.065 175.800 0.037 0.000 1.082 121 F CA 1.497 59.520 58.000 0.039 0.000 1.360 121 F CB -0.518 38.529 39.000 0.078 0.000 1.041 121 F HN -0.043 nan 8.300 nan 0.000 0.512 122 T N -0.636 113.915 114.554 -0.005 0.000 2.788 122 T HA -0.228 4.110 4.350 -0.019 0.000 0.268 122 T C 1.683 176.241 174.700 -0.237 0.000 1.044 122 T CA 1.839 63.841 62.100 -0.164 0.000 1.139 122 T CB -0.532 68.244 68.868 -0.154 0.000 0.867 122 T HN 0.312 nan 8.240 nan 0.000 0.454 123 Y N 1.639 121.847 120.300 -0.154 0.000 2.181 123 Y HA -0.082 4.457 4.550 -0.019 0.000 0.288 123 Y C 2.571 178.463 175.900 -0.013 0.000 1.146 123 Y CA 1.036 59.088 58.100 -0.080 0.000 1.164 123 Y CB -0.250 38.142 38.460 -0.115 0.000 0.982 123 Y HN 0.324 nan 8.280 nan 0.000 0.515 124 E N -0.547 119.690 120.200 0.063 0.000 2.077 124 E HA -0.206 4.132 4.350 -0.019 0.000 0.193 124 E C 2.274 178.835 176.600 -0.065 0.000 0.989 124 E CA 1.903 58.386 56.400 0.139 0.000 0.800 124 E CB -0.389 29.407 29.700 0.161 0.000 0.746 124 E HN 0.590 nan 8.360 nan 0.000 0.452 125 T N -0.140 114.099 114.554 -0.525 0.000 2.746 125 T HA -0.129 4.209 4.350 -0.019 0.000 0.267 125 T C 2.032 176.631 174.700 -0.168 0.000 1.039 125 T CA 0.946 62.616 62.100 -0.716 0.000 1.142 125 T CB -0.380 68.043 68.868 -0.741 0.000 0.866 125 T HN 0.057 nan 8.240 nan 0.000 0.444 126 I N 1.745 122.290 120.570 -0.041 0.000 2.233 126 I HA 0.049 4.207 4.170 -0.019 0.000 0.243 126 I C 3.228 179.522 176.117 0.296 0.000 1.093 126 I CA 1.103 62.472 61.300 0.114 0.000 1.380 126 I CB -0.548 37.488 38.000 0.060 0.000 1.067 126 I HN 0.344 nan 8.210 nan 0.000 0.413 127 A N 0.162 123.217 122.820 0.392 0.000 1.929 127 A HA -0.115 4.194 4.320 -0.019 0.000 0.216 127 A C 1.350 179.176 177.584 0.404 0.000 1.176 127 A CA 0.975 53.328 52.037 0.527 0.000 0.628 127 A CB -0.498 18.925 19.000 0.706 0.000 0.816 127 A HN 0.406 nan 8.150 nan 0.000 0.444 128 N N 0.072 119.001 118.700 0.382 0.000 2.422 128 N HA 0.247 4.976 4.740 -0.019 0.000 0.264 128 N C -2.288 173.321 175.510 0.166 0.000 1.063 128 N CA -2.142 51.019 53.050 0.185 0.000 0.959 128 N CB 1.394 40.075 38.487 0.324 0.000 1.087 128 N HN -0.082 nan 8.380 nan 0.000 0.483 129 P HA -0.010 nan 4.420 nan 0.000 0.222 129 P C 0.734 178.011 177.300 -0.038 0.000 1.147 129 P CA 0.703 63.786 63.100 -0.029 0.000 0.790 129 P CB 0.216 31.831 31.700 -0.141 0.000 0.780 130 A N -1.018 121.732 122.820 -0.117 0.000 1.972 130 A HA -0.217 4.091 4.320 -0.019 0.000 0.219 130 A C 1.758 179.210 177.584 -0.220 0.000 1.169 130 A CA 1.385 53.295 52.037 -0.212 0.000 0.635 130 A CB -1.803 17.000 19.000 -0.327 0.000 0.810 130 A HN 0.183 nan 8.150 nan 0.000 0.446 131 Y N -0.782 119.529 120.300 0.020 0.000 2.352 131 Y HA 0.225 4.764 4.550 -0.019 0.000 0.292 131 Y C 2.017 177.930 175.900 0.021 0.000 1.136 131 Y CA 0.534 58.648 58.100 0.023 0.000 1.227 131 Y CB -0.511 37.961 38.460 0.019 0.000 0.991 131 Y HN 0.457 nan 8.280 nan 0.000 0.545 132 G N 0.424 109.310 108.800 0.142 0.000 2.160 132 G HA2 -0.306 3.643 3.960 -0.019 0.000 0.244 132 G HA3 -0.306 3.643 3.960 -0.019 0.000 0.244 132 G C 0.261 175.223 174.900 0.103 0.000 1.022 132 G CA 0.313 45.470 45.100 0.095 0.000 0.741 132 G HN 0.462 nan 8.290 nan 0.000 0.508 133 S N -0.796 114.982 115.700 0.130 0.000 2.576 133 S HA 0.418 4.876 4.470 -0.019 0.000 0.276 133 S C 0.996 175.667 174.600 0.118 0.000 1.339 133 S CA 0.386 58.654 58.200 0.113 0.000 1.039 133 S CB 0.759 64.029 63.200 0.118 0.000 0.902 133 S HN 0.180 nan 8.310 nan 0.000 0.516 134 D N 2.513 122.973 120.400 0.099 0.000 2.349 134 D HA 0.169 4.798 4.640 -0.019 0.000 0.214 134 D C 1.138 177.507 176.300 0.115 0.000 1.063 134 D CA 0.292 54.354 54.000 0.104 0.000 0.847 134 D CB 0.182 41.029 40.800 0.079 0.000 0.933 134 D HN 0.537 nan 8.370 nan 0.000 0.513 135 R N -0.305 120.263 120.500 0.114 0.000 2.359 135 R HA 0.075 4.404 4.340 -0.019 0.000 0.231 135 R C 0.548 176.902 176.300 0.090 0.000 0.913 135 R CA -0.435 55.711 56.100 0.077 0.000 1.075 135 R CB 0.455 30.776 30.300 0.033 0.000 1.087 135 R HN 0.186 nan 8.270 nan 0.000 0.515 136 W N 3.420 124.703 121.300 -0.028 0.000 2.223 136 W HA 0.004 4.653 4.660 -0.019 0.000 0.334 136 W C -0.386 176.085 176.519 -0.080 0.000 1.334 136 W CA 0.799 58.093 57.345 -0.086 0.000 1.246 136 W CB 0.664 30.029 29.460 -0.157 0.000 1.184 136 W HN -0.039 nan 8.180 nan 0.000 0.563 137 T N 1.996 116.077 114.554 -0.788 0.000 2.924 137 T HA 0.164 4.502 4.350 -0.019 0.000 0.291 137 T C 0.486 174.587 174.700 -0.999 0.000 1.045 137 T CA -0.725 60.986 62.100 -0.648 0.000 1.015 137 T CB 1.909 70.530 68.868 -0.412 0.000 1.103 137 T HN 0.380 nan 8.240 nan 0.000 0.496 138 D N 0.825 120.969 120.400 -0.425 0.000 2.310 138 D HA -0.001 4.628 4.640 -0.019 0.000 0.212 138 D C 1.980 178.149 176.300 -0.218 0.000 0.965 138 D CA 0.663 54.539 54.000 -0.206 0.000 0.879 138 D CB -0.096 40.696 40.800 -0.013 0.000 0.921 138 D HN 0.536 nan 8.370 nan 0.000 0.510 139 S N 0.265 115.786 115.700 -0.298 0.000 2.382 139 S HA -0.077 4.382 4.470 -0.019 0.000 0.228 139 S C 2.074 176.599 174.600 -0.125 0.000 1.027 139 S CA 0.477 58.551 58.200 -0.209 0.000 0.991 139 S CB -0.065 62.851 63.200 -0.474 0.000 0.823 139 S HN 0.330 nan 8.310 nan 0.000 0.469 140 L N 1.037 122.034 121.223 -0.376 0.000 2.362 140 L HA -0.065 4.263 4.340 -0.019 0.000 0.219 140 L C 2.582 179.398 176.870 -0.090 0.000 1.134 140 L CA 0.761 55.418 54.840 -0.305 0.000 0.807 140 L CB -0.658 40.970 42.059 -0.718 0.000 0.927 140 L HN 0.297 nan 8.230 nan 0.000 0.447 141 A N 0.477 123.266 122.820 -0.051 0.000 2.019 141 A HA -0.244 4.064 4.320 -0.019 0.000 0.219 141 A C 2.028 179.713 177.584 0.169 0.000 1.164 141 A CA 1.880 54.023 52.037 0.176 0.000 0.644 141 A CB -0.678 18.448 19.000 0.210 0.000 0.805 141 A HN 0.477 nan 8.150 nan 0.000 0.449 142 N N -0.369 118.434 118.700 0.172 0.000 2.443 142 N HA -0.030 4.698 4.740 -0.019 0.000 0.184 142 N C 0.276 175.953 175.510 0.279 0.000 1.037 142 N CA 0.487 53.668 53.050 0.218 0.000 0.896 142 N CB -0.414 38.217 38.487 0.241 0.000 0.959 142 N HN 0.533 nan 8.380 nan 0.000 0.442 143 I N 0.854 121.577 120.570 0.255 0.000 2.441 143 I HA 0.035 4.194 4.170 -0.019 0.000 0.287 143 I C -0.037 176.112 176.117 0.053 0.000 1.049 143 I CA -0.724 60.647 61.300 0.119 0.000 1.381 143 I CB 1.370 39.396 38.000 0.044 0.000 1.409 143 I HN -0.217 nan 8.210 nan 0.000 0.523 144 V N 6.658 126.558 119.914 -0.023 0.000 2.485 144 V HA 0.136 4.244 4.120 -0.019 0.000 0.287 144 V C 1.231 177.321 176.094 -0.006 0.000 1.022 144 V CA 1.243 63.539 62.300 -0.006 0.000 1.067 144 V CB 0.182 31.980 31.823 -0.041 0.000 0.967 144 V HN 1.178 nan 8.190 nan 0.000 0.479 145 G N 4.153 112.982 108.800 0.049 0.000 2.179 145 G HA2 -0.273 3.676 3.960 -0.019 0.000 0.260 145 G HA3 -0.273 3.676 3.960 -0.019 0.000 0.260 145 G C 0.598 175.585 174.900 0.145 0.000 0.977 145 G CA 0.402 45.547 45.100 0.074 0.000 0.641 145 G HN 0.674 nan 8.290 nan 0.000 0.533 146 L N 1.500 122.827 121.223 0.174 0.000 2.083 146 L HA 0.158 4.487 4.340 -0.019 0.000 0.209 146 L C 2.717 179.856 176.870 0.448 0.000 1.083 146 L CA 3.013 58.038 54.840 0.308 0.000 0.752 146 L CB -0.836 41.409 42.059 0.310 0.000 0.899 146 L HN 0.272 nan 8.230 nan 0.000 0.433 147 S N -0.373 115.562 115.700 0.393 0.000 2.368 147 S HA -0.169 4.289 4.470 -0.019 0.000 0.225 147 S C 1.548 176.272 174.600 0.207 0.000 1.030 147 S CA 1.328 59.741 58.200 0.355 0.000 0.999 147 S CB -0.373 63.005 63.200 0.295 0.000 0.844 147 S HN 0.512 nan 8.310 nan 0.000 0.459 148 D N 0.067 120.570 120.400 0.173 0.000 2.144 148 D HA -0.086 4.543 4.640 -0.019 0.000 0.199 148 D C 1.583 177.947 176.300 0.108 0.000 0.984 148 D CA 0.871 54.936 54.000 0.108 0.000 0.834 148 D CB -0.348 40.510 40.800 0.097 0.000 0.955 148 D HN 0.486 nan 8.370 nan 0.000 0.465 149 Y N 0.633 120.977 120.300 0.073 0.000 2.181 149 Y HA -0.251 4.288 4.550 -0.019 0.000 0.288 149 Y C 2.434 178.363 175.900 0.047 0.000 1.146 149 Y CA 1.934 60.076 58.100 0.071 0.000 1.164 149 Y CB -0.424 38.100 38.460 0.107 0.000 0.982 149 Y HN 0.068 nan 8.280 nan 0.000 0.515 150 H N -0.464 118.564 119.070 -0.069 0.000 2.421 150 H HA -0.098 4.446 4.556 -0.019 0.000 0.298 150 H C 2.011 177.133 175.328 -0.343 0.000 1.087 150 H CA 2.176 58.026 56.048 -0.331 0.000 1.330 150 H CB -0.357 28.968 29.762 -0.729 0.000 1.388 150 H HN 0.418 nan 8.280 nan 0.000 0.526 151 T N -3.951 110.421 114.554 -0.304 0.000 3.081 151 T HA 0.232 4.570 4.350 -0.019 0.000 0.250 151 T C 1.742 176.300 174.700 -0.236 0.000 1.100 151 T CA 0.493 62.409 62.100 -0.306 0.000 1.038 151 T CB -0.115 68.656 68.868 -0.161 0.000 0.962 151 T HN 0.565 nan 8.240 nan 0.000 0.516 152 G N 1.540 110.199 108.800 -0.235 0.000 2.179 152 G HA2 -0.320 3.629 3.960 -0.019 0.000 0.260 152 G HA3 -0.320 3.629 3.960 -0.019 0.000 0.260 152 G C 0.792 175.630 174.900 -0.104 0.000 0.977 152 G CA 0.501 45.485 45.100 -0.194 0.000 0.641 152 G HN 0.547 nan 8.290 nan 0.000 0.533 153 K N 0.114 120.473 120.400 -0.068 0.000 2.147 153 K HA 0.360 4.668 4.320 -0.019 0.000 0.205 153 K C 1.402 178.006 176.600 0.006 0.000 1.049 153 K CA 1.367 57.640 56.287 -0.023 0.000 0.936 153 K CB -0.022 32.474 32.500 -0.006 0.000 0.722 153 K HN 0.796 nan 8.250 nan 0.000 0.446 154 A N -0.009 122.829 122.820 0.030 0.000 2.371 154 A HA 0.325 4.633 4.320 -0.019 0.000 0.311 154 A C 0.023 177.683 177.584 0.127 0.000 1.068 154 A CA -0.731 51.354 52.037 0.081 0.000 0.744 154 A CB 1.208 20.278 19.000 0.117 0.000 1.239 154 A HN -0.122 nan 8.150 nan 0.000 0.435 155 K N 0.475 120.949 120.400 0.124 0.000 2.211 155 K HA -0.006 4.302 4.320 -0.019 0.000 0.203 155 K C 1.086 177.863 176.600 0.295 0.000 1.050 155 K CA 1.829 58.216 56.287 0.166 0.000 0.945 155 K CB -0.324 32.240 32.500 0.106 0.000 0.732 155 K HN 0.943 nan 8.250 nan 0.000 0.451 156 T N -2.879 111.817 114.554 0.236 0.000 2.831 156 T HA 0.639 4.977 4.350 -0.019 0.000 0.287 156 T C -0.138 174.588 174.700 0.044 0.000 1.070 156 T CA -0.892 61.278 62.100 0.118 0.000 1.010 156 T CB 1.549 70.441 68.868 0.041 0.000 1.264 156 T HN -0.077 nan 8.240 nan 0.000 0.532 157 I N 2.804 123.290 120.570 -0.140 0.000 2.371 157 I HA 0.216 4.374 4.170 -0.019 0.000 0.282 157 I C 1.571 177.597 176.117 -0.151 0.000 1.031 157 I CA -0.730 60.474 61.300 -0.160 0.000 1.180 157 I CB 1.580 39.399 38.000 -0.301 0.000 1.336 157 I HN 0.926 nan 8.210 nan 0.000 0.467 158 S N 3.484 119.131 115.700 -0.088 0.000 2.399 158 S HA -0.134 4.325 4.470 -0.019 0.000 0.231 158 S C 1.969 176.479 174.600 -0.150 0.000 1.022 158 S CA 1.062 59.202 58.200 -0.100 0.000 0.983 158 S CB -0.448 62.722 63.200 -0.050 0.000 0.803 158 S HN 0.751 nan 8.310 nan 0.000 0.480 159 G N 0.923 109.628 108.800 -0.159 0.000 2.559 159 G HA2 0.184 4.133 3.960 -0.019 0.000 0.216 159 G HA3 0.184 4.133 3.960 -0.019 0.000 0.216 159 G C 0.494 175.215 174.900 -0.298 0.000 1.126 159 G CA 0.157 45.131 45.100 -0.209 0.000 0.778 159 G HN 0.559 nan 8.290 nan 0.000 0.543 160 I N 1.697 122.063 120.570 -0.340 0.000 2.339 160 I HA 0.369 4.528 4.170 -0.019 0.000 0.290 160 I C 0.010 175.782 176.117 -0.574 0.000 0.994 160 I CA -0.473 60.567 61.300 -0.434 0.000 1.191 160 I CB 2.036 39.756 38.000 -0.467 0.000 1.343 160 I HN 0.022 nan 8.210 nan 0.000 0.458 161 T N 2.164 116.360 114.554 -0.597 0.000 2.901 161 T HA 0.679 5.018 4.350 -0.019 0.000 0.293 161 T C -0.836 173.445 174.700 -0.699 0.000 1.084 161 T CA -0.714 60.962 62.100 -0.707 0.000 1.008 161 T CB 1.686 70.349 68.868 -0.342 0.000 1.170 161 T HN 0.118 nan 8.240 nan 0.000 0.509 162 F N 0.944 120.873 119.950 -0.034 0.000 2.445 162 F HA 0.485 5.000 4.527 -0.019 0.000 0.348 162 F C -2.009 173.777 175.800 -0.025 0.000 1.125 162 F CA -2.628 55.358 58.000 -0.023 0.000 0.983 162 F CB 1.326 40.319 39.000 -0.012 0.000 1.198 162 F HN 0.349 nan 8.300 nan 0.000 0.436 163 P HA -0.107 nan 4.420 nan 0.000 0.217 163 P C 0.402 177.738 177.300 0.060 0.000 1.150 163 P CA 1.401 64.533 63.100 0.053 0.000 0.832 163 P CB 0.362 32.077 31.700 0.024 0.000 0.787 164 D N -1.123 119.322 120.400 0.073 0.000 2.424 164 D HA 0.291 4.919 4.640 -0.019 0.000 0.220 164 D C 1.089 177.420 176.300 0.051 0.000 1.150 164 D CA 0.405 54.432 54.000 0.045 0.000 0.831 164 D CB 0.415 41.226 40.800 0.019 0.000 0.981 164 D HN 0.090 nan 8.370 nan 0.000 0.500 165 G N 1.629 110.496 108.800 0.113 0.000 2.760 165 G HA2 -0.280 3.668 3.960 -0.019 0.000 0.246 165 G HA3 -0.280 3.668 3.960 -0.019 0.000 0.246 165 G C 0.651 175.500 174.900 -0.084 0.000 1.359 165 G CA -0.453 44.705 45.100 0.096 0.000 0.861 165 G HN 0.151 nan 8.290 nan 0.000 0.541 166 E N 0.623 120.689 120.200 -0.224 0.000 2.110 166 E HA -0.172 4.167 4.350 -0.019 0.000 0.193 166 E C 2.187 178.599 176.600 -0.314 0.000 0.988 166 E CA 1.331 57.411 56.400 -0.534 0.000 0.804 166 E CB -0.120 29.370 29.700 -0.350 0.000 0.745 166 E HN 0.579 nan 8.360 nan 0.000 0.458 167 N N 0.903 119.514 118.700 -0.149 0.000 2.461 167 N HA -0.027 4.702 4.740 -0.019 0.000 0.188 167 N C 0.656 176.125 175.510 -0.068 0.000 1.134 167 N CA 0.476 53.478 53.050 -0.081 0.000 0.878 167 N CB -0.103 38.360 38.487 -0.040 0.000 0.972 167 N HN -0.047 nan 8.380 nan 0.000 0.456 168 G N 0.447 109.198 108.800 -0.082 0.000 2.621 168 G HA2 0.174 4.123 3.960 -0.019 0.000 0.271 168 G HA3 0.174 4.123 3.960 -0.019 0.000 0.271 168 G C 0.555 175.423 174.900 -0.053 0.000 1.236 168 G CA -0.501 44.569 45.100 -0.049 0.000 0.958 168 G HN 0.033 nan 8.290 nan 0.000 0.512 169 K N -0.921 119.455 120.400 -0.039 0.000 2.358 169 K HA 0.201 4.510 4.320 -0.019 0.000 0.197 169 K C 0.104 176.680 176.600 -0.040 0.000 1.025 169 K CA 0.096 56.351 56.287 -0.053 0.000 1.104 169 K CB 0.863 33.321 32.500 -0.070 0.000 0.855 169 K HN 0.171 nan 8.250 nan 0.000 0.531 170 V N 2.057 121.973 119.914 0.003 0.000 2.555 170 V HA 0.440 4.548 4.120 -0.019 0.000 0.302 170 V C -0.430 175.732 176.094 0.112 0.000 1.038 170 V CA -1.006 61.306 62.300 0.020 0.000 0.887 170 V CB 1.806 33.633 31.823 0.006 0.000 0.991 170 V HN -0.063 nan 8.190 nan 0.000 0.434 171 I N 4.572 125.193 120.570 0.084 0.000 2.545 171 I HA 0.548 4.707 4.170 -0.019 0.000 0.292 171 I C -0.182 175.950 176.117 0.025 0.000 1.040 171 I CA -0.555 60.843 61.300 0.163 0.000 1.068 171 I CB 1.977 40.150 38.000 0.288 0.000 1.251 171 I HN 0.307 nan 8.210 nan 0.000 0.424 172 K N 4.734 125.107 120.400 -0.045 0.000 2.244 172 K HA 0.694 5.002 4.320 -0.019 0.000 0.260 172 K C -1.202 175.284 176.600 -0.190 0.000 0.951 172 K CA -0.692 55.525 56.287 -0.116 0.000 0.826 172 K CB 2.386 34.812 32.500 -0.123 0.000 1.108 172 K HN 0.327 nan 8.250 nan 0.000 0.433 173 V N 3.084 122.858 119.914 -0.234 0.000 2.378 173 V HA 0.208 4.317 4.120 -0.019 0.000 0.288 173 V C -0.275 175.459 176.094 -0.601 0.000 1.016 173 V CA -0.885 61.169 62.300 -0.410 0.000 0.840 173 V CB 1.528 33.110 31.823 -0.402 0.000 0.994 173 V HN 0.618 nan 8.190 nan 0.000 0.431 174 Q N 4.037 123.517 119.800 -0.532 0.000 2.314 174 Q HA 0.621 4.949 4.340 -0.019 0.000 0.259 174 Q C -1.431 174.296 176.000 -0.455 0.000 0.951 174 Q CA -0.085 55.471 55.803 -0.411 0.000 0.909 174 Q CB 1.065 29.674 28.738 -0.216 0.000 1.236 174 Q HN 0.548 nan 8.270 nan 0.000 0.444 175 F N 2.032 121.976 119.950 -0.011 0.000 2.470 175 F HA 0.426 4.942 4.527 -0.019 0.000 0.329 175 F C 1.181 176.979 175.800 -0.003 0.000 1.072 175 F CA -0.813 57.191 58.000 0.007 0.000 0.989 175 F CB 1.305 40.311 39.000 0.011 0.000 1.193 175 F HN 0.570 nan 8.300 nan 0.000 0.481 176 K N 0.059 120.580 120.400 0.202 0.000 2.057 176 K HA -0.018 4.290 4.320 -0.019 0.000 0.206 176 K C 0.150 176.798 176.600 0.079 0.000 1.050 176 K CA 1.197 57.550 56.287 0.109 0.000 0.935 176 K CB 0.109 32.662 32.500 0.088 0.000 0.715 176 K HN 0.504 nan 8.250 nan 0.000 0.439 180 P HA -0.097 nan 4.420 nan 0.000 0.222 180 P C 0.749 178.100 177.300 0.085 0.000 1.147 180 P CA 0.740 63.858 63.100 0.031 0.000 0.790 180 P CB 0.308 32.052 31.700 0.072 0.000 0.780 184 Q N 1.697 121.405 119.800 -0.153 0.000 2.312 184 Q HA 0.661 4.990 4.340 -0.019 0.000 0.263 184 Q C -0.287 175.295 176.000 -0.696 0.000 0.995 184 Q CA -0.299 55.284 55.803 -0.366 0.000 0.853 184 Q CB 2.144 30.837 28.738 -0.074 0.000 1.300 184 Q HN 0.346 nan 8.270 nan 0.000 0.448 185 S N 0.257 115.401 115.700 -0.926 0.000 2.572 185 S HA 0.347 4.806 4.470 -0.019 0.000 0.279 185 S C 0.985 175.494 174.600 -0.153 0.000 1.341 185 S CA 1.093 59.042 58.200 -0.419 0.000 1.043 185 S CB 0.100 63.238 63.200 -0.104 0.000 0.887 185 S HN 0.888 nan 8.310 nan 0.000 0.516 186 G N 3.698 112.471 108.800 -0.046 0.000 2.160 186 G HA2 -0.335 3.614 3.960 -0.019 0.000 0.251 186 G HA3 -0.335 3.614 3.960 -0.019 0.000 0.251 186 G C 0.451 175.261 174.900 -0.149 0.000 1.008 186 G CA 0.906 45.950 45.100 -0.093 0.000 0.724 186 G HN 1.011 nan 8.290 nan 0.000 0.514 187 N N -0.610 117.988 118.700 -0.170 0.000 2.188 187 N HA 0.278 5.006 4.740 -0.019 0.000 0.184 187 N C 2.058 177.381 175.510 -0.312 0.000 1.018 187 N CA 2.175 55.124 53.050 -0.168 0.000 0.858 187 N CB -0.360 38.101 38.487 -0.043 0.000 0.989 187 N HN 1.645 nan 8.380 nan 0.000 0.426 188 G N -1.271 107.337 108.800 -0.321 0.000 2.241 188 G HA2 -0.352 3.596 3.960 -0.019 0.000 0.244 188 G HA3 -0.352 3.596 3.960 -0.019 0.000 0.244 188 G C 0.708 175.393 174.900 -0.357 0.000 0.998 188 G CA 0.463 45.344 45.100 -0.365 0.000 0.621 188 G HN 0.379 nan 8.290 nan 0.000 0.519 189 Y N 0.405 120.634 120.300 -0.119 0.000 2.242 189 Y HA 0.327 4.865 4.550 -0.019 0.000 0.291 189 Y C 1.557 177.658 175.900 0.335 0.000 1.137 189 Y CA 1.502 59.612 58.100 0.017 0.000 1.181 189 Y CB -0.283 38.124 38.460 -0.088 0.000 0.989 189 Y HN 0.591 nan 8.280 nan 0.000 0.527 190 F N -2.379 117.804 119.950 0.388 0.000 2.603 190 F HA 0.695 5.211 4.527 -0.018 0.000 0.317 190 F C -1.247 174.756 175.800 0.339 0.000 1.066 190 F CA -2.296 55.989 58.000 0.476 0.000 0.941 190 F CB 0.803 40.171 39.000 0.614 0.000 1.291 190 F HN -0.404 nan 8.300 nan 0.000 0.472 191 L N 1.216 122.729 121.223 0.482 0.000 2.379 191 L HA 0.467 4.795 4.340 -0.019 0.000 0.269 191 L C 0.139 177.332 176.870 0.538 0.000 1.084 191 L CA -0.469 54.498 54.840 0.211 0.000 0.802 191 L CB 1.486 43.355 42.059 -0.317 0.000 1.175 191 L HN 0.800 nan 8.230 nan 0.000 0.448 192 E N 0.269 120.695 120.200 0.376 0.000 2.651 192 E HA 0.109 4.448 4.350 -0.019 0.000 0.208 192 E C -0.424 176.302 176.600 0.211 0.000 0.997 192 E CA -0.105 56.545 56.400 0.417 0.000 1.020 192 E CB 0.905 30.890 29.700 0.474 0.000 1.052 192 E HN 0.750 nan 8.360 nan 0.000 0.465 193 T N -2.168 112.534 114.554 0.247 0.000 2.901 193 T HA 0.649 4.987 4.350 -0.019 0.000 0.293 193 T C -0.233 174.633 174.700 0.278 0.000 1.084 193 T CA -0.902 61.318 62.100 0.199 0.000 1.008 193 T CB 1.888 70.857 68.868 0.169 0.000 1.170 193 T HN -0.048 nan 8.240 nan 0.000 0.509 194 V N -1.505 118.579 119.914 0.283 0.000 2.864 194 V HA 1.010 5.119 4.120 -0.019 0.000 0.314 194 V C -0.226 176.218 176.094 0.584 0.000 1.073 194 V CA -1.278 61.260 62.300 0.397 0.000 0.956 194 V CB 1.014 33.006 31.823 0.282 0.000 1.023 194 V HN 1.513 nan 8.190 nan 0.000 0.435 195 A N 3.596 126.787 122.820 0.617 0.000 2.371 195 A HA 0.949 5.258 4.320 -0.019 0.000 0.311 195 A C -2.941 174.893 177.584 0.417 0.000 1.068 195 A CA -1.960 50.388 52.037 0.517 0.000 0.744 195 A CB 2.035 21.273 19.000 0.398 0.000 1.239 195 A HN 0.736 nan 8.150 nan 0.000 0.435 196 P HA 0.093 nan 4.420 nan 0.000 0.266 196 P C -0.119 177.077 177.300 -0.172 0.000 1.586 196 P CA 0.083 62.764 63.100 -0.699 0.000 1.088 196 P CB 0.124 30.951 31.700 -1.454 0.000 1.584 197 Y N 4.318 124.536 120.300 -0.136 0.000 2.181 197 Y HA -0.242 4.297 4.550 -0.019 0.000 0.288 197 Y C 2.130 177.869 175.900 -0.269 0.000 1.146 197 Y CA 1.919 59.808 58.100 -0.351 0.000 1.164 197 Y CB -0.327 37.905 38.460 -0.380 0.000 0.982 197 Y HN 0.172 nan 8.280 nan 0.000 0.515 198 Q N -1.065 118.555 119.800 -0.300 0.000 2.124 198 Q HA -0.230 4.099 4.340 -0.019 0.000 0.202 198 Q C 2.113 177.977 176.000 -0.228 0.000 0.977 198 Q CA 1.654 57.278 55.803 -0.299 0.000 0.850 198 Q CB -0.928 27.745 28.738 -0.108 0.000 0.901 198 Q HN 0.645 nan 8.270 nan 0.000 0.429 199 Y N 0.653 120.748 120.300 -0.342 0.000 2.200 199 Y HA -0.095 4.444 4.550 -0.019 0.000 0.290 199 Y C 1.778 177.539 175.900 -0.232 0.000 1.137 199 Y CA 1.132 59.064 58.100 -0.280 0.000 1.163 199 Y CB 0.033 38.297 38.460 -0.328 0.000 0.988 199 Y HN 0.010 nan 8.280 nan 0.000 0.518 200 L N -0.490 120.597 121.223 -0.227 0.000 2.640 200 L HA 0.109 4.437 4.340 -0.019 0.000 0.230 200 L C 2.057 178.811 176.870 -0.195 0.000 1.123 200 L CA 0.110 54.844 54.840 -0.176 0.000 0.900 200 L CB -0.191 41.910 42.059 0.069 0.000 1.146 200 L HN -0.023 nan 8.230 nan 0.000 0.484 201 K N 0.872 121.022 120.400 -0.416 0.000 2.057 201 K HA -0.169 4.140 4.320 -0.019 0.000 0.207 201 K C 0.978 177.453 176.600 -0.207 0.000 1.049 201 K CA 1.561 57.526 56.287 -0.537 0.000 0.931 201 K CB 0.211 32.267 32.500 -0.739 0.000 0.714 201 K HN 0.278 nan 8.250 nan 0.000 0.440 202 D N 0.397 120.695 120.400 -0.169 0.000 2.339 202 D HA 0.016 4.644 4.640 -0.019 0.000 0.217 202 D C -0.286 175.982 176.300 -0.053 0.000 1.050 202 D CA 0.142 54.087 54.000 -0.092 0.000 0.856 202 D CB 0.526 41.266 40.800 -0.100 0.000 0.922 202 D HN -0.050 nan 8.370 nan 0.000 0.518 203 V N 1.854 121.744 119.914 -0.040 0.000 2.508 203 V HA 0.266 4.375 4.120 -0.019 0.000 0.281 203 V C 0.809 176.935 176.094 0.053 0.000 1.041 203 V CA -0.918 61.381 62.300 -0.002 0.000 1.016 203 V CB 0.931 32.757 31.823 0.005 0.000 0.984 203 V HN 0.099 nan 8.190 nan 0.000 0.478 204 A N 7.485 130.319 122.820 0.024 0.000 2.498 204 A HA 0.337 4.646 4.320 -0.019 0.000 0.239 204 A C -1.202 176.395 177.584 0.022 0.000 1.068 204 A CA -0.758 51.287 52.037 0.014 0.000 0.766 204 A CB -0.065 18.928 19.000 -0.011 0.000 1.003 204 A HN 0.721 nan 8.150 nan 0.000 0.497 205 P HA -0.187 nan 4.420 nan 0.000 0.217 205 P C 1.260 178.502 177.300 -0.097 0.000 1.150 205 P CA 1.855 64.826 63.100 -0.215 0.000 0.832 205 P CB 0.047 31.294 31.700 -0.755 0.000 0.787 206 K N -0.833 119.514 120.400 -0.089 0.000 2.280 206 K HA -0.127 4.182 4.320 -0.019 0.000 0.202 206 K C 0.967 177.571 176.600 0.006 0.000 1.047 206 K CA 1.575 57.839 56.287 -0.038 0.000 0.942 206 K CB -0.602 31.871 32.500 -0.045 0.000 0.739 206 K HN 0.051 nan 8.250 nan 0.000 0.457 207 D N 0.550 120.961 120.400 0.018 0.000 2.354 207 D HA -0.011 4.617 4.640 -0.019 0.000 0.209 207 D C 1.633 177.966 176.300 0.055 0.000 1.015 207 D CA 0.141 54.157 54.000 0.028 0.000 0.867 207 D CB 0.201 41.009 40.800 0.013 0.000 0.933 207 D HN 0.104 nan 8.370 nan 0.000 0.520 208 L N 1.495 122.783 121.223 0.109 0.000 2.046 208 L HA -0.067 4.262 4.340 -0.019 0.000 0.208 208 L C 2.159 179.086 176.870 0.095 0.000 1.077 208 L CA 1.504 56.426 54.840 0.137 0.000 0.747 208 L CB -0.735 41.482 42.059 0.263 0.000 0.896 208 L HN -0.045 nan 8.230 nan 0.000 0.432 209 A N -1.334 121.539 122.820 0.088 0.000 1.972 209 A HA -0.176 4.132 4.320 -0.019 0.000 0.219 209 A C 2.310 179.909 177.584 0.025 0.000 1.169 209 A CA 1.879 53.947 52.037 0.052 0.000 0.635 209 A CB -0.790 18.238 19.000 0.046 0.000 0.810 209 A HN 0.632 nan 8.150 nan 0.000 0.446 210 S N -1.277 114.437 115.700 0.024 0.000 2.535 210 S HA 0.201 4.660 4.470 -0.019 0.000 0.214 210 S C 0.898 175.504 174.600 0.011 0.000 0.980 210 S CA 0.461 58.667 58.200 0.009 0.000 0.907 210 S CB -0.483 62.719 63.200 0.005 0.000 0.790 210 S HN 0.447 nan 8.310 nan 0.000 0.510 211 S N 2.733 118.444 115.700 0.018 0.000 2.568 211 S HA 0.247 4.705 4.470 -0.019 0.000 0.282 211 S C -1.663 172.945 174.600 0.014 0.000 1.338 211 S CA -1.036 57.168 58.200 0.006 0.000 1.045 211 S CB 0.701 63.898 63.200 -0.004 0.000 0.873 211 S HN 0.069 nan 8.310 nan 0.000 0.516 212 P HA -0.035 nan 4.420 nan 0.000 0.218 212 P C 0.830 178.154 177.300 0.039 0.000 1.149 212 P CA 1.260 64.371 63.100 0.019 0.000 0.817 212 P CB 0.085 31.785 31.700 0.001 0.000 0.785 213 K N -0.970 119.424 120.400 -0.009 0.000 2.360 213 K HA -0.056 4.252 4.320 -0.019 0.000 0.201 213 K C 1.338 178.014 176.600 0.127 0.000 1.046 213 K CA 1.723 58.007 56.287 -0.006 0.000 0.945 213 K CB -0.528 31.787 32.500 -0.308 0.000 0.750 213 K HN 0.315 nan 8.250 nan 0.000 0.464 214 T N -3.449 111.183 114.554 0.129 0.000 3.132 214 T HA 0.106 4.444 4.350 -0.019 0.000 0.274 214 T C 1.134 176.020 174.700 0.310 0.000 1.011 214 T CA 0.203 62.435 62.100 0.220 0.000 0.899 214 T CB 0.425 69.387 68.868 0.156 0.000 1.089 214 T HN 0.159 nan 8.240 nan 0.000 0.543 215 T N -0.871 113.837 114.554 0.257 0.000 3.431 215 T HA 0.125 4.463 4.350 -0.019 0.000 0.207 215 T C 1.953 176.826 174.700 0.288 0.000 0.979 215 T CA 0.831 63.060 62.100 0.215 0.000 1.141 215 T CB -0.139 68.763 68.868 0.057 0.000 1.278 215 T HN 0.237 nan 8.240 nan 0.000 0.334 216 T N -0.235 114.410 114.554 0.151 0.000 3.051 216 T HA 0.364 4.702 4.350 -0.019 0.000 0.255 216 T C 0.696 175.435 174.700 0.066 0.000 1.085 216 T CA 0.126 62.295 62.100 0.115 0.000 1.109 216 T CB -0.203 68.703 68.868 0.063 0.000 0.921 216 T HN 0.317 nan 8.240 nan 0.000 0.488 217 K N 2.523 122.955 120.400 0.054 0.000 2.954 217 K HA 0.366 4.675 4.320 -0.019 0.000 0.171 217 K C -2.856 173.769 176.600 0.042 0.000 1.079 217 K CA -1.784 54.517 56.287 0.024 0.000 0.908 217 K CB 1.896 34.432 32.500 0.060 0.000 1.142 217 K HN 0.298 nan 8.250 nan 0.000 0.613 218 P HA 0.204 nan 4.420 nan 0.000 0.279 218 P C -0.539 176.617 177.300 -0.240 0.000 1.276 218 P CA -0.522 62.498 63.100 -0.134 0.000 0.801 218 P CB 1.202 32.591 31.700 -0.518 0.000 1.127 219 L N 0.344 121.402 121.223 -0.275 0.000 2.317 219 L HA 0.582 4.910 4.340 -0.019 0.000 0.281 219 L C 0.521 177.425 176.870 0.057 0.000 1.024 219 L CA -1.007 53.668 54.840 -0.276 0.000 0.810 219 L CB 1.686 43.385 42.059 -0.600 0.000 1.240 219 L HN 0.234 nan 8.230 nan 0.000 0.427 220 V N -0.967 119.076 119.914 0.215 0.000 3.102 220 V HA 0.585 4.694 4.120 -0.019 0.000 0.312 220 V C 0.419 176.728 176.094 0.359 0.000 1.135 220 V CA -0.138 62.364 62.300 0.337 0.000 1.022 220 V CB 1.790 33.693 31.823 0.133 0.000 1.056 220 V HN 0.839 nan 8.190 nan 0.000 0.436 221 T N -1.619 113.085 114.554 0.251 0.000 3.054 221 T HA 0.415 4.753 4.350 -0.019 0.000 0.255 221 T C 0.869 175.722 174.700 0.255 0.000 1.035 221 T CA 0.518 62.703 62.100 0.142 0.000 0.941 221 T CB -0.248 68.598 68.868 -0.037 0.000 1.026 221 T HN 1.413 nan 8.240 nan 0.000 0.533 222 G N 2.325 111.236 108.800 0.186 0.000 2.588 222 G HA2 0.461 4.409 3.960 -0.019 0.000 0.278 222 G HA3 0.461 4.409 3.960 -0.019 0.000 0.278 222 G C -1.350 173.365 174.900 -0.307 0.000 1.307 222 G CA -1.336 43.790 45.100 0.045 0.000 1.016 222 G HN 0.057 nan 8.290 nan 0.000 0.503 223 P HA 0.043 nan 4.420 nan 0.000 0.226 223 P C -0.255 176.613 177.300 -0.719 0.000 1.153 223 P CA 0.894 63.328 63.100 -1.110 0.000 0.777 223 P CB 0.157 31.269 31.700 -0.981 0.000 0.794 224 F N 0.438 120.212 119.950 -0.294 0.000 2.577 224 F HA 0.437 4.953 4.527 -0.019 0.000 0.318 224 F C 0.749 176.555 175.800 0.009 0.000 1.065 224 F CA -1.045 56.868 58.000 -0.145 0.000 0.929 224 F CB 2.078 40.920 39.000 -0.264 0.000 1.237 224 F HN -0.362 nan 8.300 nan 0.000 0.468 225 K N 1.191 121.767 120.400 0.294 0.000 2.385 225 K HA 0.641 4.950 4.320 -0.019 0.000 0.248 225 K C -3.215 173.503 176.600 0.196 0.000 0.955 225 K CA -2.109 54.291 56.287 0.189 0.000 0.816 225 K CB 2.303 34.846 32.500 0.071 0.000 1.250 225 K HN 0.128 nan 8.250 nan 0.000 0.434 226 P HA 0.052 nan 4.420 nan 0.000 0.283 226 P C -0.237 176.989 177.300 -0.124 0.000 1.412 226 P CA -0.046 62.921 63.100 -0.223 0.000 0.912 226 P CB 1.448 32.930 31.700 -0.363 0.000 1.132 227 E N 3.414 123.581 120.200 -0.055 0.000 2.072 227 E HA -0.132 4.207 4.350 -0.019 0.000 0.191 227 E C -0.110 176.476 176.600 -0.023 0.000 0.985 227 E CA 1.161 57.550 56.400 -0.020 0.000 0.801 227 E CB 0.276 29.987 29.700 0.019 0.000 0.750 227 E HN 0.351 nan 8.360 nan 0.000 0.452 228 N N -0.799 117.882 118.700 -0.032 0.000 2.310 228 N HA 0.219 4.947 4.740 -0.019 0.000 0.292 228 N C -1.874 173.636 175.510 0.000 0.000 1.049 228 N CA -0.472 52.574 53.050 -0.007 0.000 0.849 228 N CB 2.155 40.647 38.487 0.007 0.000 1.532 228 N HN -0.258 nan 8.380 nan 0.000 0.479 229 V N 2.975 122.911 119.914 0.036 0.000 2.409 229 V HA 0.484 4.593 4.120 -0.019 0.000 0.291 229 V C -0.453 175.675 176.094 0.055 0.000 1.020 229 V CA -0.789 61.555 62.300 0.073 0.000 0.848 229 V CB 1.638 33.553 31.823 0.154 0.000 0.990 229 V HN 0.448 nan 8.190 nan 0.000 0.430 230 V N 4.326 124.270 119.914 0.050 0.000 2.370 230 V HA 0.603 4.711 4.120 -0.019 0.000 0.283 230 V C 0.726 176.840 176.094 0.034 0.000 1.023 230 V CA -0.668 61.655 62.300 0.039 0.000 0.857 230 V CB 1.556 33.403 31.823 0.040 0.000 0.985 230 V HN 0.998 nan 8.190 nan 0.000 0.443 231 A N 4.014 126.847 122.820 0.022 0.000 2.520 231 A HA 0.515 4.824 4.320 -0.019 0.000 0.245 231 A C 1.545 179.133 177.584 0.006 0.000 1.072 231 A CA 0.757 52.797 52.037 0.005 0.000 0.761 231 A CB -0.403 18.595 19.000 -0.003 0.000 1.004 231 A HN 2.137 nan 8.150 nan 0.000 0.499 232 G N 1.742 110.540 108.800 -0.003 0.000 2.225 232 G HA2 -0.263 3.685 3.960 -0.019 0.000 0.254 232 G HA3 -0.263 3.685 3.960 -0.019 0.000 0.254 232 G C 0.542 175.455 174.900 0.022 0.000 0.988 232 G CA 0.974 46.075 45.100 0.003 0.000 0.625 232 G HN 0.760 nan 8.290 nan 0.000 0.527 233 E N -0.911 119.309 120.200 0.033 0.000 2.629 233 E HA 0.363 4.702 4.350 -0.019 0.000 0.197 233 E C 0.853 177.492 176.600 0.065 0.000 0.955 233 E CA 0.693 57.123 56.400 0.051 0.000 1.191 233 E CB 0.853 30.585 29.700 0.054 0.000 1.175 233 E HN 0.763 nan 8.360 nan 0.000 0.501 234 S N 0.023 115.762 115.700 0.064 0.000 2.596 234 S HA 0.643 5.102 4.470 -0.019 0.000 0.270 234 S C -1.156 173.481 174.600 0.062 0.000 1.155 234 S CA -0.927 57.320 58.200 0.079 0.000 0.827 234 S CB 1.452 64.710 63.200 0.096 0.000 1.130 234 S HN 0.125 nan 8.310 nan 0.000 0.467 235 I N 0.919 121.518 120.570 0.049 0.000 2.533 235 I HA 0.511 4.670 4.170 -0.019 0.000 0.290 235 I C -0.500 175.564 176.117 -0.088 0.000 1.056 235 I CA -0.675 60.592 61.300 -0.055 0.000 1.057 235 I CB 2.241 40.130 38.000 -0.184 0.000 1.240 235 I HN 0.560 nan 8.210 nan 0.000 0.423 236 K N 5.534 125.864 120.400 -0.117 0.000 2.293 236 K HA 0.439 4.747 4.320 -0.019 0.000 0.267 236 K C -1.773 174.767 176.600 -0.101 0.000 1.010 236 K CA -0.538 55.715 56.287 -0.056 0.000 0.875 236 K CB 1.010 33.515 32.500 0.008 0.000 1.106 236 K HN 0.421 nan 8.250 nan 0.000 0.450 237 Y N 2.071 122.391 120.300 0.033 0.000 2.360 237 Y HA 0.317 4.856 4.550 -0.019 0.000 0.337 237 Y C 0.254 176.238 175.900 0.139 0.000 1.039 237 Y CA -0.594 57.531 58.100 0.042 0.000 1.109 237 Y CB 1.755 40.134 38.460 -0.135 0.000 1.201 237 Y HN 0.280 nan 8.280 nan 0.000 0.458 238 V N 0.821 120.988 119.914 0.421 0.000 3.078 238 V HA 0.756 4.864 4.120 -0.019 0.000 0.311 238 V C -3.082 173.180 176.094 0.280 0.000 1.138 238 V CA -3.443 59.057 62.300 0.334 0.000 1.007 238 V CB 2.189 34.105 31.823 0.156 0.000 1.045 238 V HN 0.450 nan 8.190 nan 0.000 0.432 239 P HA 0.193 nan 4.420 nan 0.000 0.268 239 P C -0.941 176.265 177.300 -0.156 0.000 1.204 239 P CA 0.273 63.210 63.100 -0.272 0.000 0.768 239 P CB 0.194 31.747 31.700 -0.246 0.000 0.842 240 N N 4.681 123.262 118.700 -0.198 0.000 2.420 240 N HA 0.135 4.864 4.740 -0.019 0.000 0.249 240 N C -1.530 173.923 175.510 -0.096 0.000 1.033 240 N CA -2.414 50.595 53.050 -0.067 0.000 0.944 240 N CB 0.304 38.793 38.487 0.003 0.000 1.113 240 N HN 0.173 nan 8.380 nan 0.000 0.502 241 P HA -0.114 nan 4.420 nan 0.000 0.218 241 P C 0.194 177.293 177.300 -0.335 0.000 1.149 241 P CA 1.333 64.227 63.100 -0.344 0.000 0.817 241 P CB -0.012 31.344 31.700 -0.573 0.000 0.785 242 Y N -2.624 117.700 120.300 0.040 0.000 2.461 242 Y HA 0.133 4.672 4.550 -0.019 0.000 0.277 242 Y C 1.132 177.079 175.900 0.078 0.000 1.182 242 Y CA -0.985 57.146 58.100 0.052 0.000 1.276 242 Y CB -1.256 37.238 38.460 0.056 0.000 1.087 242 Y HN -0.111 nan 8.280 nan 0.000 0.519 243 Y N 2.017 122.326 120.300 0.015 0.000 2.620 243 Y HA -0.138 4.400 4.550 -0.019 0.000 0.330 243 Y C 1.451 177.303 175.900 -0.080 0.000 1.186 243 Y CA -1.057 56.995 58.100 -0.080 0.000 1.467 243 Y CB 0.438 38.766 38.460 -0.221 0.000 1.262 243 Y HN 0.386 nan 8.280 nan 0.000 0.550 244 W N 4.717 125.684 121.300 -0.555 0.000 2.374 244 W HA 0.046 4.694 4.660 -0.019 0.000 0.288 244 W C 0.492 176.705 176.519 -0.510 0.000 1.218 244 W CA 0.636 57.711 57.345 -0.450 0.000 1.245 244 W CB -1.229 27.996 29.460 -0.391 0.000 1.126 244 W HN 0.685 nan 8.180 nan 0.000 0.545 245 G N 0.952 108.721 108.800 -1.718 0.000 2.531 245 G HA2 0.127 4.075 3.960 -0.019 0.000 0.253 245 G HA3 0.127 4.075 3.960 -0.019 0.000 0.253 245 G C -0.777 173.906 174.900 -0.363 0.000 1.439 245 G CA -0.766 43.583 45.100 -1.252 0.000 1.056 245 G HN 0.124 nan 8.290 nan 0.000 0.555 246 E N 0.237 120.368 120.200 -0.114 0.000 2.366 246 E HA 0.098 4.437 4.350 -0.019 0.000 0.266 246 E C 0.324 176.950 176.600 0.043 0.000 1.015 246 E CA -0.207 56.194 56.400 0.001 0.000 0.906 246 E CB 0.421 30.137 29.700 0.027 0.000 0.979 246 E HN 0.342 nan 8.360 nan 0.000 0.443 247 K N 5.871 126.270 120.400 -0.001 0.000 2.451 247 K HA 0.126 4.435 4.320 -0.019 0.000 0.280 247 K C -2.264 174.292 176.600 -0.075 0.000 1.020 247 K CA -1.282 54.978 56.287 -0.044 0.000 1.008 247 K CB 0.433 32.904 32.500 -0.050 0.000 0.917 247 K HN 0.209 nan 8.250 nan 0.000 0.478 248 P HA 0.049 nan 4.420 nan 0.000 0.271 248 P C -0.351 176.933 177.300 -0.026 0.000 1.218 248 P CA -0.252 62.776 63.100 -0.119 0.000 0.780 248 P CB 0.783 32.258 31.700 -0.374 0.000 0.901 249 K N 1.090 121.516 120.400 0.043 0.000 2.057 249 K HA -0.021 4.287 4.320 -0.019 0.000 0.206 249 K C 0.759 177.406 176.600 0.079 0.000 1.050 249 K CA 0.880 57.196 56.287 0.050 0.000 0.935 249 K CB -0.422 32.108 32.500 0.049 0.000 0.715 249 K HN 0.388 nan 8.250 nan 0.000 0.439 250 L N 2.592 123.910 121.223 0.159 0.000 2.426 250 L HA -0.005 4.324 4.340 -0.019 0.000 0.271 250 L C 1.305 178.294 176.870 0.198 0.000 1.169 250 L CA -0.520 54.434 54.840 0.190 0.000 0.836 250 L CB 0.343 42.550 42.059 0.248 0.000 1.112 250 L HN 0.117 nan 8.230 nan 0.000 0.465 251 N N 0.593 119.378 118.700 0.142 0.000 2.142 251 N HA -0.079 4.650 4.740 -0.019 0.000 0.186 251 N C 0.346 175.980 175.510 0.207 0.000 1.023 251 N CA 1.024 54.153 53.050 0.131 0.000 0.852 251 N CB 0.041 38.576 38.487 0.080 0.000 0.998 251 N HN 0.751 nan 8.380 nan 0.000 0.424 252 S N -0.978 114.842 115.700 0.199 0.000 2.588 252 S HA 0.692 5.151 4.470 -0.019 0.000 0.269 252 S C -1.096 173.527 174.600 0.038 0.000 1.157 252 S CA -0.998 57.307 58.200 0.175 0.000 0.824 252 S CB 1.663 64.937 63.200 0.124 0.000 1.126 252 S HN 0.007 nan 8.310 nan 0.000 0.464 253 I N 1.685 122.222 120.570 -0.056 0.000 2.582 253 I HA 0.483 4.642 4.170 -0.019 0.000 0.292 253 I C -0.506 175.638 176.117 0.045 0.000 1.066 253 I CA -0.683 60.554 61.300 -0.105 0.000 1.053 253 I CB 2.756 40.520 38.000 -0.392 0.000 1.241 253 I HN 0.902 nan 8.210 nan 0.000 0.421 254 T N 1.748 116.341 114.554 0.064 0.000 2.824 254 T HA 0.523 4.861 4.350 -0.019 0.000 0.280 254 T C -1.006 173.796 174.700 0.171 0.000 0.995 254 T CA -0.674 61.502 62.100 0.125 0.000 1.009 254 T CB 1.409 70.348 68.868 0.117 0.000 0.955 254 T HN 0.486 nan 8.240 nan 0.000 0.452 255 Y N 1.264 121.622 120.300 0.097 0.000 2.338 255 Y HA 0.459 4.997 4.550 -0.020 0.000 0.333 255 Y C -0.279 175.664 175.900 0.071 0.000 0.968 255 Y CA -0.904 57.248 58.100 0.086 0.000 1.123 255 Y CB 1.459 39.982 38.460 0.105 0.000 1.165 255 Y HN 0.779 nan 8.280 nan 0.000 0.452 256 E N 3.756 124.179 120.200 0.372 0.000 2.317 256 E HA 0.375 4.714 4.350 -0.019 0.000 0.270 256 E C -1.316 175.373 176.600 0.148 0.000 0.885 256 E CA -1.216 55.310 56.400 0.211 0.000 0.760 256 E CB 2.879 32.711 29.700 0.220 0.000 1.227 256 E HN 0.281 nan 8.360 nan 0.000 0.434 257 V N 2.125 122.105 119.914 0.109 0.000 2.585 257 V HA 0.097 4.206 4.120 -0.019 0.000 0.296 257 V C -0.015 176.116 176.094 0.062 0.000 1.035 257 V CA -0.084 62.271 62.300 0.091 0.000 1.084 257 V CB 0.947 32.817 31.823 0.078 0.000 0.953 257 V HN 0.428 nan 8.190 nan 0.000 0.483 258 V N 5.259 125.184 119.914 0.018 0.000 2.735 258 V HA 0.655 4.764 4.120 -0.019 0.000 0.310 258 V C 0.312 176.407 176.094 0.001 0.000 1.061 258 V CA -0.181 62.125 62.300 0.011 0.000 0.913 258 V CB 2.653 34.447 31.823 -0.050 0.000 1.005 258 V HN 1.097 nan 8.190 nan 0.000 0.428 259 S N 3.678 119.389 115.700 0.018 0.000 2.593 259 S HA 0.166 4.625 4.470 -0.019 0.000 0.269 259 S C 1.047 175.638 174.600 -0.014 0.000 1.334 259 S CA 0.488 58.691 58.200 0.005 0.000 1.015 259 S CB 1.281 64.491 63.200 0.016 0.000 0.912 259 S HN 0.860 nan 8.310 nan 0.000 0.541 260 T N 2.197 116.737 114.554 -0.023 0.000 2.746 260 T HA -0.052 4.287 4.350 -0.019 0.000 0.267 260 T C 2.160 176.851 174.700 -0.016 0.000 1.039 260 T CA 1.560 63.640 62.100 -0.032 0.000 1.142 260 T CB -0.875 67.973 68.868 -0.033 0.000 0.866 260 T HN 0.847 nan 8.240 nan 0.000 0.444 261 A N 1.347 124.163 122.820 -0.006 0.000 1.972 261 A HA -0.079 4.230 4.320 -0.019 0.000 0.219 261 A C 2.157 179.745 177.584 0.007 0.000 1.169 261 A CA 1.480 53.517 52.037 -0.000 0.000 0.635 261 A CB -0.296 18.705 19.000 0.003 0.000 0.810 261 A HN 0.436 nan 8.150 nan 0.000 0.446 262 K N -0.539 119.870 120.400 0.015 0.000 2.367 262 K HA 0.173 4.481 4.320 -0.019 0.000 0.194 262 K C 1.923 178.546 176.600 0.038 0.000 1.027 262 K CA 0.492 56.798 56.287 0.031 0.000 1.075 262 K CB 0.296 32.825 32.500 0.049 0.000 0.845 262 K HN 0.360 nan 8.250 nan 0.000 0.529 263 S N 0.560 116.271 115.700 0.018 0.000 2.356 263 S HA -0.127 4.332 4.470 -0.019 0.000 0.223 263 S C 1.936 176.539 174.600 0.005 0.000 1.032 263 S CA 1.149 59.356 58.200 0.012 0.000 1.005 263 S CB -0.099 63.081 63.200 -0.032 0.000 0.867 263 S HN 0.041 nan 8.310 nan 0.000 0.449 264 V N 1.933 121.841 119.914 -0.010 0.000 2.407 264 V HA -0.187 3.922 4.120 -0.019 0.000 0.248 264 V C 2.583 178.664 176.094 -0.022 0.000 1.055 264 V CA 1.637 63.919 62.300 -0.029 0.000 1.049 264 V CB -1.140 30.667 31.823 -0.027 0.000 0.662 264 V HN 0.538 nan 8.190 nan 0.000 0.455 265 A N -0.086 122.734 122.820 -0.000 0.000 1.930 265 A HA -0.073 4.236 4.320 -0.019 0.000 0.217 265 A C 2.417 180.013 177.584 0.020 0.000 1.175 265 A CA 1.901 53.942 52.037 0.007 0.000 0.627 265 A CB -0.668 18.340 19.000 0.012 0.000 0.815 265 A HN 0.556 nan 8.150 nan 0.000 0.443 266 A N -0.223 122.626 122.820 0.050 0.000 1.933 266 A HA -0.013 4.296 4.320 -0.019 0.000 0.218 266 A C 2.142 179.771 177.584 0.075 0.000 1.175 266 A CA 1.433 53.520 52.037 0.083 0.000 0.628 266 A CB -0.560 18.581 19.000 0.235 0.000 0.814 266 A HN 0.469 nan 8.150 nan 0.000 0.444 267 L N -0.801 120.431 121.223 0.014 0.000 2.093 267 L HA -0.136 4.192 4.340 -0.019 0.000 0.208 267 L C 2.885 179.746 176.870 -0.015 0.000 1.085 267 L CA 1.419 56.184 54.840 -0.126 0.000 0.755 267 L CB -0.418 41.398 42.059 -0.405 0.000 0.904 267 L HN 0.488 nan 8.230 nan 0.000 0.435 268 S N -0.308 115.385 115.700 -0.011 0.000 2.382 268 S HA -0.163 4.296 4.470 -0.019 0.000 0.228 268 S C 2.018 176.648 174.600 0.050 0.000 1.027 268 S CA 1.596 59.808 58.200 0.021 0.000 0.991 268 S CB -0.146 63.054 63.200 -0.001 0.000 0.823 268 S HN 0.563 nan 8.310 nan 0.000 0.469 269 S N -0.302 115.424 115.700 0.042 0.000 2.605 269 S HA 0.291 4.749 4.470 -0.019 0.000 0.217 269 S C 0.577 175.202 174.600 0.042 0.000 0.958 269 S CA 0.605 58.824 58.200 0.030 0.000 0.919 269 S CB -0.223 62.980 63.200 0.005 0.000 0.780 269 S HN 0.390 nan 8.310 nan 0.000 0.507 270 S N 0.957 116.724 115.700 0.111 0.000 3.641 270 S HA -0.190 4.269 4.470 -0.019 0.000 0.346 270 S C 0.938 175.561 174.600 0.038 0.000 1.074 270 S CA 0.985 59.268 58.200 0.138 0.000 1.026 270 S CB -1.701 61.537 63.200 0.064 0.000 0.908 270 S HN 0.806 nan 8.310 nan 0.000 0.479 271 K N -0.539 119.841 120.400 -0.034 0.000 2.097 271 K HA -0.050 4.259 4.320 -0.019 0.000 0.205 271 K C -0.149 176.216 176.600 -0.391 0.000 1.050 271 K CA 1.229 57.350 56.287 -0.276 0.000 0.938 271 K CB 0.117 32.346 32.500 -0.451 0.000 0.718 271 K HN 0.518 nan 8.250 nan 0.000 0.442 272 Y N 0.301 120.670 120.300 0.115 0.000 2.425 272 Y HA 0.161 4.699 4.550 -0.020 0.000 0.344 272 Y C 0.435 176.431 175.900 0.160 0.000 0.969 272 Y CA -1.259 56.904 58.100 0.104 0.000 1.052 272 Y CB 1.952 40.458 38.460 0.077 0.000 1.215 272 Y HN -0.054 nan 8.280 nan 0.000 0.451 273 D N 1.934 122.486 120.400 0.253 0.000 2.117 273 D HA -0.020 4.609 4.640 -0.019 0.000 0.198 273 D C 0.062 176.485 176.300 0.205 0.000 0.982 273 D CA 1.854 55.955 54.000 0.169 0.000 0.828 273 D CB 0.572 41.428 40.800 0.092 0.000 0.967 273 D HN 0.361 nan 8.370 nan 0.000 0.464 274 I N 0.597 121.260 120.570 0.155 0.000 2.533 274 I HA 0.290 4.448 4.170 -0.019 0.000 0.290 274 I C -0.741 175.383 176.117 0.010 0.000 1.056 274 I CA -0.549 60.803 61.300 0.086 0.000 1.057 274 I CB 2.825 40.838 38.000 0.022 0.000 1.240 274 I HN -0.274 nan 8.210 nan 0.000 0.423 275 I N 5.490 126.048 120.570 -0.019 0.000 2.406 275 I HA 0.413 4.572 4.170 -0.019 0.000 0.290 275 I C -0.556 175.488 176.117 -0.121 0.000 0.999 275 I CA -0.658 60.575 61.300 -0.111 0.000 1.124 275 I CB 1.464 39.379 38.000 -0.141 0.000 1.289 275 I HN 0.481 nan 8.210 nan 0.000 0.441 276 N N 3.819 122.455 118.700 -0.106 0.000 2.430 276 N HA 0.684 5.413 4.740 -0.019 0.000 0.298 276 N C 0.168 175.406 175.510 -0.453 0.000 1.130 276 N CA 0.191 53.171 53.050 -0.118 0.000 0.894 276 N CB 2.057 40.670 38.487 0.210 0.000 1.209 276 N HN 0.919 nan 8.380 nan 0.000 0.503 280 S N 1.281 117.065 115.700 0.141 0.000 2.382 280 S HA -0.156 4.303 4.470 -0.019 0.000 0.228 280 S C 2.024 176.705 174.600 0.135 0.000 1.027 280 S CA 2.878 61.175 58.200 0.162 0.000 0.991 280 S CB -0.448 62.777 63.200 0.042 0.000 0.823 280 S HN 2.318 nan 8.310 nan 0.000 0.469 281 S N 0.901 116.655 115.700 0.090 0.000 2.419 281 S HA -0.113 4.346 4.470 -0.019 0.000 0.233 281 S C 1.824 176.470 174.600 0.076 0.000 1.016 281 S CA 1.025 59.266 58.200 0.067 0.000 0.974 281 S CB -0.706 62.514 63.200 0.033 0.000 0.786 281 S HN 0.772 nan 8.310 nan 0.000 0.492 282 Q N -0.709 119.158 119.800 0.112 0.000 2.435 282 Q HA 0.008 4.336 4.340 -0.019 0.000 0.207 282 Q C 1.593 177.637 176.000 0.073 0.000 0.956 282 Q CA 0.819 56.679 55.803 0.095 0.000 0.917 282 Q CB -0.360 28.447 28.738 0.115 0.000 0.997 282 Q HN 0.836 nan 8.270 nan 0.000 0.497 283 Y N 3.152 123.405 120.300 -0.079 0.000 2.224 283 Y HA -0.273 4.252 4.550 -0.042 0.000 0.289 283 Y C 2.186 177.964 175.900 -0.203 0.000 1.146 283 Y CA 1.949 59.849 58.100 -0.334 0.000 1.182 283 Y CB -0.005 38.053 38.460 -0.669 0.000 0.983 283 Y HN 0.027 nan 8.280 nan 0.000 0.524 284 K N -0.185 120.036 120.400 -0.300 0.000 2.147 284 K HA -0.226 4.083 4.320 -0.019 0.000 0.205 284 K C 1.874 178.304 176.600 -0.284 0.000 1.049 284 K CA 1.880 57.969 56.287 -0.331 0.000 0.936 284 K CB -0.510 31.918 32.500 -0.119 0.000 0.722 284 K HN 0.412 nan 8.250 nan 0.000 0.446 285 Q N 0.904 120.592 119.800 -0.187 0.000 2.124 285 Q HA -0.067 4.262 4.340 -0.019 0.000 0.202 285 Q C 2.030 177.929 176.000 -0.168 0.000 0.977 285 Q CA 1.543 57.263 55.803 -0.138 0.000 0.850 285 Q CB 0.082 28.774 28.738 -0.077 0.000 0.901 285 Q HN 0.166 nan 8.270 nan 0.000 0.429 286 V N 0.647 120.431 119.914 -0.216 0.000 3.129 286 V HA -0.134 3.974 4.120 -0.019 0.000 0.259 286 V C 2.010 177.949 176.094 -0.258 0.000 1.116 286 V CA 1.032 63.215 62.300 -0.195 0.000 1.127 286 V CB -0.307 31.475 31.823 -0.069 0.000 0.742 286 V HN 0.275 nan 8.190 nan 0.000 0.474 287 K N 1.283 121.425 120.400 -0.430 0.000 2.026 287 K HA -0.189 4.120 4.320 -0.019 0.000 0.208 287 K C 1.518 177.989 176.600 -0.214 0.000 1.048 287 K CA 2.234 58.249 56.287 -0.453 0.000 0.929 287 K CB -0.095 32.077 32.500 -0.547 0.000 0.713 287 K HN 0.559 nan 8.250 nan 0.000 0.439 288 N N 0.033 118.633 118.700 -0.167 0.000 2.280 288 N HA 0.132 4.861 4.740 -0.019 0.000 0.192 288 N C -0.593 174.883 175.510 -0.055 0.000 1.109 288 N CA -0.323 52.668 53.050 -0.098 0.000 0.855 288 N CB 0.344 38.778 38.487 -0.089 0.000 0.974 288 N HN 0.036 nan 8.380 nan 0.000 0.482 289 L N 1.951 123.143 121.223 -0.052 0.000 2.540 289 L HA -0.003 4.326 4.340 -0.019 0.000 0.276 289 L C 0.595 177.502 176.870 0.061 0.000 1.212 289 L CA 0.465 55.306 54.840 0.001 0.000 0.893 289 L CB 0.291 42.338 42.059 -0.020 0.000 1.138 289 L HN 0.117 nan 8.230 nan 0.000 0.491 290 K N 2.003 122.439 120.400 0.060 0.000 2.219 290 K HA 0.279 4.587 4.320 -0.019 0.000 0.258 290 K C 1.037 177.695 176.600 0.096 0.000 1.008 290 K CA 0.417 56.735 56.287 0.053 0.000 0.928 290 K CB 0.628 33.140 32.500 0.020 0.000 0.983 290 K HN 0.854 nan 8.250 nan 0.000 0.484 291 G N 0.683 109.483 108.800 0.001 0.000 2.176 291 G HA2 -0.272 3.677 3.960 -0.019 0.000 0.253 291 G HA3 -0.272 3.677 3.960 -0.019 0.000 0.253 291 G C -0.666 174.021 174.900 -0.355 0.000 0.979 291 G CA 0.066 45.084 45.100 -0.136 0.000 0.641 291 G HN 0.519 nan 8.290 nan 0.000 0.530 292 Y N -0.592 119.661 120.300 -0.078 0.000 2.512 292 Y HA 0.667 5.205 4.550 -0.020 0.000 0.348 292 Y C 0.140 175.946 175.900 -0.157 0.000 0.990 292 Y CA -1.006 57.033 58.100 -0.102 0.000 1.033 292 Y CB 2.077 40.509 38.460 -0.047 0.000 1.259 292 Y HN 0.141 nan 8.280 nan 0.000 0.461 293 K N 1.278 121.625 120.400 -0.089 0.000 2.221 293 K HA 0.732 5.041 4.320 -0.019 0.000 0.258 293 K C -1.946 174.666 176.600 0.020 0.000 0.944 293 K CA -0.528 55.674 56.287 -0.141 0.000 0.823 293 K CB 1.391 33.610 32.500 -0.468 0.000 1.113 293 K HN 0.462 nan 8.250 nan 0.000 0.431 294 V N 6.151 126.122 119.914 0.095 0.000 2.370 294 V HA 0.341 4.450 4.120 -0.019 0.000 0.279 294 V C -0.192 176.065 176.094 0.272 0.000 1.029 294 V CA -0.749 61.688 62.300 0.227 0.000 0.870 294 V CB 0.812 32.841 31.823 0.342 0.000 0.984 294 V HN 0.699 nan 8.190 nan 0.000 0.451 295 L N 4.286 125.653 121.223 0.240 0.000 2.343 295 L HA 0.834 5.163 4.340 -0.019 0.000 0.275 295 L C 0.669 177.651 176.870 0.186 0.000 1.056 295 L CA -0.218 54.744 54.840 0.203 0.000 0.804 295 L CB 1.643 43.760 42.059 0.096 0.000 1.203 295 L HN 0.744 nan 8.230 nan 0.000 0.440 296 G N 1.314 110.193 108.800 0.131 0.000 2.591 296 G HA2 0.584 4.533 3.960 -0.019 0.000 0.306 296 G HA3 0.584 4.533 3.960 -0.019 0.000 0.306 296 G C -1.742 173.073 174.900 -0.141 0.000 1.334 296 G CA -0.225 44.752 45.100 -0.207 0.000 0.981 296 G HN 0.398 nan 8.290 nan 0.000 0.491 297 Q N 0.190 119.876 119.800 -0.190 0.000 2.345 297 Q HA 0.398 4.726 4.340 -0.019 0.000 0.275 297 Q C -0.728 175.228 176.000 -0.073 0.000 1.063 297 Q CA -0.683 55.041 55.803 -0.132 0.000 0.819 297 Q CB 1.990 30.595 28.738 -0.221 0.000 1.356 297 Q HN 0.623 nan 8.270 nan 0.000 0.418 298 Q N 2.072 121.881 119.800 0.016 0.000 2.297 298 Q HA 0.580 4.909 4.340 -0.019 0.000 0.267 298 Q C -0.632 175.464 176.000 0.161 0.000 1.006 298 Q CA 0.064 55.907 55.803 0.066 0.000 0.896 298 Q CB 0.826 29.597 28.738 0.055 0.000 1.186 298 Q HN 0.789 nan 8.270 nan 0.000 0.392 302 I N 5.436 125.842 120.570 -0.273 0.000 2.545 302 I HA 0.739 4.898 4.170 -0.019 0.000 0.292 302 I C -1.233 174.587 176.117 -0.495 0.000 1.040 302 I CA -0.226 60.989 61.300 -0.143 0.000 1.068 302 I CB 2.083 40.176 38.000 0.155 0.000 1.251 302 I HN 0.610 nan 8.210 nan 0.000 0.424 303 S N 7.991 123.556 115.700 -0.226 0.000 2.503 303 S HA 0.956 5.414 4.470 -0.019 0.000 0.301 303 S C -0.800 173.778 174.600 -0.036 0.000 1.087 303 S CA -0.523 57.610 58.200 -0.112 0.000 1.042 303 S CB 1.379 64.622 63.200 0.071 0.000 1.043 303 S HN 0.920 nan 8.310 nan 0.000 0.489 307 Y N 1.251 121.825 120.300 0.456 0.000 2.393 307 Y HA 0.402 4.940 4.550 -0.019 0.000 0.341 307 Y C 0.005 176.030 175.900 0.209 0.000 0.988 307 Y CA -1.774 56.495 58.100 0.281 0.000 1.078 307 Y CB 1.492 40.024 38.460 0.120 0.000 1.203 307 Y HN 0.480 nan 8.280 nan 0.000 0.453 308 N N 3.272 121.982 118.700 0.016 0.000 2.415 308 N HA 0.240 4.968 4.740 -0.019 0.000 0.246 308 N C -0.390 175.054 175.510 -0.109 0.000 1.078 308 N CA 0.208 53.012 53.050 -0.411 0.000 0.942 308 N CB 0.276 37.892 38.487 -1.452 0.000 1.140 308 N HN 0.757 nan 8.380 nan 0.000 0.501 309 L N 1.701 122.966 121.223 0.071 0.000 2.906 309 L HA 0.495 4.824 4.340 -0.019 0.000 0.255 309 L C 1.056 177.987 176.870 0.101 0.000 1.166 309 L CA -0.282 54.618 54.840 0.100 0.000 0.977 309 L CB 0.238 42.402 42.059 0.175 0.000 1.313 309 L HN 0.610 nan 8.230 nan 0.000 0.549 310 G N -0.870 108.001 108.800 0.117 0.000 2.392 310 G HA2 0.221 4.170 3.960 -0.019 0.000 0.260 310 G HA3 0.221 4.170 3.960 -0.019 0.000 0.260 310 G C -1.849 173.021 174.900 -0.051 0.000 1.226 310 G CA -0.421 44.731 45.100 0.086 0.000 0.913 310 G HN 0.114 nan 8.290 nan 0.000 0.483 311 H N -1.436 117.459 119.070 -0.293 0.000 3.008 311 H HA 0.656 5.201 4.556 -0.019 0.000 0.354 311 H C -2.202 172.878 175.328 -0.413 0.000 1.252 311 H CA -0.842 54.845 56.048 -0.602 0.000 1.117 311 H CB 1.855 31.451 29.762 -0.276 0.000 1.857 311 H HN 0.637 nan 8.280 nan 0.000 0.547 312 Y N 1.632 121.651 120.300 -0.469 0.000 2.331 312 Y HA 0.209 4.748 4.550 -0.018 0.000 0.338 312 Y C -0.528 175.360 175.900 -0.020 0.000 0.992 312 Y CA -0.729 57.274 58.100 -0.162 0.000 1.121 312 Y CB 1.295 39.814 38.460 0.098 0.000 1.184 312 Y HN 0.697 nan 8.280 nan 0.000 0.469 313 D N 5.102 125.127 120.400 -0.625 0.000 2.441 313 D HA 0.270 4.898 4.640 -0.019 0.000 0.221 313 D C 0.574 176.492 176.300 -0.637 0.000 1.156 313 D CA 0.294 54.057 54.000 -0.394 0.000 0.896 313 D CB 1.231 41.872 40.800 -0.265 0.000 1.028 313 D HN 0.792 nan 8.370 nan 0.000 0.509 314 A N 5.105 127.716 122.820 -0.349 0.000 1.930 314 A HA -0.150 4.158 4.320 -0.019 0.000 0.217 314 A C 2.043 179.563 177.584 -0.105 0.000 1.175 314 A CA 0.975 52.914 52.037 -0.164 0.000 0.627 314 A CB -0.278 18.774 19.000 0.087 0.000 0.815 314 A HN 0.560 nan 8.150 nan 0.000 0.443 315 K N -0.157 120.190 120.400 -0.088 0.000 2.057 315 K HA -0.149 4.160 4.320 -0.019 0.000 0.207 315 K C 0.747 177.303 176.600 -0.074 0.000 1.049 315 K CA 1.587 57.840 56.287 -0.056 0.000 0.931 315 K CB -0.193 32.281 32.500 -0.043 0.000 0.714 315 K HN 0.457 nan 8.250 nan 0.000 0.440 316 N N 0.492 119.121 118.700 -0.119 0.000 2.336 316 N HA -0.005 4.723 4.740 -0.019 0.000 0.189 316 N C -0.442 174.981 175.510 -0.145 0.000 1.113 316 N CA 0.250 53.233 53.050 -0.113 0.000 0.858 316 N CB 0.688 39.112 38.487 -0.104 0.000 0.970 316 N HN -0.010 nan 8.380 nan 0.000 0.471 317 S N 0.601 116.175 115.700 -0.211 0.000 3.706 317 S HA -0.205 4.254 4.470 -0.019 0.000 0.363 317 S C -0.272 174.209 174.600 -0.198 0.000 0.999 317 S CA 0.351 58.451 58.200 -0.167 0.000 1.143 317 S CB -1.310 61.887 63.200 -0.005 0.000 0.902 317 S HN 0.485 nan 8.310 nan 0.000 0.476 318 I N 0.975 121.267 120.570 -0.463 0.000 2.722 318 I HA 0.402 4.560 4.170 -0.019 0.000 0.295 318 I C -0.674 175.275 176.117 -0.281 0.000 1.161 318 I CA -0.568 60.589 61.300 -0.239 0.000 1.032 318 I CB 1.515 39.422 38.000 -0.155 0.000 1.244 318 I HN 0.106 nan 8.210 nan 0.000 0.421 319 N N 5.240 123.925 118.700 -0.025 0.000 2.488 319 N HA 0.384 5.112 4.740 -0.019 0.000 0.274 319 N C -1.227 174.192 175.510 -0.152 0.000 1.111 319 N CA -0.154 52.897 53.050 0.001 0.000 0.974 319 N CB 1.797 40.332 38.487 0.080 0.000 1.089 319 N HN 0.261 nan 8.380 nan 0.000 0.465 320 V N 2.324 122.063 119.914 -0.291 0.000 2.378 320 V HA 0.178 4.287 4.120 -0.019 0.000 0.288 320 V C 0.535 176.560 176.094 -0.116 0.000 1.016 320 V CA -0.711 61.448 62.300 -0.234 0.000 0.840 320 V CB 1.651 33.286 31.823 -0.313 0.000 0.994 320 V HN 0.596 nan 8.190 nan 0.000 0.431 321 Q N 3.071 122.855 119.800 -0.027 0.000 3.254 321 Q HA 0.071 4.400 4.340 -0.019 0.000 0.315 321 Q C 0.227 176.252 176.000 0.042 0.000 1.405 321 Q CA -0.157 55.663 55.803 0.027 0.000 0.966 321 Q CB 0.142 28.896 28.738 0.026 0.000 1.706 321 Q HN 0.958 nan 8.270 nan 0.000 0.525 322 D N -0.445 119.989 120.400 0.058 0.000 2.402 322 D HA -0.001 4.627 4.640 -0.019 0.000 0.216 322 D C 0.202 176.533 176.300 0.052 0.000 1.128 322 D CA -0.349 53.690 54.000 0.065 0.000 0.833 322 D CB 0.069 40.921 40.800 0.086 0.000 0.971 322 D HN 0.163 nan 8.370 nan 0.000 0.503 323 R N 1.035 121.561 120.500 0.042 0.000 2.543 323 R HA 0.195 4.524 4.340 -0.019 0.000 0.277 323 R C -0.398 175.905 176.300 0.004 0.000 1.074 323 R CA -0.370 55.736 56.100 0.010 0.000 1.076 323 R CB 0.597 30.887 30.300 -0.018 0.000 0.993 323 R HN -0.176 nan 8.270 nan 0.000 0.459 324 K N 2.494 122.891 120.400 -0.005 0.000 2.284 324 K HA 0.146 4.455 4.320 -0.019 0.000 0.287 324 K C -0.668 175.928 176.600 -0.005 0.000 1.081 324 K CA 0.070 56.359 56.287 0.003 0.000 0.910 324 K CB 1.559 34.063 32.500 0.005 0.000 1.088 324 K HN 0.565 nan 8.250 nan 0.000 0.478 325 T N 1.915 116.471 114.554 0.002 0.000 2.957 325 T HA 0.271 4.610 4.350 -0.019 0.000 0.336 325 T C -2.357 172.349 174.700 0.010 0.000 1.462 325 T CA -1.534 60.557 62.100 -0.014 0.000 1.073 325 T CB 1.233 70.066 68.868 -0.058 0.000 1.319 325 T HN 0.235 nan 8.240 nan 0.000 0.485 326 P HA 0.142 nan 4.420 nan 0.000 0.234 326 P C 1.562 178.812 177.300 -0.084 0.000 1.167 326 P CA 0.423 63.551 63.100 0.047 0.000 0.763 326 P CB 0.067 31.754 31.700 -0.023 0.000 0.835 327 L N -0.580 120.550 121.223 -0.156 0.000 2.465 327 L HA -0.094 4.234 4.340 -0.019 0.000 0.224 327 L C 2.444 179.240 176.870 -0.124 0.000 1.145 327 L CA 0.796 55.484 54.840 -0.253 0.000 0.834 327 L CB -0.677 41.188 42.059 -0.323 0.000 0.944 327 L HN -0.031 nan 8.230 nan 0.000 0.451 328 Q N -0.087 119.698 119.800 -0.026 0.000 2.291 328 Q HA -0.061 4.268 4.340 -0.019 0.000 0.205 328 Q C -0.019 176.008 176.000 0.045 0.000 0.970 328 Q CA 0.809 56.636 55.803 0.039 0.000 0.876 328 Q CB -0.234 28.536 28.738 0.053 0.000 0.935 328 Q HN 0.470 nan 8.270 nan 0.000 0.455 329 D N 0.586 121.001 120.400 0.026 0.000 2.277 329 D HA 0.003 4.632 4.640 -0.019 0.000 0.249 329 D C 0.924 177.218 176.300 -0.010 0.000 1.134 329 D CA -0.010 54.017 54.000 0.044 0.000 0.863 329 D CB 1.234 42.106 40.800 0.120 0.000 1.143 329 D HN 0.091 nan 8.370 nan 0.000 0.458 330 Q N 2.587 122.386 119.800 -0.001 0.000 2.124 330 Q HA -0.209 4.119 4.340 -0.019 0.000 0.202 330 Q C 0.828 176.816 176.000 -0.020 0.000 0.977 330 Q CA 1.423 57.205 55.803 -0.036 0.000 0.850 330 Q CB 0.188 28.907 28.738 -0.032 0.000 0.901 330 Q HN 0.289 nan 8.270 nan 0.000 0.429 331 N N -0.447 118.265 118.700 0.020 0.000 2.166 331 N HA -0.130 4.599 4.740 -0.019 0.000 0.186 331 N C 1.626 177.140 175.510 0.007 0.000 1.019 331 N CA 1.390 54.468 53.050 0.046 0.000 0.856 331 N CB -0.177 38.358 38.487 0.081 0.000 0.993 331 N HN 0.077 nan 8.380 nan 0.000 0.426 332 V N 1.232 121.116 119.914 -0.050 0.000 2.343 332 V HA -0.188 3.921 4.120 -0.019 0.000 0.247 332 V C 2.148 178.089 176.094 -0.256 0.000 1.051 332 V CA 1.523 63.716 62.300 -0.179 0.000 1.036 332 V CB -0.401 31.268 31.823 -0.257 0.000 0.654 332 V HN 0.305 nan 8.190 nan 0.000 0.451 333 R N -0.070 120.266 120.500 -0.273 0.000 2.081 333 R HA -0.174 4.155 4.340 -0.019 0.000 0.235 333 R C 2.389 178.588 176.300 -0.169 0.000 1.131 333 R CA 1.581 57.478 56.100 -0.338 0.000 0.960 333 R CB -0.401 29.747 30.300 -0.253 0.000 0.856 333 R HN 0.603 nan 8.270 nan 0.000 0.436 334 Q N 0.405 120.160 119.800 -0.075 0.000 2.079 334 Q HA -0.084 4.244 4.340 -0.019 0.000 0.200 334 Q C 2.279 178.342 176.000 0.105 0.000 0.974 334 Q CA 1.501 57.316 55.803 0.019 0.000 0.840 334 Q CB -0.162 28.721 28.738 0.242 0.000 0.898 334 Q HN 0.367 nan 8.270 nan 0.000 0.430 335 A N 0.978 123.876 122.820 0.130 0.000 1.902 335 A HA -0.173 4.135 4.320 -0.019 0.000 0.217 335 A C 2.049 179.717 177.584 0.139 0.000 1.181 335 A CA 1.155 53.303 52.037 0.185 0.000 0.623 335 A CB -0.635 18.417 19.000 0.086 0.000 0.818 335 A HN 0.302 nan 8.150 nan 0.000 0.443 336 I N -0.254 120.316 120.570 0.001 0.000 2.286 336 I HA -0.207 3.952 4.170 -0.019 0.000 0.248 336 I C 2.625 178.846 176.117 0.173 0.000 1.115 336 I CA 1.051 62.370 61.300 0.033 0.000 1.392 336 I CB -0.422 37.419 38.000 -0.266 0.000 1.065 336 I HN 0.410 nan 8.210 nan 0.000 0.418 337 G N -0.170 108.564 108.800 -0.110 0.000 2.418 337 G HA2 -0.264 3.684 3.960 -0.019 0.000 0.217 337 G HA3 -0.264 3.684 3.960 -0.019 0.000 0.217 337 G C 1.430 176.266 174.900 -0.107 0.000 1.158 337 G CA 0.539 45.410 45.100 -0.382 0.000 0.771 337 G HN 0.259 nan 8.290 nan 0.000 0.545 338 Y N 1.352 121.758 120.300 0.177 0.000 2.274 338 Y HA 0.057 4.594 4.550 -0.021 0.000 0.290 338 Y C 3.061 179.044 175.900 0.139 0.000 1.145 338 Y CA 0.425 58.662 58.100 0.228 0.000 1.203 338 Y CB -0.450 38.129 38.460 0.199 0.000 0.984 338 Y HN 0.269 nan 8.280 nan 0.000 0.533 339 A N 0.219 123.207 122.820 0.280 0.000 1.969 339 A HA -0.107 4.201 4.320 -0.019 0.000 0.218 339 A C 1.399 179.005 177.584 0.037 0.000 1.169 339 A CA 0.362 52.514 52.037 0.190 0.000 0.635 339 A CB -0.455 18.728 19.000 0.304 0.000 0.810 339 A HN 0.218 nan 8.150 nan 0.000 0.445 340 R N 1.485 121.973 120.500 -0.020 0.000 2.570 340 R HA 0.033 4.361 4.340 -0.019 0.000 0.277 340 R C -0.584 175.731 176.300 0.024 0.000 1.039 340 R CA 0.207 56.222 56.100 -0.143 0.000 1.065 340 R CB 0.147 30.220 30.300 -0.378 0.000 0.964 340 R HN 0.608 nan 8.270 nan 0.000 0.428 341 N N 3.040 121.804 118.700 0.107 0.000 3.331 341 N HA -0.002 4.727 4.740 -0.019 0.000 0.303 341 N C 0.633 176.256 175.510 0.188 0.000 1.326 341 N CA -0.119 53.006 53.050 0.124 0.000 1.207 341 N CB 0.521 39.058 38.487 0.084 0.000 1.477 341 N HN 0.230 nan 8.380 nan 0.000 0.541 342 V N 0.650 120.664 119.914 0.166 0.000 2.295 342 V HA -0.247 3.861 4.120 -0.019 0.000 0.246 342 V C 2.526 178.694 176.094 0.123 0.000 1.049 342 V CA 2.218 64.624 62.300 0.176 0.000 1.024 342 V CB -0.925 30.949 31.823 0.086 0.000 0.648 342 V HN 0.621 nan 8.190 nan 0.000 0.447 343 A N -0.406 122.464 122.820 0.084 0.000 1.902 343 A HA -0.281 4.027 4.320 -0.019 0.000 0.217 343 A C 2.309 179.931 177.584 0.063 0.000 1.181 343 A CA 2.033 54.109 52.037 0.066 0.000 0.623 343 A CB -0.534 18.497 19.000 0.052 0.000 0.818 343 A HN 0.632 nan 8.150 nan 0.000 0.443 344 E N -0.240 119.998 120.200 0.063 0.000 2.077 344 E HA -0.135 4.203 4.350 -0.019 0.000 0.193 344 E C 1.872 178.512 176.600 0.065 0.000 0.989 344 E CA 1.417 57.845 56.400 0.047 0.000 0.800 344 E CB -0.126 29.599 29.700 0.041 0.000 0.746 344 E HN 0.307 nan 8.360 nan 0.000 0.452 345 V N 1.859 121.841 119.914 0.114 0.000 2.343 345 V HA -0.244 3.865 4.120 -0.019 0.000 0.247 345 V C 1.810 178.036 176.094 0.219 0.000 1.051 345 V CA 2.118 64.532 62.300 0.191 0.000 1.036 345 V CB -0.467 31.410 31.823 0.090 0.000 0.654 345 V HN 0.303 nan 8.190 nan 0.000 0.451 346 D N 0.075 120.558 120.400 0.138 0.000 2.117 346 D HA -0.132 4.497 4.640 -0.019 0.000 0.197 346 D C 2.053 178.396 176.300 0.071 0.000 0.987 346 D CA 1.088 55.157 54.000 0.114 0.000 0.829 346 D CB -0.399 40.454 40.800 0.088 0.000 0.961 346 D HN 0.397 nan 8.370 nan 0.000 0.460 347 N N 0.872 119.592 118.700 0.034 0.000 2.120 347 N HA -0.106 4.623 4.740 -0.019 0.000 0.188 347 N C 1.713 177.169 175.510 -0.090 0.000 1.024 347 N CA 0.791 53.833 53.050 -0.014 0.000 0.852 347 N CB -0.061 38.416 38.487 -0.017 0.000 1.003 347 N HN 0.257 nan 8.380 nan 0.000 0.424 348 K N -0.293 119.995 120.400 -0.186 0.000 2.001 348 K HA -0.014 4.295 4.320 -0.019 0.000 0.208 348 K C 1.544 177.799 176.600 -0.576 0.000 1.048 348 K CA 1.276 57.253 56.287 -0.516 0.000 0.932 348 K CB -0.100 31.783 32.500 -1.028 0.000 0.715 348 K HN 0.140 nan 8.250 nan 0.000 0.437 349 F N -0.369 119.571 119.950 -0.016 0.000 2.553 349 F HA 0.048 4.578 4.527 0.005 0.000 0.282 349 F C 2.455 178.253 175.800 -0.003 0.000 1.089 349 F CA 0.235 58.226 58.000 -0.015 0.000 1.411 349 F CB -0.377 38.604 39.000 -0.031 0.000 1.125 349 F HN -0.053 nan 8.300 nan 0.000 0.610 350 S N -0.182 115.620 115.700 0.170 0.000 2.423 350 S HA -0.177 4.281 4.470 -0.019 0.000 0.231 350 S C 0.932 175.570 174.600 0.063 0.000 1.014 350 S CA 0.915 59.176 58.200 0.101 0.000 0.965 350 S CB -0.565 62.685 63.200 0.084 0.000 0.785 350 S HN 0.494 nan 8.310 nan 0.000 0.495 351 N N 0.804 119.541 118.700 0.061 0.000 2.829 351 N HA -0.170 4.559 4.740 -0.019 0.000 0.250 351 N C 0.786 176.329 175.510 0.054 0.000 1.090 351 N CA 0.936 54.033 53.050 0.079 0.000 0.781 351 N CB -1.777 36.802 38.487 0.154 0.000 1.124 351 N HN 1.056 nan 8.380 nan 0.000 0.559 352 G N -0.445 108.385 108.800 0.050 0.000 2.179 352 G HA2 -0.342 3.606 3.960 -0.019 0.000 0.260 352 G HA3 -0.342 3.606 3.960 -0.019 0.000 0.260 352 G C 0.928 175.859 174.900 0.052 0.000 0.977 352 G CA 0.563 45.711 45.100 0.079 0.000 0.641 352 G HN 0.396 nan 8.290 nan 0.000 0.533 353 L N 0.524 121.723 121.223 -0.040 0.000 2.291 353 L HA 0.190 4.519 4.340 -0.019 0.000 0.214 353 L C 1.221 178.074 176.870 -0.029 0.000 1.120 353 L CA 1.135 55.914 54.840 -0.101 0.000 0.799 353 L CB -0.004 41.962 42.059 -0.155 0.000 0.925 353 L HN 0.238 nan 8.230 nan 0.000 0.446 354 S N -0.329 115.386 115.700 0.025 0.000 2.449 354 S HA 0.474 4.933 4.470 -0.019 0.000 0.310 354 S C 0.038 174.691 174.600 0.089 0.000 1.096 354 S CA -0.653 57.587 58.200 0.066 0.000 1.095 354 S CB 1.571 64.815 63.200 0.073 0.000 1.007 354 S HN 0.261 nan 8.310 nan 0.000 0.474 355 T N 0.717 115.344 114.554 0.122 0.000 2.861 355 T HA 0.613 4.952 4.350 -0.019 0.000 0.287 355 T C -3.321 171.418 174.700 0.064 0.000 1.003 355 T CA -2.802 59.373 62.100 0.125 0.000 0.977 355 T CB 1.441 70.416 68.868 0.179 0.000 0.996 355 T HN 0.128 nan 8.240 nan 0.000 0.448 356 P HA 0.366 nan 4.420 nan 0.000 0.267 356 P C -0.487 176.628 177.300 -0.309 0.000 1.205 356 P CA -0.225 62.818 63.100 -0.096 0.000 0.765 356 P CB 0.231 31.917 31.700 -0.024 0.000 0.828 357 A N 3.510 125.977 122.820 -0.589 0.000 2.366 357 A HA 0.165 4.474 4.320 -0.019 0.000 0.272 357 A C 1.329 178.664 177.584 -0.415 0.000 1.135 357 A CA -0.417 50.940 52.037 -1.133 0.000 0.804 357 A CB -0.129 18.254 19.000 -1.028 0.000 1.064 357 A HN 0.662 nan 8.150 nan 0.000 0.499 358 N N 1.031 119.628 118.700 -0.172 0.000 2.392 358 N HA -0.011 4.717 4.740 -0.019 0.000 0.177 358 N C 0.233 175.759 175.510 0.027 0.000 1.066 358 N CA 0.908 53.956 53.050 -0.004 0.000 0.895 358 N CB 0.049 38.590 38.487 0.089 0.000 0.988 358 N HN 0.706 nan 8.380 nan 0.000 0.457 359 S N -1.185 114.578 115.700 0.105 0.000 2.688 359 S HA 0.447 4.906 4.470 -0.019 0.000 0.275 359 S C 0.361 175.066 174.600 0.175 0.000 1.175 359 S CA -0.874 57.400 58.200 0.123 0.000 0.818 359 S CB 0.600 63.901 63.200 0.167 0.000 1.157 359 S HN -0.033 nan 8.310 nan 0.000 0.482 360 L N 0.190 121.485 121.223 0.120 0.000 2.478 360 L HA 0.379 4.708 4.340 -0.019 0.000 0.223 360 L C -0.112 176.911 176.870 0.255 0.000 1.140 360 L CA 0.662 55.594 54.840 0.153 0.000 0.842 360 L CB -0.292 41.800 42.059 0.054 0.000 0.953 360 L HN 0.495 nan 8.230 nan 0.000 0.452 361 I N 1.107 121.832 120.570 0.259 0.000 2.418 361 I HA 0.314 4.473 4.170 -0.019 0.000 0.287 361 I C -2.356 173.851 176.117 0.151 0.000 1.008 361 I CA -2.079 59.320 61.300 0.166 0.000 1.104 361 I CB 1.914 39.949 38.000 0.058 0.000 1.264 361 I HN -0.249 nan 8.210 nan 0.000 0.438 362 P HA 0.190 nan 4.420 nan 0.000 0.272 362 P C -2.303 174.913 177.300 -0.140 0.000 1.223 362 P CA -1.481 61.292 63.100 -0.545 0.000 0.784 362 P CB 0.203 31.671 31.700 -0.387 0.000 0.923 363 P HA -0.057 nan 4.420 nan 0.000 0.226 363 P C 1.496 178.781 177.300 -0.025 0.000 1.153 363 P CA 0.959 64.021 63.100 -0.063 0.000 0.777 363 P CB -0.498 31.163 31.700 -0.065 0.000 0.794 364 I N -5.440 115.090 120.570 -0.066 0.000 2.567 364 I HA -0.084 4.075 4.170 -0.019 0.000 0.257 364 I C 0.577 176.557 176.117 -0.229 0.000 1.184 364 I CA 0.977 62.191 61.300 -0.144 0.000 1.451 364 I CB -1.248 36.651 38.000 -0.168 0.000 1.089 364 I HN -0.290 nan 8.210 nan 0.000 0.441 365 F N 2.658 122.619 119.950 0.019 0.000 2.652 365 F HA 0.269 4.784 4.527 -0.020 0.000 0.352 365 F C 1.506 177.294 175.800 -0.020 0.000 1.259 365 F CA -0.162 57.901 58.000 0.106 0.000 1.249 365 F CB -0.048 39.090 39.000 0.230 0.000 1.628 365 F HN -0.096 nan 8.300 nan 0.000 0.654 366 K N 0.302 120.687 120.400 -0.024 0.000 2.097 366 K HA -0.200 4.108 4.320 -0.019 0.000 0.206 366 K C 1.634 178.140 176.600 -0.156 0.000 1.049 366 K CA 1.173 57.408 56.287 -0.087 0.000 0.933 366 K CB -0.014 32.410 32.500 -0.127 0.000 0.717 366 K HN 0.333 nan 8.250 nan 0.000 0.442 367 Q N -0.947 118.640 119.800 -0.355 0.000 2.360 367 Q HA 0.105 4.433 4.340 -0.019 0.000 0.202 367 Q C 0.027 175.561 176.000 -0.777 0.000 0.915 367 Q CA 0.581 56.041 55.803 -0.573 0.000 0.943 367 Q CB 0.506 28.817 28.738 -0.712 0.000 1.064 367 Q HN 0.240 nan 8.270 nan 0.000 0.511 368 F N -2.069 117.831 119.950 -0.085 0.000 2.729 368 F HA 0.411 4.926 4.527 -0.020 0.000 0.315 368 F C 0.579 176.364 175.800 -0.025 0.000 1.102 368 F CA -0.298 57.570 58.000 -0.221 0.000 1.204 368 F CB 0.875 39.432 39.000 -0.738 0.000 1.052 368 F HN -0.245 nan 8.300 nan 0.000 0.551 369 T N -1.333 113.298 114.554 0.127 0.000 2.739 369 T HA 0.643 4.981 4.350 -0.019 0.000 0.303 369 T C -1.501 173.250 174.700 0.085 0.000 1.389 369 T CA -0.457 61.726 62.100 0.138 0.000 1.001 369 T CB 1.696 70.658 68.868 0.156 0.000 1.436 369 T HN -0.090 nan 8.240 nan 0.000 0.500 370 S N -0.320 115.433 115.700 0.088 0.000 2.550 370 S HA 0.527 4.985 4.470 -0.019 0.000 0.270 370 S C 0.782 175.427 174.600 0.075 0.000 1.145 370 S CA -0.259 57.980 58.200 0.064 0.000 0.852 370 S CB 1.652 64.882 63.200 0.050 0.000 1.119 370 S HN 0.631 nan 8.310 nan 0.000 0.465 371 S N 1.508 117.247 115.700 0.064 0.000 2.447 371 S HA -0.080 4.379 4.470 -0.019 0.000 0.233 371 S C 2.094 176.727 174.600 0.054 0.000 1.006 371 S CA 1.476 59.718 58.200 0.070 0.000 0.957 371 S CB -0.326 62.910 63.200 0.059 0.000 0.773 371 S HN 0.858 nan 8.310 nan 0.000 0.507 372 S N 0.949 116.673 115.700 0.041 0.000 2.419 372 S HA -0.015 4.444 4.470 -0.019 0.000 0.233 372 S C 0.745 175.357 174.600 0.021 0.000 1.016 372 S CA 0.220 58.436 58.200 0.026 0.000 0.974 372 S CB -0.530 62.683 63.200 0.021 0.000 0.786 372 S HN 0.171 nan 8.310 nan 0.000 0.492 373 V N 3.260 123.193 119.914 0.031 0.000 2.572 373 V HA 0.255 4.363 4.120 -0.019 0.000 0.291 373 V C 0.205 176.299 176.094 -0.000 0.000 1.039 373 V CA -0.089 62.221 62.300 0.016 0.000 1.055 373 V CB 0.546 32.390 31.823 0.034 0.000 0.969 373 V HN 0.353 nan 8.190 nan 0.000 0.482 374 K N 3.692 124.069 120.400 -0.038 0.000 2.221 374 K HA 0.680 4.989 4.320 -0.019 0.000 0.258 374 K C 0.402 176.908 176.600 -0.156 0.000 0.944 374 K CA -0.195 56.048 56.287 -0.073 0.000 0.823 374 K CB 2.246 34.704 32.500 -0.070 0.000 1.113 374 K HN 0.780 nan 8.250 nan 0.000 0.431 375 G N 0.633 109.311 108.800 -0.204 0.000 3.364 375 G HA2 0.219 4.168 3.960 -0.019 0.000 0.191 375 G HA3 0.219 4.168 3.960 -0.019 0.000 0.191 375 G C -0.589 173.890 174.900 -0.702 0.000 1.352 375 G CA -0.129 44.734 45.100 -0.395 0.000 0.758 375 G HN 0.487 nan 8.290 nan 0.000 0.730 376 Y N 1.519 121.728 120.300 -0.150 0.000 2.696 376 Y HA 0.227 4.764 4.550 -0.021 0.000 0.260 376 Y C 2.186 178.041 175.900 -0.075 0.000 1.165 376 Y CA -0.106 57.896 58.100 -0.164 0.000 1.189 376 Y CB 0.734 39.018 38.460 -0.293 0.000 1.180 376 Y HN 0.442 nan 8.280 nan 0.000 0.538 377 E N 1.319 121.527 120.200 0.012 0.000 2.265 377 E HA -0.164 4.174 4.350 -0.019 0.000 0.196 377 E C 0.338 176.965 176.600 0.045 0.000 0.996 377 E CA 0.815 57.223 56.400 0.013 0.000 0.832 377 E CB 0.197 29.892 29.700 -0.009 0.000 0.756 377 E HN 0.342 nan 8.360 nan 0.000 0.491 378 K N 1.288 121.728 120.400 0.067 0.000 2.323 378 K HA 0.121 4.430 4.320 -0.019 0.000 0.259 378 K C -0.639 176.041 176.600 0.133 0.000 0.947 378 K CA -0.565 55.771 56.287 0.081 0.000 0.819 378 K CB 1.507 34.043 32.500 0.060 0.000 1.109 378 K HN -0.071 nan 8.250 nan 0.000 0.429 379 Q N 2.819 122.686 119.800 0.113 0.000 2.311 379 Q HA -0.044 4.284 4.340 -0.019 0.000 0.272 379 Q C -1.076 174.999 176.000 0.125 0.000 1.012 379 Q CA 0.574 56.457 55.803 0.132 0.000 0.891 379 Q CB 0.629 29.421 28.738 0.090 0.000 1.201 379 Q HN 0.451 nan 8.270 nan 0.000 0.391 380 D N 4.933 125.435 120.400 0.170 0.000 2.400 380 D HA 0.163 4.792 4.640 -0.019 0.000 0.272 380 D C 0.474 176.820 176.300 0.078 0.000 1.220 380 D CA -0.164 53.882 54.000 0.075 0.000 0.897 380 D CB 0.530 41.303 40.800 -0.044 0.000 1.134 380 D HN 0.667 nan 8.370 nan 0.000 0.507 381 L N 1.007 122.272 121.223 0.070 0.000 2.083 381 L HA -0.105 4.224 4.340 -0.019 0.000 0.209 381 L C 1.605 178.502 176.870 0.044 0.000 1.083 381 L CA 0.929 55.812 54.840 0.071 0.000 0.752 381 L CB 0.022 42.117 42.059 0.059 0.000 0.899 381 L HN 0.195 nan 8.230 nan 0.000 0.433 382 D N 0.039 120.447 120.400 0.014 0.000 2.117 382 D HA -0.187 4.441 4.640 -0.019 0.000 0.198 382 D C 2.130 178.415 176.300 -0.025 0.000 0.982 382 D CA 1.086 55.084 54.000 -0.003 0.000 0.828 382 D CB -0.034 40.758 40.800 -0.013 0.000 0.967 382 D HN 0.217 nan 8.370 nan 0.000 0.464 383 K N 0.519 120.873 120.400 -0.076 0.000 2.097 383 K HA -0.062 4.247 4.320 -0.019 0.000 0.205 383 K C 1.974 178.538 176.600 -0.061 0.000 1.050 383 K CA 1.109 57.309 56.287 -0.145 0.000 0.938 383 K CB 0.016 32.288 32.500 -0.381 0.000 0.718 383 K HN 0.022 nan 8.250 nan 0.000 0.442 384 A N 1.588 124.422 122.820 0.023 0.000 1.902 384 A HA -0.174 4.135 4.320 -0.019 0.000 0.217 384 A C 1.839 179.475 177.584 0.086 0.000 1.181 384 A CA 1.604 53.713 52.037 0.120 0.000 0.623 384 A CB -0.594 18.519 19.000 0.188 0.000 0.818 384 A HN 0.350 nan 8.150 nan 0.000 0.443 385 N N -0.227 118.513 118.700 0.066 0.000 2.120 385 N HA -0.157 4.571 4.740 -0.019 0.000 0.188 385 N C 1.752 177.295 175.510 0.055 0.000 1.024 385 N CA 1.601 54.688 53.050 0.062 0.000 0.852 385 N CB -0.302 38.215 38.487 0.050 0.000 1.003 385 N HN 0.661 nan 8.380 nan 0.000 0.424 386 K N 1.047 121.468 120.400 0.034 0.000 2.097 386 K HA -0.030 4.279 4.320 -0.019 0.000 0.206 386 K C 2.134 178.760 176.600 0.044 0.000 1.049 386 K CA 0.636 56.940 56.287 0.029 0.000 0.933 386 K CB -0.057 32.445 32.500 0.003 0.000 0.717 386 K HN 0.059 nan 8.250 nan 0.000 0.442 387 L N 0.876 122.128 121.223 0.050 0.000 2.017 387 L HA -0.204 4.125 4.340 -0.019 0.000 0.208 387 L C 2.356 179.284 176.870 0.098 0.000 1.073 387 L CA 1.120 56.002 54.840 0.070 0.000 0.745 387 L CB -0.316 41.797 42.059 0.090 0.000 0.894 387 L HN 0.216 nan 8.230 nan 0.000 0.432 388 L N -0.821 120.466 121.223 0.106 0.000 2.083 388 L HA -0.224 4.105 4.340 -0.019 0.000 0.209 388 L C 2.231 179.216 176.870 0.192 0.000 1.083 388 L CA 0.983 55.921 54.840 0.163 0.000 0.752 388 L CB -0.578 41.551 42.059 0.118 0.000 0.899 388 L HN 0.291 nan 8.230 nan 0.000 0.433 389 D N 0.194 120.668 120.400 0.123 0.000 2.117 389 D HA -0.177 4.451 4.640 -0.019 0.000 0.197 389 D C 1.928 178.272 176.300 0.073 0.000 0.987 389 D CA 1.221 55.277 54.000 0.094 0.000 0.829 389 D CB 0.025 40.862 40.800 0.062 0.000 0.961 389 D HN 0.417 nan 8.370 nan 0.000 0.460 390 E N -0.037 120.204 120.200 0.067 0.000 2.482 390 E HA -0.101 4.238 4.350 -0.019 0.000 0.196 390 E C 0.412 177.043 176.600 0.052 0.000 1.047 390 E CA 0.276 56.705 56.400 0.047 0.000 0.869 390 E CB 0.217 29.941 29.700 0.039 0.000 0.836 390 E HN 0.100 nan 8.360 nan 0.000 0.520 391 D N -0.966 119.488 120.400 0.091 0.000 2.501 391 D HA 0.113 4.742 4.640 -0.019 0.000 0.226 391 D C 0.820 177.121 176.300 0.002 0.000 1.198 391 D CA 0.396 54.453 54.000 0.093 0.000 0.830 391 D CB 0.285 41.209 40.800 0.206 0.000 1.014 391 D HN 0.138 nan 8.370 nan 0.000 0.496 392 G N 0.196 108.981 108.800 -0.026 0.000 2.162 392 G HA2 -0.299 3.650 3.960 -0.019 0.000 0.260 392 G HA3 -0.299 3.650 3.960 -0.019 0.000 0.260 392 G C -0.038 174.744 174.900 -0.197 0.000 0.976 392 G CA 0.012 45.029 45.100 -0.139 0.000 0.655 392 G HN 0.316 nan 8.290 nan 0.000 0.533 393 W N 1.763 123.068 121.300 0.009 0.000 2.360 393 W HA 0.612 5.261 4.660 -0.017 0.000 0.344 393 W C 0.672 177.204 176.519 0.023 0.000 1.025 393 W CA -0.633 56.720 57.345 0.014 0.000 1.480 393 W CB 0.660 30.127 29.460 0.012 0.000 1.350 393 W HN -0.041 nan 8.180 nan 0.000 0.382 394 K N 3.174 123.691 120.400 0.195 0.000 2.206 394 K HA 0.346 4.654 4.320 -0.019 0.000 0.264 394 K C -0.592 176.088 176.600 0.134 0.000 0.967 394 K CA -1.322 55.039 56.287 0.123 0.000 0.844 394 K CB 1.856 34.387 32.500 0.053 0.000 1.099 394 K HN 0.142 nan 8.250 nan 0.000 0.441 395 L N 3.397 124.686 121.223 0.110 0.000 2.462 395 L HA 0.020 4.349 4.340 -0.019 0.000 0.272 395 L C 0.093 177.007 176.870 0.074 0.000 1.166 395 L CA 0.492 55.388 54.840 0.094 0.000 0.880 395 L CB 0.101 42.198 42.059 0.063 0.000 1.142 395 L HN 0.572 nan 8.230 nan 0.000 0.473 396 N N 4.121 122.871 118.700 0.084 0.000 2.420 396 N HA 0.048 4.776 4.740 -0.019 0.000 0.249 396 N C 0.507 176.042 175.510 0.042 0.000 1.033 396 N CA -0.404 52.686 53.050 0.067 0.000 0.944 396 N CB 0.909 39.450 38.487 0.090 0.000 1.113 396 N HN 0.524 nan 8.380 nan 0.000 0.502 397 K N 1.517 121.934 120.400 0.028 0.000 2.147 397 K HA -0.113 4.196 4.320 -0.019 0.000 0.205 397 K C 1.721 178.328 176.600 0.011 0.000 1.049 397 K CA 0.738 57.033 56.287 0.013 0.000 0.936 397 K CB -0.410 32.098 32.500 0.012 0.000 0.722 397 K HN 0.547 nan 8.250 nan 0.000 0.446 398 S N 1.009 116.723 115.700 0.024 0.000 2.348 398 S HA -0.103 4.356 4.470 -0.019 0.000 0.221 398 S C 1.260 175.880 174.600 0.034 0.000 1.033 398 S CA 1.601 59.817 58.200 0.028 0.000 1.010 398 S CB -0.414 62.807 63.200 0.035 0.000 0.891 398 S HN 0.541 nan 8.310 nan 0.000 0.442 399 T N -2.067 112.521 114.554 0.056 0.000 2.788 399 T HA 0.594 4.933 4.350 -0.019 0.000 0.280 399 T C 1.010 175.698 174.700 -0.021 0.000 0.984 399 T CA -0.132 62.015 62.100 0.077 0.000 0.972 399 T CB 1.135 70.118 68.868 0.191 0.000 1.039 399 T HN 0.254 nan 8.240 nan 0.000 0.530 400 G N -0.485 108.192 108.800 -0.205 0.000 3.371 400 G HA2 0.368 4.317 3.960 -0.019 0.000 0.248 400 G HA3 0.368 4.317 3.960 -0.019 0.000 0.248 400 G C -0.724 173.877 174.900 -0.497 0.000 1.161 400 G CA -0.344 44.519 45.100 -0.395 0.000 0.796 400 G HN 0.632 nan 8.290 nan 0.000 0.539 401 Y N -0.167 120.168 120.300 0.059 0.000 2.485 401 Y HA 0.561 5.099 4.550 -0.020 0.000 0.345 401 Y C 0.636 176.587 175.900 0.085 0.000 0.998 401 Y CA -1.394 56.745 58.100 0.065 0.000 1.059 401 Y CB 1.405 39.899 38.460 0.058 0.000 1.234 401 Y HN -0.107 nan 8.280 nan 0.000 0.461 402 R N 1.657 122.318 120.500 0.267 0.000 2.594 402 R HA 0.369 4.698 4.340 -0.019 0.000 0.272 402 R C -0.811 175.701 176.300 0.353 0.000 1.074 402 R CA -0.324 55.936 56.100 0.267 0.000 1.105 402 R CB 0.546 31.004 30.300 0.263 0.000 1.008 402 R HN 0.678 nan 8.270 nan 0.000 0.472 403 E N 1.059 121.475 120.200 0.360 0.000 2.367 403 E HA 0.311 4.650 4.350 -0.019 0.000 0.273 403 E C -1.202 175.466 176.600 0.113 0.000 0.903 403 E CA -0.977 55.616 56.400 0.321 0.000 0.764 403 E CB 2.787 32.583 29.700 0.161 0.000 1.252 403 E HN 0.245 nan 8.360 nan 0.000 0.446 404 K N 2.098 122.385 120.400 -0.189 0.000 2.471 404 K HA 0.152 4.460 4.320 -0.019 0.000 0.252 404 K C -1.214 175.205 176.600 -0.302 0.000 0.938 404 K CA -0.408 55.555 56.287 -0.539 0.000 0.796 404 K CB 0.946 32.579 32.500 -1.446 0.000 1.161 404 K HN 0.523 nan 8.250 nan 0.000 0.425 405 D N 3.225 123.504 120.400 -0.201 0.000 2.751 405 D HA -0.201 4.428 4.640 -0.019 0.000 0.233 405 D C 0.689 176.952 176.300 -0.061 0.000 1.149 405 D CA 1.776 55.705 54.000 -0.118 0.000 0.682 405 D CB -1.213 39.512 40.800 -0.124 0.000 1.068 405 D HN 1.105 nan 8.370 nan 0.000 0.429 406 G N -1.268 107.511 108.800 -0.035 0.000 2.234 406 G HA2 -0.353 3.596 3.960 -0.019 0.000 0.260 406 G HA3 -0.353 3.596 3.960 -0.019 0.000 0.260 406 G C 0.200 175.122 174.900 0.037 0.000 0.987 406 G CA 0.572 45.675 45.100 0.005 0.000 0.625 406 G HN 0.324 nan 8.290 nan 0.000 0.532 407 K N 1.360 121.788 120.400 0.048 0.000 2.211 407 K HA 0.493 4.801 4.320 -0.019 0.000 0.275 407 K C 0.226 176.952 176.600 0.210 0.000 1.024 407 K CA -0.725 55.626 56.287 0.107 0.000 0.887 407 K CB 1.682 34.248 32.500 0.110 0.000 1.084 407 K HN 0.561 nan 8.250 nan 0.000 0.463 408 E N 1.992 122.284 120.200 0.154 0.000 2.384 408 E HA -0.016 4.323 4.350 -0.019 0.000 0.266 408 E C -0.578 176.100 176.600 0.129 0.000 1.012 408 E CA -0.561 55.929 56.400 0.152 0.000 0.901 408 E CB 0.545 30.281 29.700 0.061 0.000 0.967 408 E HN 0.216 nan 8.360 nan 0.000 0.435 409 L N 4.818 126.088 121.223 0.080 0.000 2.404 409 L HA 0.181 4.510 4.340 -0.019 0.000 0.277 409 L C -0.766 175.984 176.870 -0.200 0.000 1.184 409 L CA 0.564 55.278 54.840 -0.211 0.000 1.013 409 L CB -0.134 41.656 42.059 -0.449 0.000 1.318 409 L HN 0.319 nan 8.230 nan 0.000 0.435 410 S N 4.944 120.545 115.700 -0.165 0.000 2.521 410 S HA 0.844 5.303 4.470 -0.019 0.000 0.295 410 S C -0.907 173.619 174.600 -0.124 0.000 1.098 410 S CA -0.659 57.445 58.200 -0.160 0.000 0.999 410 S CB 0.914 64.028 63.200 -0.143 0.000 1.034 410 S HN 0.468 nan 8.310 nan 0.000 0.483 411 L N 3.160 124.318 121.223 -0.109 0.000 2.350 411 L HA 0.706 5.035 4.340 -0.019 0.000 0.260 411 L C -1.065 175.826 176.870 0.034 0.000 1.015 411 L CA -1.187 53.614 54.840 -0.066 0.000 0.821 411 L CB 2.332 44.301 42.059 -0.150 0.000 1.370 411 L HN 0.415 nan 8.230 nan 0.000 0.416 412 V N 1.146 121.129 119.914 0.114 0.000 2.370 412 V HA 0.283 4.392 4.120 -0.019 0.000 0.283 412 V C -1.190 175.125 176.094 0.369 0.000 1.023 412 V CA -0.530 61.907 62.300 0.229 0.000 0.857 412 V CB 1.424 33.402 31.823 0.260 0.000 0.985 412 V HN 0.441 nan 8.190 nan 0.000 0.443 413 Y N 4.938 125.370 120.300 0.219 0.000 2.417 413 Y HA 0.652 5.190 4.550 -0.021 0.000 0.336 413 Y C 0.410 176.456 175.900 0.242 0.000 0.961 413 Y CA -2.078 56.166 58.100 0.240 0.000 1.215 413 Y CB 1.191 39.797 38.460 0.244 0.000 1.120 413 Y HN 0.656 nan 8.280 nan 0.000 0.499 414 A N 6.363 129.387 122.820 0.338 0.000 3.091 414 A HA 0.633 4.941 4.320 -0.019 0.000 0.264 414 A C 0.571 178.101 177.584 -0.091 0.000 1.673 414 A CA 0.091 52.153 52.037 0.041 0.000 1.362 414 A CB -1.404 17.497 19.000 -0.165 0.000 1.137 414 A HN 0.882 nan 8.150 nan 0.000 0.617 415 A N 2.021 124.576 122.820 -0.442 0.000 2.366 415 A HA 0.624 4.933 4.320 -0.019 0.000 0.249 415 A C 0.751 178.182 177.584 -0.256 0.000 1.084 415 A CA -0.249 51.508 52.037 -0.466 0.000 0.794 415 A CB 0.255 18.794 19.000 -0.768 0.000 1.034 415 A HN 0.993 nan 8.150 nan 0.000 0.491 416 R N 0.366 120.717 120.500 -0.247 0.000 2.808 416 R HA 0.674 5.002 4.340 -0.019 0.000 0.272 416 R C -1.410 174.788 176.300 -0.170 0.000 0.995 416 R CA -0.733 55.226 56.100 -0.236 0.000 0.917 416 R CB 0.865 30.896 30.300 -0.448 0.000 1.217 416 R HN 0.385 nan 8.270 nan 0.000 0.471 417 V N 0.091 119.939 119.914 -0.111 0.000 3.133 417 V HA 0.482 4.591 4.120 -0.019 0.000 0.305 417 V C 0.831 176.879 176.094 -0.076 0.000 1.084 417 V CA 0.157 62.410 62.300 -0.078 0.000 1.089 417 V CB 1.376 33.176 31.823 -0.039 0.000 1.073 417 V HN 0.967 nan 8.190 nan 0.000 0.477 418 G N 0.682 109.425 108.800 -0.094 0.000 4.040 418 G HA2 0.367 4.315 3.960 -0.019 0.000 0.328 418 G HA3 0.367 4.315 3.960 -0.019 0.000 0.328 418 G C -0.726 174.117 174.900 -0.097 0.000 1.503 418 G CA -0.424 44.622 45.100 -0.090 0.000 0.909 418 G HN 0.582 nan 8.290 nan 0.000 0.495 419 D N 1.334 121.678 120.400 -0.092 0.000 2.357 419 D HA 0.422 5.051 4.640 -0.019 0.000 0.242 419 D C 1.010 177.269 176.300 -0.068 0.000 1.153 419 D CA 0.239 54.195 54.000 -0.073 0.000 0.918 419 D CB 1.627 42.395 40.800 -0.055 0.000 1.181 419 D HN 0.497 nan 8.370 nan 0.000 0.435 420 A N 1.646 124.436 122.820 -0.050 0.000 2.498 420 A HA 0.122 4.430 4.320 -0.019 0.000 0.239 420 A C 0.585 178.127 177.584 -0.070 0.000 1.068 420 A CA -0.105 51.907 52.037 -0.041 0.000 0.766 420 A CB -0.431 18.565 19.000 -0.008 0.000 1.003 420 A HN 0.777 nan 8.150 nan 0.000 0.497 421 N N -0.209 118.437 118.700 -0.091 0.000 2.735 421 N HA -0.249 4.479 4.740 -0.019 0.000 0.248 421 N C 0.854 176.230 175.510 -0.223 0.000 1.083 421 N CA 0.726 53.668 53.050 -0.181 0.000 0.703 421 N CB -1.248 37.069 38.487 -0.284 0.000 1.005 421 N HN 0.947 nan 8.380 nan 0.000 0.550 422 A N 0.226 122.956 122.820 -0.151 0.000 1.902 422 A HA -0.189 4.120 4.320 -0.019 0.000 0.217 422 A C 2.090 179.583 177.584 -0.153 0.000 1.181 422 A CA 1.337 53.289 52.037 -0.142 0.000 0.623 422 A CB -0.103 18.830 19.000 -0.111 0.000 0.818 422 A HN 0.408 nan 8.150 nan 0.000 0.443 423 E N -0.459 119.658 120.200 -0.140 0.000 2.077 423 E HA -0.133 4.205 4.350 -0.019 0.000 0.193 423 E C 2.146 178.650 176.600 -0.160 0.000 0.989 423 E CA 1.763 58.088 56.400 -0.124 0.000 0.800 423 E CB -0.599 29.045 29.700 -0.093 0.000 0.746 423 E HN 0.605 nan 8.360 nan 0.000 0.452 424 T N 1.697 116.113 114.554 -0.230 0.000 2.746 424 T HA -0.087 4.252 4.350 -0.019 0.000 0.267 424 T C 2.136 176.585 174.700 -0.418 0.000 1.039 424 T CA 0.899 62.806 62.100 -0.322 0.000 1.142 424 T CB -0.189 68.408 68.868 -0.452 0.000 0.866 424 T HN 0.103 nan 8.240 nan 0.000 0.444 425 I N 1.364 121.648 120.570 -0.477 0.000 2.226 425 I HA -0.155 4.003 4.170 -0.019 0.000 0.245 425 I C 2.901 178.755 176.117 -0.437 0.000 1.100 425 I CA 1.068 62.060 61.300 -0.513 0.000 1.374 425 I CB -0.464 37.302 38.000 -0.389 0.000 1.057 425 I HN 0.184 nan 8.210 nan 0.000 0.413 426 A N 0.070 122.788 122.820 -0.170 0.000 1.898 426 A HA -0.268 4.041 4.320 -0.019 0.000 0.216 426 A C 2.257 179.892 177.584 0.086 0.000 1.181 426 A CA 1.725 53.806 52.037 0.072 0.000 0.620 426 A CB -0.583 18.413 19.000 -0.008 0.000 0.819 426 A HN 0.367 nan 8.150 nan 0.000 0.442 427 Q N 0.346 120.126 119.800 -0.033 0.000 2.124 427 Q HA -0.146 4.183 4.340 -0.019 0.000 0.202 427 Q C 2.008 177.975 176.000 -0.055 0.000 0.977 427 Q CA 1.817 57.614 55.803 -0.009 0.000 0.850 427 Q CB -0.421 28.296 28.738 -0.035 0.000 0.901 427 Q HN 0.712 nan 8.270 nan 0.000 0.429 428 N N -1.027 117.564 118.700 -0.183 0.000 2.120 428 N HA -0.172 4.557 4.740 -0.019 0.000 0.188 428 N C 1.311 176.681 175.510 -0.232 0.000 1.024 428 N CA 1.322 54.240 53.050 -0.220 0.000 0.852 428 N CB -0.100 38.181 38.487 -0.342 0.000 1.003 428 N HN 0.303 nan 8.380 nan 0.000 0.424 429 Y N 1.357 121.505 120.300 -0.253 0.000 2.224 429 Y HA -0.018 4.520 4.550 -0.020 0.000 0.289 429 Y C 2.404 177.844 175.900 -0.766 0.000 1.146 429 Y CA 0.299 57.995 58.100 -0.673 0.000 1.182 429 Y CB -0.688 37.309 38.460 -0.772 0.000 0.983 429 Y HN 0.051 nan 8.280 nan 0.000 0.524 430 I N -0.264 120.303 120.570 -0.006 0.000 2.286 430 I HA -0.320 3.839 4.170 -0.019 0.000 0.248 430 I C 2.247 178.481 176.117 0.195 0.000 1.115 430 I CA 1.149 62.626 61.300 0.296 0.000 1.392 430 I CB -0.242 37.950 38.000 0.319 0.000 1.065 430 I HN 0.220 nan 8.210 nan 0.000 0.418 431 Q N 0.249 120.088 119.800 0.066 0.000 2.119 431 Q HA -0.200 4.128 4.340 -0.019 0.000 0.201 431 Q C 2.169 178.183 176.000 0.023 0.000 0.972 431 Q CA 1.178 57.013 55.803 0.053 0.000 0.847 431 Q CB -0.424 28.327 28.738 0.021 0.000 0.903 431 Q HN 0.554 nan 8.270 nan 0.000 0.433 432 Q N -0.669 119.077 119.800 -0.090 0.000 2.124 432 Q HA -0.128 4.200 4.340 -0.019 0.000 0.202 432 Q C 1.899 177.900 176.000 0.003 0.000 0.977 432 Q CA 0.874 56.611 55.803 -0.110 0.000 0.850 432 Q CB -0.395 28.199 28.738 -0.239 0.000 0.901 432 Q HN 0.502 nan 8.270 nan 0.000 0.429 433 W N 1.607 122.965 121.300 0.097 0.000 2.402 433 W HA -0.019 4.633 4.660 -0.013 0.000 0.286 433 W C 2.042 178.626 176.519 0.108 0.000 1.221 433 W CA 0.467 57.859 57.345 0.080 0.000 1.257 433 W CB -0.633 28.864 29.460 0.062 0.000 1.120 433 W HN 0.217 nan 8.180 nan 0.000 0.551 434 K N 1.110 121.707 120.400 0.329 0.000 2.097 434 K HA -0.183 4.125 4.320 -0.019 0.000 0.206 434 K C 1.847 178.517 176.600 0.117 0.000 1.049 434 K CA 1.294 57.728 56.287 0.246 0.000 0.933 434 K CB -0.126 32.491 32.500 0.194 0.000 0.717 434 K HN 0.062 nan 8.250 nan 0.000 0.442 435 K N 0.589 121.054 120.400 0.108 0.000 2.209 435 K HA -0.117 4.191 4.320 -0.019 0.000 0.204 435 K C 1.841 178.489 176.600 0.079 0.000 1.048 435 K CA 1.406 57.733 56.287 0.068 0.000 0.940 435 K CB -0.127 32.409 32.500 0.060 0.000 0.729 435 K HN 0.396 nan 8.250 nan 0.000 0.451 436 I N -3.442 117.206 120.570 0.131 0.000 3.904 436 I HA 0.309 4.467 4.170 -0.019 0.000 0.333 436 I C 0.551 176.738 176.117 0.116 0.000 1.361 436 I CA 0.040 61.415 61.300 0.125 0.000 1.116 436 I CB 0.281 38.375 38.000 0.156 0.000 1.028 436 I HN 0.115 nan 8.210 nan 0.000 0.398 437 G N 1.669 110.540 108.800 0.118 0.000 2.176 437 G HA2 -0.198 3.751 3.960 -0.019 0.000 0.252 437 G HA3 -0.198 3.751 3.960 -0.019 0.000 0.252 437 G C -0.067 175.010 174.900 0.296 0.000 1.024 437 G CA 0.231 45.425 45.100 0.156 0.000 0.755 437 G HN 0.367 nan 8.290 nan 0.000 0.507 438 V N 0.106 120.193 119.914 0.287 0.000 2.417 438 V HA 0.487 4.596 4.120 -0.019 0.000 0.291 438 V C 0.557 176.770 176.094 0.199 0.000 1.024 438 V CA -1.041 61.346 62.300 0.144 0.000 0.861 438 V CB 1.894 33.697 31.823 -0.035 0.000 0.985 438 V HN 0.317 nan 8.190 nan 0.000 0.436 439 K N 3.586 123.930 120.400 -0.094 0.000 2.285 439 K HA 0.603 4.912 4.320 -0.019 0.000 0.286 439 K C -1.214 175.338 176.600 -0.079 0.000 1.072 439 K CA -0.261 55.866 56.287 -0.266 0.000 0.913 439 K CB 1.184 33.254 32.500 -0.716 0.000 1.067 439 K HN 0.543 nan 8.250 nan 0.000 0.479 440 V N 2.976 122.937 119.914 0.079 0.000 2.487 440 V HA 0.340 4.449 4.120 -0.019 0.000 0.298 440 V C -0.603 175.608 176.094 0.195 0.000 1.028 440 V CA -0.740 61.645 62.300 0.142 0.000 0.860 440 V CB 1.838 33.827 31.823 0.276 0.000 0.991 440 V HN 0.756 nan 8.190 nan 0.000 0.427 441 S N 4.220 120.024 115.700 0.173 0.000 2.568 441 S HA 0.717 5.175 4.470 -0.019 0.000 0.293 441 S C -0.455 174.264 174.600 0.200 0.000 1.089 441 S CA -0.672 57.626 58.200 0.163 0.000 0.945 441 S CB 1.772 65.023 63.200 0.085 0.000 1.077 441 S HN 0.543 nan 8.310 nan 0.000 0.485 442 L N 2.193 123.503 121.223 0.145 0.000 2.461 442 L HA 0.207 4.536 4.340 -0.019 0.000 0.272 442 L C -0.073 176.866 176.870 0.116 0.000 1.197 442 L CA -0.341 54.558 54.840 0.099 0.000 0.836 442 L CB 0.077 42.150 42.059 0.023 0.000 1.105 442 L HN 0.688 nan 8.230 nan 0.000 0.477 443 Y N 4.066 124.373 120.300 0.012 0.000 2.605 443 Y HA -0.065 4.473 4.550 -0.019 0.000 0.336 443 Y C 1.048 176.938 175.900 -0.016 0.000 1.111 443 Y CA 0.193 58.303 58.100 0.017 0.000 1.422 443 Y CB -0.069 38.391 38.460 0.000 0.000 1.193 443 Y HN 0.744 nan 8.280 nan 0.000 0.526 444 N N 4.108 122.569 118.700 -0.398 0.000 2.741 444 N HA -0.210 4.518 4.740 -0.019 0.000 0.250 444 N C 0.730 176.174 175.510 -0.110 0.000 1.115 444 N CA 1.586 54.465 53.050 -0.286 0.000 0.724 444 N CB -1.328 36.965 38.487 -0.323 0.000 1.090 444 N HN 1.366 nan 8.380 nan 0.000 0.558 445 G N -1.097 107.668 108.800 -0.059 0.000 2.155 445 G HA2 -0.350 3.598 3.960 -0.019 0.000 0.257 445 G HA3 -0.350 3.598 3.960 -0.019 0.000 0.257 445 G C -0.045 174.847 174.900 -0.013 0.000 0.983 445 G CA 1.419 46.505 45.100 -0.023 0.000 0.676 445 G HN 1.027 nan 8.290 nan 0.000 0.528 446 K N -1.495 118.899 120.400 -0.009 0.000 2.571 446 K HA 0.738 5.046 4.320 -0.019 0.000 0.289 446 K C -0.004 176.586 176.600 -0.018 0.000 1.028 446 K CA -1.345 54.934 56.287 -0.014 0.000 0.895 446 K CB 0.781 33.274 32.500 -0.013 0.000 1.534 446 K HN 0.105 nan 8.250 nan 0.000 0.421 450 F N 2.632 122.564 119.950 -0.030 0.000 2.102 450 F HA -0.166 4.350 4.527 -0.019 0.000 0.298 450 F C 1.557 177.396 175.800 0.065 0.000 1.105 450 F CA 1.976 59.968 58.000 -0.013 0.000 1.239 450 F CB 0.140 39.105 39.000 -0.058 0.000 0.991 450 F HN 0.354 nan 8.300 nan 0.000 0.474 451 N N -0.163 118.587 118.700 0.083 0.000 2.166 451 N HA -0.190 4.538 4.740 -0.019 0.000 0.186 451 N C 2.161 177.622 175.510 -0.082 0.000 1.019 451 N CA 1.406 54.450 53.050 -0.011 0.000 0.856 451 N CB -0.859 37.670 38.487 0.070 0.000 0.993 451 N HN 0.343 nan 8.380 nan 0.000 0.426 452 S N -0.247 115.428 115.700 -0.041 0.000 2.368 452 S HA -0.143 4.316 4.470 -0.019 0.000 0.225 452 S C 1.747 176.276 174.600 -0.118 0.000 1.030 452 S CA 1.009 59.175 58.200 -0.057 0.000 0.999 452 S CB -0.369 62.816 63.200 -0.026 0.000 0.844 452 S HN 0.571 nan 8.310 nan 0.000 0.459 453 W N 1.669 122.762 121.300 -0.346 0.000 2.363 453 W HA -0.097 4.554 4.660 -0.015 0.000 0.296 453 W C 1.862 178.065 176.519 -0.528 0.000 1.212 453 W CA 1.421 58.492 57.345 -0.458 0.000 1.260 453 W CB -0.474 28.694 29.460 -0.485 0.000 1.131 453 W HN 0.098 nan 8.180 nan 0.000 0.530 454 V N 1.121 120.793 119.914 -0.403 0.000 2.343 454 V HA -0.315 3.794 4.120 -0.019 0.000 0.247 454 V C 2.040 177.837 176.094 -0.496 0.000 1.051 454 V CA 2.383 64.345 62.300 -0.563 0.000 1.036 454 V CB -0.948 30.630 31.823 -0.409 0.000 0.654 454 V HN 0.087 nan 8.190 nan 0.000 0.451 455 D N -1.601 118.618 120.400 -0.301 0.000 2.117 455 D HA -0.094 4.534 4.640 -0.019 0.000 0.197 455 D C 1.277 177.433 176.300 -0.241 0.000 0.987 455 D CA 0.972 54.852 54.000 -0.200 0.000 0.829 455 D CB -0.281 40.464 40.800 -0.092 0.000 0.961 455 D HN 0.535 nan 8.370 nan 0.000 0.460 459 T N 5.230 119.757 114.554 -0.045 0.000 2.727 459 T HA 0.556 4.895 4.350 -0.019 0.000 0.295 459 T C -2.685 172.038 174.700 0.038 0.000 0.915 459 T CA -0.698 61.401 62.100 -0.002 0.000 1.066 459 T CB 1.045 69.889 68.868 -0.041 0.000 0.891 459 T HN 0.270 nan 8.240 nan 0.000 0.516 460 P HA 0.215 nan 4.420 nan 0.000 0.271 460 P C -1.641 175.705 177.300 0.078 0.000 1.218 460 P CA -1.411 61.778 63.100 0.148 0.000 0.780 460 P CB 0.211 32.047 31.700 0.227 0.000 0.901 461 P HA 0.156 nan 4.420 nan 0.000 0.255 461 P C 0.200 177.529 177.300 0.048 0.000 1.248 461 P CA 0.414 63.576 63.100 0.103 0.000 0.807 461 P CB 0.092 31.825 31.700 0.054 0.000 1.150 462 G N 0.025 108.850 108.800 0.042 0.000 2.674 462 G HA2 0.224 4.173 3.960 -0.019 0.000 0.686 462 G HA3 0.224 4.173 3.960 -0.019 0.000 0.686 462 G C -0.523 174.382 174.900 0.008 0.000 1.195 462 G CA -0.574 44.569 45.100 0.070 0.000 0.776 462 G HN 0.329 nan 8.290 nan 0.000 0.654 463 A N 0.546 123.372 122.820 0.009 0.000 2.407 463 A HA 0.670 4.979 4.320 -0.019 0.000 0.248 463 A C 1.071 178.654 177.584 -0.002 0.000 1.082 463 A CA 0.543 52.582 52.037 0.004 0.000 0.785 463 A CB 0.777 19.714 19.000 -0.105 0.000 1.020 463 A HN 1.394 nan 8.150 nan 0.000 0.489 464 N N -0.304 118.397 118.700 0.002 0.000 2.203 464 N HA 0.012 4.740 4.740 -0.019 0.000 0.207 464 N C 0.099 175.614 175.510 0.008 0.000 1.130 464 N CA 0.627 53.643 53.050 -0.056 0.000 0.861 464 N CB 0.372 38.839 38.487 -0.034 0.000 1.005 464 N HN 0.666 nan 8.380 nan 0.000 0.507 465 D N -0.703 119.800 120.400 0.172 0.000 2.388 465 D HA 0.006 4.634 4.640 -0.019 0.000 0.221 465 D C -0.099 176.488 176.300 0.478 0.000 1.133 465 D CA -0.452 53.731 54.000 0.305 0.000 0.831 465 D CB -0.597 40.436 40.800 0.388 0.000 0.962 465 D HN 0.296 nan 8.370 nan 0.000 0.502 466 W N 0.410 121.847 121.300 0.228 0.000 3.032 466 W HA 0.493 5.142 4.660 -0.019 0.000 0.335 466 W C -0.939 175.679 176.519 0.165 0.000 1.154 466 W CA -0.698 56.774 57.345 0.210 0.000 1.204 466 W CB 1.071 30.615 29.460 0.141 0.000 1.416 466 W HN -0.347 nan 8.180 nan 0.000 0.521 467 D N 1.675 122.279 120.400 0.340 0.000 2.615 467 D HA 0.210 4.839 4.640 -0.019 0.000 0.259 467 D C 0.465 177.026 176.300 0.435 0.000 0.999 467 D CA 0.807 54.896 54.000 0.149 0.000 0.938 467 D CB 1.580 42.418 40.800 0.064 0.000 1.121 467 D HN 0.218 nan 8.370 nan 0.000 0.487 468 I N 0.293 121.217 120.570 0.590 0.000 2.509 468 I HA 0.323 4.482 4.170 -0.019 0.000 0.293 468 I C -0.183 176.303 176.117 0.614 0.000 1.020 468 I CA -0.329 61.290 61.300 0.532 0.000 1.088 468 I CB 2.620 40.697 38.000 0.128 0.000 1.267 468 I HN -0.237 nan 8.210 nan 0.000 0.430 469 T N 2.853 117.694 114.554 0.477 0.000 2.816 469 T HA 0.377 4.715 4.350 -0.019 0.000 0.299 469 T C -1.880 173.042 174.700 0.370 0.000 1.230 469 T CA -0.612 61.698 62.100 0.350 0.000 1.007 469 T CB 1.715 70.541 68.868 -0.069 0.000 1.289 469 T HN 0.500 nan 8.240 nan 0.000 0.508 470 D N 0.738 121.318 120.400 0.299 0.000 2.256 470 D HA 0.626 5.255 4.640 -0.019 0.000 0.246 470 D C -0.078 176.288 176.300 0.109 0.000 1.042 470 D CA -0.132 53.985 54.000 0.194 0.000 0.841 470 D CB 1.863 42.730 40.800 0.111 0.000 1.223 470 D HN 0.758 nan 8.370 nan 0.000 0.470 471 G N -0.349 108.591 108.800 0.235 0.000 2.694 471 G HA2 0.653 4.602 3.960 -0.019 0.000 0.290 471 G HA3 0.653 4.602 3.960 -0.019 0.000 0.290 471 G C -1.182 173.717 174.900 -0.001 0.000 1.386 471 G CA -0.705 44.513 45.100 0.197 0.000 0.872 471 G HN 0.458 nan 8.290 nan 0.000 0.475 472 S N -1.500 114.058 115.700 -0.236 0.000 2.550 472 S HA 0.773 5.232 4.470 -0.019 0.000 0.270 472 S C -1.925 172.353 174.600 -0.538 0.000 1.145 472 S CA -0.946 57.064 58.200 -0.316 0.000 0.852 472 S CB 1.552 64.621 63.200 -0.219 0.000 1.119 472 S HN 0.730 nan 8.310 nan 0.000 0.465 473 W N 0.602 121.840 121.300 -0.103 0.000 3.033 473 W HA 0.682 5.330 4.660 -0.019 0.000 0.336 473 W C -0.053 176.444 176.519 -0.037 0.000 1.173 473 W CA -0.675 56.654 57.345 -0.026 0.000 1.185 473 W CB 2.224 31.679 29.460 -0.008 0.000 1.425 473 W HN 0.775 nan 8.180 nan 0.000 0.536 474 S N 2.887 118.795 115.700 0.347 0.000 2.438 474 S HA 0.612 5.071 4.470 -0.019 0.000 0.293 474 S C -0.770 173.957 174.600 0.211 0.000 1.141 474 S CA -0.493 57.875 58.200 0.280 0.000 1.080 474 S CB 0.068 63.418 63.200 0.249 0.000 0.978 474 S HN 0.463 nan 8.310 nan 0.000 0.479 475 L N 4.404 125.734 121.223 0.178 0.000 2.312 475 L HA 0.590 4.918 4.340 -0.019 0.000 0.281 475 L C 0.903 177.813 176.870 0.068 0.000 1.070 475 L CA -0.760 54.133 54.840 0.089 0.000 0.805 475 L CB 1.207 43.306 42.059 0.067 0.000 1.174 475 L HN 0.829 nan 8.230 nan 0.000 0.434 476 A N 2.363 125.166 122.820 -0.028 0.000 2.327 476 A HA 0.237 4.546 4.320 -0.019 0.000 0.255 476 A C 1.277 178.810 177.584 -0.086 0.000 1.099 476 A CA -0.126 51.863 52.037 -0.079 0.000 0.801 476 A CB 0.481 19.412 19.000 -0.115 0.000 1.062 476 A HN 0.794 nan 8.150 nan 0.000 0.496 477 S N -0.642 114.930 115.700 -0.213 0.000 2.399 477 S HA -0.096 4.363 4.470 -0.019 0.000 0.231 477 S C 0.893 175.457 174.600 -0.060 0.000 1.022 477 S CA 1.733 59.732 58.200 -0.334 0.000 0.983 477 S CB -0.186 62.767 63.200 -0.412 0.000 0.803 477 S HN 0.748 nan 8.310 nan 0.000 0.480 478 E N 2.513 122.636 120.200 -0.130 0.000 2.046 478 E HA 0.177 4.516 4.350 -0.019 0.000 0.279 478 E C -2.603 173.832 176.600 -0.276 0.000 0.989 478 E CA -2.582 53.700 56.400 -0.196 0.000 0.798 478 E CB 0.885 30.496 29.700 -0.149 0.000 1.086 478 E HN 0.029 nan 8.360 nan 0.000 0.399 479 P HA 0.071 nan 4.420 nan 0.000 0.218 479 P C -0.507 176.602 177.300 -0.319 0.000 1.793 479 P CA -0.291 62.489 63.100 -0.534 0.000 0.941 479 P CB 0.045 31.061 31.700 -1.141 0.000 1.919 480 S N 1.399 116.968 115.700 -0.219 0.000 2.537 480 S HA 0.019 4.478 4.470 -0.019 0.000 0.286 480 S C 1.228 175.728 174.600 -0.167 0.000 1.299 480 S CA -0.144 57.967 58.200 -0.148 0.000 1.067 480 S CB 0.294 63.404 63.200 -0.150 0.000 0.864 480 S HN 0.167 nan 8.310 nan 0.000 0.494 481 Q N 2.894 122.606 119.800 -0.146 0.000 2.360 481 Q HA 0.076 4.404 4.340 -0.019 0.000 0.202 481 Q C 1.621 177.511 176.000 -0.183 0.000 0.915 481 Q CA 0.173 55.911 55.803 -0.109 0.000 0.943 481 Q CB -0.031 28.671 28.738 -0.060 0.000 1.064 481 Q HN 0.707 nan 8.270 nan 0.000 0.511 482 Q N 0.985 120.662 119.800 -0.205 0.000 2.084 482 Q HA -0.126 4.203 4.340 -0.019 0.000 0.202 482 Q C 0.939 176.785 176.000 -0.256 0.000 0.978 482 Q CA 1.260 56.946 55.803 -0.195 0.000 0.844 482 Q CB 0.094 28.738 28.738 -0.157 0.000 0.898 482 Q HN 0.381 nan 8.270 nan 0.000 0.426 483 D N -0.354 119.851 120.400 -0.326 0.000 2.347 483 D HA 0.007 4.636 4.640 -0.019 0.000 0.215 483 D C 1.759 177.729 176.300 -0.549 0.000 0.976 483 D CA 0.392 54.152 54.000 -0.401 0.000 0.884 483 D CB 0.265 40.836 40.800 -0.382 0.000 0.915 483 D HN 0.229 nan 8.370 nan 0.000 0.526 484 L N -1.693 119.127 121.223 -0.671 0.000 2.349 484 L HA 0.135 4.463 4.340 -0.019 0.000 0.200 484 L C 0.932 177.219 176.870 -0.973 0.000 1.064 484 L CA 0.473 54.659 54.840 -1.090 0.000 0.821 484 L CB 0.058 41.163 42.059 -1.590 0.000 1.027 484 L HN -0.127 nan 8.230 nan 0.000 0.476 485 F N -0.374 119.518 119.950 -0.097 0.000 2.729 485 F HA 0.209 4.724 4.527 -0.020 0.000 0.315 485 F C 1.354 177.067 175.800 -0.145 0.000 1.102 485 F CA -0.836 57.171 58.000 0.011 0.000 1.204 485 F CB -0.153 39.047 39.000 0.334 0.000 1.052 485 F HN -0.113 nan 8.300 nan 0.000 0.551 486 S N 0.547 116.202 115.700 -0.075 0.000 2.600 486 S HA 0.527 4.985 4.470 -0.019 0.000 0.265 486 S C 1.578 176.063 174.600 -0.191 0.000 1.325 486 S CA -0.072 58.062 58.200 -0.111 0.000 1.002 486 S CB 1.548 64.686 63.200 -0.103 0.000 0.921 486 S HN 0.192 nan 8.310 nan 0.000 0.554 487 A N 1.516 124.248 122.820 -0.147 0.000 1.972 487 A HA 0.201 4.510 4.320 -0.019 0.000 0.219 487 A C 2.199 179.756 177.584 -0.045 0.000 1.169 487 A CA 1.573 53.534 52.037 -0.128 0.000 0.635 487 A CB -1.399 17.553 19.000 -0.080 0.000 0.810 487 A HN 1.392 nan 8.150 nan 0.000 0.446 488 A N -0.938 121.861 122.820 -0.034 0.000 2.238 488 A HA 0.612 4.921 4.320 -0.019 0.000 0.210 488 A C 1.250 178.865 177.584 0.053 0.000 1.179 488 A CA 0.625 52.683 52.037 0.035 0.000 0.827 488 A CB -0.601 18.395 19.000 -0.007 0.000 0.856 488 A HN 0.909 nan 8.150 nan 0.000 0.488 489 A N 0.791 123.555 122.820 -0.092 0.000 2.454 489 A HA 0.519 4.828 4.320 -0.019 0.000 0.260 489 A C -1.282 176.008 177.584 -0.491 0.000 1.106 489 A CA -1.087 50.790 52.037 -0.266 0.000 0.780 489 A CB 0.209 19.019 19.000 -0.316 0.000 1.044 489 A HN 0.156 nan 8.150 nan 0.000 0.498 490 P HA -0.122 nan 4.420 nan 0.000 0.218 490 P C 0.297 177.345 177.300 -0.421 0.000 1.149 490 P CA 1.317 63.854 63.100 -0.937 0.000 0.817 490 P CB 0.048 31.328 31.700 -0.699 0.000 0.785 491 Y N -1.572 118.452 120.300 -0.460 0.000 2.470 491 Y HA 0.181 4.720 4.550 -0.018 0.000 0.284 491 Y C 0.922 176.290 175.900 -0.887 0.000 1.188 491 Y CA -1.089 56.639 58.100 -0.619 0.000 1.269 491 Y CB -1.472 36.682 38.460 -0.511 0.000 1.094 491 Y HN -0.043 nan 8.280 nan 0.000 0.518 492 N N 0.942 119.390 118.700 -0.420 0.000 2.739 492 N HA -0.030 4.698 4.740 -0.019 0.000 0.266 492 N C 0.506 175.856 175.510 -0.267 0.000 1.168 492 N CA 0.086 52.971 53.050 -0.274 0.000 1.055 492 N CB -0.502 37.833 38.487 -0.253 0.000 1.393 492 N HN -0.066 nan 8.380 nan 0.000 0.514 493 F N 0.891 120.739 119.950 -0.172 0.000 2.171 493 F HA 0.082 4.597 4.527 -0.020 0.000 0.300 493 F C 2.346 177.977 175.800 -0.281 0.000 1.090 493 F CA 1.104 58.868 58.000 -0.392 0.000 1.293 493 F CB -0.827 37.757 39.000 -0.693 0.000 1.013 493 F HN 0.534 nan 8.300 nan 0.000 0.486 494 G N -2.129 106.844 108.800 0.288 0.000 2.712 494 G HA2 -0.105 3.843 3.960 -0.019 0.000 0.212 494 G HA3 -0.105 3.843 3.960 -0.019 0.000 0.212 494 G C 0.145 175.205 174.900 0.268 0.000 1.142 494 G CA 0.428 45.768 45.100 0.399 0.000 0.789 494 G HN 0.606 nan 8.290 nan 0.000 0.535 495 H N -1.094 118.133 119.070 0.261 0.000 2.839 495 H HA -0.185 4.360 4.556 -0.018 0.000 0.298 495 H C 0.303 175.654 175.328 0.037 0.000 1.224 495 H CA 0.945 57.051 56.048 0.097 0.000 1.144 495 H CB -2.628 27.184 29.762 0.083 0.000 1.372 495 H HN 0.627 nan 8.280 nan 0.000 0.408 496 F N 0.387 120.362 119.950 0.041 0.000 2.459 496 F HA 0.497 5.012 4.527 -0.019 0.000 0.346 496 F C 0.386 176.097 175.800 -0.148 0.000 1.128 496 F CA -0.771 57.121 58.000 -0.180 0.000 1.268 496 F CB 0.788 39.486 39.000 -0.505 0.000 1.161 496 F HN 0.043 nan 8.300 nan 0.000 0.583 497 N N 2.622 121.282 118.700 -0.067 0.000 2.558 497 N HA 0.154 4.882 4.740 -0.019 0.000 0.285 497 N C -2.411 173.125 175.510 0.043 0.000 1.112 497 N CA -0.370 52.645 53.050 -0.058 0.000 0.857 497 N CB 1.052 39.501 38.487 -0.064 0.000 1.376 497 N HN 0.885 nan 8.380 nan 0.000 0.526 498 D N 1.620 122.105 120.400 0.141 0.000 2.505 498 D HA 0.302 4.931 4.640 -0.019 0.000 0.249 498 D C 0.378 176.769 176.300 0.152 0.000 1.082 498 D CA -0.267 53.847 54.000 0.190 0.000 0.839 498 D CB 1.947 42.957 40.800 0.351 0.000 1.317 498 D HN 0.302 nan 8.370 nan 0.000 0.497 499 S N 2.539 118.307 115.700 0.114 0.000 2.368 499 S HA -0.175 4.284 4.470 -0.019 0.000 0.225 499 S C 1.556 176.213 174.600 0.095 0.000 1.030 499 S CA 1.070 59.321 58.200 0.086 0.000 0.999 499 S CB 0.040 63.279 63.200 0.065 0.000 0.844 499 S HN 0.692 nan 8.310 nan 0.000 0.459 500 E N 0.664 120.931 120.200 0.112 0.000 2.077 500 E HA -0.132 4.207 4.350 -0.019 0.000 0.193 500 E C 1.807 178.486 176.600 0.132 0.000 0.989 500 E CA 1.012 57.474 56.400 0.103 0.000 0.800 500 E CB -0.045 29.710 29.700 0.091 0.000 0.746 500 E HN 0.294 nan 8.360 nan 0.000 0.452 501 I N 1.224 121.910 120.570 0.194 0.000 2.286 501 I HA -0.199 3.959 4.170 -0.019 0.000 0.248 501 I C 2.325 178.564 176.117 0.203 0.000 1.115 501 I CA 1.300 62.758 61.300 0.263 0.000 1.392 501 I CB -1.429 36.820 38.000 0.415 0.000 1.065 501 I HN 0.193 nan 8.210 nan 0.000 0.418 502 T N 0.470 115.110 114.554 0.145 0.000 2.746 502 T HA -0.202 4.136 4.350 -0.019 0.000 0.267 502 T C 1.998 176.723 174.700 0.043 0.000 1.039 502 T CA 1.462 63.606 62.100 0.074 0.000 1.142 502 T CB -0.060 68.837 68.868 0.048 0.000 0.866 502 T HN 0.215 nan 8.240 nan 0.000 0.444 503 K N 0.747 121.180 120.400 0.055 0.000 2.057 503 K HA -0.132 4.177 4.320 -0.019 0.000 0.207 503 K C 1.887 178.504 176.600 0.028 0.000 1.049 503 K CA 1.493 57.803 56.287 0.038 0.000 0.931 503 K CB -0.051 32.476 32.500 0.046 0.000 0.714 503 K HN 0.149 nan 8.250 nan 0.000 0.440 504 D N 0.523 120.955 120.400 0.053 0.000 2.117 504 D HA -0.153 4.476 4.640 -0.019 0.000 0.197 504 D C 1.881 178.133 176.300 -0.079 0.000 0.987 504 D CA 1.090 55.111 54.000 0.035 0.000 0.829 504 D CB -0.109 40.785 40.800 0.157 0.000 0.961 504 D HN 0.219 nan 8.370 nan 0.000 0.460 505 L N 0.770 121.932 121.223 -0.102 0.000 2.093 505 L HA -0.141 4.187 4.340 -0.019 0.000 0.208 505 L C 2.028 178.804 176.870 -0.157 0.000 1.085 505 L CA 0.788 55.497 54.840 -0.218 0.000 0.755 505 L CB -0.436 41.520 42.059 -0.171 0.000 0.904 505 L HN -0.028 nan 8.230 nan 0.000 0.435 506 N N -0.005 118.647 118.700 -0.080 0.000 2.166 506 N HA -0.208 4.520 4.740 -0.019 0.000 0.186 506 N C 1.526 177.011 175.510 -0.041 0.000 1.019 506 N CA 1.422 54.439 53.050 -0.054 0.000 0.856 506 N CB -0.367 38.106 38.487 -0.024 0.000 0.993 506 N HN 0.295 nan 8.380 nan 0.000 0.426 507 D N 0.701 121.083 120.400 -0.030 0.000 2.144 507 D HA 0.011 4.640 4.640 -0.019 0.000 0.199 507 D C 1.976 178.290 176.300 0.023 0.000 0.984 507 D CA 0.465 54.481 54.000 0.027 0.000 0.834 507 D CB -0.084 40.740 40.800 0.040 0.000 0.955 507 D HN 0.203 nan 8.370 nan 0.000 0.465 508 I N 0.322 120.819 120.570 -0.121 0.000 2.286 508 I HA -0.200 3.959 4.170 -0.019 0.000 0.248 508 I C 1.008 177.081 176.117 -0.072 0.000 1.115 508 I CA 1.083 62.256 61.300 -0.211 0.000 1.392 508 I CB -0.026 37.601 38.000 -0.622 0.000 1.065 508 I HN -0.044 nan 8.210 nan 0.000 0.418 509 D N 0.243 120.597 120.400 -0.078 0.000 2.340 509 D HA 0.059 4.687 4.640 -0.019 0.000 0.217 509 D C 0.936 177.215 176.300 -0.036 0.000 1.081 509 D CA 0.169 54.140 54.000 -0.048 0.000 0.842 509 D CB 0.130 40.889 40.800 -0.068 0.000 0.934 509 D HN 0.260 nan 8.370 nan 0.000 0.511 510 S N -0.521 115.174 115.700 -0.007 0.000 2.645 510 S HA 0.477 4.936 4.470 -0.019 0.000 0.266 510 S C 1.558 176.135 174.600 -0.039 0.000 1.258 510 S CA -0.160 58.030 58.200 -0.017 0.000 0.990 510 S CB 1.993 65.198 63.200 0.008 0.000 0.967 510 S HN 0.002 nan 8.310 nan 0.000 0.556 511 A N 1.094 123.874 122.820 -0.067 0.000 1.972 511 A HA -0.028 4.280 4.320 -0.019 0.000 0.219 511 A C 2.118 179.619 177.584 -0.139 0.000 1.169 511 A CA 1.524 53.510 52.037 -0.085 0.000 0.635 511 A CB -0.863 18.090 19.000 -0.078 0.000 0.810 511 A HN 0.898 nan 8.150 nan 0.000 0.446 512 K N -0.220 120.038 120.400 -0.237 0.000 2.147 512 K HA -0.024 4.284 4.320 -0.019 0.000 0.205 512 K C 1.974 178.299 176.600 -0.459 0.000 1.049 512 K CA 1.252 57.213 56.287 -0.544 0.000 0.936 512 K CB -0.122 31.756 32.500 -1.036 0.000 0.722 512 K HN 0.351 nan 8.250 nan 0.000 0.446 513 S N 0.695 116.334 115.700 -0.102 0.000 2.555 513 S HA -0.057 4.401 4.470 -0.019 0.000 0.230 513 S C 1.200 175.869 174.600 0.116 0.000 0.978 513 S CA 0.595 58.898 58.200 0.172 0.000 0.934 513 S CB -0.119 63.217 63.200 0.227 0.000 0.766 513 S HN 0.284 nan 8.310 nan 0.000 0.533 514 E N 1.586 121.799 120.200 0.021 0.000 2.160 514 E HA -0.078 4.261 4.350 -0.019 0.000 0.195 514 E C 0.906 177.534 176.600 0.047 0.000 0.991 514 E CA 0.402 56.819 56.400 0.028 0.000 0.810 514 E CB 0.041 29.733 29.700 -0.013 0.000 0.742 514 E HN 0.312 nan 8.360 nan 0.000 0.466 515 N N 0.614 119.334 118.700 0.034 0.000 2.442 515 N HA -0.008 4.721 4.740 -0.019 0.000 0.265 515 N C -2.098 173.491 175.510 0.132 0.000 1.138 515 N CA -1.407 51.684 53.050 0.068 0.000 0.956 515 N CB 1.259 39.777 38.487 0.052 0.000 1.067 515 N HN -0.186 nan 8.380 nan 0.000 0.474 516 P HA -0.046 nan 4.420 nan 0.000 0.217 516 P C 1.055 178.407 177.300 0.086 0.000 1.150 516 P CA 1.310 64.460 63.100 0.083 0.000 0.832 516 P CB 0.251 31.967 31.700 0.027 0.000 0.787 517 T N -1.547 113.060 114.554 0.087 0.000 2.746 517 T HA -0.198 4.141 4.350 -0.019 0.000 0.267 517 T C 1.633 176.407 174.700 0.122 0.000 1.039 517 T CA 1.173 63.321 62.100 0.080 0.000 1.142 517 T CB -1.106 67.801 68.868 0.066 0.000 0.866 517 T HN 0.102 nan 8.240 nan 0.000 0.444 518 Y N 1.789 122.118 120.300 0.049 0.000 2.181 518 Y HA -0.150 4.389 4.550 -0.019 0.000 0.288 518 Y C 2.731 178.688 175.900 0.095 0.000 1.146 518 Y CA 1.592 59.728 58.100 0.059 0.000 1.164 518 Y CB -0.087 38.401 38.460 0.047 0.000 0.982 518 Y HN -0.040 nan 8.280 nan 0.000 0.515 519 R N 0.776 121.482 120.500 0.342 0.000 2.096 519 R HA -0.180 4.149 4.340 -0.019 0.000 0.235 519 R C 2.432 178.949 176.300 0.361 0.000 1.127 519 R CA 1.857 58.169 56.100 0.355 0.000 0.968 519 R CB -0.291 30.248 30.300 0.398 0.000 0.861 519 R HN 0.322 nan 8.270 nan 0.000 0.440 520 K N -0.280 120.249 120.400 0.215 0.000 2.057 520 K HA -0.118 4.191 4.320 -0.019 0.000 0.207 520 K C 1.879 178.577 176.600 0.164 0.000 1.049 520 K CA 1.476 57.864 56.287 0.169 0.000 0.931 520 K CB -0.188 32.325 32.500 0.022 0.000 0.714 520 K HN 0.253 nan 8.250 nan 0.000 0.440 521 A N 1.018 123.874 122.820 0.061 0.000 1.933 521 A HA -0.089 4.220 4.320 -0.019 0.000 0.218 521 A C 2.318 179.892 177.584 -0.016 0.000 1.175 521 A CA 1.802 53.834 52.037 -0.007 0.000 0.628 521 A CB -0.766 18.176 19.000 -0.096 0.000 0.814 521 A HN 0.501 nan 8.150 nan 0.000 0.444 522 A N -1.149 121.639 122.820 -0.053 0.000 1.877 522 A HA -0.017 4.291 4.320 -0.019 0.000 0.216 522 A C 1.966 179.568 177.584 0.029 0.000 1.186 522 A CA 1.511 53.510 52.037 -0.062 0.000 0.620 522 A CB -0.751 18.187 19.000 -0.103 0.000 0.822 522 A HN 0.458 nan 8.150 nan 0.000 0.443 523 F N -0.228 119.790 119.950 0.113 0.000 2.134 523 F HA -0.147 4.369 4.527 -0.019 0.000 0.299 523 F C 2.457 178.373 175.800 0.194 0.000 1.097 523 F CA 1.609 59.721 58.000 0.186 0.000 1.264 523 F CB -0.335 38.811 39.000 0.243 0.000 1.001 523 F HN 0.033 nan 8.300 nan 0.000 0.479 524 V N -0.011 120.078 119.914 0.291 0.000 2.358 524 V HA -0.303 3.806 4.120 -0.019 0.000 0.246 524 V C 2.416 178.573 176.094 0.106 0.000 1.047 524 V CA 1.941 64.344 62.300 0.172 0.000 1.035 524 V CB -0.563 31.326 31.823 0.110 0.000 0.658 524 V HN 0.256 nan 8.190 nan 0.000 0.452 525 K N -0.608 119.842 120.400 0.083 0.000 2.057 525 K HA -0.247 4.062 4.320 -0.019 0.000 0.207 525 K C 2.289 178.926 176.600 0.061 0.000 1.049 525 K CA 2.045 58.359 56.287 0.045 0.000 0.931 525 K CB -0.348 32.162 32.500 0.018 0.000 0.714 525 K HN 0.579 nan 8.250 nan 0.000 0.440 526 Y N 1.532 121.820 120.300 -0.020 0.000 2.181 526 Y HA -0.219 4.320 4.550 -0.019 0.000 0.288 526 Y C 2.014 177.909 175.900 -0.007 0.000 1.146 526 Y CA 1.754 59.839 58.100 -0.025 0.000 1.164 526 Y CB -0.218 38.198 38.460 -0.072 0.000 0.982 526 Y HN 0.168 nan 8.280 nan 0.000 0.515 527 Q N 0.282 119.960 119.800 -0.203 0.000 2.124 527 Q HA -0.185 4.144 4.340 -0.019 0.000 0.202 527 Q C 2.135 178.007 176.000 -0.215 0.000 0.977 527 Q CA 1.976 57.614 55.803 -0.275 0.000 0.850 527 Q CB -0.104 28.626 28.738 -0.014 0.000 0.901 527 Q HN 0.655 nan 8.270 nan 0.000 0.429 528 E N 0.633 120.762 120.200 -0.118 0.000 2.072 528 E HA -0.110 4.229 4.350 -0.019 0.000 0.191 528 E C 0.237 176.762 176.600 -0.125 0.000 0.985 528 E CA 0.490 56.831 56.400 -0.099 0.000 0.801 528 E CB 0.057 29.727 29.700 -0.050 0.000 0.750 528 E HN 0.352 nan 8.360 nan 0.000 0.452 532 K N 1.906 122.243 120.400 -0.106 0.000 2.026 532 K HA 0.017 4.326 4.320 -0.019 0.000 0.208 532 K C 1.379 177.897 176.600 -0.138 0.000 1.048 532 K CA 1.402 57.641 56.287 -0.081 0.000 0.929 532 K CB 0.113 32.568 32.500 -0.075 0.000 0.713 532 K HN 0.049 nan 8.250 nan 0.000 0.439 533 K N -0.091 120.148 120.400 -0.268 0.000 2.097 533 K HA -0.024 4.285 4.320 -0.019 0.000 0.206 533 K C 0.847 177.096 176.600 -0.585 0.000 1.049 533 K CA 0.963 56.939 56.287 -0.518 0.000 0.933 533 K CB -0.165 31.855 32.500 -0.799 0.000 0.717 533 K HN 0.383 nan 8.250 nan 0.000 0.442 534 A N 0.183 122.748 122.820 -0.426 0.000 2.791 534 A HA -0.220 4.088 4.320 -0.019 0.000 0.292 534 A C 0.484 177.929 177.584 -0.231 0.000 1.487 534 A CA 0.953 52.818 52.037 -0.288 0.000 0.760 534 A CB -2.487 16.410 19.000 -0.173 0.000 1.031 534 A HN 0.417 nan 8.150 nan 0.000 0.503 535 Y N -0.998 119.171 120.300 -0.219 0.000 2.274 535 Y HA 0.160 4.699 4.550 -0.019 0.000 0.290 535 Y C 1.555 177.371 175.900 -0.140 0.000 1.145 535 Y CA 1.682 59.669 58.100 -0.188 0.000 1.203 535 Y CB -0.342 37.738 38.460 -0.633 0.000 0.984 535 Y HN 0.992 nan 8.280 nan 0.000 0.533 536 V N -2.166 117.625 119.914 -0.205 0.000 2.962 536 V HA 0.592 4.701 4.120 -0.019 0.000 0.313 536 V C -0.802 175.066 176.094 -0.378 0.000 1.099 536 V CA -1.467 60.624 62.300 -0.347 0.000 0.971 536 V CB 2.858 34.443 31.823 -0.397 0.000 1.028 536 V HN -0.093 nan 8.190 nan 0.000 0.430 537 I N 2.464 122.783 120.570 -0.418 0.000 2.436 537 I HA 0.525 4.683 4.170 -0.019 0.000 0.289 537 I C -2.698 173.267 176.117 -0.253 0.000 1.010 537 I CA -2.107 58.982 61.300 -0.352 0.000 1.098 537 I CB 1.776 39.477 38.000 -0.498 0.000 1.266 537 I HN 0.481 nan 8.210 nan 0.000 0.434 538 P HA 0.207 nan 4.420 nan 0.000 0.267 538 P C 0.272 177.487 177.300 -0.142 0.000 1.205 538 P CA 0.235 63.255 63.100 -0.133 0.000 0.765 538 P CB 1.041 32.680 31.700 -0.102 0.000 0.828 539 T N 0.857 115.330 114.554 -0.136 0.000 3.348 539 T HA 0.153 4.492 4.350 -0.019 0.000 0.233 539 T C 0.385 175.010 174.700 -0.125 0.000 0.960 539 T CA 0.533 62.569 62.100 -0.107 0.000 1.343 539 T CB -0.028 68.810 68.868 -0.049 0.000 1.068 539 T HN 0.335 nan 8.240 nan 0.000 0.410 540 N N 0.391 119.045 118.700 -0.076 0.000 2.240 540 N HA 0.560 5.288 4.740 -0.019 0.000 0.302 540 N C -1.391 174.150 175.510 0.052 0.000 1.106 540 N CA -0.519 52.503 53.050 -0.045 0.000 0.778 540 N CB 1.632 40.189 38.487 0.117 0.000 1.431 540 N HN 0.022 nan 8.380 nan 0.000 0.479 544 N N 1.471 120.060 118.700 -0.185 0.000 2.362 544 N HA 0.551 5.280 4.740 -0.019 0.000 0.298 544 N C -1.482 173.921 175.510 -0.178 0.000 1.048 544 N CA -0.334 52.620 53.050 -0.160 0.000 0.858 544 N CB 1.962 40.371 38.487 -0.129 0.000 1.218 544 N HN 0.467 nan 8.380 nan 0.000 0.488 545 Y N -1.383 118.767 120.300 -0.251 0.000 2.468 545 Y HA 0.716 5.263 4.550 -0.005 0.000 0.342 545 Y C -0.652 175.211 175.900 -0.060 0.000 1.021 545 Y CA -0.773 57.217 58.100 -0.183 0.000 1.079 545 Y CB 1.407 39.779 38.460 -0.148 0.000 1.226 545 Y HN 0.170 nan 8.280 nan 0.000 0.460 546 T N 5.619 120.175 114.554 0.003 0.000 2.881 546 T HA 0.385 4.724 4.350 -0.019 0.000 0.291 546 T C -3.028 171.734 174.700 0.103 0.000 0.990 546 T CA -1.581 60.497 62.100 -0.037 0.000 0.976 546 T CB 1.597 70.439 68.868 -0.043 0.000 0.970 546 T HN 0.454 nan 8.240 nan 0.000 0.438 547 P HA 0.382 nan 4.420 nan 0.000 0.281 547 P C -0.971 176.449 177.300 0.200 0.000 1.252 547 P CA -0.394 62.794 63.100 0.145 0.000 0.778 547 P CB 0.862 32.565 31.700 0.005 0.000 0.895 548 V N 3.865 123.914 119.914 0.225 0.000 2.487 548 V HA 0.273 4.381 4.120 -0.019 0.000 0.298 548 V C 0.681 176.808 176.094 0.056 0.000 1.028 548 V CA -0.918 61.474 62.300 0.155 0.000 0.860 548 V CB 1.583 33.450 31.823 0.074 0.000 0.991 548 V HN 0.581 nan 8.190 nan 0.000 0.427 549 N N 3.395 122.064 118.700 -0.052 0.000 2.492 549 N HA 0.079 4.808 4.740 -0.019 0.000 0.260 549 N C 0.979 176.367 175.510 -0.204 0.000 1.215 549 N CA -0.126 52.664 53.050 -0.433 0.000 0.923 549 N CB 0.912 39.186 38.487 -0.354 0.000 1.092 549 N HN 0.612 nan 8.380 nan 0.000 0.448 550 K N 2.187 122.436 120.400 -0.252 0.000 2.360 550 K HA -0.159 4.150 4.320 -0.019 0.000 0.201 550 K C 1.832 178.525 176.600 0.155 0.000 1.046 550 K CA 0.851 57.113 56.287 -0.042 0.000 0.945 550 K CB 0.042 32.492 32.500 -0.082 0.000 0.750 550 K HN 0.623 nan 8.250 nan 0.000 0.464 551 R N 0.771 121.292 120.500 0.035 0.000 2.189 551 R HA -0.024 4.304 4.340 -0.019 0.000 0.223 551 R C 0.389 176.732 176.300 0.072 0.000 1.092 551 R CA 0.471 56.596 56.100 0.041 0.000 0.989 551 R CB -0.392 29.904 30.300 -0.005 0.000 0.876 551 R HN -0.174 nan 8.270 nan 0.000 0.457 552 V N 2.450 122.441 119.914 0.128 0.000 2.655 552 V HA 0.087 4.195 4.120 -0.019 0.000 0.300 552 V C 0.135 176.248 176.094 0.030 0.000 1.044 552 V CA -0.151 62.211 62.300 0.104 0.000 1.095 552 V CB 1.416 33.318 31.823 0.130 0.000 0.952 552 V HN 0.051 nan 8.190 nan 0.000 0.485 553 V N 4.376 124.270 119.914 -0.032 0.000 2.495 553 V HA 0.921 5.029 4.120 -0.019 0.000 0.298 553 V C 0.598 176.640 176.094 -0.086 0.000 1.031 553 V CA 0.399 62.635 62.300 -0.107 0.000 0.871 553 V CB 0.696 32.472 31.823 -0.079 0.000 0.988 553 V HN 1.410 nan 8.190 nan 0.000 0.432 557 L N 1.875 123.009 121.223 -0.148 0.000 2.653 557 L HA 0.335 4.664 4.340 -0.019 0.000 0.231 557 L C 0.627 177.307 176.870 -0.316 0.000 1.153 557 L CA -0.307 54.395 54.840 -0.231 0.000 0.933 557 L CB 0.044 41.971 42.059 -0.220 0.000 1.175 557 L HN 0.618 nan 8.230 nan 0.000 0.473 558 D N -0.441 119.831 120.400 -0.214 0.000 2.487 558 D HA -0.138 4.490 4.640 -0.019 0.000 0.243 558 D C 0.892 177.085 176.300 -0.177 0.000 1.154 558 D CA 0.392 54.282 54.000 -0.182 0.000 0.876 558 D CB 0.664 41.400 40.800 -0.107 0.000 1.161 558 D HN 0.033 nan 8.370 nan 0.000 0.478 559 Y N 2.332 122.567 120.300 -0.107 0.000 2.352 559 Y HA 0.036 4.574 4.550 -0.020 0.000 0.292 559 Y C 2.480 178.293 175.900 -0.144 0.000 1.136 559 Y CA 1.298 59.330 58.100 -0.114 0.000 1.227 559 Y CB -0.228 38.101 38.460 -0.218 0.000 0.991 559 Y HN 0.620 nan 8.280 nan 0.000 0.545 560 G N -0.499 108.291 108.800 -0.017 0.000 2.509 560 G HA2 0.084 4.033 3.960 -0.019 0.000 0.218 560 G HA3 0.084 4.033 3.960 -0.019 0.000 0.218 560 G C 0.938 175.797 174.900 -0.070 0.000 1.124 560 G CA 0.536 45.603 45.100 -0.055 0.000 0.776 560 G HN 0.417 nan 8.290 nan 0.000 0.547 564 T N -0.934 113.516 114.554 -0.173 0.000 2.788 564 T HA -0.144 4.195 4.350 -0.019 0.000 0.268 564 T C 1.343 175.908 174.700 -0.224 0.000 1.044 564 T CA 1.329 63.268 62.100 -0.269 0.000 1.139 564 T CB -0.142 68.459 68.868 -0.445 0.000 0.867 564 T HN 0.394 nan 8.240 nan 0.000 0.454 565 W N 1.541 122.844 121.300 0.004 0.000 2.358 565 W HA -0.102 4.547 4.660 -0.018 0.000 0.303 565 W C 2.926 179.519 176.519 0.123 0.000 1.208 565 W CA 0.531 57.907 57.345 0.052 0.000 1.274 565 W CB -0.437 29.061 29.460 0.063 0.000 1.138 565 W HN 0.139 nan 8.180 nan 0.000 0.515 566 S N -0.010 115.830 115.700 0.234 0.000 2.383 566 S HA -0.188 4.270 4.470 -0.019 0.000 0.227 566 S C 1.465 176.112 174.600 0.078 0.000 1.026 566 S CA 1.486 59.748 58.200 0.103 0.000 0.981 566 S CB -0.343 62.874 63.200 0.028 0.000 0.818 566 S HN 0.156 nan 8.310 nan 0.000 0.472 567 E N 0.922 121.148 120.200 0.044 0.000 2.150 567 E HA 0.114 4.453 4.350 -0.019 0.000 0.193 567 E C 0.621 177.227 176.600 0.011 0.000 0.985 567 E CA 0.131 56.536 56.400 0.008 0.000 0.814 567 E CB -0.105 29.578 29.700 -0.029 0.000 0.752 567 E HN 0.469 nan 8.360 nan 0.000 0.466 568 I N 0.174 120.762 120.570 0.029 0.000 2.648 568 I HA 0.248 4.407 4.170 -0.019 0.000 0.284 568 I C 0.512 176.663 176.117 0.057 0.000 1.153 568 I CA 0.294 61.609 61.300 0.024 0.000 1.426 568 I CB 0.485 38.493 38.000 0.014 0.000 1.381 568 I HN 0.069 nan 8.210 nan 0.000 0.571 569 G N 5.710 114.526 108.800 0.027 0.000 2.727 569 G HA2 0.634 4.583 3.960 -0.019 0.000 0.289 569 G HA3 0.634 4.583 3.960 -0.019 0.000 0.289 569 G C -1.416 173.495 174.900 0.019 0.000 1.418 569 G CA -0.376 44.741 45.100 0.028 0.000 0.818 569 G HN 0.702 nan 8.290 nan 0.000 0.486 570 V N -1.785 118.140 119.914 0.018 0.000 2.789 570 V HA 0.701 4.810 4.120 -0.019 0.000 0.311 570 V C 1.094 177.190 176.094 0.003 0.000 1.073 570 V CA 0.312 62.620 62.300 0.014 0.000 0.921 570 V CB 1.322 33.158 31.823 0.021 0.000 1.009 570 V HN 1.324 nan 8.190 nan 0.000 0.426 571 S N 2.333 118.032 115.700 -0.001 0.000 2.423 571 S HA 0.078 4.537 4.470 -0.019 0.000 0.231 571 S C 0.905 175.504 174.600 -0.001 0.000 1.014 571 S CA 0.807 59.003 58.200 -0.006 0.000 0.965 571 S CB -0.438 62.757 63.200 -0.008 0.000 0.785 571 S HN 2.174 nan 8.310 nan 0.000 0.495 572 S N -1.375 114.326 115.700 0.002 0.000 2.615 572 S HA 0.754 5.213 4.470 -0.019 0.000 0.269 572 S C 0.534 175.136 174.600 0.002 0.000 1.161 572 S CA -0.350 57.850 58.200 0.001 0.000 0.817 572 S CB 0.818 64.017 63.200 -0.003 0.000 1.131 572 S HN 0.540 nan 8.310 nan 0.000 0.467 573 A N 0.627 123.448 122.820 0.002 0.000 2.015 573 A HA 0.235 4.544 4.320 -0.019 0.000 0.219 573 A C 1.004 178.587 177.584 -0.003 0.000 1.163 573 A CA 1.481 53.520 52.037 0.003 0.000 0.646 573 A CB -0.623 18.379 19.000 0.004 0.000 0.806 573 A HN 0.751 nan 8.150 nan 0.000 0.448 574 K N 0.271 120.666 120.400 -0.007 0.000 2.211 574 K HA 0.509 4.818 4.320 -0.019 0.000 0.275 574 K C -0.908 175.678 176.600 -0.023 0.000 1.024 574 K CA -0.541 55.738 56.287 -0.014 0.000 0.887 574 K CB 0.358 32.850 32.500 -0.012 0.000 1.084 574 K HN 0.101 nan 8.250 nan 0.000 0.463 575 L N 3.689 124.893 121.223 -0.032 0.000 2.453 575 L HA 0.259 4.588 4.340 -0.019 0.000 0.272 575 L C 0.582 177.408 176.870 -0.074 0.000 1.182 575 L CA 0.587 55.392 54.840 -0.058 0.000 0.858 575 L CB 0.692 42.718 42.059 -0.055 0.000 1.120 575 L HN 0.858 nan 8.230 nan 0.000 0.474 576 A N 0.000 122.751 122.820 -0.115 0.000 2.254 576 A HA 0.000 4.309 4.320 -0.019 0.000 0.244 576 A CA 0.000 51.966 52.037 -0.118 0.000 0.836 576 A CB 0.000 18.926 19.000 -0.123 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486