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 1f13_1_A DATA FIRST_RESID 5 DATA SEQUENCE RTAFGGRRAV PPNNSNAAED DLPTVELQGV VPXXVNLQEF LNVTSVHLFK DATA SEQUENCE ERWDTNKVDH HTDKYENNKL IVRRGQSFYV QIDFSRPYDP RRDLFRVEYV DATA SEQUENCE IGRYPQENKG TYIPVPIVSE LQSGKWGAKI VMREDRSVRL SIQSSPKCIV DATA SEQUENCE GKFRMYVAVW TPYGVLRTSR NPETDTYILF NPWCEDDAVY LDNEKEREEY DATA SEQUENCE VLNDIGVIFY GEVNDIKTRS WSYGQFEDGI LDTCLYVMDR AQMDLSGRGN DATA SEQUENCE PIKVSRVGSA MVNAKDDEGV LVGSWDNIYA YGVPPSAWTG SVDILLEYRS DATA SEQUENCE SENPVRYGQC WVFAGVFNTF LRCLGIPARI VTNYFSAHDN DANLQMDIFL DATA SEQUENCE EEDGNVNSKL TKDSVWNYHC WNEAWMTRPD LPVGFGGWQA VDSTPQENSD DATA SEQUENCE GMYRCGPASV QAIKHGHVCF QFDAPFVFAE VNSDLIYITA KKDGTHVVEN DATA SEQUENCE VDATHIGKLI VTKQIGGDGM MDITDTYKFQ EGQEEERLAL ETALMYGAKK DATA SEQUENCE PLNTEGVMKS RSNVDMDFEV ENAVLGKDFK LSITFRNNSH NRYTITAYLS DATA SEQUENCE ANITFYTGVP KAEFKKETFD VTLEPLSFKK EAVLIQAGEY MGQLLEQASL DATA SEQUENCE HFFVTARINE TRDVLAKQKS TVLTIPEIII KVRGTQVVGS DMTVTVEFTN DATA SEQUENCE PLKETLRNVW VHLDGPGVTR PMKKMFREIR PNSTVQWEEV CRPWVSGHRK DATA SEQUENCE LIASMSSDSL RHVYGELDVQ IQRR 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.310 176.300 0.017 0.000 0.893 5 R CA 0.000 56.107 56.100 0.012 0.000 0.921 5 R CB 0.000 30.303 30.300 0.005 0.000 0.687 6 T N -0.216 114.351 114.554 0.023 0.000 4.128 6 T HA 0.498 4.848 4.350 0.000 0.000 0.196 6 T C 1.195 175.928 174.700 0.056 0.000 0.785 6 T CA 2.457 64.578 62.100 0.035 0.000 2.485 6 T CB 0.346 69.232 68.868 0.030 0.000 1.654 6 T HN 0.575 nan 8.240 nan 0.000 0.306 7 A N -1.321 121.555 122.820 0.093 0.000 3.137 7 A HA 0.235 4.555 4.320 0.000 0.000 0.192 7 A C 0.355 178.019 177.584 0.134 0.000 1.546 7 A CA 0.230 52.321 52.037 0.090 0.000 1.366 7 A CB -1.164 17.878 19.000 0.069 0.000 1.113 7 A HN 0.743 nan 8.150 nan 0.000 0.391 8 F N 1.294 121.238 119.950 -0.009 0.000 1.907 8 F HA 0.147 4.674 4.527 0.000 0.000 0.334 8 F C 0.908 176.698 175.800 -0.016 0.000 0.631 8 F CA 1.448 59.440 58.000 -0.012 0.000 0.867 8 F CB 0.375 39.368 39.000 -0.011 0.000 0.792 8 F HN 0.713 nan 8.300 nan 0.000 0.584 9 G N 4.609 112.924 108.800 -0.808 0.000 2.655 9 G HA2 0.485 4.445 3.960 0.000 0.000 0.334 9 G HA3 0.485 4.445 3.960 0.000 0.000 0.334 9 G C 0.679 174.977 174.900 -1.003 0.000 1.099 9 G CA -0.122 44.588 45.100 -0.650 0.000 1.075 9 G HN 1.236 nan 8.290 nan 0.000 0.463 10 G N 1.761 110.161 108.800 -0.666 0.000 2.880 10 G HA2 -0.040 3.920 3.960 0.000 0.000 0.209 10 G HA3 -0.040 3.920 3.960 0.000 0.000 0.209 10 G C 1.620 176.418 174.900 -0.171 0.000 1.157 10 G CA 0.023 44.899 45.100 -0.373 0.000 0.779 10 G HN 0.549 nan 8.290 nan 0.000 0.539 11 R N 1.172 121.567 120.500 -0.175 0.000 2.090 11 R HA 0.093 4.433 4.340 0.000 0.000 0.228 11 R C 1.082 177.317 176.300 -0.108 0.000 1.110 11 R CA 0.753 56.788 56.100 -0.108 0.000 0.973 11 R CB -0.055 30.187 30.300 -0.097 0.000 0.869 11 R HN 0.455 nan 8.270 nan 0.000 0.440 12 R N -3.090 117.317 120.500 -0.155 0.000 2.663 12 R HA 0.533 4.873 4.340 0.000 0.000 0.267 12 R C -0.070 176.128 176.300 -0.171 0.000 1.038 12 R CA -0.099 55.922 56.100 -0.132 0.000 0.886 12 R CB 0.889 31.118 30.300 -0.119 0.000 1.249 12 R HN -0.074 nan 8.270 nan 0.000 0.463 13 A N 1.601 124.347 122.820 -0.124 0.000 1.969 13 A HA 0.142 4.462 4.320 0.000 0.000 0.218 13 A C 0.571 178.068 177.584 -0.145 0.000 1.169 13 A CA 1.189 53.157 52.037 -0.114 0.000 0.635 13 A CB 0.125 19.092 19.000 -0.055 0.000 0.810 13 A HN 0.308 nan 8.150 nan 0.000 0.445 14 V N 0.186 120.000 119.914 -0.167 0.000 2.656 14 V HA 0.369 4.489 4.120 0.000 0.000 0.307 14 V C -2.707 173.171 176.094 -0.359 0.000 1.051 14 V CA -2.018 60.127 62.300 -0.260 0.000 0.893 14 V CB 1.671 33.392 31.823 -0.170 0.000 0.999 14 V HN 0.080 nan 8.190 nan 0.000 0.426 15 P HA 0.199 nan 4.420 nan 0.000 0.270 15 P C -2.576 174.499 177.300 -0.376 0.000 1.223 15 P CA -0.985 61.808 63.100 -0.511 0.000 0.785 15 P CB -0.145 31.132 31.700 -0.705 0.000 0.923 16 P HA 0.008 nan 4.420 nan 0.000 0.268 16 P C -0.506 176.821 177.300 0.045 0.000 1.205 16 P CA 0.169 63.235 63.100 -0.057 0.000 0.771 16 P CB 0.288 31.968 31.700 -0.033 0.000 0.858 17 N N 3.143 121.896 118.700 0.088 0.000 2.719 17 N HA 0.047 4.787 4.740 0.000 0.000 0.243 17 N C 0.075 175.632 175.510 0.079 0.000 1.104 17 N CA -0.303 52.839 53.050 0.152 0.000 0.981 17 N CB -0.780 37.793 38.487 0.144 0.000 1.290 17 N HN 0.304 nan 8.380 nan 0.000 0.513 18 N N 0.119 118.862 118.700 0.071 0.000 2.299 18 N HA 0.118 4.858 4.740 0.000 0.000 0.246 18 N C -0.982 174.544 175.510 0.027 0.000 1.254 18 N CA -0.484 52.590 53.050 0.039 0.000 0.879 18 N CB 0.353 38.857 38.487 0.029 0.000 1.214 18 N HN 0.091 nan 8.380 nan 0.000 0.510 19 S N -0.450 115.264 115.700 0.023 0.000 2.571 19 S HA 0.374 4.844 4.470 0.000 0.000 0.284 19 S C -0.002 174.591 174.600 -0.012 0.000 1.128 19 S CA -0.745 57.462 58.200 0.010 0.000 0.970 19 S CB 1.126 64.335 63.200 0.015 0.000 1.039 19 S HN 0.319 nan 8.310 nan 0.000 0.485 20 N N 3.262 121.954 118.700 -0.013 0.000 2.395 20 N HA 0.072 4.812 4.740 0.000 0.000 0.175 20 N C 1.727 177.213 175.510 -0.041 0.000 1.029 20 N CA 0.824 53.842 53.050 -0.052 0.000 0.897 20 N CB -0.149 38.311 38.487 -0.045 0.000 0.991 20 N HN 0.665 nan 8.380 nan 0.000 0.441 21 A N 0.720 123.541 122.820 0.001 0.000 1.969 21 A HA 0.220 4.540 4.320 0.000 0.000 0.218 21 A C 1.082 178.657 177.584 -0.015 0.000 1.169 21 A CA 0.850 52.892 52.037 0.009 0.000 0.635 21 A CB -0.520 18.512 19.000 0.053 0.000 0.810 21 A HN 0.395 nan 8.150 nan 0.000 0.445 22 A N 0.422 123.227 122.820 -0.025 0.000 2.371 22 A HA 0.527 4.847 4.320 0.000 0.000 0.257 22 A C 0.062 177.601 177.584 -0.075 0.000 1.089 22 A CA 0.044 52.052 52.037 -0.049 0.000 0.794 22 A CB 0.066 19.034 19.000 -0.054 0.000 1.029 22 A HN 0.638 nan 8.150 nan 0.000 0.488 23 E N 1.205 121.352 120.200 -0.088 0.000 2.390 23 E HA 0.482 4.833 4.350 0.000 0.000 0.277 23 E C -1.656 174.876 176.600 -0.112 0.000 0.939 23 E CA -0.966 55.384 56.400 -0.084 0.000 0.769 23 E CB 1.485 31.164 29.700 -0.035 0.000 1.251 23 E HN 0.637 nan 8.360 nan 0.000 0.450 24 D N 1.031 121.362 120.400 -0.114 0.000 2.478 24 D HA 0.259 4.899 4.640 0.000 0.000 0.263 24 D C -0.695 175.560 176.300 -0.075 0.000 1.153 24 D CA -0.451 53.470 54.000 -0.131 0.000 1.038 24 D CB 0.845 41.545 40.800 -0.167 0.000 1.120 24 D HN 0.303 nan 8.370 nan 0.000 0.564 25 D N 0.484 120.832 120.400 -0.086 0.000 2.414 25 D HA 0.249 4.889 4.640 0.000 0.000 0.232 25 D C -0.348 175.879 176.300 -0.120 0.000 1.070 25 D CA -0.416 53.542 54.000 -0.071 0.000 0.839 25 D CB 1.242 42.008 40.800 -0.056 0.000 1.079 25 D HN 0.207 nan 8.370 nan 0.000 0.521 26 L N 3.641 124.754 121.223 -0.182 0.000 2.326 26 L HA 0.351 4.691 4.340 0.000 0.000 0.278 26 L C -1.932 174.822 176.870 -0.193 0.000 1.092 26 L CA -1.456 53.216 54.840 -0.279 0.000 0.810 26 L CB 0.677 42.377 42.059 -0.599 0.000 1.153 26 L HN 0.021 nan 8.230 nan 0.000 0.439 27 P HA 0.114 nan 4.420 nan 0.000 0.271 27 P C 0.797 178.029 177.300 -0.113 0.000 1.216 27 P CA -0.214 62.815 63.100 -0.118 0.000 0.776 27 P CB 0.617 32.246 31.700 -0.119 0.000 0.881 28 T N -1.538 112.975 114.554 -0.068 0.000 3.067 28 T HA 0.117 4.468 4.350 0.000 0.000 0.261 28 T C 0.546 175.210 174.700 -0.060 0.000 1.110 28 T CA 0.376 62.449 62.100 -0.045 0.000 1.113 28 T CB -0.082 68.778 68.868 -0.013 0.000 0.917 28 T HN 0.162 nan 8.240 nan 0.000 0.499 29 V N 0.847 120.718 119.914 -0.071 0.000 2.733 29 V HA 0.596 4.716 4.120 0.000 0.000 0.306 29 V C -1.113 174.923 176.094 -0.097 0.000 1.084 29 V CA -0.982 61.271 62.300 -0.078 0.000 0.905 29 V CB 2.157 33.954 31.823 -0.044 0.000 1.010 29 V HN 0.416 nan 8.190 nan 0.000 0.424 30 E N 3.992 124.116 120.200 -0.126 0.000 2.528 30 E HA 0.493 4.843 4.350 0.000 0.000 0.277 30 E C -1.985 174.542 176.600 -0.123 0.000 0.980 30 E CA -0.524 55.799 56.400 -0.128 0.000 0.796 30 E CB 1.088 30.688 29.700 -0.168 0.000 1.427 30 E HN 0.420 nan 8.360 nan 0.000 0.394 31 L N 2.242 123.422 121.223 -0.072 0.000 2.334 31 L HA 0.556 4.896 4.340 0.000 0.000 0.272 31 L C -0.186 176.670 176.870 -0.024 0.000 1.020 31 L CA -0.567 54.251 54.840 -0.037 0.000 0.812 31 L CB 1.513 43.569 42.059 -0.004 0.000 1.264 31 L HN 0.567 nan 8.230 nan 0.000 0.439 32 Q N 0.757 120.558 119.800 0.003 0.000 2.289 32 Q HA 0.593 4.933 4.340 0.000 0.000 0.270 32 Q C -0.367 175.654 176.000 0.034 0.000 1.038 32 Q CA 0.031 55.838 55.803 0.007 0.000 0.812 32 Q CB 2.654 31.392 28.738 0.000 0.000 1.300 32 Q HN 0.855 nan 8.270 nan 0.000 0.427 33 G N 0.514 109.326 108.800 0.021 0.000 2.710 33 G HA2 -0.165 3.796 3.960 0.000 0.000 0.668 33 G HA3 -0.165 3.796 3.960 0.000 0.000 0.668 33 G C -0.477 174.430 174.900 0.011 0.000 1.320 33 G CA -0.503 44.613 45.100 0.027 0.000 0.860 33 G HN 0.907 nan 8.290 nan 0.000 0.538 34 V N -0.973 118.945 119.914 0.006 0.000 2.924 34 V HA 0.618 4.739 4.120 0.000 0.000 0.305 34 V C 1.597 177.645 176.094 -0.076 0.000 1.073 34 V CA 0.363 62.647 62.300 -0.027 0.000 1.098 34 V CB 0.922 32.735 31.823 -0.016 0.000 1.000 34 V HN 1.402 nan 8.190 nan 0.000 0.484 35 V N 1.798 121.615 119.914 -0.162 0.000 2.943 35 V HA 0.214 4.334 4.120 0.000 0.000 0.211 35 V C -0.718 175.169 176.094 -0.346 0.000 1.187 35 V CA 0.498 62.568 62.300 -0.383 0.000 1.278 35 V CB -1.724 29.858 31.823 -0.400 0.000 1.008 35 V HN 0.986 nan 8.190 nan 0.000 0.509 40 N N 0.538 119.246 118.700 0.013 0.000 2.422 40 N HA 0.443 5.183 4.740 0.000 0.000 0.264 40 N C 0.134 175.669 175.510 0.041 0.000 1.063 40 N CA -0.670 52.384 53.050 0.007 0.000 0.959 40 N CB 1.415 39.882 38.487 -0.034 0.000 1.087 40 N HN 0.522 nan 8.380 nan 0.000 0.483 41 L N 1.685 122.984 121.223 0.127 0.000 2.395 41 L HA 0.029 4.369 4.340 0.000 0.000 0.218 41 L C 2.237 179.234 176.870 0.211 0.000 1.130 41 L CA 1.309 56.322 54.840 0.288 0.000 0.826 41 L CB -0.796 41.396 42.059 0.222 0.000 0.941 41 L HN 0.720 nan 8.230 nan 0.000 0.451 42 Q N -0.343 119.500 119.800 0.071 0.000 2.436 42 Q HA -0.171 4.170 4.340 0.000 0.000 0.209 42 Q C 2.002 177.982 176.000 -0.033 0.000 0.965 42 Q CA 0.836 56.660 55.803 0.036 0.000 0.910 42 Q CB -0.113 28.633 28.738 0.014 0.000 0.980 42 Q HN 0.517 nan 8.270 nan 0.000 0.491 43 E N -1.050 119.052 120.200 -0.163 0.000 2.268 43 E HA -0.102 4.248 4.350 0.000 0.000 0.195 43 E C -0.462 175.914 176.600 -0.373 0.000 0.995 43 E CA 0.173 56.375 56.400 -0.330 0.000 0.836 43 E CB 0.137 29.516 29.700 -0.534 0.000 0.763 43 E HN 0.196 nan 8.360 nan 0.000 0.491 44 F N 0.541 120.499 119.950 0.015 0.000 2.380 44 F HA 0.291 4.818 4.527 0.000 0.000 0.319 44 F C 0.873 176.661 175.800 -0.020 0.000 1.113 44 F CA -0.830 57.170 58.000 -0.001 0.000 1.056 44 F CB 0.361 39.371 39.000 0.017 0.000 1.289 44 F HN -0.187 nan 8.300 nan 0.000 0.515 45 L N 1.380 122.699 121.223 0.160 0.000 2.499 45 L HA 0.019 4.359 4.340 0.000 0.000 0.281 45 L C -0.438 176.484 176.870 0.087 0.000 1.234 45 L CA 0.459 55.293 54.840 -0.011 0.000 0.839 45 L CB 0.165 42.037 42.059 -0.312 0.000 1.104 45 L HN 0.639 nan 8.230 nan 0.000 0.500 46 N N 0.191 118.973 118.700 0.135 0.000 2.287 46 N HA 0.366 5.106 4.740 0.000 0.000 0.289 46 N C -1.340 174.331 175.510 0.269 0.000 1.066 46 N CA -0.459 52.693 53.050 0.170 0.000 0.841 46 N CB 2.373 40.929 38.487 0.115 0.000 1.599 46 N HN 0.106 nan 8.380 nan 0.000 0.476 47 V N 1.893 121.915 119.914 0.179 0.000 2.406 47 V HA 0.192 4.312 4.120 0.000 0.000 0.272 47 V C 1.392 177.479 176.094 -0.012 0.000 1.043 47 V CA -0.077 62.254 62.300 0.051 0.000 0.915 47 V CB 0.871 32.674 31.823 -0.035 0.000 0.988 47 V HN 0.993 nan 8.190 nan 0.000 0.466 48 T N 0.519 115.046 114.554 -0.046 0.000 3.031 48 T HA 0.146 4.496 4.350 0.000 0.000 0.254 48 T C 0.658 175.302 174.700 -0.094 0.000 1.060 48 T CA 0.598 62.675 62.100 -0.040 0.000 1.135 48 T CB 0.234 69.100 68.868 -0.005 0.000 0.896 48 T HN 0.834 nan 8.240 nan 0.000 0.472 49 S N -0.660 114.937 115.700 -0.172 0.000 2.587 49 S HA 0.631 5.101 4.470 0.000 0.000 0.269 49 S C -1.723 172.616 174.600 -0.436 0.000 1.154 49 S CA -0.914 57.120 58.200 -0.276 0.000 0.824 49 S CB 1.807 64.857 63.200 -0.250 0.000 1.118 49 S HN 0.236 nan 8.310 nan 0.000 0.462 50 V N 2.783 122.362 119.914 -0.558 0.000 2.588 50 V HA 0.593 4.713 4.120 0.000 0.000 0.304 50 V C -1.119 174.532 176.094 -0.738 0.000 1.042 50 V CA -0.508 61.477 62.300 -0.525 0.000 0.877 50 V CB 1.686 33.325 31.823 -0.307 0.000 0.996 50 V HN 0.980 nan 8.190 nan 0.000 0.425 51 H N 5.462 124.360 119.070 -0.286 0.000 2.547 51 H HA 0.467 5.023 4.556 0.000 0.000 0.342 51 H C 0.104 175.117 175.328 -0.525 0.000 1.048 51 H CA -0.529 55.247 56.048 -0.454 0.000 1.204 51 H CB 2.495 31.877 29.762 -0.634 0.000 1.493 51 H HN 0.483 nan 8.280 nan 0.000 0.511 52 L N 2.176 123.217 121.223 -0.303 0.000 2.554 52 L HA 0.086 4.426 4.340 0.000 0.000 0.225 52 L C -0.092 176.769 176.870 -0.014 0.000 1.104 52 L CA 0.027 54.801 54.840 -0.109 0.000 0.866 52 L CB 0.019 42.059 42.059 -0.033 0.000 1.047 52 L HN 0.475 nan 8.230 nan 0.000 0.468 53 F N 1.181 121.166 119.950 0.059 0.000 2.969 53 F HA -0.258 4.269 4.527 0.000 0.000 0.273 53 F C 0.922 176.671 175.800 -0.086 0.000 0.986 53 F CA 0.820 58.817 58.000 -0.005 0.000 0.926 53 F CB -1.748 37.286 39.000 0.056 0.000 0.887 53 F HN 0.226 nan 8.300 nan 0.000 0.816 54 K N -1.535 118.846 120.400 -0.030 0.000 2.498 54 K HA 0.375 4.696 4.320 0.000 0.000 0.207 54 K C 0.114 176.590 176.600 -0.207 0.000 1.033 54 K CA -0.216 56.013 56.287 -0.098 0.000 1.138 54 K CB 0.561 33.018 32.500 -0.073 0.000 0.860 54 K HN 0.170 nan 8.250 nan 0.000 0.490 55 E N 1.460 121.432 120.200 -0.381 0.000 2.383 55 E HA 0.162 4.513 4.350 0.000 0.000 0.264 55 E C 0.439 176.625 176.600 -0.689 0.000 1.050 55 E CA -0.039 55.978 56.400 -0.639 0.000 0.896 55 E CB 0.708 29.708 29.700 -1.167 0.000 0.982 55 E HN 0.195 nan 8.360 nan 0.000 0.424 56 R N 2.692 122.886 120.500 -0.510 0.000 2.241 56 R HA -0.085 4.255 4.340 0.000 0.000 0.224 56 R C 1.359 177.546 176.300 -0.190 0.000 1.101 56 R CA 1.444 57.385 56.100 -0.264 0.000 0.995 56 R CB -0.041 30.213 30.300 -0.077 0.000 0.870 56 R HN 0.701 nan 8.270 nan 0.000 0.463 57 W N 0.038 121.354 121.300 0.027 0.000 2.942 57 W HA 0.249 4.909 4.660 0.000 0.000 0.263 57 W C 0.103 176.635 176.519 0.020 0.000 1.296 57 W CA -0.760 56.595 57.345 0.017 0.000 1.504 57 W CB -0.420 29.050 29.460 0.018 0.000 1.096 57 W HN -0.184 nan 8.180 nan 0.000 0.639 58 D N 1.983 122.192 120.400 -0.319 0.000 2.354 58 D HA -0.074 4.566 4.640 0.000 0.000 0.238 58 D C 1.817 178.111 176.300 -0.010 0.000 1.250 58 D CA 1.576 55.485 54.000 -0.151 0.000 0.911 58 D CB 1.713 42.257 40.800 -0.427 0.000 1.163 58 D HN -0.038 nan 8.370 nan 0.000 0.456 59 T N -0.846 113.736 114.554 0.047 0.000 2.995 59 T HA -0.098 4.252 4.350 0.000 0.000 0.269 59 T C 1.338 176.079 174.700 0.067 0.000 1.091 59 T CA 0.702 62.837 62.100 0.060 0.000 1.128 59 T CB 0.080 69.004 68.868 0.094 0.000 0.891 59 T HN 0.185 nan 8.240 nan 0.000 0.492 60 N N 1.819 120.569 118.700 0.083 0.000 2.062 60 N HA 0.015 4.755 4.740 0.000 0.000 0.191 60 N C 1.919 177.438 175.510 0.014 0.000 1.042 60 N CA 1.312 54.413 53.050 0.084 0.000 0.845 60 N CB -0.261 38.264 38.487 0.062 0.000 1.024 60 N HN 0.504 nan 8.380 nan 0.000 0.424 61 K N 0.527 120.893 120.400 -0.057 0.000 2.097 61 K HA -0.032 4.288 4.320 0.000 0.000 0.206 61 K C 2.005 178.551 176.600 -0.091 0.000 1.049 61 K CA 0.737 56.982 56.287 -0.071 0.000 0.933 61 K CB -0.123 32.323 32.500 -0.090 0.000 0.717 61 K HN -0.019 nan 8.250 nan 0.000 0.442 62 V N 1.891 121.746 119.914 -0.098 0.000 2.307 62 V HA -0.215 3.905 4.120 0.000 0.000 0.245 62 V C 1.429 177.326 176.094 -0.328 0.000 1.045 62 V CA 1.873 64.080 62.300 -0.154 0.000 1.024 62 V CB -0.360 31.419 31.823 -0.073 0.000 0.651 62 V HN 0.251 nan 8.190 nan 0.000 0.449 63 D N -1.363 118.886 120.400 -0.252 0.000 2.312 63 D HA -0.086 4.554 4.640 0.000 0.000 0.211 63 D C 1.883 177.794 176.300 -0.648 0.000 0.964 63 D CA 0.952 54.714 54.000 -0.396 0.000 0.877 63 D CB -0.206 40.490 40.800 -0.175 0.000 0.924 63 D HN 0.528 nan 8.370 nan 0.000 0.515 64 H N -0.269 118.521 119.070 -0.466 0.000 2.551 64 H HA 0.056 4.612 4.556 0.000 0.000 0.271 64 H C -0.013 175.095 175.328 -0.367 0.000 0.984 64 H CA 0.225 56.066 56.048 -0.346 0.000 1.164 64 H CB 0.332 29.977 29.762 -0.194 0.000 1.437 64 H HN 0.301 nan 8.280 nan 0.000 0.550 65 H N 0.300 119.190 119.070 -0.300 0.000 2.770 65 H HA -0.119 4.437 4.556 0.000 0.000 0.309 65 H C 0.671 175.951 175.328 -0.079 0.000 1.206 65 H CA 1.129 56.983 56.048 -0.324 0.000 1.147 65 H CB -2.264 27.017 29.762 -0.802 0.000 1.422 65 H HN 0.479 nan 8.280 nan 0.000 0.420 66 T N -3.380 111.205 114.554 0.052 0.000 3.145 66 T HA 0.011 4.361 4.350 0.000 0.000 0.281 66 T C 1.236 176.025 174.700 0.148 0.000 1.003 66 T CA 0.173 62.404 62.100 0.218 0.000 0.901 66 T CB 0.435 69.378 68.868 0.125 0.000 1.112 66 T HN 0.438 nan 8.240 nan 0.000 0.535 67 D N 1.996 122.394 120.400 -0.003 0.000 2.312 67 D HA -0.098 4.543 4.640 0.000 0.000 0.211 67 D C 1.491 177.751 176.300 -0.066 0.000 0.964 67 D CA 0.416 54.396 54.000 -0.034 0.000 0.877 67 D CB 0.024 40.791 40.800 -0.056 0.000 0.924 67 D HN 0.393 nan 8.370 nan 0.000 0.515 68 K N -0.293 119.971 120.400 -0.227 0.000 2.228 68 K HA -0.038 4.283 4.320 0.000 0.000 0.202 68 K C 0.170 176.648 176.600 -0.204 0.000 1.051 68 K CA 0.095 56.125 56.287 -0.428 0.000 0.960 68 K CB -0.131 31.679 32.500 -1.151 0.000 0.743 68 K HN 0.179 nan 8.250 nan 0.000 0.458 69 Y N 2.502 122.790 120.300 -0.020 0.000 2.620 69 Y HA -0.062 4.488 4.550 0.000 0.000 0.330 69 Y C 0.762 176.710 175.900 0.080 0.000 1.186 69 Y CA 0.014 58.208 58.100 0.157 0.000 1.467 69 Y CB 0.296 38.820 38.460 0.107 0.000 1.262 69 Y HN -0.094 nan 8.280 nan 0.000 0.550 70 E N 4.010 124.364 120.200 0.256 0.000 1.999 70 E HA 0.003 4.353 4.350 0.000 0.000 0.296 70 E C -0.571 176.091 176.600 0.103 0.000 1.187 70 E CA 0.075 56.561 56.400 0.144 0.000 1.229 70 E CB -0.535 29.235 29.700 0.117 0.000 1.131 70 E HN 0.497 nan 8.360 nan 0.000 0.478 71 N N 1.801 120.552 118.700 0.085 0.000 2.369 71 N HA 0.038 4.778 4.740 0.000 0.000 0.287 71 N C -0.059 175.465 175.510 0.024 0.000 1.067 71 N CA -0.337 52.735 53.050 0.036 0.000 0.888 71 N CB 1.092 39.558 38.487 -0.035 0.000 1.616 71 N HN 0.031 nan 8.380 nan 0.000 0.482 72 N N 1.666 120.381 118.700 0.025 0.000 2.336 72 N HA 0.046 4.786 4.740 0.000 0.000 0.189 72 N C -0.316 175.201 175.510 0.013 0.000 1.113 72 N CA 0.405 53.461 53.050 0.010 0.000 0.858 72 N CB 0.359 38.850 38.487 0.006 0.000 0.970 72 N HN 0.388 nan 8.380 nan 0.000 0.471 73 K N 0.085 120.518 120.400 0.056 0.000 2.109 73 K HA 0.237 4.558 4.320 0.000 0.000 0.243 73 K C -0.467 176.161 176.600 0.046 0.000 1.006 73 K CA -1.166 55.163 56.287 0.071 0.000 0.917 73 K CB 1.328 33.931 32.500 0.171 0.000 1.081 73 K HN 0.030 nan 8.250 nan 0.000 0.468 74 L N 2.001 123.230 121.223 0.010 0.000 2.455 74 L HA 0.194 4.535 4.340 0.000 0.000 0.272 74 L C -0.706 176.138 176.870 -0.043 0.000 1.174 74 L CA 0.699 55.505 54.840 -0.058 0.000 0.869 74 L CB -0.013 41.990 42.059 -0.094 0.000 1.130 74 L HN 0.408 nan 8.230 nan 0.000 0.474 75 I N 6.555 127.042 120.570 -0.139 0.000 2.468 75 I HA 0.418 4.588 4.170 0.000 0.000 0.285 75 I C -0.495 175.453 176.117 -0.282 0.000 1.039 75 I CA -0.713 60.483 61.300 -0.173 0.000 1.074 75 I CB 1.672 39.508 38.000 -0.274 0.000 1.228 75 I HN 0.526 nan 8.210 nan 0.000 0.436 76 V N 3.021 122.713 119.914 -0.369 0.000 3.158 76 V HA 0.696 4.816 4.120 0.000 0.000 0.315 76 V C -0.470 175.545 176.094 -0.132 0.000 1.148 76 V CA -0.995 61.006 62.300 -0.499 0.000 1.042 76 V CB 2.186 33.342 31.823 -1.111 0.000 1.101 76 V HN 0.657 nan 8.190 nan 0.000 0.448 77 R N 0.678 121.295 120.500 0.196 0.000 2.711 77 R HA 0.564 4.904 4.340 0.000 0.000 0.284 77 R C -0.315 176.030 176.300 0.075 0.000 0.968 77 R CA -0.920 55.270 56.100 0.149 0.000 0.924 77 R CB 2.116 32.551 30.300 0.226 0.000 1.162 77 R HN 0.964 nan 8.270 nan 0.000 0.465 78 R N 0.253 120.745 120.500 -0.013 0.000 2.734 78 R HA 0.197 4.537 4.340 0.000 0.000 0.266 78 R C 0.503 176.759 176.300 -0.073 0.000 1.044 78 R CA 0.533 56.575 56.100 -0.096 0.000 1.128 78 R CB 0.086 30.313 30.300 -0.121 0.000 1.010 78 R HN 0.804 nan 8.270 nan 0.000 0.461 79 G N -0.025 108.669 108.800 -0.177 0.000 2.168 79 G HA2 -0.368 3.592 3.960 0.000 0.000 0.263 79 G HA3 -0.368 3.592 3.960 0.000 0.000 0.263 79 G C -0.058 174.773 174.900 -0.114 0.000 0.977 79 G CA 0.809 45.814 45.100 -0.157 0.000 0.659 79 G HN 0.794 nan 8.290 nan 0.000 0.533 80 Q N 0.516 120.277 119.800 -0.064 0.000 2.347 80 Q HA 0.600 4.940 4.340 0.000 0.000 0.271 80 Q C 0.467 176.521 176.000 0.089 0.000 1.064 80 Q CA -0.080 55.696 55.803 -0.045 0.000 0.800 80 Q CB 1.555 30.199 28.738 -0.157 0.000 1.304 80 Q HN 0.669 nan 8.270 nan 0.000 0.438 81 S N 2.770 118.467 115.700 -0.004 0.000 2.585 81 S HA 0.560 5.030 4.470 0.000 0.000 0.273 81 S C -0.316 174.358 174.600 0.122 0.000 1.339 81 S CA -0.390 57.788 58.200 -0.037 0.000 1.028 81 S CB 0.207 63.290 63.200 -0.195 0.000 0.906 81 S HN 0.470 nan 8.310 nan 0.000 0.528 82 F N -1.443 118.402 119.950 -0.174 0.000 2.643 82 F HA 0.768 5.295 4.527 0.000 0.000 0.314 82 F C -1.752 173.930 175.800 -0.198 0.000 1.096 82 F CA -1.934 55.935 58.000 -0.218 0.000 0.953 82 F CB 0.541 39.403 39.000 -0.229 0.000 1.345 82 F HN 0.460 nan 8.300 nan 0.000 0.468 83 Y N 1.434 121.844 120.300 0.184 0.000 2.360 83 Y HA 0.688 5.239 4.550 0.000 0.000 0.337 83 Y C 0.141 176.267 175.900 0.376 0.000 1.039 83 Y CA -1.201 56.996 58.100 0.162 0.000 1.109 83 Y CB 1.821 40.348 38.460 0.111 0.000 1.201 83 Y HN 0.715 nan 8.280 nan 0.000 0.458 84 V N 0.287 120.480 119.914 0.466 0.000 3.130 84 V HA 0.689 4.809 4.120 0.000 0.000 0.310 84 V C -1.298 174.984 176.094 0.313 0.000 1.158 84 V CA -1.023 61.479 62.300 0.338 0.000 1.029 84 V CB 2.159 34.089 31.823 0.177 0.000 1.057 84 V HN 0.761 nan 8.190 nan 0.000 0.436 85 Q N 1.212 121.079 119.800 0.113 0.000 2.305 85 Q HA 0.704 5.044 4.340 0.000 0.000 0.271 85 Q C -1.839 174.135 176.000 -0.044 0.000 1.046 85 Q CA -0.719 55.148 55.803 0.106 0.000 0.798 85 Q CB 2.348 31.203 28.738 0.195 0.000 1.286 85 Q HN 0.879 nan 8.270 nan 0.000 0.435 86 I N 2.907 123.385 120.570 -0.154 0.000 2.378 86 I HA 0.320 4.490 4.170 0.000 0.000 0.291 86 I C -0.876 174.913 176.117 -0.547 0.000 0.992 86 I CA -0.862 60.176 61.300 -0.435 0.000 1.154 86 I CB 1.682 39.264 38.000 -0.696 0.000 1.315 86 I HN 0.454 nan 8.210 nan 0.000 0.448 87 D N 6.725 126.868 120.400 -0.430 0.000 2.359 87 D HA 0.400 5.040 4.640 0.000 0.000 0.230 87 D C -0.313 175.790 176.300 -0.330 0.000 1.118 87 D CA 0.046 53.889 54.000 -0.262 0.000 0.844 87 D CB 0.968 41.736 40.800 -0.053 0.000 1.059 87 D HN 0.079 nan 8.370 nan 0.000 0.493 88 F N 0.204 120.132 119.950 -0.036 0.000 2.321 88 F HA 0.176 4.703 4.527 0.000 0.000 0.318 88 F C 2.149 177.944 175.800 -0.008 0.000 1.129 88 F CA -0.785 57.190 58.000 -0.041 0.000 1.074 88 F CB 0.419 39.388 39.000 -0.052 0.000 1.432 88 F HN 0.201 nan 8.300 nan 0.000 0.502 89 S N -0.666 115.178 115.700 0.241 0.000 2.501 89 S HA 0.182 4.653 4.470 0.000 0.000 0.220 89 S C 0.217 174.878 174.600 0.101 0.000 0.997 89 S CA -0.101 58.174 58.200 0.126 0.000 0.919 89 S CB -0.356 62.901 63.200 0.095 0.000 0.778 89 S HN 0.692 nan 8.310 nan 0.000 0.523 90 R N -0.949 119.623 120.500 0.119 0.000 2.692 90 R HA 0.598 4.938 4.340 0.000 0.000 0.269 90 R C -3.715 172.645 176.300 0.099 0.000 1.030 90 R CA -2.010 54.136 56.100 0.077 0.000 0.882 90 R CB -0.317 30.001 30.300 0.030 0.000 1.250 90 R HN -0.133 nan 8.270 nan 0.000 0.465 91 P HA -0.118 nan 4.420 nan 0.000 0.266 91 P C -1.345 176.004 177.300 0.081 0.000 1.193 91 P CA 0.080 63.248 63.100 0.114 0.000 0.770 91 P CB 0.137 31.881 31.700 0.074 0.000 0.836 92 Y N 2.872 123.177 120.300 0.007 0.000 2.436 92 Y HA 0.176 4.727 4.550 0.000 0.000 0.336 92 Y C 0.029 175.929 175.900 -0.000 0.000 1.049 92 Y CA -0.313 57.747 58.100 -0.067 0.000 1.294 92 Y CB 0.066 38.547 38.460 0.035 0.000 1.179 92 Y HN 0.235 nan 8.280 nan 0.000 0.520 93 D N 8.904 128.982 120.400 -0.536 0.000 2.427 93 D HA 0.285 4.925 4.640 0.000 0.000 0.226 93 D C -2.114 173.743 176.300 -0.739 0.000 1.076 93 D CA -2.533 51.184 54.000 -0.472 0.000 0.849 93 D CB 1.891 42.554 40.800 -0.228 0.000 1.052 93 D HN 0.358 nan 8.370 nan 0.000 0.515 94 P HA -0.132 nan 4.420 nan 0.000 0.217 94 P C 1.296 178.467 177.300 -0.215 0.000 1.148 94 P CA 0.813 63.629 63.100 -0.473 0.000 0.828 94 P CB 0.393 31.998 31.700 -0.159 0.000 0.783 95 R N -0.101 120.291 120.500 -0.179 0.000 2.075 95 R HA -0.057 4.283 4.340 0.000 0.000 0.232 95 R C 2.135 178.389 176.300 -0.075 0.000 1.126 95 R CA 1.516 57.559 56.100 -0.096 0.000 0.963 95 R CB -0.796 29.458 30.300 -0.077 0.000 0.858 95 R HN 0.413 nan 8.270 nan 0.000 0.435 96 R N -0.326 120.117 120.500 -0.096 0.000 2.469 96 R HA 0.229 4.569 4.340 0.000 0.000 0.250 96 R C -0.473 175.837 176.300 0.016 0.000 0.909 96 R CA -0.269 55.811 56.100 -0.034 0.000 1.050 96 R CB 0.435 30.718 30.300 -0.029 0.000 1.256 96 R HN -0.099 nan 8.270 nan 0.000 0.550 97 D N 1.738 122.127 120.400 -0.018 0.000 2.253 97 D HA 0.335 4.975 4.640 0.000 0.000 0.249 97 D C -0.925 175.531 176.300 0.259 0.000 1.049 97 D CA -0.309 53.768 54.000 0.128 0.000 0.929 97 D CB 2.218 43.090 40.800 0.120 0.000 1.176 97 D HN -0.012 nan 8.370 nan 0.000 0.437 98 L N 2.647 124.058 121.223 0.313 0.000 2.516 98 L HA 0.535 4.875 4.340 0.000 0.000 0.267 98 L C -1.724 175.399 176.870 0.421 0.000 0.957 98 L CA -0.649 54.358 54.840 0.278 0.000 0.860 98 L CB 1.217 43.360 42.059 0.139 0.000 1.265 98 L HN 0.383 nan 8.230 nan 0.000 0.403 99 F N 3.049 123.109 119.950 0.184 0.000 2.686 99 F HA 0.924 5.452 4.527 0.000 0.000 0.311 99 F C -1.367 174.534 175.800 0.168 0.000 1.128 99 F CA -0.897 57.246 58.000 0.239 0.000 0.946 99 F CB 1.527 40.647 39.000 0.201 0.000 1.336 99 F HN 0.613 nan 8.300 nan 0.000 0.457 100 R N 1.002 121.618 120.500 0.193 0.000 2.710 100 R HA 0.794 5.134 4.340 0.000 0.000 0.270 100 R C -2.325 174.073 176.300 0.162 0.000 1.021 100 R CA -1.153 54.950 56.100 0.005 0.000 0.889 100 R CB 1.763 32.070 30.300 0.011 0.000 1.243 100 R HN 0.587 nan 8.270 nan 0.000 0.464 101 V N 1.238 121.181 119.914 0.048 0.000 2.644 101 V HA 0.318 4.438 4.120 0.000 0.000 0.295 101 V C -0.037 175.972 176.094 -0.141 0.000 1.053 101 V CA -0.374 61.914 62.300 -0.020 0.000 0.987 101 V CB 1.470 33.267 31.823 -0.043 0.000 1.006 101 V HN 0.729 nan 8.190 nan 0.000 0.472 102 E N 2.296 122.362 120.200 -0.224 0.000 2.248 102 E HA 0.511 4.861 4.350 0.000 0.000 0.267 102 E C -1.907 174.453 176.600 -0.400 0.000 0.877 102 E CA -0.590 55.657 56.400 -0.255 0.000 0.759 102 E CB 2.310 32.002 29.700 -0.014 0.000 1.182 102 E HN 0.594 nan 8.360 nan 0.000 0.418 103 Y N 0.928 121.106 120.300 -0.203 0.000 2.364 103 Y HA 0.463 5.014 4.550 0.000 0.000 0.340 103 Y C -0.402 175.569 175.900 0.117 0.000 0.975 103 Y CA -0.732 57.334 58.100 -0.057 0.000 1.089 103 Y CB 1.621 39.877 38.460 -0.340 0.000 1.192 103 Y HN 0.204 nan 8.280 nan 0.000 0.454 104 V N 5.401 125.586 119.914 0.452 0.000 2.709 104 V HA 0.531 4.651 4.120 0.000 0.000 0.308 104 V C -0.862 175.370 176.094 0.229 0.000 1.062 104 V CA -1.017 61.498 62.300 0.357 0.000 0.901 104 V CB 2.463 34.488 31.823 0.337 0.000 1.003 104 V HN 0.696 nan 8.190 nan 0.000 0.425 105 I N 2.682 123.284 120.570 0.054 0.000 2.619 105 I HA 0.809 4.979 4.170 0.000 0.000 0.292 105 I C 0.241 176.299 176.117 -0.097 0.000 1.100 105 I CA 0.457 61.642 61.300 -0.191 0.000 1.043 105 I CB 1.795 39.380 38.000 -0.691 0.000 1.239 105 I HN 1.029 nan 8.210 nan 0.000 0.420 106 G N 5.774 114.512 108.800 -0.103 0.000 2.795 106 G HA2 -0.241 3.719 3.960 0.000 0.000 0.664 106 G HA3 -0.241 3.719 3.960 0.000 0.000 0.664 106 G C 0.096 174.931 174.900 -0.109 0.000 1.381 106 G CA 0.170 45.225 45.100 -0.076 0.000 0.853 106 G HN 0.899 nan 8.290 nan 0.000 0.545 107 R N -0.879 119.505 120.500 -0.193 0.000 2.193 107 R HA 0.116 4.456 4.340 0.000 0.000 0.213 107 R C 0.314 176.220 176.300 -0.656 0.000 1.055 107 R CA 1.164 56.985 56.100 -0.465 0.000 0.995 107 R CB -0.044 29.845 30.300 -0.686 0.000 0.893 107 R HN 0.555 nan 8.270 nan 0.000 0.459 108 Y N 0.614 120.907 120.300 -0.013 0.000 2.495 108 Y HA 0.398 4.948 4.550 0.000 0.000 0.362 108 Y C -2.336 173.563 175.900 -0.002 0.000 0.956 108 Y CA -3.161 54.929 58.100 -0.015 0.000 1.127 108 Y CB 0.691 39.140 38.460 -0.018 0.000 1.173 108 Y HN 0.018 nan 8.280 nan 0.000 0.639 109 P HA 0.096 nan 4.420 nan 0.000 0.268 109 P C -0.502 176.857 177.300 0.098 0.000 1.205 109 P CA 0.193 63.357 63.100 0.106 0.000 0.771 109 P CB 0.754 32.525 31.700 0.117 0.000 0.858 110 Q N 0.798 120.679 119.800 0.135 0.000 2.315 110 Q HA 0.120 4.461 4.340 0.000 0.000 0.273 110 Q C 0.583 176.689 176.000 0.178 0.000 1.053 110 Q CA -0.542 55.328 55.803 0.113 0.000 0.817 110 Q CB 2.256 31.043 28.738 0.082 0.000 1.326 110 Q HN 0.466 nan 8.270 nan 0.000 0.423 111 E N 1.795 122.121 120.200 0.210 0.000 2.077 111 E HA -0.210 4.140 4.350 0.000 0.000 0.193 111 E C 1.092 177.775 176.600 0.138 0.000 0.989 111 E CA 1.787 58.333 56.400 0.243 0.000 0.800 111 E CB 0.284 30.163 29.700 0.298 0.000 0.746 111 E HN 0.628 nan 8.360 nan 0.000 0.452 112 N N 0.319 119.083 118.700 0.106 0.000 2.571 112 N HA -0.110 4.630 4.740 0.000 0.000 0.189 112 N C 0.773 176.332 175.510 0.082 0.000 1.154 112 N CA 0.612 53.711 53.050 0.083 0.000 0.907 112 N CB 0.191 38.716 38.487 0.063 0.000 0.977 112 N HN 0.053 nan 8.380 nan 0.000 0.449 113 K N -0.800 119.656 120.400 0.093 0.000 2.358 113 K HA 0.231 4.551 4.320 0.000 0.000 0.200 113 K C 0.790 177.456 176.600 0.110 0.000 1.030 113 K CA 0.444 56.785 56.287 0.091 0.000 1.097 113 K CB 0.453 33.003 32.500 0.084 0.000 0.862 113 K HN 0.317 nan 8.250 nan 0.000 0.534 114 G N 2.129 111.003 108.800 0.123 0.000 2.162 114 G HA2 -0.313 3.647 3.960 0.000 0.000 0.260 114 G HA3 -0.313 3.647 3.960 0.000 0.000 0.260 114 G C 0.868 175.876 174.900 0.179 0.000 0.976 114 G CA 1.166 46.352 45.100 0.143 0.000 0.655 114 G HN 0.374 nan 8.290 nan 0.000 0.533 115 T N -3.458 111.198 114.554 0.170 0.000 3.060 115 T HA 0.430 4.780 4.350 0.000 0.000 0.249 115 T C 0.467 175.310 174.700 0.239 0.000 1.079 115 T CA 0.896 63.105 62.100 0.182 0.000 1.013 115 T CB 0.412 69.350 68.868 0.117 0.000 0.975 115 T HN 1.024 nan 8.240 nan 0.000 0.518 116 Y N 1.308 121.659 120.300 0.084 0.000 2.338 116 Y HA 0.647 5.197 4.550 0.000 0.000 0.333 116 Y C -1.675 174.225 175.900 -0.001 0.000 0.968 116 Y CA -2.433 55.699 58.100 0.053 0.000 1.123 116 Y CB 1.123 39.599 38.460 0.027 0.000 1.165 116 Y HN 0.091 nan 8.280 nan 0.000 0.452 117 I N 9.608 129.781 120.570 -0.661 0.000 2.466 117 I HA 0.354 4.524 4.170 0.000 0.000 0.279 117 I C -2.611 173.016 176.117 -0.817 0.000 1.033 117 I CA -2.010 58.858 61.300 -0.720 0.000 1.123 117 I CB 1.899 39.400 38.000 -0.832 0.000 1.237 117 I HN 0.442 nan 8.210 nan 0.000 0.460 118 P HA 0.153 nan 4.420 nan 0.000 0.286 118 P C -0.368 176.777 177.300 -0.258 0.000 1.321 118 P CA -0.217 62.640 63.100 -0.405 0.000 0.790 118 P CB 1.347 32.949 31.700 -0.163 0.000 0.897 119 V N 7.222 127.016 119.914 -0.200 0.000 2.389 119 V HA 0.195 4.315 4.120 0.000 0.000 0.264 119 V C -1.490 174.562 176.094 -0.069 0.000 1.049 119 V CA -1.628 60.628 62.300 -0.074 0.000 0.932 119 V CB 0.666 32.517 31.823 0.045 0.000 1.011 119 V HN 0.532 nan 8.190 nan 0.000 0.475 120 P HA 0.302 nan 4.420 nan 0.000 0.278 120 P C -0.569 176.657 177.300 -0.122 0.000 1.238 120 P CA -0.459 62.571 63.100 -0.117 0.000 0.794 120 P CB 1.380 33.022 31.700 -0.096 0.000 0.955 121 I N 3.380 123.831 120.570 -0.198 0.000 2.471 121 I HA 0.104 4.274 4.170 0.000 0.000 0.286 121 I C 0.915 176.971 176.117 -0.103 0.000 1.079 121 I CA -0.147 61.041 61.300 -0.186 0.000 1.398 121 I CB 0.642 38.473 38.000 -0.282 0.000 1.403 121 I HN 0.203 nan 8.210 nan 0.000 0.530 122 V N 3.225 123.102 119.914 -0.062 0.000 3.074 122 V HA 0.580 4.700 4.120 0.000 0.000 0.314 122 V C 0.768 176.851 176.094 -0.017 0.000 1.117 122 V CA -0.403 61.875 62.300 -0.036 0.000 1.014 122 V CB 1.539 33.346 31.823 -0.027 0.000 1.057 122 V HN 0.752 nan 8.190 nan 0.000 0.438 123 S N -0.170 115.525 115.700 -0.009 0.000 2.377 123 S HA 0.169 4.640 4.470 0.000 0.000 0.223 123 S C 0.532 175.133 174.600 0.002 0.000 1.030 123 S CA 0.535 58.737 58.200 0.004 0.000 0.970 123 S CB -0.272 62.931 63.200 0.005 0.000 0.830 123 S HN 0.825 nan 8.310 nan 0.000 0.473 124 E N 0.752 120.949 120.200 -0.005 0.000 2.256 124 E HA 0.477 4.827 4.350 0.000 0.000 0.268 124 E C -1.292 175.299 176.600 -0.014 0.000 0.877 124 E CA -0.474 55.922 56.400 -0.007 0.000 0.757 124 E CB 1.964 31.660 29.700 -0.006 0.000 1.183 124 E HN 0.321 nan 8.360 nan 0.000 0.418 125 L N 3.178 124.389 121.223 -0.020 0.000 2.433 125 L HA 0.110 4.450 4.340 0.000 0.000 0.275 125 L C 0.484 177.335 176.870 -0.032 0.000 1.128 125 L CA -0.126 54.696 54.840 -0.031 0.000 0.875 125 L CB 0.146 42.177 42.059 -0.046 0.000 1.171 125 L HN 0.254 nan 8.230 nan 0.000 0.463 126 Q N 1.825 121.607 119.800 -0.029 0.000 2.299 126 Q HA 0.231 4.571 4.340 0.000 0.000 0.246 126 Q C 0.040 176.014 176.000 -0.044 0.000 0.935 126 Q CA -0.111 55.675 55.803 -0.029 0.000 0.887 126 Q CB 1.510 30.236 28.738 -0.020 0.000 1.223 126 Q HN 0.557 nan 8.270 nan 0.000 0.439 127 S N 0.511 116.184 115.700 -0.045 0.000 2.549 127 S HA 0.415 4.886 4.470 0.000 0.000 0.279 127 S C 1.018 175.584 174.600 -0.058 0.000 1.321 127 S CA 0.752 58.917 58.200 -0.058 0.000 1.054 127 S CB -0.074 63.095 63.200 -0.052 0.000 0.899 127 S HN 0.896 nan 8.310 nan 0.000 0.497 128 G N 3.839 112.592 108.800 -0.078 0.000 2.199 128 G HA2 -0.207 3.753 3.960 0.000 0.000 0.254 128 G HA3 -0.207 3.753 3.960 0.000 0.000 0.254 128 G C -0.103 174.755 174.900 -0.070 0.000 0.982 128 G CA 0.461 45.517 45.100 -0.073 0.000 0.632 128 G HN 0.703 nan 8.290 nan 0.000 0.529 129 K N -1.033 119.327 120.400 -0.067 0.000 2.328 129 K HA 0.500 4.820 4.320 0.000 0.000 0.246 129 K C -0.695 175.886 176.600 -0.033 0.000 0.955 129 K CA -1.072 55.205 56.287 -0.016 0.000 0.817 129 K CB 1.556 34.072 32.500 0.027 0.000 1.208 129 K HN 0.086 nan 8.250 nan 0.000 0.432 130 W N 0.637 121.914 121.300 -0.037 0.000 2.190 130 W HA 0.367 5.027 4.660 0.000 0.000 0.330 130 W C 0.719 177.207 176.519 -0.052 0.000 1.299 130 W CA 0.982 58.299 57.345 -0.046 0.000 1.215 130 W CB 1.236 30.670 29.460 -0.043 0.000 1.147 130 W HN 0.728 nan 8.180 nan 0.000 0.563 131 G N 0.511 109.450 108.800 0.233 0.000 2.442 131 G HA2 0.580 4.541 3.960 0.000 0.000 0.296 131 G HA3 0.580 4.541 3.960 0.000 0.000 0.296 131 G C -2.233 172.696 174.900 0.049 0.000 1.564 131 G CA -0.582 44.578 45.100 0.100 0.000 0.828 131 G HN 0.716 nan 8.290 nan 0.000 0.571 132 A N 0.957 123.779 122.820 0.003 0.000 2.343 132 A HA 0.840 5.160 4.320 0.000 0.000 0.308 132 A C -0.348 177.213 177.584 -0.037 0.000 1.092 132 A CA -0.680 51.340 52.037 -0.028 0.000 0.751 132 A CB 1.719 20.701 19.000 -0.029 0.000 1.203 132 A HN 0.704 nan 8.150 nan 0.000 0.452 133 K N 3.421 123.808 120.400 -0.020 0.000 2.274 133 K HA 0.569 4.889 4.320 0.000 0.000 0.262 133 K C -1.038 175.582 176.600 0.034 0.000 0.961 133 K CA -0.542 55.746 56.287 0.002 0.000 0.833 133 K CB 0.812 33.316 32.500 0.008 0.000 1.102 133 K HN 0.718 nan 8.250 nan 0.000 0.436 134 I N 5.803 126.398 120.570 0.041 0.000 2.436 134 I HA -0.050 4.120 4.170 0.000 0.000 0.289 134 I C 1.353 177.517 176.117 0.080 0.000 1.083 134 I CA -0.200 61.143 61.300 0.071 0.000 1.372 134 I CB 1.001 39.053 38.000 0.086 0.000 1.408 134 I HN 0.547 nan 8.210 nan 0.000 0.516 135 V N 3.704 123.669 119.914 0.085 0.000 3.431 135 V HA 0.351 4.472 4.120 0.000 0.000 0.253 135 V C 0.612 176.735 176.094 0.049 0.000 1.184 135 V CA 0.241 62.582 62.300 0.069 0.000 1.104 135 V CB 0.126 31.997 31.823 0.081 0.000 0.799 135 V HN 0.695 nan 8.190 nan 0.000 0.462 136 M N 0.824 120.460 119.600 0.061 0.000 2.371 136 M HA 0.561 5.041 4.480 0.000 0.000 0.287 136 M C -1.389 174.967 176.300 0.092 0.000 1.149 136 M CA -0.385 54.949 55.300 0.056 0.000 0.929 136 M CB 3.214 35.825 32.600 0.018 0.000 1.683 136 M HN 0.085 nan 8.290 nan 0.000 0.470 137 R N 2.288 122.848 120.500 0.100 0.000 2.437 137 R HA 0.567 4.907 4.340 0.000 0.000 0.310 137 R C -1.146 175.213 176.300 0.099 0.000 0.955 137 R CA -0.604 55.576 56.100 0.133 0.000 0.851 137 R CB 2.265 32.664 30.300 0.165 0.000 1.161 137 R HN 0.704 nan 8.270 nan 0.000 0.446 138 E N 3.343 123.604 120.200 0.101 0.000 2.454 138 E HA 0.123 4.473 4.350 0.000 0.000 0.315 138 E C -1.094 175.554 176.600 0.079 0.000 0.907 138 E CA -0.283 56.161 56.400 0.074 0.000 0.797 138 E CB 0.606 30.338 29.700 0.053 0.000 1.396 138 E HN 0.613 nan 8.360 nan 0.000 0.389 139 D N 1.691 122.136 120.400 0.075 0.000 3.935 139 D HA -0.246 4.394 4.640 0.000 0.000 0.149 139 D C 0.544 176.908 176.300 0.107 0.000 0.932 139 D CA 1.193 55.238 54.000 0.074 0.000 1.083 139 D CB -0.428 40.407 40.800 0.058 0.000 0.549 139 D HN 0.645 nan 8.370 nan 0.000 0.577 140 R N 0.499 121.065 120.500 0.110 0.000 2.334 140 R HA 0.305 4.645 4.340 0.000 0.000 0.220 140 R C 0.109 176.524 176.300 0.192 0.000 0.917 140 R CA 0.173 56.370 56.100 0.162 0.000 1.073 140 R CB 0.084 30.463 30.300 0.131 0.000 1.056 140 R HN 0.155 nan 8.270 nan 0.000 0.506 141 S N 0.499 116.280 115.700 0.134 0.000 2.593 141 S HA 0.596 5.066 4.470 0.000 0.000 0.297 141 S C -0.262 174.414 174.600 0.125 0.000 1.112 141 S CA -0.668 57.580 58.200 0.079 0.000 1.043 141 S CB 2.714 65.943 63.200 0.048 0.000 1.054 141 S HN -0.116 nan 8.310 nan 0.000 0.516 142 V N 1.960 121.914 119.914 0.067 0.000 2.686 142 V HA 0.533 4.653 4.120 0.000 0.000 0.306 142 V C -0.281 175.865 176.094 0.087 0.000 1.065 142 V CA -0.832 61.534 62.300 0.111 0.000 0.894 142 V CB 1.870 33.784 31.823 0.153 0.000 1.004 142 V HN 0.816 nan 8.190 nan 0.000 0.424 143 R N 4.040 124.606 120.500 0.109 0.000 2.338 143 R HA 0.780 5.120 4.340 0.000 0.000 0.317 143 R C -1.620 174.763 176.300 0.138 0.000 0.968 143 R CA -0.512 55.668 56.100 0.132 0.000 0.849 143 R CB 1.128 31.479 30.300 0.085 0.000 1.128 143 R HN 0.719 nan 8.270 nan 0.000 0.448 144 L N 1.693 123.019 121.223 0.171 0.000 2.333 144 L HA 0.445 4.785 4.340 0.000 0.000 0.269 144 L C -0.073 176.906 176.870 0.182 0.000 1.010 144 L CA -0.842 54.082 54.840 0.140 0.000 0.818 144 L CB 2.114 44.232 42.059 0.099 0.000 1.306 144 L HN 0.517 nan 8.230 nan 0.000 0.430 145 S N 2.264 118.021 115.700 0.095 0.000 2.594 145 S HA 0.603 5.073 4.470 0.000 0.000 0.322 145 S C -0.598 173.892 174.600 -0.184 0.000 1.085 145 S CA -0.513 57.674 58.200 -0.023 0.000 1.116 145 S CB 0.014 63.235 63.200 0.034 0.000 0.979 145 S HN 0.400 nan 8.310 nan 0.000 0.465 146 I N 4.369 124.685 120.570 -0.423 0.000 2.353 146 I HA 0.392 4.562 4.170 0.000 0.000 0.293 146 I C 0.262 176.113 176.117 -0.444 0.000 0.992 146 I CA -0.468 60.561 61.300 -0.453 0.000 1.268 146 I CB 1.530 39.119 38.000 -0.684 0.000 1.387 146 I HN 0.518 nan 8.210 nan 0.000 0.478 147 Q N 5.489 125.151 119.800 -0.230 0.000 2.331 147 Q HA 0.417 4.757 4.340 0.000 0.000 0.267 147 Q C -0.755 174.950 176.000 -0.492 0.000 1.006 147 Q CA -0.657 54.994 55.803 -0.253 0.000 0.818 147 Q CB 1.841 30.466 28.738 -0.189 0.000 1.276 147 Q HN 0.836 nan 8.270 nan 0.000 0.450 148 S N 2.093 117.325 115.700 -0.779 0.000 2.672 148 S HA 0.399 4.869 4.470 0.000 0.000 0.276 148 S C 0.069 173.980 174.600 -1.148 0.000 1.207 148 S CA -0.778 56.343 58.200 -1.799 0.000 1.002 148 S CB 1.711 64.016 63.200 -1.493 0.000 0.998 148 S HN 0.569 nan 8.310 nan 0.000 0.542 149 S N 1.701 116.613 115.700 -1.313 0.000 2.564 149 S HA 0.278 4.749 4.470 0.000 0.000 0.278 149 S C -1.433 172.993 174.600 -0.289 0.000 1.333 149 S CA -1.512 56.382 58.200 -0.511 0.000 1.048 149 S CB 0.344 63.423 63.200 -0.202 0.000 0.900 149 S HN 0.664 nan 8.310 nan 0.000 0.505 150 P HA 0.027 nan 4.420 nan 0.000 0.237 150 P C 0.091 177.384 177.300 -0.012 0.000 1.178 150 P CA 0.801 63.854 63.100 -0.078 0.000 0.766 150 P CB 0.032 31.699 31.700 -0.054 0.000 0.876 151 K N -1.028 119.372 120.400 -0.001 0.000 2.397 151 K HA 0.115 4.435 4.320 0.000 0.000 0.202 151 K C 0.512 177.156 176.600 0.073 0.000 1.022 151 K CA -0.370 55.950 56.287 0.055 0.000 1.141 151 K CB -0.164 32.376 32.500 0.066 0.000 0.857 151 K HN 0.087 nan 8.250 nan 0.000 0.514 152 C N 1.806 121.130 119.300 0.040 0.000 2.657 152 C HA 0.128 4.588 4.460 0.000 0.000 0.420 152 C C 0.915 175.954 174.990 0.081 0.000 1.323 152 C CA -0.753 58.327 59.018 0.103 0.000 1.894 152 C CB -0.667 27.102 27.740 0.049 0.000 2.681 152 C HN 0.363 nan 8.230 nan 0.000 0.613 153 I N 5.534 126.222 120.570 0.197 0.000 2.815 153 I HA 0.060 4.230 4.170 0.000 0.000 0.291 153 I C 0.315 176.526 176.117 0.158 0.000 1.209 153 I CA 0.355 61.759 61.300 0.174 0.000 1.431 153 I CB 0.491 38.638 38.000 0.245 0.000 1.351 153 I HN 0.361 nan 8.210 nan 0.000 0.585 154 V N 5.928 125.822 119.914 -0.034 0.000 2.407 154 V HA 0.811 4.932 4.120 0.000 0.000 0.278 154 V C 0.554 176.661 176.094 0.021 0.000 1.037 154 V CA 0.252 62.490 62.300 -0.103 0.000 0.900 154 V CB 0.734 32.282 31.823 -0.458 0.000 0.983 154 V HN 1.081 nan 8.190 nan 0.000 0.459 155 G N 4.314 113.177 108.800 0.105 0.000 2.327 155 G HA2 0.200 4.160 3.960 0.000 0.000 0.291 155 G HA3 0.200 4.160 3.960 0.000 0.000 0.291 155 G C -1.380 173.567 174.900 0.079 0.000 1.290 155 G CA -0.834 44.290 45.100 0.040 0.000 0.857 155 G HN 0.553 nan 8.290 nan 0.000 0.520 156 K N 0.544 120.881 120.400 -0.106 0.000 2.268 156 K HA 0.559 4.879 4.320 0.000 0.000 0.276 156 K C -0.947 175.531 176.600 -0.204 0.000 1.080 156 K CA -0.406 55.714 56.287 -0.278 0.000 0.910 156 K CB 0.172 32.363 32.500 -0.515 0.000 1.163 156 K HN 0.223 nan 8.250 nan 0.000 0.465 157 F N 2.258 122.128 119.950 -0.132 0.000 2.403 157 F HA 0.419 4.946 4.527 0.000 0.000 0.326 157 F C 0.827 176.626 175.800 -0.001 0.000 1.081 157 F CA -0.668 57.331 58.000 -0.001 0.000 1.041 157 F CB 1.035 40.105 39.000 0.117 0.000 1.234 157 F HN 0.310 nan 8.300 nan 0.000 0.503 158 R N 1.728 122.363 120.500 0.226 0.000 2.368 158 R HA 0.504 4.844 4.340 0.000 0.000 0.302 158 R C -0.566 175.732 176.300 -0.003 0.000 1.002 158 R CA -0.548 55.572 56.100 0.033 0.000 0.929 158 R CB 1.385 31.718 30.300 0.056 0.000 1.073 158 R HN 0.643 nan 8.270 nan 0.000 0.464 159 M N 3.329 122.761 119.600 -0.280 0.000 2.364 159 M HA 0.419 4.899 4.480 0.000 0.000 0.334 159 M C -1.650 174.262 176.300 -0.646 0.000 1.107 159 M CA -0.526 54.521 55.300 -0.421 0.000 0.988 159 M CB 1.116 33.539 32.600 -0.296 0.000 1.673 159 M HN 0.570 nan 8.290 nan 0.000 0.441 160 Y N 2.030 122.200 120.300 -0.216 0.000 2.553 160 Y HA 0.608 5.159 4.550 0.000 0.000 0.347 160 Y C -0.756 175.085 175.900 -0.099 0.000 1.019 160 Y CA -0.891 57.140 58.100 -0.116 0.000 1.032 160 Y CB 2.143 40.566 38.460 -0.061 0.000 1.284 160 Y HN 0.356 nan 8.280 nan 0.000 0.466 161 V N 2.025 122.013 119.914 0.123 0.000 2.448 161 V HA 0.846 4.966 4.120 0.000 0.000 0.295 161 V C -0.511 175.692 176.094 0.182 0.000 1.025 161 V CA -0.825 61.564 62.300 0.148 0.000 0.859 161 V CB 1.317 33.205 31.823 0.108 0.000 0.988 161 V HN 0.839 nan 8.190 nan 0.000 0.431 162 A N 4.516 127.476 122.820 0.233 0.000 2.330 162 A HA 0.822 5.142 4.320 0.000 0.000 0.313 162 A C -0.797 176.939 177.584 0.253 0.000 1.124 162 A CA -0.537 51.594 52.037 0.155 0.000 0.774 162 A CB 1.492 20.543 19.000 0.085 0.000 1.198 162 A HN 0.644 nan 8.150 nan 0.000 0.465 163 V N 2.553 122.540 119.914 0.121 0.000 2.383 163 V HA 0.274 4.394 4.120 0.000 0.000 0.275 163 V C -0.803 175.280 176.094 -0.019 0.000 1.036 163 V CA -0.316 62.087 62.300 0.171 0.000 0.889 163 V CB 0.684 32.567 31.823 0.101 0.000 0.985 163 V HN 0.866 nan 8.190 nan 0.000 0.459 164 W N 3.540 124.824 121.300 -0.026 0.000 2.351 164 W HA 0.594 5.254 4.660 0.000 0.000 0.311 164 W C 0.707 177.063 176.519 -0.272 0.000 1.168 164 W CA -0.283 56.992 57.345 -0.117 0.000 1.200 164 W CB 1.380 30.802 29.460 -0.063 0.000 1.221 164 W HN 0.655 nan 8.180 nan 0.000 0.519 165 T N 0.239 114.619 114.554 -0.290 0.000 2.930 165 T HA 0.431 4.782 4.350 0.000 0.000 0.290 165 T C -1.639 172.825 174.700 -0.394 0.000 1.052 165 T CA -2.174 59.527 62.100 -0.664 0.000 1.017 165 T CB 2.341 70.461 68.868 -1.247 0.000 1.137 165 T HN 0.235 nan 8.240 nan 0.000 0.511 166 P HA -0.034 nan 4.420 nan 0.000 0.228 166 P C 0.197 177.292 177.300 -0.342 0.000 1.151 166 P CA 0.857 63.713 63.100 -0.406 0.000 0.770 166 P CB -0.185 31.222 31.700 -0.489 0.000 0.786 167 Y N -0.613 119.661 120.300 -0.044 0.000 2.458 167 Y HA 0.529 5.079 4.550 0.000 0.000 0.256 167 Y C 1.680 177.524 175.900 -0.093 0.000 1.159 167 Y CA -0.017 58.057 58.100 -0.042 0.000 1.261 167 Y CB 0.018 38.468 38.460 -0.016 0.000 1.119 167 Y HN 0.049 nan 8.280 nan 0.000 0.524 168 G N -0.683 108.068 108.800 -0.082 0.000 2.278 168 G HA2 0.178 4.138 3.960 0.000 0.000 0.265 168 G HA3 0.178 4.138 3.960 0.000 0.000 0.265 168 G C -1.916 172.760 174.900 -0.374 0.000 1.329 168 G CA -0.774 44.215 45.100 -0.185 0.000 1.017 168 G HN -0.121 nan 8.290 nan 0.000 0.472 169 V N 0.402 120.051 119.914 -0.442 0.000 2.581 169 V HA 0.748 4.868 4.120 0.000 0.000 0.303 169 V C -0.638 175.268 176.094 -0.313 0.000 1.041 169 V CA -0.758 61.215 62.300 -0.546 0.000 0.907 169 V CB 1.523 32.893 31.823 -0.754 0.000 0.994 169 V HN 0.668 nan 8.190 nan 0.000 0.442 170 L N 5.090 126.161 121.223 -0.253 0.000 2.325 170 L HA 0.655 4.995 4.340 0.000 0.000 0.281 170 L C -0.157 176.664 176.870 -0.082 0.000 1.004 170 L CA -0.082 54.684 54.840 -0.123 0.000 0.823 170 L CB 1.408 43.427 42.059 -0.068 0.000 1.236 170 L HN 0.689 nan 8.230 nan 0.000 0.415 171 R N 1.053 121.522 120.500 -0.052 0.000 2.744 171 R HA 0.708 5.048 4.340 0.000 0.000 0.279 171 R C -0.406 175.924 176.300 0.051 0.000 0.977 171 R CA -0.441 55.659 56.100 -0.000 0.000 0.906 171 R CB 1.740 32.007 30.300 -0.055 0.000 1.197 171 R HN 0.730 nan 8.270 nan 0.000 0.463 172 T N 0.314 114.930 114.554 0.102 0.000 2.734 172 T HA 0.142 4.492 4.350 0.000 0.000 0.314 172 T C 0.624 175.411 174.700 0.145 0.000 1.057 172 T CA -0.383 61.771 62.100 0.091 0.000 1.047 172 T CB 0.776 69.676 68.868 0.053 0.000 0.991 172 T HN 0.648 nan 8.240 nan 0.000 0.540 173 S N -0.038 115.713 115.700 0.084 0.000 2.730 173 S HA 0.515 4.985 4.470 0.000 0.000 0.284 173 S C 0.092 174.745 174.600 0.088 0.000 1.153 173 S CA -1.190 57.072 58.200 0.103 0.000 0.995 173 S CB 0.728 63.953 63.200 0.042 0.000 1.058 173 S HN 0.879 nan 8.310 nan 0.000 0.552 174 R N 1.353 121.921 120.500 0.114 0.000 2.504 174 R HA 0.159 4.499 4.340 0.000 0.000 0.291 174 R C -0.833 175.424 176.300 -0.071 0.000 0.974 174 R CA 0.690 56.806 56.100 0.027 0.000 1.077 174 R CB -0.690 29.644 30.300 0.056 0.000 0.926 174 R HN 0.744 nan 8.270 nan 0.000 0.407 175 N N 5.308 123.910 118.700 -0.162 0.000 2.607 175 N HA 0.330 5.070 4.740 0.000 0.000 0.271 175 N C -2.446 172.977 175.510 -0.146 0.000 1.142 175 N CA -2.115 50.850 53.050 -0.141 0.000 0.810 175 N CB 1.846 40.238 38.487 -0.159 0.000 1.306 175 N HN 0.322 nan 8.380 nan 0.000 0.536 176 P HA -0.076 nan 4.420 nan 0.000 0.221 176 P C 0.760 178.006 177.300 -0.089 0.000 1.145 176 P CA 0.899 63.944 63.100 -0.092 0.000 0.795 176 P CB 0.506 32.169 31.700 -0.063 0.000 0.775 177 E N -0.990 119.158 120.200 -0.088 0.000 2.204 177 E HA -0.094 4.257 4.350 0.000 0.000 0.194 177 E C 1.651 178.198 176.600 -0.089 0.000 0.989 177 E CA 1.598 57.951 56.400 -0.078 0.000 0.824 177 E CB -0.994 28.658 29.700 -0.079 0.000 0.756 177 E HN 0.406 nan 8.360 nan 0.000 0.477 178 T N -1.372 113.113 114.554 -0.116 0.000 3.086 178 T HA 0.057 4.407 4.350 0.000 0.000 0.250 178 T C 0.299 174.949 174.700 -0.083 0.000 1.074 178 T CA -0.461 61.574 62.100 -0.108 0.000 0.988 178 T CB 0.030 68.811 68.868 -0.145 0.000 0.988 178 T HN -0.255 nan 8.240 nan 0.000 0.530 179 D N 3.185 123.522 120.400 -0.105 0.000 2.487 179 D HA 0.183 4.823 4.640 0.000 0.000 0.243 179 D C -0.187 176.044 176.300 -0.115 0.000 1.154 179 D CA 0.763 54.694 54.000 -0.116 0.000 0.876 179 D CB 0.783 41.479 40.800 -0.173 0.000 1.161 179 D HN 0.219 nan 8.370 nan 0.000 0.478 180 T N 2.927 117.449 114.554 -0.053 0.000 2.779 180 T HA 0.288 4.638 4.350 0.000 0.000 0.280 180 T C -0.309 174.347 174.700 -0.074 0.000 0.987 180 T CA -0.517 61.553 62.100 -0.051 0.000 0.966 180 T CB 0.380 69.259 68.868 0.019 0.000 0.933 180 T HN 0.095 nan 8.240 nan 0.000 0.442 181 Y N 2.583 122.838 120.300 -0.075 0.000 2.327 181 Y HA 0.497 5.047 4.550 0.000 0.000 0.336 181 Y C 0.550 176.369 175.900 -0.135 0.000 1.035 181 Y CA -0.919 57.142 58.100 -0.064 0.000 1.165 181 Y CB 0.591 38.967 38.460 -0.140 0.000 1.181 181 Y HN 0.442 nan 8.280 nan 0.000 0.494 182 I N 5.719 126.348 120.570 0.098 0.000 2.382 182 I HA 0.330 4.500 4.170 0.000 0.000 0.286 182 I C -0.563 175.536 176.117 -0.031 0.000 1.002 182 I CA -0.404 60.866 61.300 -0.050 0.000 1.135 182 I CB 0.903 38.825 38.000 -0.131 0.000 1.288 182 I HN 0.458 nan 8.210 nan 0.000 0.448 183 L N 4.464 125.655 121.223 -0.054 0.000 2.335 183 L HA 0.572 4.912 4.340 0.000 0.000 0.268 183 L C -0.349 176.486 176.870 -0.058 0.000 1.016 183 L CA -0.914 53.898 54.840 -0.047 0.000 0.805 183 L CB 0.928 43.027 42.059 0.065 0.000 1.311 183 L HN 0.262 nan 8.230 nan 0.000 0.456 184 F N 0.441 120.457 119.950 0.109 0.000 2.496 184 F HA 0.098 4.625 4.527 0.000 0.000 0.344 184 F C 0.729 176.640 175.800 0.185 0.000 1.155 184 F CA 0.182 58.255 58.000 0.121 0.000 1.302 184 F CB 0.186 39.246 39.000 0.099 0.000 1.159 184 F HN 0.348 nan 8.300 nan 0.000 0.595 185 N N 3.092 122.024 118.700 0.387 0.000 2.696 185 N HA 0.337 5.077 4.740 0.000 0.000 0.246 185 N C -2.346 173.397 175.510 0.388 0.000 1.057 185 N CA -2.272 51.014 53.050 0.393 0.000 0.867 185 N CB 1.141 39.788 38.487 0.266 0.000 1.141 185 N HN 0.054 nan 8.380 nan 0.000 0.517 186 P HA 0.030 nan 4.420 nan 0.000 0.230 186 P C 0.738 178.053 177.300 0.025 0.000 1.158 186 P CA 0.794 63.915 63.100 0.036 0.000 0.769 186 P CB 0.131 31.630 31.700 -0.335 0.000 0.807 187 W N -2.251 119.139 121.300 0.149 0.000 3.077 187 W HA 0.199 4.859 4.660 0.000 0.000 0.266 187 W C 0.333 176.963 176.519 0.184 0.000 1.300 187 W CA -0.298 57.141 57.345 0.156 0.000 1.586 187 W CB -0.216 29.271 29.460 0.045 0.000 1.103 187 W HN -0.119 nan 8.180 nan 0.000 0.652 188 C N 2.545 122.046 119.300 0.335 0.000 2.325 188 C HA 0.192 4.653 4.460 0.000 0.000 0.347 188 C C 1.710 176.552 174.990 -0.246 0.000 1.263 188 C CA -0.124 58.930 59.018 0.061 0.000 1.806 188 C CB 0.250 28.026 27.740 0.060 0.000 2.405 188 C HN 0.326 nan 8.230 nan 0.000 0.537 189 E N 1.914 121.731 120.200 -0.638 0.000 2.204 189 E HA -0.169 4.181 4.350 0.000 0.000 0.195 189 E C 0.869 177.191 176.600 -0.464 0.000 0.990 189 E CA 1.318 57.055 56.400 -1.104 0.000 0.821 189 E CB 0.132 29.392 29.700 -0.733 0.000 0.750 189 E HN 0.745 nan 8.360 nan 0.000 0.477 190 D N 0.863 121.125 120.400 -0.230 0.000 2.349 190 D HA -0.038 4.602 4.640 0.000 0.000 0.215 190 D C 0.343 176.627 176.300 -0.027 0.000 1.016 190 D CA 0.377 54.314 54.000 -0.105 0.000 0.870 190 D CB 0.073 40.821 40.800 -0.086 0.000 0.917 190 D HN 0.056 nan 8.370 nan 0.000 0.524 191 D N 0.343 120.752 120.400 0.014 0.000 2.302 191 D HA 0.189 4.829 4.640 0.000 0.000 0.248 191 D C 1.082 177.464 176.300 0.137 0.000 1.094 191 D CA -0.265 53.800 54.000 0.107 0.000 0.897 191 D CB 1.789 42.694 40.800 0.175 0.000 1.200 191 D HN -0.075 nan 8.370 nan 0.000 0.429 192 A N 3.025 125.921 122.820 0.126 0.000 1.978 192 A HA -0.152 4.168 4.320 0.000 0.000 0.220 192 A C 1.865 179.484 177.584 0.059 0.000 1.170 192 A CA 1.802 53.883 52.037 0.074 0.000 0.636 192 A CB -0.496 18.539 19.000 0.058 0.000 0.810 192 A HN 0.575 nan 8.150 nan 0.000 0.448 193 V N -3.985 116.000 119.914 0.118 0.000 3.499 193 V HA 0.223 4.343 4.120 0.000 0.000 0.308 193 V C 0.687 176.929 176.094 0.248 0.000 1.319 193 V CA -0.608 61.763 62.300 0.119 0.000 1.194 193 V CB -1.772 30.070 31.823 0.030 0.000 1.072 193 V HN 0.385 nan 8.190 nan 0.000 0.426 194 Y N 1.760 122.131 120.300 0.118 0.000 2.721 194 Y HA 0.352 4.902 4.550 0.000 0.000 0.329 194 Y C -0.039 175.945 175.900 0.140 0.000 1.211 194 Y CA -0.576 57.577 58.100 0.089 0.000 1.512 194 Y CB 0.208 38.710 38.460 0.070 0.000 1.249 194 Y HN 0.307 nan 8.280 nan 0.000 0.549 195 L N 7.180 128.032 121.223 -0.619 0.000 2.305 195 L HA 0.209 4.549 4.340 0.000 0.000 0.284 195 L C 0.360 176.549 176.870 -1.136 0.000 1.013 195 L CA -0.669 53.655 54.840 -0.859 0.000 0.819 195 L CB 1.384 42.966 42.059 -0.795 0.000 1.227 195 L HN 0.764 nan 8.230 nan 0.000 0.417 196 D N 1.663 121.474 120.400 -0.982 0.000 2.349 196 D HA -0.060 4.580 4.640 0.000 0.000 0.224 196 D C 0.204 176.308 176.300 -0.326 0.000 1.029 196 D CA 0.205 53.798 54.000 -0.678 0.000 0.879 196 D CB 0.137 40.744 40.800 -0.322 0.000 0.906 196 D HN 0.358 nan 8.370 nan 0.000 0.528 197 N N 0.257 118.738 118.700 -0.365 0.000 2.249 197 N HA 0.052 4.792 4.740 0.000 0.000 0.296 197 N C 0.110 175.466 175.510 -0.257 0.000 1.051 197 N CA -0.281 52.627 53.050 -0.236 0.000 0.815 197 N CB 2.201 40.564 38.487 -0.207 0.000 1.487 197 N HN -0.217 nan 8.380 nan 0.000 0.475 198 E N 2.789 122.896 120.200 -0.154 0.000 2.106 198 E HA -0.076 4.274 4.350 0.000 0.000 0.192 198 E C 1.149 177.663 176.600 -0.143 0.000 0.984 198 E CA 1.709 58.035 56.400 -0.125 0.000 0.806 198 E CB 0.217 29.918 29.700 0.001 0.000 0.750 198 E HN 0.619 nan 8.360 nan 0.000 0.458 199 K N 0.004 120.322 120.400 -0.137 0.000 2.097 199 K HA -0.099 4.222 4.320 0.000 0.000 0.205 199 K C 2.083 178.533 176.600 -0.250 0.000 1.050 199 K CA 1.385 57.582 56.287 -0.150 0.000 0.938 199 K CB 0.003 32.433 32.500 -0.117 0.000 0.718 199 K HN 0.190 nan 8.250 nan 0.000 0.442 200 E N 0.140 120.169 120.200 -0.286 0.000 2.072 200 E HA -0.142 4.209 4.350 0.000 0.000 0.191 200 E C 2.039 178.412 176.600 -0.379 0.000 0.985 200 E CA 0.853 57.026 56.400 -0.378 0.000 0.801 200 E CB 0.093 29.647 29.700 -0.243 0.000 0.750 200 E HN 0.213 nan 8.360 nan 0.000 0.452 201 R N 0.830 121.094 120.500 -0.393 0.000 2.073 201 R HA -0.135 4.205 4.340 0.000 0.000 0.234 201 R C 2.275 178.423 176.300 -0.253 0.000 1.134 201 R CA 1.089 56.901 56.100 -0.479 0.000 0.952 201 R CB -0.160 29.635 30.300 -0.842 0.000 0.850 201 R HN 0.117 nan 8.270 nan 0.000 0.433 202 E N 0.676 120.777 120.200 -0.165 0.000 2.070 202 E HA -0.240 4.110 4.350 0.000 0.000 0.197 202 E C 1.915 178.470 176.600 -0.075 0.000 1.004 202 E CA 1.415 57.786 56.400 -0.048 0.000 0.805 202 E CB -0.077 29.595 29.700 -0.046 0.000 0.744 202 E HN 0.273 nan 8.360 nan 0.000 0.451 203 E N 0.102 120.164 120.200 -0.229 0.000 2.016 203 E HA -0.138 4.212 4.350 0.000 0.000 0.190 203 E C 1.783 178.303 176.600 -0.134 0.000 0.985 203 E CA 1.073 57.307 56.400 -0.277 0.000 0.802 203 E CB -0.368 28.969 29.700 -0.605 0.000 0.762 203 E HN 0.244 nan 8.360 nan 0.000 0.448 204 Y N -0.665 119.639 120.300 0.008 0.000 2.583 204 Y HA 0.098 4.648 4.550 0.000 0.000 0.293 204 Y C 1.724 177.624 175.900 0.000 0.000 1.157 204 Y CA 0.337 58.455 58.100 0.031 0.000 1.315 204 Y CB 0.099 38.610 38.460 0.084 0.000 1.021 204 Y HN -0.017 nan 8.280 nan 0.000 0.536 205 V N -2.025 117.956 119.914 0.111 0.000 3.161 205 V HA -0.013 4.107 4.120 0.000 0.000 0.221 205 V C 1.784 178.017 176.094 0.232 0.000 1.296 205 V CA 0.221 62.599 62.300 0.129 0.000 1.306 205 V CB -0.310 31.566 31.823 0.089 0.000 1.171 205 V HN 0.086 nan 8.190 nan 0.000 0.513 206 L N 0.633 122.020 121.223 0.273 0.000 2.240 206 L HA 0.106 4.446 4.340 0.000 0.000 0.211 206 L C 1.103 178.192 176.870 0.366 0.000 1.106 206 L CA 0.557 55.633 54.840 0.393 0.000 0.793 206 L CB -0.271 41.958 42.059 0.283 0.000 0.927 206 L HN 0.323 nan 8.230 nan 0.000 0.446 207 N N 1.458 120.288 118.700 0.217 0.000 2.475 207 N HA -0.055 4.686 4.740 0.000 0.000 0.267 207 N C 0.078 175.738 175.510 0.250 0.000 1.169 207 N CA 0.077 53.239 53.050 0.185 0.000 0.947 207 N CB 0.898 39.448 38.487 0.105 0.000 1.061 207 N HN 0.151 nan 8.380 nan 0.000 0.466 208 D N 3.038 123.576 120.400 0.229 0.000 2.368 208 D HA 0.130 4.770 4.640 0.000 0.000 0.218 208 D C 0.197 176.550 176.300 0.089 0.000 1.112 208 D CA 0.101 54.222 54.000 0.202 0.000 0.834 208 D CB -0.021 40.891 40.800 0.187 0.000 0.953 208 D HN 0.388 nan 8.370 nan 0.000 0.505 209 I N -0.135 120.436 120.570 0.003 0.000 2.608 209 I HA 0.643 4.813 4.170 0.000 0.000 0.295 209 I C 0.277 176.226 176.117 -0.279 0.000 1.049 209 I CA -1.005 60.168 61.300 -0.212 0.000 1.063 209 I CB 2.525 40.425 38.000 -0.166 0.000 1.248 209 I HN -0.013 nan 8.210 nan 0.000 0.424 210 G N 3.621 112.112 108.800 -0.515 0.000 2.680 210 G HA2 0.718 4.678 3.960 0.000 0.000 0.290 210 G HA3 0.718 4.678 3.960 0.000 0.000 0.290 210 G C -1.745 173.020 174.900 -0.224 0.000 1.355 210 G CA -0.528 44.382 45.100 -0.317 0.000 0.903 210 G HN 0.307 nan 8.290 nan 0.000 0.474 211 V N 0.659 120.463 119.914 -0.183 0.000 2.495 211 V HA 0.502 4.623 4.120 0.000 0.000 0.298 211 V C -0.386 175.437 176.094 -0.452 0.000 1.031 211 V CA -0.546 61.544 62.300 -0.351 0.000 0.871 211 V CB 1.570 33.121 31.823 -0.455 0.000 0.988 211 V HN 0.576 nan 8.190 nan 0.000 0.432 212 I N 4.774 125.057 120.570 -0.479 0.000 2.355 212 I HA 0.433 4.604 4.170 0.000 0.000 0.288 212 I C -0.891 174.942 176.117 -0.473 0.000 0.999 212 I CA -0.254 60.806 61.300 -0.400 0.000 1.163 212 I CB 1.340 39.160 38.000 -0.299 0.000 1.316 212 I HN 0.421 nan 8.210 nan 0.000 0.454 213 F N 7.046 126.934 119.950 -0.103 0.000 2.410 213 F HA 0.373 4.900 4.527 0.000 0.000 0.348 213 F C 0.298 175.974 175.800 -0.206 0.000 1.106 213 F CA -0.169 57.773 58.000 -0.098 0.000 1.163 213 F CB 0.464 39.429 39.000 -0.059 0.000 1.129 213 F HN 0.394 nan 8.300 nan 0.000 0.516 214 Y N 0.292 120.403 120.300 -0.315 0.000 3.320 214 Y HA 0.900 5.450 4.550 0.000 0.000 0.276 214 Y C 0.732 176.428 175.900 -0.341 0.000 2.015 214 Y CA -1.213 56.373 58.100 -0.857 0.000 0.982 214 Y CB 0.010 37.749 38.460 -1.201 0.000 1.555 214 Y HN 0.844 nan 8.280 nan 0.000 0.545 215 G N 1.015 109.571 108.800 -0.407 0.000 2.527 215 G HA2 0.069 4.029 3.960 0.000 0.000 0.262 215 G HA3 0.069 4.029 3.960 0.000 0.000 0.262 215 G C -0.774 174.193 174.900 0.111 0.000 1.153 215 G CA 0.648 45.641 45.100 -0.179 0.000 0.954 215 G HN 1.386 nan 8.290 nan 0.000 0.552 216 E N -1.953 118.237 120.200 -0.017 0.000 2.412 216 E HA 0.665 5.015 4.350 0.000 0.000 0.279 216 E C 0.559 176.884 176.600 -0.459 0.000 0.984 216 E CA -0.144 56.214 56.400 -0.070 0.000 0.788 216 E CB 1.336 31.025 29.700 -0.018 0.000 1.277 216 E HN 1.357 nan 8.360 nan 0.000 0.455 217 V N 0.901 120.416 119.914 -0.665 0.000 2.527 217 V HA -0.244 3.876 4.120 0.000 0.000 0.255 217 V C 0.427 176.233 176.094 -0.481 0.000 1.081 217 V CA 2.357 64.179 62.300 -0.797 0.000 1.092 217 V CB -0.543 30.948 31.823 -0.553 0.000 0.673 217 V HN 0.663 nan 8.190 nan 0.000 0.470 218 N N -0.121 118.401 118.700 -0.297 0.000 2.270 218 N HA 0.100 4.840 4.740 0.000 0.000 0.198 218 N C -0.132 175.261 175.510 -0.195 0.000 1.117 218 N CA 0.467 53.394 53.050 -0.204 0.000 0.845 218 N CB 0.560 38.971 38.487 -0.126 0.000 0.980 218 N HN 0.543 nan 8.380 nan 0.000 0.486 219 D N 0.580 120.837 120.400 -0.239 0.000 2.934 219 D HA 0.197 4.837 4.640 0.000 0.000 0.249 219 D C -0.807 175.339 176.300 -0.257 0.000 1.293 219 D CA -0.287 53.590 54.000 -0.205 0.000 0.812 219 D CB -0.047 40.659 40.800 -0.158 0.000 1.439 219 D HN -0.043 nan 8.370 nan 0.000 0.555 220 I N 2.726 123.126 120.570 -0.283 0.000 2.494 220 I HA 0.052 4.222 4.170 0.000 0.000 0.289 220 I C 0.726 176.707 176.117 -0.227 0.000 1.106 220 I CA 0.064 61.204 61.300 -0.267 0.000 1.369 220 I CB 0.275 38.124 38.000 -0.252 0.000 1.410 220 I HN -0.113 nan 8.210 nan 0.000 0.523 221 K N 4.855 125.014 120.400 -0.403 0.000 2.098 221 K HA 0.592 4.912 4.320 0.000 0.000 0.258 221 K C 0.045 176.364 176.600 -0.469 0.000 0.973 221 K CA -0.486 55.444 56.287 -0.595 0.000 0.898 221 K CB 1.836 33.588 32.500 -1.246 0.000 1.057 221 K HN 0.684 nan 8.250 nan 0.000 0.447 222 T N -0.988 113.417 114.554 -0.248 0.000 2.903 222 T HA 0.820 5.170 4.350 0.000 0.000 0.299 222 T C -0.771 173.904 174.700 -0.042 0.000 1.093 222 T CA -1.037 60.968 62.100 -0.157 0.000 1.002 222 T CB 2.114 70.859 68.868 -0.207 0.000 1.127 222 T HN 0.646 nan 8.240 nan 0.000 0.488 223 R N 0.025 120.432 120.500 -0.155 0.000 2.710 223 R HA 0.782 5.122 4.340 0.000 0.000 0.270 223 R C -1.367 174.777 176.300 -0.259 0.000 1.021 223 R CA -0.728 55.236 56.100 -0.228 0.000 0.889 223 R CB 0.944 30.931 30.300 -0.521 0.000 1.243 223 R HN 0.540 nan 8.270 nan 0.000 0.464 224 S N 1.077 116.658 115.700 -0.198 0.000 2.578 224 S HA 0.535 5.006 4.470 0.000 0.000 0.283 224 S C -1.525 173.031 174.600 -0.074 0.000 1.195 224 S CA -0.598 57.513 58.200 -0.149 0.000 1.050 224 S CB 0.542 63.666 63.200 -0.126 0.000 1.012 224 S HN 0.472 nan 8.310 nan 0.000 0.511 225 W N 2.195 123.301 121.300 -0.323 0.000 2.785 225 W HA 0.429 5.089 4.660 0.000 0.000 0.333 225 W C -0.616 175.668 176.519 -0.393 0.000 1.062 225 W CA -0.622 56.541 57.345 -0.303 0.000 1.233 225 W CB 1.850 31.143 29.460 -0.278 0.000 1.413 225 W HN 0.554 nan 8.180 nan 0.000 0.489 226 S N 4.518 119.838 115.700 -0.633 0.000 2.416 226 S HA 0.153 4.624 4.470 0.000 0.000 0.287 226 S C 0.461 174.906 174.600 -0.257 0.000 1.139 226 S CA -0.242 57.709 58.200 -0.415 0.000 1.058 226 S CB 0.265 63.273 63.200 -0.320 0.000 0.967 226 S HN 0.421 nan 8.310 nan 0.000 0.495 227 Y N 3.892 124.225 120.300 0.055 0.000 2.220 227 Y HA 0.161 4.711 4.550 0.000 0.000 0.291 227 Y C 2.295 178.194 175.900 -0.002 0.000 1.129 227 Y CA 0.345 58.513 58.100 0.113 0.000 1.161 227 Y CB -0.942 37.570 38.460 0.086 0.000 0.997 227 Y HN 0.909 nan 8.280 nan 0.000 0.522 228 G N 1.321 110.184 108.800 0.105 0.000 2.379 228 G HA2 -0.355 3.605 3.960 0.000 0.000 0.297 228 G HA3 -0.355 3.605 3.960 0.000 0.000 0.297 228 G C 1.216 176.098 174.900 -0.029 0.000 1.004 228 G CA 0.746 45.871 45.100 0.041 0.000 0.921 228 G HN 0.532 nan 8.290 nan 0.000 0.511 229 Q N -0.966 118.708 119.800 -0.211 0.000 2.364 229 Q HA -0.050 4.291 4.340 0.000 0.000 0.209 229 Q C 1.571 177.290 176.000 -0.468 0.000 0.977 229 Q CA 1.460 57.035 55.803 -0.379 0.000 0.885 229 Q CB -0.298 28.100 28.738 -0.567 0.000 0.941 229 Q HN 0.621 nan 8.270 nan 0.000 0.464 230 F N 1.436 121.335 119.950 -0.085 0.000 2.727 230 F HA 0.294 4.821 4.527 0.000 0.000 0.302 230 F C 0.756 176.591 175.800 0.057 0.000 1.097 230 F CA -0.543 57.361 58.000 -0.160 0.000 1.330 230 F CB 0.159 39.014 39.000 -0.241 0.000 1.084 230 F HN -0.120 nan 8.300 nan 0.000 0.578 231 E N 0.947 121.276 120.200 0.215 0.000 2.392 231 E HA -0.046 4.304 4.350 0.000 0.000 0.259 231 E C -0.436 176.269 176.600 0.176 0.000 1.108 231 E CA -0.199 56.340 56.400 0.232 0.000 0.916 231 E CB 0.475 30.299 29.700 0.207 0.000 0.989 231 E HN 0.058 nan 8.360 nan 0.000 0.432 232 D N -0.488 119.992 120.400 0.133 0.000 2.434 232 D HA 0.183 4.823 4.640 0.000 0.000 0.252 232 D C 1.021 177.361 176.300 0.068 0.000 1.185 232 D CA 1.533 55.577 54.000 0.073 0.000 0.886 232 D CB 0.091 40.892 40.800 0.001 0.000 1.148 232 D HN 0.545 nan 8.370 nan 0.000 0.483 233 G N 3.781 112.621 108.800 0.066 0.000 2.258 233 G HA2 -0.279 3.681 3.960 0.000 0.000 0.233 233 G HA3 -0.279 3.681 3.960 0.000 0.000 0.233 233 G C 1.130 176.078 174.900 0.081 0.000 1.006 233 G CA 0.229 45.364 45.100 0.058 0.000 0.620 233 G HN 0.484 nan 8.290 nan 0.000 0.511 234 I N 0.817 121.448 120.570 0.101 0.000 2.142 234 I HA -0.038 4.132 4.170 0.000 0.000 0.240 234 I C 2.754 178.944 176.117 0.121 0.000 1.078 234 I CA 1.892 63.261 61.300 0.115 0.000 1.343 234 I CB -1.346 36.717 38.000 0.104 0.000 1.046 234 I HN 0.353 nan 8.210 nan 0.000 0.405 235 L N 1.253 122.540 121.223 0.106 0.000 2.079 235 L HA -0.220 4.120 4.340 0.000 0.000 0.210 235 L C 2.011 178.926 176.870 0.075 0.000 1.081 235 L CA 1.997 56.865 54.840 0.047 0.000 0.752 235 L CB -0.872 41.109 42.059 -0.130 0.000 0.896 235 L HN 0.206 nan 8.230 nan 0.000 0.433 236 D N -1.214 119.245 120.400 0.098 0.000 2.183 236 D HA -0.125 4.515 4.640 0.000 0.000 0.203 236 D C 1.991 178.402 176.300 0.185 0.000 0.969 236 D CA 1.705 55.800 54.000 0.157 0.000 0.842 236 D CB -0.032 40.846 40.800 0.129 0.000 0.957 236 D HN 0.409 nan 8.370 nan 0.000 0.484 237 T N 0.229 114.888 114.554 0.176 0.000 2.867 237 T HA -0.110 4.240 4.350 0.000 0.000 0.268 237 T C 2.238 177.160 174.700 0.370 0.000 1.057 237 T CA 0.593 62.846 62.100 0.256 0.000 1.136 237 T CB -0.315 68.685 68.868 0.220 0.000 0.874 237 T HN 0.229 nan 8.240 nan 0.000 0.466 238 C N 1.135 120.614 119.300 0.299 0.000 2.425 238 C HA 0.071 4.531 4.460 0.000 0.000 0.277 238 C C 2.662 177.859 174.990 0.345 0.000 1.280 238 C CA 0.337 59.566 59.018 0.351 0.000 1.744 238 C CB -1.346 26.466 27.740 0.120 0.000 1.989 238 C HN 0.528 nan 8.230 nan 0.000 0.491 239 L N -0.611 120.766 121.223 0.256 0.000 2.093 239 L HA -0.150 4.190 4.340 0.000 0.000 0.208 239 L C 2.523 179.549 176.870 0.260 0.000 1.085 239 L CA 1.615 56.590 54.840 0.225 0.000 0.755 239 L CB -0.873 41.298 42.059 0.187 0.000 0.904 239 L HN 0.376 nan 8.230 nan 0.000 0.435 240 Y N 0.573 120.970 120.300 0.162 0.000 2.224 240 Y HA -0.211 4.340 4.550 0.000 0.000 0.289 240 Y C 2.373 178.388 175.900 0.192 0.000 1.146 240 Y CA 1.360 59.543 58.100 0.138 0.000 1.182 240 Y CB -0.278 38.245 38.460 0.104 0.000 0.983 240 Y HN -0.172 nan 8.280 nan 0.000 0.524 241 V N 0.738 120.820 119.914 0.281 0.000 2.287 241 V HA -0.403 3.718 4.120 0.000 0.000 0.248 241 V C 2.406 178.552 176.094 0.086 0.000 1.053 241 V CA 2.505 64.924 62.300 0.198 0.000 1.027 241 V CB -0.639 31.344 31.823 0.267 0.000 0.646 241 V HN 0.492 nan 8.190 nan 0.000 0.447 242 M N -0.583 119.127 119.600 0.182 0.000 2.213 242 M HA -0.170 4.311 4.480 0.000 0.000 0.263 242 M C 1.838 178.163 176.300 0.040 0.000 1.062 242 M CA 1.620 57.000 55.300 0.134 0.000 1.105 242 M CB -0.577 32.143 32.600 0.201 0.000 1.385 242 M HN 0.345 nan 8.290 nan 0.000 0.417 243 D N -0.049 120.351 120.400 0.000 0.000 2.123 243 D HA -0.070 4.570 4.640 0.000 0.000 0.200 243 D C 2.133 178.364 176.300 -0.115 0.000 0.976 243 D CA 0.882 54.856 54.000 -0.044 0.000 0.831 243 D CB -0.229 40.555 40.800 -0.027 0.000 0.974 243 D HN 0.120 nan 8.370 nan 0.000 0.469 244 R N 0.803 121.161 120.500 -0.237 0.000 2.120 244 R HA 0.034 4.374 4.340 0.000 0.000 0.234 244 R C 1.857 178.101 176.300 -0.093 0.000 1.123 244 R CA 0.823 56.790 56.100 -0.222 0.000 0.975 244 R CB -0.778 29.347 30.300 -0.292 0.000 0.866 244 R HN 0.126 nan 8.270 nan 0.000 0.446 245 A N 0.469 123.251 122.820 -0.063 0.000 2.235 245 A HA -0.039 4.281 4.320 0.000 0.000 0.208 245 A C 0.467 178.034 177.584 -0.029 0.000 1.172 245 A CA 0.103 52.116 52.037 -0.041 0.000 0.786 245 A CB -0.101 18.878 19.000 -0.035 0.000 0.804 245 A HN 0.403 nan 8.150 nan 0.000 0.479 246 Q N -1.945 117.840 119.800 -0.026 0.000 2.475 246 Q HA -0.203 4.137 4.340 0.000 0.000 0.280 246 Q C 0.017 176.017 176.000 0.000 0.000 1.234 246 Q CA 0.751 56.547 55.803 -0.012 0.000 0.873 246 Q CB -1.584 27.146 28.738 -0.014 0.000 1.256 246 Q HN 0.807 nan 8.270 nan 0.000 0.475 247 M N 1.507 121.114 119.600 0.012 0.000 2.227 247 M HA 0.059 4.539 4.480 0.000 0.000 0.349 247 M C 0.162 176.482 176.300 0.033 0.000 1.443 247 M CA -0.047 55.270 55.300 0.027 0.000 1.110 247 M CB 0.448 33.081 32.600 0.054 0.000 1.773 247 M HN 0.096 nan 8.290 nan 0.000 0.463 248 D N 4.101 124.519 120.400 0.030 0.000 2.531 248 D HA -0.065 4.575 4.640 0.000 0.000 0.239 248 D C 0.891 177.217 176.300 0.043 0.000 1.144 248 D CA 0.406 54.426 54.000 0.034 0.000 0.869 248 D CB 0.592 41.411 40.800 0.031 0.000 1.160 248 D HN 0.694 nan 8.370 nan 0.000 0.484 249 L N 2.824 124.069 121.223 0.037 0.000 2.127 249 L HA -0.193 4.148 4.340 0.000 0.000 0.211 249 L C 2.299 179.199 176.870 0.050 0.000 1.089 249 L CA 0.951 55.807 54.840 0.027 0.000 0.757 249 L CB -0.327 41.731 42.059 -0.002 0.000 0.899 249 L HN 0.393 nan 8.230 nan 0.000 0.434 250 S N -0.401 115.335 115.700 0.061 0.000 2.507 250 S HA -0.063 4.407 4.470 0.000 0.000 0.235 250 S C 1.714 176.364 174.600 0.084 0.000 0.988 250 S CA 1.011 59.257 58.200 0.077 0.000 0.944 250 S CB -0.106 63.136 63.200 0.071 0.000 0.762 250 S HN 0.624 nan 8.310 nan 0.000 0.526 251 G N 0.588 109.436 108.800 0.080 0.000 3.126 251 G HA2 0.056 4.017 3.960 0.000 0.000 0.224 251 G HA3 0.056 4.017 3.960 0.000 0.000 0.224 251 G C 1.072 176.048 174.900 0.126 0.000 1.142 251 G CA -0.449 44.707 45.100 0.094 0.000 0.759 251 G HN 0.359 nan 8.290 nan 0.000 0.550 252 R N 0.481 121.053 120.500 0.120 0.000 2.323 252 R HA 0.067 4.407 4.340 0.000 0.000 0.198 252 R C 2.006 178.402 176.300 0.161 0.000 0.988 252 R CA 0.516 56.706 56.100 0.150 0.000 1.041 252 R CB 0.260 30.622 30.300 0.104 0.000 0.926 252 R HN 0.240 nan 8.270 nan 0.000 0.476 253 G N 0.373 109.263 108.800 0.150 0.000 3.126 253 G HA2 -0.093 3.867 3.960 0.000 0.000 0.224 253 G HA3 -0.093 3.867 3.960 0.000 0.000 0.224 253 G C 0.027 175.109 174.900 0.305 0.000 1.142 253 G CA -0.300 44.879 45.100 0.131 0.000 0.759 253 G HN 0.075 nan 8.290 nan 0.000 0.550 254 N N 1.051 119.926 118.700 0.291 0.000 2.501 254 N HA 0.276 5.017 4.740 0.000 0.000 0.245 254 N C -1.264 174.380 175.510 0.224 0.000 0.974 254 N CA -2.439 50.751 53.050 0.233 0.000 0.941 254 N CB 2.602 41.178 38.487 0.148 0.000 1.122 254 N HN -0.129 nan 8.380 nan 0.000 0.507 255 P HA -0.128 nan 4.420 nan 0.000 0.219 255 P C 1.406 178.694 177.300 -0.019 0.000 1.146 255 P CA 1.059 64.093 63.100 -0.110 0.000 0.808 255 P CB 0.633 32.154 31.700 -0.298 0.000 0.779 256 I N 0.129 120.715 120.570 0.026 0.000 2.163 256 I HA -0.194 3.976 4.170 0.000 0.000 0.240 256 I C 2.812 178.932 176.117 0.005 0.000 1.081 256 I CA 1.505 62.827 61.300 0.035 0.000 1.353 256 I CB -0.573 37.479 38.000 0.086 0.000 1.054 256 I HN -0.073 nan 8.210 nan 0.000 0.407 257 K N 0.897 121.318 120.400 0.035 0.000 2.097 257 K HA -0.121 4.199 4.320 0.000 0.000 0.205 257 K C 2.065 178.700 176.600 0.059 0.000 1.050 257 K CA 1.052 57.348 56.287 0.015 0.000 0.938 257 K CB 0.088 32.616 32.500 0.047 0.000 0.718 257 K HN 0.067 nan 8.250 nan 0.000 0.442 258 V N 0.720 120.715 119.914 0.135 0.000 2.343 258 V HA -0.238 3.882 4.120 0.000 0.000 0.247 258 V C 2.112 178.366 176.094 0.266 0.000 1.051 258 V CA 2.081 64.520 62.300 0.232 0.000 1.036 258 V CB -0.300 31.695 31.823 0.286 0.000 0.654 258 V HN 0.340 nan 8.190 nan 0.000 0.451 259 S N -0.498 115.321 115.700 0.198 0.000 2.368 259 S HA -0.204 4.266 4.470 0.000 0.000 0.224 259 S C 2.093 176.760 174.600 0.111 0.000 1.029 259 S CA 1.605 59.974 58.200 0.282 0.000 0.988 259 S CB -0.334 62.983 63.200 0.196 0.000 0.838 259 S HN 0.468 nan 8.310 nan 0.000 0.462 260 R N 1.387 121.855 120.500 -0.054 0.000 2.070 260 R HA -0.024 4.317 4.340 0.000 0.000 0.233 260 R C 2.016 178.208 176.300 -0.180 0.000 1.137 260 R CA 1.603 57.573 56.100 -0.217 0.000 0.945 260 R CB -0.940 29.142 30.300 -0.363 0.000 0.845 260 R HN 0.275 nan 8.270 nan 0.000 0.430 261 V N -0.302 119.552 119.914 -0.099 0.000 2.407 261 V HA -0.008 4.112 4.120 0.000 0.000 0.245 261 V C 2.227 178.254 176.094 -0.112 0.000 1.041 261 V CA 1.867 64.111 62.300 -0.093 0.000 1.040 261 V CB -0.839 30.967 31.823 -0.028 0.000 0.671 261 V HN 0.625 nan 8.190 nan 0.000 0.455 262 G N 0.614 109.386 108.800 -0.047 0.000 2.418 262 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 262 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 262 G C 1.863 176.535 174.900 -0.380 0.000 1.158 262 G CA 1.327 46.296 45.100 -0.219 0.000 0.771 262 G HN 0.628 nan 8.290 nan 0.000 0.545 263 S N 1.218 116.623 115.700 -0.491 0.000 2.402 263 S HA 0.152 4.622 4.470 0.000 0.000 0.229 263 S C 2.549 176.834 174.600 -0.525 0.000 1.021 263 S CA 1.337 58.981 58.200 -0.927 0.000 0.974 263 S CB -0.406 62.252 63.200 -0.904 0.000 0.800 263 S HN 0.565 nan 8.310 nan 0.000 0.484 264 A N 1.563 124.176 122.820 -0.344 0.000 2.067 264 A HA 0.159 4.479 4.320 0.000 0.000 0.219 264 A C 2.170 179.620 177.584 -0.224 0.000 1.158 264 A CA 1.268 53.164 52.037 -0.235 0.000 0.661 264 A CB -0.557 18.326 19.000 -0.196 0.000 0.801 264 A HN 0.496 nan 8.150 nan 0.000 0.452 265 M N -0.651 118.789 119.600 -0.267 0.000 2.506 265 M HA 0.017 4.498 4.480 0.000 0.000 0.260 265 M C 1.928 178.045 176.300 -0.304 0.000 1.104 265 M CA 0.646 55.799 55.300 -0.245 0.000 1.112 265 M CB -0.599 31.860 32.600 -0.235 0.000 1.401 265 M HN 0.252 nan 8.290 nan 0.000 0.473 266 V N 0.825 120.515 119.914 -0.372 0.000 2.261 266 V HA -0.199 3.921 4.120 0.000 0.000 0.246 266 V C 1.081 176.899 176.094 -0.460 0.000 1.047 266 V CA 1.304 63.370 62.300 -0.390 0.000 1.015 266 V CB -0.801 30.779 31.823 -0.406 0.000 0.642 266 V HN 0.488 nan 8.190 nan 0.000 0.446 267 N N 0.716 119.087 118.700 -0.548 0.000 2.420 267 N HA 0.422 5.162 4.740 0.000 0.000 0.249 267 N C -0.314 175.053 175.510 -0.239 0.000 1.033 267 N CA 0.139 52.863 53.050 -0.542 0.000 0.944 267 N CB 0.963 39.064 38.487 -0.644 0.000 1.113 267 N HN 0.397 nan 8.380 nan 0.000 0.502 268 A N 3.563 126.300 122.820 -0.139 0.000 2.451 268 A HA 0.246 4.566 4.320 0.000 0.000 0.266 268 A C -0.242 177.337 177.584 -0.009 0.000 1.119 268 A CA -0.002 52.003 52.037 -0.053 0.000 0.786 268 A CB 0.053 19.049 19.000 -0.005 0.000 1.061 268 A HN 0.703 nan 8.150 nan 0.000 0.503 269 K N 3.369 123.763 120.400 -0.009 0.000 2.293 269 K HA 0.467 4.788 4.320 0.000 0.000 0.267 269 K C -0.073 176.540 176.600 0.021 0.000 1.010 269 K CA -0.391 55.898 56.287 0.004 0.000 0.875 269 K CB 0.932 33.425 32.500 -0.011 0.000 1.106 269 K HN 0.772 nan 8.250 nan 0.000 0.450 270 D N 1.145 121.567 120.400 0.036 0.000 4.235 270 D HA -0.227 4.413 4.640 0.000 0.000 0.139 270 D C 0.014 176.345 176.300 0.052 0.000 0.834 270 D CA 1.194 55.219 54.000 0.043 0.000 1.081 270 D CB -0.380 40.439 40.800 0.032 0.000 0.567 270 D HN 0.651 nan 8.370 nan 0.000 0.575 271 D N 1.427 121.856 120.400 0.048 0.000 2.369 271 D HA 0.056 4.697 4.640 0.000 0.000 0.211 271 D C -0.034 176.307 176.300 0.068 0.000 1.077 271 D CA 0.437 54.472 54.000 0.058 0.000 0.842 271 D CB 0.389 41.219 40.800 0.051 0.000 0.947 271 D HN 0.122 nan 8.370 nan 0.000 0.509 272 E N 0.682 120.911 120.200 0.049 0.000 2.151 272 E HA 0.570 4.920 4.350 0.000 0.000 0.275 272 E C 0.528 177.138 176.600 0.018 0.000 0.936 272 E CA -0.343 56.084 56.400 0.045 0.000 0.777 272 E CB 2.022 31.734 29.700 0.020 0.000 1.108 272 E HN 0.139 nan 8.360 nan 0.000 0.401 273 G N 0.544 109.356 108.800 0.020 0.000 2.406 273 G HA2 -0.131 3.829 3.960 0.000 0.000 0.680 273 G HA3 -0.131 3.829 3.960 0.000 0.000 0.680 273 G C 0.399 175.170 174.900 -0.216 0.000 1.338 273 G CA -0.456 44.580 45.100 -0.107 0.000 0.941 273 G HN 0.226 nan 8.290 nan 0.000 0.633 274 V N 0.175 119.819 119.914 -0.450 0.000 2.283 274 V HA 0.203 4.323 4.120 0.000 0.000 0.243 274 V C 1.453 177.389 176.094 -0.264 0.000 1.039 274 V CA 1.620 63.521 62.300 -0.665 0.000 1.016 274 V CB -0.603 30.828 31.823 -0.653 0.000 0.650 274 V HN 0.538 nan 8.190 nan 0.000 0.449 275 L N -0.225 120.916 121.223 -0.137 0.000 2.346 275 L HA 0.491 4.831 4.340 0.000 0.000 0.276 275 L C -0.873 176.064 176.870 0.112 0.000 1.006 275 L CA -0.530 54.330 54.840 0.032 0.000 0.817 275 L CB 2.345 44.521 42.059 0.195 0.000 1.272 275 L HN -0.097 nan 8.230 nan 0.000 0.421 276 V N 2.245 122.257 119.914 0.164 0.000 2.385 276 V HA 0.352 4.472 4.120 0.000 0.000 0.269 276 V C 0.800 177.128 176.094 0.389 0.000 1.043 276 V CA -0.439 62.006 62.300 0.242 0.000 0.906 276 V CB 1.097 33.058 31.823 0.229 0.000 0.995 276 V HN 0.860 nan 8.190 nan 0.000 0.467 277 G N 3.362 112.412 108.800 0.416 0.000 2.432 277 G HA2 0.487 4.447 3.960 0.000 0.000 0.257 277 G HA3 0.487 4.447 3.960 0.000 0.000 0.257 277 G C -0.238 174.864 174.900 0.336 0.000 1.238 277 G CA -0.086 45.262 45.100 0.414 0.000 0.838 277 G HN 0.796 nan 8.290 nan 0.000 0.547 278 S N 1.306 117.028 115.700 0.038 0.000 2.543 278 S HA 0.493 4.963 4.470 0.000 0.000 0.273 278 S C -1.113 173.568 174.600 0.135 0.000 1.152 278 S CA -0.765 57.526 58.200 0.152 0.000 0.910 278 S CB 0.837 63.938 63.200 -0.166 0.000 1.105 278 S HN 0.664 nan 8.310 nan 0.000 0.465 279 W N 3.556 124.887 121.300 0.052 0.000 1.894 279 W HA 0.189 4.849 4.660 0.000 0.000 0.342 279 W C 0.229 176.539 176.519 -0.348 0.000 0.861 279 W CA -0.385 56.941 57.345 -0.031 0.000 2.584 279 W CB 0.657 29.928 29.460 -0.315 0.000 1.373 279 W HN 0.891 nan 8.180 nan 0.000 0.599 280 D N -1.213 119.094 120.400 -0.156 0.000 2.339 280 D HA -0.066 4.574 4.640 0.000 0.000 0.217 280 D C 0.915 177.005 176.300 -0.349 0.000 1.050 280 D CA 0.030 53.836 54.000 -0.323 0.000 0.856 280 D CB -0.101 40.511 40.800 -0.312 0.000 0.922 280 D HN 0.130 nan 8.370 nan 0.000 0.518 281 N N -1.200 117.304 118.700 -0.327 0.000 2.900 281 N HA -0.229 4.511 4.740 0.000 0.000 0.240 281 N C 0.332 175.623 175.510 -0.365 0.000 0.953 281 N CA 1.573 54.570 53.050 -0.089 0.000 0.950 281 N CB -1.241 37.366 38.487 0.200 0.000 1.102 281 N HN 0.447 nan 8.380 nan 0.000 0.593 282 I N -2.465 117.657 120.570 -0.748 0.000 3.196 282 I HA 0.046 4.216 4.170 0.000 0.000 0.248 282 I C 0.127 176.016 176.117 -0.379 0.000 1.105 282 I CA 0.434 61.478 61.300 -0.426 0.000 1.482 282 I CB 0.002 37.828 38.000 -0.291 0.000 1.400 282 I HN 0.097 nan 8.210 nan 0.000 0.464 283 Y N 0.913 121.139 120.300 -0.124 0.000 3.305 283 Y HA -0.147 4.403 4.550 0.000 0.000 0.209 283 Y C 0.457 176.413 175.900 0.093 0.000 1.354 283 Y CA -0.210 57.817 58.100 -0.122 0.000 1.392 283 Y CB -2.555 35.906 38.460 0.002 0.000 1.446 283 Y HN 0.237 nan 8.280 nan 0.000 0.553 284 A N -0.625 122.212 122.820 0.028 0.000 2.462 284 A HA 0.466 4.786 4.320 0.000 0.000 0.243 284 A C 0.390 178.038 177.584 0.107 0.000 1.076 284 A CA 0.369 52.344 52.037 -0.103 0.000 0.773 284 A CB -0.099 18.639 19.000 -0.437 0.000 1.010 284 A HN 0.811 nan 8.150 nan 0.000 0.493 285 Y N -1.112 119.309 120.300 0.202 0.000 4.366 285 Y HA -0.163 4.388 4.550 0.000 0.000 0.236 285 Y C 0.909 176.875 175.900 0.111 0.000 1.142 285 Y CA 1.058 59.250 58.100 0.153 0.000 2.024 285 Y CB -1.748 36.800 38.460 0.148 0.000 1.621 285 Y HN 1.538 nan 8.280 nan 0.000 0.694 286 G N -1.981 106.987 108.800 0.279 0.000 2.561 286 G HA2 0.621 4.582 3.960 0.000 0.000 0.310 286 G HA3 0.621 4.582 3.960 0.000 0.000 0.310 286 G C -1.581 173.352 174.900 0.055 0.000 1.292 286 G CA -0.215 44.920 45.100 0.058 0.000 0.811 286 G HN 0.151 nan 8.290 nan 0.000 0.482 287 V N 1.741 121.616 119.914 -0.064 0.000 2.435 287 V HA 0.457 4.577 4.120 0.000 0.000 0.290 287 V C -2.144 173.773 176.094 -0.294 0.000 1.030 287 V CA -1.431 60.673 62.300 -0.327 0.000 0.881 287 V CB 1.941 33.268 31.823 -0.827 0.000 0.983 287 V HN 0.494 nan 8.190 nan 0.000 0.445 288 P HA 0.151 nan 4.420 nan 0.000 0.268 288 P C -2.098 174.864 177.300 -0.564 0.000 1.204 288 P CA -1.023 61.745 63.100 -0.553 0.000 0.768 288 P CB 0.267 31.797 31.700 -0.284 0.000 0.842 289 P HA -0.184 nan 4.420 nan 0.000 0.218 289 P C 1.177 178.528 177.300 0.085 0.000 1.146 289 P CA 1.697 64.657 63.100 -0.234 0.000 0.820 289 P CB -0.084 31.331 31.700 -0.475 0.000 0.778 290 S N -1.096 114.668 115.700 0.106 0.000 2.428 290 S HA -0.028 4.442 4.470 0.000 0.000 0.230 290 S C 1.958 176.591 174.600 0.055 0.000 1.014 290 S CA 1.004 59.375 58.200 0.285 0.000 0.957 290 S CB -0.708 62.639 63.200 0.244 0.000 0.784 290 S HN 0.153 nan 8.310 nan 0.000 0.499 291 A N 0.740 123.403 122.820 -0.263 0.000 1.969 291 A HA 0.001 4.321 4.320 0.000 0.000 0.218 291 A C 0.504 177.792 177.584 -0.494 0.000 1.169 291 A CA 0.173 51.886 52.037 -0.541 0.000 0.635 291 A CB -0.644 17.864 19.000 -0.820 0.000 0.810 291 A HN 0.577 nan 8.150 nan 0.000 0.445 292 W N 0.605 121.830 121.300 -0.124 0.000 2.257 292 W HA 0.190 4.851 4.660 0.000 0.000 0.337 292 W C 1.416 177.847 176.519 -0.146 0.000 1.321 292 W CA 0.473 57.756 57.345 -0.104 0.000 1.267 292 W CB 0.389 29.870 29.460 0.034 0.000 1.187 292 W HN 0.283 nan 8.180 nan 0.000 0.565 293 T N -0.131 114.401 114.554 -0.038 0.000 3.001 293 T HA 0.506 4.857 4.350 0.000 0.000 0.251 293 T C 0.592 174.815 174.700 -0.795 0.000 1.040 293 T CA 0.314 62.271 62.100 -0.239 0.000 0.985 293 T CB 0.353 69.189 68.868 -0.055 0.000 1.011 293 T HN 0.644 nan 8.240 nan 0.000 0.509 294 G N 0.199 108.296 108.800 -1.172 0.000 2.428 294 G HA2 0.432 4.393 3.960 0.000 0.000 0.304 294 G HA3 0.432 4.393 3.960 0.000 0.000 0.304 294 G C 0.023 174.379 174.900 -0.907 0.000 1.303 294 G CA -0.033 44.072 45.100 -1.657 0.000 0.825 294 G HN -0.073 nan 8.290 nan 0.000 0.484 295 S N -0.817 114.689 115.700 -0.324 0.000 2.446 295 S HA 0.013 4.483 4.470 0.000 0.000 0.225 295 S C 2.511 177.096 174.600 -0.024 0.000 1.016 295 S CA 0.998 59.229 58.200 0.051 0.000 0.943 295 S CB 0.096 63.474 63.200 0.297 0.000 0.786 295 S HN 0.469 nan 8.310 nan 0.000 0.508 296 V N 2.709 122.601 119.914 -0.036 0.000 2.231 296 V HA -0.255 3.865 4.120 0.000 0.000 0.248 296 V C 2.432 178.533 176.094 0.012 0.000 1.054 296 V CA 2.145 64.452 62.300 0.013 0.000 1.015 296 V CB -0.728 31.113 31.823 0.029 0.000 0.638 296 V HN 0.372 nan 8.190 nan 0.000 0.444 297 D N -0.024 120.377 120.400 0.002 0.000 2.126 297 D HA -0.190 4.450 4.640 0.000 0.000 0.190 297 D C 1.988 178.269 176.300 -0.032 0.000 1.001 297 D CA 1.885 55.917 54.000 0.054 0.000 0.841 297 D CB -0.243 40.660 40.800 0.170 0.000 0.949 297 D HN 0.457 nan 8.370 nan 0.000 0.446 298 I N 0.004 120.427 120.570 -0.245 0.000 2.179 298 I HA -0.246 3.924 4.170 0.000 0.000 0.242 298 I C 2.567 178.638 176.117 -0.076 0.000 1.088 298 I CA 0.596 61.681 61.300 -0.359 0.000 1.357 298 I CB -0.177 37.463 38.000 -0.599 0.000 1.051 298 I HN 0.029 nan 8.210 nan 0.000 0.409 299 L N 0.072 121.295 121.223 0.000 0.000 2.083 299 L HA -0.200 4.140 4.340 0.000 0.000 0.209 299 L C 2.470 179.435 176.870 0.160 0.000 1.083 299 L CA 1.240 56.158 54.840 0.130 0.000 0.752 299 L CB -0.407 41.738 42.059 0.143 0.000 0.899 299 L HN 0.264 nan 8.230 nan 0.000 0.433 300 L N -0.669 120.607 121.223 0.088 0.000 2.109 300 L HA -0.174 4.166 4.340 0.000 0.000 0.207 300 L C 2.556 179.455 176.870 0.048 0.000 1.086 300 L CA 0.797 55.672 54.840 0.059 0.000 0.760 300 L CB -0.366 41.721 42.059 0.047 0.000 0.910 300 L HN 0.234 nan 8.230 nan 0.000 0.437 301 E N -0.035 120.207 120.200 0.071 0.000 2.106 301 E HA -0.277 4.074 4.350 0.000 0.000 0.192 301 E C 2.052 178.709 176.600 0.096 0.000 0.984 301 E CA 1.303 57.748 56.400 0.075 0.000 0.806 301 E CB -0.291 29.467 29.700 0.096 0.000 0.750 301 E HN 0.449 nan 8.360 nan 0.000 0.458 302 Y N 0.484 120.793 120.300 0.015 0.000 2.242 302 Y HA -0.056 4.494 4.550 0.000 0.000 0.291 302 Y C 2.218 178.158 175.900 0.067 0.000 1.137 302 Y CA 1.878 60.010 58.100 0.054 0.000 1.181 302 Y CB -0.211 38.292 38.460 0.072 0.000 0.989 302 Y HN -0.022 nan 8.280 nan 0.000 0.527 303 R N 0.746 121.161 120.500 -0.142 0.000 2.066 303 R HA -0.111 4.229 4.340 0.000 0.000 0.232 303 R C 2.537 178.624 176.300 -0.354 0.000 1.131 303 R CA 2.134 57.989 56.100 -0.408 0.000 0.955 303 R CB -0.954 29.192 30.300 -0.255 0.000 0.851 303 R HN 0.459 nan 8.270 nan 0.000 0.432 304 S N -0.769 114.827 115.700 -0.174 0.000 2.371 304 S HA -0.120 4.350 4.470 0.000 0.000 0.224 304 S C 2.045 176.588 174.600 -0.096 0.000 1.029 304 S CA 1.046 59.171 58.200 -0.124 0.000 0.978 304 S CB -0.553 62.609 63.200 -0.063 0.000 0.833 304 S HN 0.471 nan 8.310 nan 0.000 0.466 305 S N 1.160 116.820 115.700 -0.067 0.000 2.436 305 S HA 0.064 4.534 4.470 0.000 0.000 0.228 305 S C 0.793 175.365 174.600 -0.047 0.000 1.014 305 S CA 0.749 58.930 58.200 -0.032 0.000 0.950 305 S CB -0.703 62.504 63.200 0.012 0.000 0.784 305 S HN 0.603 nan 8.310 nan 0.000 0.504 306 E N 0.184 120.313 120.200 -0.117 0.000 3.496 306 E HA -0.151 4.199 4.350 0.000 0.000 0.300 306 E C -0.820 175.759 176.600 -0.034 0.000 0.877 306 E CA 0.675 57.006 56.400 -0.115 0.000 1.050 306 E CB -1.588 28.099 29.700 -0.022 0.000 1.532 306 E HN 0.581 nan 8.360 nan 0.000 0.447 307 N N -0.164 118.560 118.700 0.040 0.000 2.380 307 N HA 0.405 5.145 4.740 0.000 0.000 0.290 307 N C -2.764 172.905 175.510 0.266 0.000 1.236 307 N CA -1.906 51.226 53.050 0.136 0.000 0.780 307 N CB 1.537 40.073 38.487 0.081 0.000 1.438 307 N HN -0.245 nan 8.380 nan 0.000 0.491 308 P HA 0.040 nan 4.420 nan 0.000 0.266 308 P C -0.498 176.873 177.300 0.119 0.000 1.195 308 P CA -0.032 63.171 63.100 0.172 0.000 0.768 308 P CB 0.605 32.364 31.700 0.099 0.000 0.838 309 V N 5.018 124.984 119.914 0.085 0.000 2.465 309 V HA 0.276 4.396 4.120 0.000 0.000 0.279 309 V C 0.726 176.827 176.094 0.011 0.000 1.045 309 V CA -0.284 62.051 62.300 0.058 0.000 0.938 309 V CB 0.784 32.622 31.823 0.024 0.000 0.986 309 V HN 0.444 nan 8.190 nan 0.000 0.467 310 R N 4.137 124.580 120.500 -0.095 0.000 2.294 310 R HA 0.651 4.992 4.340 0.000 0.000 0.319 310 R C -1.414 174.817 176.300 -0.116 0.000 0.984 310 R CA -0.291 55.515 56.100 -0.491 0.000 0.861 310 R CB 1.146 30.724 30.300 -1.204 0.000 1.104 310 R HN 0.641 nan 8.270 nan 0.000 0.451 311 Y N -0.348 120.116 120.300 0.274 0.000 2.705 311 Y HA 0.732 5.283 4.550 0.000 0.000 0.332 311 Y C 0.647 176.606 175.900 0.099 0.000 1.157 311 Y CA -0.911 57.275 58.100 0.143 0.000 1.091 311 Y CB 2.424 40.912 38.460 0.048 0.000 1.301 311 Y HN 0.677 nan 8.280 nan 0.000 0.488 312 G N -0.146 108.689 108.800 0.059 0.000 2.694 312 G HA2 0.693 4.653 3.960 0.000 0.000 0.290 312 G HA3 0.693 4.653 3.960 0.000 0.000 0.290 312 G C -1.847 172.469 174.900 -0.973 0.000 1.386 312 G CA -0.675 44.193 45.100 -0.386 0.000 0.872 312 G HN 0.449 nan 8.290 nan 0.000 0.475 313 Q N -1.571 117.356 119.800 -1.456 0.000 2.882 313 Q HA 0.289 4.629 4.340 0.000 0.000 0.315 313 Q C 1.677 176.878 176.000 -1.331 0.000 1.004 313 Q CA -0.420 54.494 55.803 -1.482 0.000 0.777 313 Q CB 1.931 29.962 28.738 -1.177 0.000 1.506 313 Q HN 0.840 nan 8.270 nan 0.000 0.489 314 C N -0.804 118.339 119.300 -0.262 0.000 2.401 314 C HA -0.115 4.345 4.460 0.000 0.000 0.276 314 C C 2.060 177.029 174.990 -0.035 0.000 1.233 314 C CA 1.261 60.343 59.018 0.105 0.000 1.753 314 C CB -1.562 26.620 27.740 0.738 0.000 2.029 314 C HN 0.966 nan 8.230 nan 0.000 0.478 315 W N 1.753 122.995 121.300 -0.097 0.000 2.467 315 W HA 0.214 4.874 4.660 0.000 0.000 0.275 315 W C 1.796 178.045 176.519 -0.449 0.000 1.239 315 W CA 0.966 58.172 57.345 -0.233 0.000 1.266 315 W CB -1.023 28.294 29.460 -0.239 0.000 1.112 315 W HN 0.150 nan 8.180 nan 0.000 0.576 316 V N 1.410 120.639 119.914 -1.141 0.000 2.307 316 V HA -0.290 3.830 4.120 0.000 0.000 0.245 316 V C 2.308 178.193 176.094 -0.348 0.000 1.045 316 V CA 1.748 63.569 62.300 -0.798 0.000 1.024 316 V CB -1.141 30.218 31.823 -0.773 0.000 0.651 316 V HN 0.068 nan 8.190 nan 0.000 0.449 317 F N 1.211 121.009 119.950 -0.253 0.000 2.134 317 F HA -0.099 4.429 4.527 0.000 0.000 0.299 317 F C 2.502 178.279 175.800 -0.039 0.000 1.097 317 F CA 0.999 58.932 58.000 -0.112 0.000 1.264 317 F CB -1.571 37.400 39.000 -0.049 0.000 1.001 317 F HN 0.125 nan 8.300 nan 0.000 0.479 318 A N 0.262 123.156 122.820 0.122 0.000 1.930 318 A HA 0.020 4.340 4.320 0.000 0.000 0.217 318 A C 2.614 180.202 177.584 0.007 0.000 1.175 318 A CA 1.618 53.722 52.037 0.112 0.000 0.627 318 A CB -1.515 17.524 19.000 0.065 0.000 0.815 318 A HN 0.392 nan 8.150 nan 0.000 0.443 319 G N -0.402 108.248 108.800 -0.249 0.000 2.433 319 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 319 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 319 G C 1.524 176.564 174.900 0.233 0.000 1.186 319 G CA 1.301 46.197 45.100 -0.340 0.000 0.779 319 G HN 0.302 nan 8.290 nan 0.000 0.543 320 V N 0.195 120.253 119.914 0.240 0.000 2.343 320 V HA -0.105 4.015 4.120 0.000 0.000 0.247 320 V C 2.353 178.601 176.094 0.257 0.000 1.051 320 V CA 1.691 64.149 62.300 0.263 0.000 1.036 320 V CB -0.553 31.369 31.823 0.165 0.000 0.654 320 V HN 0.349 nan 8.190 nan 0.000 0.451 321 F N 1.443 121.433 119.950 0.067 0.000 2.293 321 F HA -0.087 4.440 4.527 0.000 0.000 0.300 321 F C 2.071 177.935 175.800 0.107 0.000 1.086 321 F CA 1.580 59.619 58.000 0.066 0.000 1.375 321 F CB -0.477 38.535 39.000 0.020 0.000 1.045 321 F HN 0.189 nan 8.300 nan 0.000 0.516 322 N N -0.603 118.077 118.700 -0.034 0.000 2.142 322 N HA -0.142 4.598 4.740 0.000 0.000 0.186 322 N C 1.765 177.101 175.510 -0.290 0.000 1.023 322 N CA 1.927 54.815 53.050 -0.270 0.000 0.852 322 N CB -0.364 37.878 38.487 -0.409 0.000 0.998 322 N HN 0.184 nan 8.380 nan 0.000 0.424 323 T N -0.055 114.443 114.554 -0.092 0.000 2.684 323 T HA -0.150 4.200 4.350 0.000 0.000 0.267 323 T C 1.537 176.240 174.700 0.004 0.000 1.036 323 T CA 1.241 63.339 62.100 -0.004 0.000 1.148 323 T CB -0.596 68.374 68.868 0.169 0.000 0.863 323 T HN 0.294 nan 8.240 nan 0.000 0.436 324 F N 1.712 121.613 119.950 -0.081 0.000 2.065 324 F HA -0.138 4.390 4.527 0.000 0.000 0.298 324 F C 1.951 177.671 175.800 -0.133 0.000 1.112 324 F CA 1.393 59.355 58.000 -0.063 0.000 1.212 324 F CB -0.496 38.494 39.000 -0.015 0.000 0.975 324 F HN 0.059 nan 8.300 nan 0.000 0.476 325 L N -0.184 120.919 121.223 -0.201 0.000 2.027 325 L HA -0.186 4.154 4.340 0.000 0.000 0.206 325 L C 2.701 179.452 176.870 -0.200 0.000 1.074 325 L CA 1.543 56.210 54.840 -0.288 0.000 0.745 325 L CB -0.705 41.151 42.059 -0.338 0.000 0.898 325 L HN 0.037 nan 8.230 nan 0.000 0.433 326 R N -0.984 119.409 120.500 -0.177 0.000 2.081 326 R HA -0.181 4.159 4.340 0.000 0.000 0.235 326 R C 2.491 178.742 176.300 -0.082 0.000 1.131 326 R CA 1.598 57.628 56.100 -0.116 0.000 0.960 326 R CB -0.760 29.439 30.300 -0.169 0.000 0.856 326 R HN 0.442 nan 8.270 nan 0.000 0.436 327 C N 0.716 119.943 119.300 -0.123 0.000 2.411 327 C HA -0.032 4.428 4.460 0.000 0.000 0.279 327 C C 2.266 177.309 174.990 0.088 0.000 1.288 327 C CA 0.699 59.699 59.018 -0.030 0.000 1.764 327 C CB -0.857 26.862 27.740 -0.035 0.000 1.974 327 C HN 0.434 nan 8.230 nan 0.000 0.498 328 L N -0.146 121.063 121.223 -0.023 0.000 2.446 328 L HA 0.235 4.575 4.340 0.000 0.000 0.219 328 L C 2.009 179.054 176.870 0.290 0.000 1.116 328 L CA 1.203 56.092 54.840 0.081 0.000 0.844 328 L CB -0.515 41.541 42.059 -0.005 0.000 0.970 328 L HN 0.576 nan 8.230 nan 0.000 0.457 329 G N 0.594 109.528 108.800 0.223 0.000 2.175 329 G HA2 -0.190 3.770 3.960 0.000 0.000 0.182 329 G HA3 -0.190 3.770 3.960 0.000 0.000 0.182 329 G C 0.079 175.081 174.900 0.170 0.000 1.003 329 G CA -0.587 44.693 45.100 0.299 0.000 0.666 329 G HN 0.188 nan 8.290 nan 0.000 0.506 330 I N 2.141 122.701 120.570 -0.016 0.000 2.315 330 I HA 0.295 4.465 4.170 0.000 0.000 0.291 330 I C -2.052 174.035 176.117 -0.049 0.000 1.006 330 I CA -2.352 58.857 61.300 -0.151 0.000 1.265 330 I CB 1.484 39.297 38.000 -0.312 0.000 1.387 330 I HN -0.153 nan 8.210 nan 0.000 0.475 331 P HA 0.136 nan 4.420 nan 0.000 0.264 331 P C -0.833 176.549 177.300 0.137 0.000 1.193 331 P CA 0.089 63.219 63.100 0.049 0.000 0.763 331 P CB 0.725 32.387 31.700 -0.064 0.000 0.810 332 A N 3.601 126.527 122.820 0.178 0.000 2.572 332 A HA 0.841 5.161 4.320 0.000 0.000 0.295 332 A C -0.849 176.776 177.584 0.068 0.000 1.072 332 A CA -0.717 51.416 52.037 0.160 0.000 0.691 332 A CB 1.740 20.721 19.000 -0.032 0.000 1.291 332 A HN 0.640 nan 8.150 nan 0.000 0.404 333 R N 0.562 121.033 120.500 -0.049 0.000 2.739 333 R HA 0.797 5.137 4.340 0.000 0.000 0.271 333 R C -1.737 174.506 176.300 -0.095 0.000 1.010 333 R CA -0.793 55.241 56.100 -0.110 0.000 0.897 333 R CB 1.217 31.346 30.300 -0.284 0.000 1.236 333 R HN 0.482 nan 8.270 nan 0.000 0.466 334 I N 2.340 122.885 120.570 -0.042 0.000 2.359 334 I HA 0.361 4.531 4.170 0.000 0.000 0.294 334 I C 0.058 176.101 176.117 -0.123 0.000 0.987 334 I CA -1.182 60.087 61.300 -0.051 0.000 1.225 334 I CB 1.949 39.946 38.000 -0.005 0.000 1.366 334 I HN 0.521 nan 8.210 nan 0.000 0.466 335 V N 2.157 121.913 119.914 -0.263 0.000 2.715 335 V HA 0.658 4.779 4.120 0.000 0.000 0.310 335 V C -0.276 175.497 176.094 -0.535 0.000 1.054 335 V CA -0.192 61.863 62.300 -0.408 0.000 0.928 335 V CB 1.843 33.329 31.823 -0.561 0.000 1.007 335 V HN 0.694 nan 8.190 nan 0.000 0.437 336 T N 4.072 118.360 114.554 -0.443 0.000 2.792 336 T HA 0.441 4.791 4.350 0.000 0.000 0.280 336 T C -0.543 173.796 174.700 -0.601 0.000 0.990 336 T CA -0.135 61.683 62.100 -0.470 0.000 0.960 336 T CB 0.915 69.575 68.868 -0.347 0.000 0.939 336 T HN 0.945 nan 8.240 nan 0.000 0.439 337 N N 2.244 120.578 118.700 -0.610 0.000 2.424 337 N HA 0.301 5.041 4.740 0.000 0.000 0.271 337 N C -1.529 173.819 175.510 -0.270 0.000 0.985 337 N CA -0.504 52.295 53.050 -0.418 0.000 0.921 337 N CB 0.357 38.652 38.487 -0.319 0.000 1.149 337 N HN 0.430 nan 8.380 nan 0.000 0.492 338 Y N 3.866 124.117 120.300 -0.082 0.000 2.336 338 Y HA 0.345 4.895 4.550 0.000 0.000 0.335 338 Y C -0.175 175.662 175.900 -0.104 0.000 1.046 338 Y CA -0.140 57.868 58.100 -0.153 0.000 1.198 338 Y CB 0.308 38.587 38.460 -0.302 0.000 1.182 338 Y HN 0.385 nan 8.280 nan 0.000 0.502 339 F N 1.219 121.294 119.950 0.209 0.000 2.347 339 F HA -0.226 4.301 4.527 0.000 0.000 0.381 339 F C 0.168 176.041 175.800 0.121 0.000 1.130 339 F CA -0.059 58.004 58.000 0.105 0.000 1.275 339 F CB -1.532 37.374 39.000 -0.157 0.000 1.857 339 F HN 0.365 nan 8.300 nan 0.000 0.781 340 S N 1.352 117.259 115.700 0.344 0.000 2.437 340 S HA 0.831 5.301 4.470 0.000 0.000 0.305 340 S C 0.116 174.789 174.600 0.123 0.000 1.109 340 S CA 0.013 58.346 58.200 0.222 0.000 1.099 340 S CB 1.266 64.601 63.200 0.224 0.000 1.004 340 S HN 0.800 nan 8.310 nan 0.000 0.475 341 A N 4.209 127.079 122.820 0.083 0.000 2.923 341 A HA 0.365 4.685 4.320 0.000 0.000 0.306 341 A C -0.190 177.356 177.584 -0.063 0.000 1.542 341 A CA -0.203 51.855 52.037 0.035 0.000 1.225 341 A CB -0.567 18.463 19.000 0.050 0.000 1.147 341 A HN 0.918 nan 8.150 nan 0.000 0.542 342 H N 1.139 119.992 119.070 -0.361 0.000 2.505 342 H HA 0.304 4.860 4.556 0.000 0.000 0.355 342 H C 0.156 175.353 175.328 -0.219 0.000 1.179 342 H CA 0.310 56.061 56.048 -0.495 0.000 1.343 342 H CB 0.659 29.698 29.762 -1.204 0.000 1.501 342 H HN 0.702 nan 8.280 nan 0.000 0.569 343 D N 1.398 121.434 120.400 -0.607 0.000 2.772 343 D HA -0.226 4.414 4.640 0.000 0.000 0.233 343 D C 0.341 176.570 176.300 -0.118 0.000 1.143 343 D CA 1.097 54.920 54.000 -0.294 0.000 0.700 343 D CB -1.603 39.117 40.800 -0.133 0.000 1.076 343 D HN 0.797 nan 8.370 nan 0.000 0.430 344 N N 0.243 118.890 118.700 -0.088 0.000 2.463 344 N HA -0.029 4.711 4.740 0.000 0.000 0.181 344 N C 0.624 176.160 175.510 0.042 0.000 1.078 344 N CA 0.817 53.861 53.050 -0.011 0.000 0.902 344 N CB 0.169 38.650 38.487 -0.009 0.000 0.970 344 N HN 0.108 nan 8.380 nan 0.000 0.451 345 D N -0.889 119.589 120.400 0.131 0.000 2.860 345 D HA -0.299 4.342 4.640 0.000 0.000 0.229 345 D C 0.404 176.767 176.300 0.104 0.000 1.169 345 D CA 1.152 55.286 54.000 0.222 0.000 0.737 345 D CB -1.331 39.531 40.800 0.102 0.000 1.080 345 D HN 0.681 nan 8.370 nan 0.000 0.424 346 A N -1.914 120.856 122.820 -0.083 0.000 3.021 346 A HA -0.308 4.012 4.320 0.000 0.000 0.257 346 A C 0.392 177.898 177.584 -0.129 0.000 1.277 346 A CA 0.997 52.843 52.037 -0.319 0.000 1.012 346 A CB -1.721 16.917 19.000 -0.604 0.000 1.147 346 A HN 0.484 nan 8.150 nan 0.000 0.861 347 N N -0.099 118.573 118.700 -0.047 0.000 2.472 347 N HA 0.510 5.250 4.740 0.000 0.000 0.277 347 N C 0.652 176.164 175.510 0.004 0.000 1.081 347 N CA -0.146 52.893 53.050 -0.019 0.000 0.973 347 N CB 0.919 39.404 38.487 -0.004 0.000 1.105 347 N HN 0.431 nan 8.380 nan 0.000 0.470 348 L N 1.576 122.810 121.223 0.019 0.000 2.737 348 L HA 0.190 4.530 4.340 0.000 0.000 0.236 348 L C 0.105 176.989 176.870 0.025 0.000 1.219 348 L CA 0.290 55.159 54.840 0.049 0.000 1.021 348 L CB -0.242 41.868 42.059 0.084 0.000 1.291 348 L HN 0.316 nan 8.230 nan 0.000 0.470 349 Q N 0.923 120.725 119.800 0.003 0.000 2.315 349 Q HA 0.526 4.866 4.340 0.000 0.000 0.273 349 Q C -1.214 174.763 176.000 -0.040 0.000 1.053 349 Q CA -0.402 55.388 55.803 -0.021 0.000 0.817 349 Q CB 3.414 32.136 28.738 -0.027 0.000 1.326 349 Q HN 0.063 nan 8.270 nan 0.000 0.423 350 M N 2.233 121.789 119.600 -0.073 0.000 2.253 350 M HA 0.383 4.864 4.480 0.000 0.000 0.314 350 M C -1.729 174.449 176.300 -0.203 0.000 1.019 350 M CA -0.341 54.902 55.300 -0.095 0.000 0.932 350 M CB 1.381 33.946 32.600 -0.059 0.000 1.606 350 M HN 0.400 nan 8.290 nan 0.000 0.430 351 D N 5.297 125.549 120.400 -0.246 0.000 2.198 351 D HA 0.477 5.117 4.640 0.000 0.000 0.245 351 D C -0.952 175.002 176.300 -0.576 0.000 1.079 351 D CA 0.127 53.836 54.000 -0.485 0.000 0.854 351 D CB 1.329 41.755 40.800 -0.624 0.000 1.148 351 D HN 0.440 nan 8.370 nan 0.000 0.456 352 I N 2.175 122.333 120.570 -0.686 0.000 2.389 352 I HA 0.267 4.437 4.170 0.000 0.000 0.288 352 I C -0.573 175.203 176.117 -0.570 0.000 0.999 352 I CA -0.604 60.402 61.300 -0.491 0.000 1.129 352 I CB 0.949 38.729 38.000 -0.367 0.000 1.288 352 I HN 0.097 nan 8.210 nan 0.000 0.444 353 F N 6.267 126.145 119.950 -0.121 0.000 2.410 353 F HA 0.556 5.084 4.527 0.000 0.000 0.349 353 F C 0.061 175.789 175.800 -0.120 0.000 1.117 353 F CA -0.540 57.382 58.000 -0.130 0.000 1.104 353 F CB 0.822 39.729 39.000 -0.155 0.000 1.122 353 F HN 0.138 nan 8.300 nan 0.000 0.483 354 L N 3.193 124.463 121.223 0.079 0.000 2.344 354 L HA 0.462 4.802 4.340 0.000 0.000 0.272 354 L C 0.371 177.234 176.870 -0.012 0.000 1.035 354 L CA -1.103 53.735 54.840 -0.004 0.000 0.807 354 L CB 0.993 43.048 42.059 -0.006 0.000 1.237 354 L HN 0.477 nan 8.230 nan 0.000 0.442 355 E N 1.025 121.179 120.200 -0.077 0.000 2.369 355 E HA 0.046 4.396 4.350 0.000 0.000 0.255 355 E C 0.540 177.103 176.600 -0.062 0.000 1.172 355 E CA -0.216 56.138 56.400 -0.077 0.000 0.932 355 E CB 0.857 30.476 29.700 -0.135 0.000 1.040 355 E HN 0.550 nan 8.360 nan 0.000 0.454 356 E N 0.644 120.819 120.200 -0.041 0.000 2.153 356 E HA -0.193 4.157 4.350 0.000 0.000 0.194 356 E C 1.210 177.797 176.600 -0.022 0.000 0.988 356 E CA 1.365 57.755 56.400 -0.017 0.000 0.811 356 E CB 0.058 29.756 29.700 -0.004 0.000 0.746 356 E HN 0.433 nan 8.360 nan 0.000 0.466 357 D N -1.030 119.336 120.400 -0.056 0.000 2.178 357 D HA -0.076 4.565 4.640 0.000 0.000 0.202 357 D C 1.465 177.753 176.300 -0.020 0.000 0.974 357 D CA 1.363 55.349 54.000 -0.023 0.000 0.841 357 D CB -0.133 40.652 40.800 -0.025 0.000 0.953 357 D HN 0.276 nan 8.370 nan 0.000 0.478 358 G N -1.036 107.659 108.800 -0.174 0.000 2.977 358 G HA2 -0.198 3.763 3.960 0.000 0.000 0.211 358 G HA3 -0.198 3.763 3.960 0.000 0.000 0.211 358 G C 0.149 174.842 174.900 -0.345 0.000 0.994 358 G CA -0.323 44.701 45.100 -0.127 0.000 0.795 358 G HN 0.240 nan 8.290 nan 0.000 0.518 359 N N 0.438 118.714 118.700 -0.706 0.000 2.307 359 N HA 0.312 5.053 4.740 0.000 0.000 0.230 359 N C 0.451 175.780 175.510 -0.302 0.000 1.297 359 N CA 0.198 52.885 53.050 -0.604 0.000 0.884 359 N CB 1.010 39.173 38.487 -0.541 0.000 1.115 359 N HN 0.099 nan 8.380 nan 0.000 0.436 360 V N 2.366 122.118 119.914 -0.270 0.000 2.498 360 V HA 0.059 4.179 4.120 0.000 0.000 0.279 360 V C 0.594 176.572 176.094 -0.194 0.000 1.048 360 V CA -0.640 61.487 62.300 -0.288 0.000 0.967 360 V CB 0.940 32.421 31.823 -0.569 0.000 0.988 360 V HN 0.556 nan 8.190 nan 0.000 0.473 361 N N 3.377 122.006 118.700 -0.119 0.000 2.555 361 N HA 0.018 4.758 4.740 0.000 0.000 0.244 361 N C 1.306 176.791 175.510 -0.041 0.000 1.114 361 N CA 0.456 53.471 53.050 -0.060 0.000 0.963 361 N CB 1.092 39.575 38.487 -0.006 0.000 1.276 361 N HN 0.761 nan 8.380 nan 0.000 0.510 362 S N 2.581 118.250 115.700 -0.051 0.000 2.547 362 S HA 0.002 4.472 4.470 0.000 0.000 0.235 362 S C 1.397 176.000 174.600 0.004 0.000 0.980 362 S CA 0.672 58.862 58.200 -0.017 0.000 0.941 362 S CB 0.072 63.272 63.200 -0.001 0.000 0.763 362 S HN 0.504 nan 8.310 nan 0.000 0.532 363 K N 0.217 120.612 120.400 -0.009 0.000 2.262 363 K HA 0.329 4.649 4.320 0.000 0.000 0.200 363 K C 1.674 178.264 176.600 -0.017 0.000 1.049 363 K CA 0.464 56.743 56.287 -0.014 0.000 0.979 363 K CB -0.042 32.442 32.500 -0.028 0.000 0.773 363 K HN 0.385 nan 8.250 nan 0.000 0.474 364 L N 0.329 121.541 121.223 -0.017 0.000 2.354 364 L HA 0.036 4.376 4.340 0.000 0.000 0.212 364 L C 0.427 177.405 176.870 0.179 0.000 1.091 364 L CA 0.452 55.263 54.840 -0.050 0.000 0.828 364 L CB 0.327 42.221 42.059 -0.274 0.000 0.973 364 L HN -0.056 nan 8.230 nan 0.000 0.461 365 T N 1.477 116.154 114.554 0.204 0.000 2.776 365 T HA 0.093 4.444 4.350 0.000 0.000 0.292 365 T C 0.953 175.722 174.700 0.115 0.000 0.921 365 T CA -0.076 62.143 62.100 0.198 0.000 1.038 365 T CB 0.646 69.561 68.868 0.079 0.000 0.910 365 T HN 0.011 nan 8.240 nan 0.000 0.536 366 K N 1.419 121.889 120.400 0.115 0.000 2.391 366 K HA 0.166 4.486 4.320 0.000 0.000 0.197 366 K C 0.049 176.676 176.600 0.045 0.000 1.087 366 K CA 0.116 56.441 56.287 0.063 0.000 1.012 366 K CB 0.641 33.169 32.500 0.048 0.000 0.925 366 K HN 0.475 nan 8.250 nan 0.000 0.547 367 D N 1.387 121.818 120.400 0.052 0.000 2.225 367 D HA 0.197 4.838 4.640 0.000 0.000 0.249 367 D C 0.073 176.399 176.300 0.043 0.000 1.052 367 D CA 0.033 54.057 54.000 0.040 0.000 0.909 367 D CB 1.607 42.424 40.800 0.029 0.000 1.186 367 D HN -0.027 nan 8.370 nan 0.000 0.431 368 S N -0.699 115.037 115.700 0.061 0.000 2.549 368 S HA 0.573 5.043 4.470 0.000 0.000 0.280 368 S C -0.635 174.064 174.600 0.166 0.000 1.109 368 S CA -0.917 57.319 58.200 0.061 0.000 0.905 368 S CB 1.382 64.578 63.200 -0.006 0.000 1.081 368 S HN 0.132 nan 8.310 nan 0.000 0.477 369 V N 2.247 122.259 119.914 0.165 0.000 2.509 369 V HA 0.344 4.464 4.120 0.000 0.000 0.284 369 V C -0.601 175.733 176.094 0.400 0.000 1.047 369 V CA -0.524 61.955 62.300 0.298 0.000 0.952 369 V CB 0.404 32.399 31.823 0.287 0.000 0.988 369 V HN 0.898 nan 8.190 nan 0.000 0.469 370 W N 3.495 124.862 121.300 0.111 0.000 2.238 370 W HA 0.347 5.007 4.660 0.000 0.000 0.321 370 W C 1.534 178.165 176.519 0.187 0.000 1.293 370 W CA -0.731 56.642 57.345 0.048 0.000 1.204 370 W CB -0.363 29.074 29.460 -0.039 0.000 1.167 370 W HN 0.622 nan 8.180 nan 0.000 0.553 371 N N 0.939 119.851 118.700 0.352 0.000 2.094 371 N HA -0.206 4.534 4.740 0.000 0.000 0.191 371 N C -0.466 175.249 175.510 0.342 0.000 1.023 371 N CA 1.650 54.912 53.050 0.352 0.000 0.857 371 N CB -0.134 38.584 38.487 0.384 0.000 1.013 371 N HN 0.481 nan 8.380 nan 0.000 0.426 372 Y N -2.749 117.755 120.300 0.340 0.000 2.609 372 Y HA 0.605 5.155 4.550 0.000 0.000 0.336 372 Y C -1.328 174.883 175.900 0.518 0.000 1.129 372 Y CA -1.458 56.731 58.100 0.147 0.000 1.040 372 Y CB 0.961 39.319 38.460 -0.170 0.000 1.310 372 Y HN -0.104 nan 8.280 nan 0.000 0.460 373 H N 0.577 119.800 119.070 0.255 0.000 3.026 373 H HA 0.684 5.240 4.556 0.000 0.000 0.352 373 H C -1.847 173.612 175.328 0.218 0.000 1.090 373 H CA -1.171 55.062 56.048 0.308 0.000 1.268 373 H CB 1.590 31.390 29.762 0.063 0.000 1.816 373 H HN 1.125 nan 8.280 nan 0.000 0.518 374 C N 5.007 124.233 119.300 -0.123 0.000 2.358 374 C HA 0.698 5.158 4.460 0.000 0.000 0.342 374 C C -0.553 174.323 174.990 -0.189 0.000 1.234 374 C CA -0.426 58.478 59.018 -0.189 0.000 1.969 374 C CB -1.210 26.559 27.740 0.049 0.000 2.346 374 C HN 0.870 nan 8.230 nan 0.000 0.525 375 W N 1.758 122.934 121.300 -0.208 0.000 3.098 375 W HA 0.699 5.359 4.660 0.000 0.000 0.367 375 W C -1.335 175.195 176.519 0.018 0.000 1.163 375 W CA -0.784 56.509 57.345 -0.087 0.000 1.113 375 W CB 0.242 29.666 29.460 -0.060 0.000 1.501 375 W HN 0.480 nan 8.180 nan 0.000 0.598 376 N N 0.206 119.187 118.700 0.469 0.000 2.362 376 N HA 0.479 5.219 4.740 0.000 0.000 0.299 376 N C -1.503 174.241 175.510 0.390 0.000 1.170 376 N CA -1.001 52.247 53.050 0.329 0.000 0.825 376 N CB 2.072 40.795 38.487 0.394 0.000 1.299 376 N HN 0.419 nan 8.380 nan 0.000 0.502 377 E N 0.200 120.540 120.200 0.234 0.000 2.248 377 E HA 0.724 5.074 4.350 0.000 0.000 0.267 377 E C -1.316 175.534 176.600 0.417 0.000 0.877 377 E CA -1.049 55.536 56.400 0.307 0.000 0.759 377 E CB 2.122 31.862 29.700 0.067 0.000 1.182 377 E HN 0.554 nan 8.360 nan 0.000 0.418 378 A N 3.049 126.149 122.820 0.468 0.000 2.371 378 A HA 0.395 4.715 4.320 0.000 0.000 0.311 378 A C -1.583 176.137 177.584 0.226 0.000 1.068 378 A CA -0.691 51.543 52.037 0.328 0.000 0.744 378 A CB 1.132 20.223 19.000 0.152 0.000 1.239 378 A HN 0.699 nan 8.150 nan 0.000 0.435 379 W N 5.440 126.597 121.300 -0.238 0.000 2.338 379 W HA 0.626 5.287 4.660 0.001 0.000 0.307 379 W C -0.921 175.403 176.519 -0.325 0.000 1.167 379 W CA -0.175 56.837 57.345 -0.555 0.000 1.208 379 W CB 1.181 30.027 29.460 -1.022 0.000 1.228 379 W HN 0.882 nan 8.180 nan 0.000 0.499 380 M N 3.933 123.077 119.600 -0.761 0.000 2.822 380 M HA 0.224 4.704 4.480 0.000 0.000 0.275 380 M C -0.771 175.236 176.300 -0.488 0.000 1.084 380 M CA -0.648 54.365 55.300 -0.479 0.000 0.814 380 M CB 1.309 33.764 32.600 -0.242 0.000 1.693 380 M HN 0.254 nan 8.290 nan 0.000 0.531 381 T N -0.262 114.112 114.554 -0.299 0.000 2.788 381 T HA 0.567 4.918 4.350 0.000 0.000 0.287 381 T C 0.031 174.638 174.700 -0.155 0.000 1.007 381 T CA -0.623 61.339 62.100 -0.229 0.000 1.005 381 T CB 0.713 69.507 68.868 -0.124 0.000 1.012 381 T HN 0.712 nan 8.240 nan 0.000 0.530 382 R N 1.978 122.405 120.500 -0.122 0.000 2.585 382 R HA 0.262 4.602 4.340 0.000 0.000 0.278 382 R C -2.107 174.153 176.300 -0.067 0.000 1.663 382 R CA -2.043 54.013 56.100 -0.074 0.000 1.592 382 R CB 1.065 31.327 30.300 -0.063 0.000 1.200 382 R HN 0.610 nan 8.270 nan 0.000 0.611 383 P HA -0.104 nan 4.420 nan 0.000 0.234 383 P C 0.291 177.566 177.300 -0.043 0.000 1.167 383 P CA 0.865 63.940 63.100 -0.042 0.000 0.763 383 P CB 0.368 32.056 31.700 -0.020 0.000 0.835 384 D N -0.918 119.456 120.400 -0.043 0.000 2.349 384 D HA 0.016 4.657 4.640 0.000 0.000 0.215 384 D C 0.756 176.987 176.300 -0.116 0.000 1.016 384 D CA 0.224 54.192 54.000 -0.053 0.000 0.870 384 D CB -0.185 40.602 40.800 -0.022 0.000 0.917 384 D HN 0.230 nan 8.370 nan 0.000 0.524 385 L N -0.328 120.804 121.223 -0.152 0.000 2.279 385 L HA 0.492 4.833 4.340 0.000 0.000 0.262 385 L C -2.350 174.398 176.870 -0.203 0.000 1.019 385 L CA -2.405 52.267 54.840 -0.280 0.000 0.823 385 L CB 1.686 43.542 42.059 -0.338 0.000 1.358 385 L HN -0.344 nan 8.230 nan 0.000 0.432 386 P HA 0.066 nan 4.420 nan 0.000 0.271 386 P C -0.682 176.528 177.300 -0.150 0.000 1.233 386 P CA -0.433 62.581 63.100 -0.144 0.000 0.789 386 P CB 0.443 32.076 31.700 -0.112 0.000 0.951 387 V N 1.244 121.047 119.914 -0.185 0.000 2.814 387 V HA 0.222 4.343 4.120 0.000 0.000 0.307 387 V C 1.648 177.489 176.094 -0.422 0.000 1.089 387 V CA 1.941 64.104 62.300 -0.229 0.000 1.212 387 V CB -0.443 31.277 31.823 -0.171 0.000 0.912 387 V HN 1.050 nan 8.190 nan 0.000 0.497 388 G N 3.637 112.190 108.800 -0.412 0.000 2.179 388 G HA2 -0.241 3.720 3.960 0.000 0.000 0.220 388 G HA3 -0.241 3.720 3.960 0.000 0.000 0.220 388 G C 0.129 174.614 174.900 -0.692 0.000 0.990 388 G CA 0.132 44.895 45.100 -0.562 0.000 0.646 388 G HN 0.612 nan 8.290 nan 0.000 0.517 389 F N 2.269 122.093 119.950 -0.209 0.000 2.641 389 F HA 0.499 5.026 4.527 0.000 0.000 0.302 389 F C 1.863 177.538 175.800 -0.208 0.000 1.098 389 F CA -0.393 57.487 58.000 -0.201 0.000 1.318 389 F CB 0.290 39.136 39.000 -0.257 0.000 1.035 389 F HN 0.324 nan 8.300 nan 0.000 0.551 390 G N -0.467 108.242 108.800 -0.151 0.000 2.621 390 G HA2 0.497 4.457 3.960 0.000 0.000 0.271 390 G HA3 0.497 4.457 3.960 0.000 0.000 0.271 390 G C 0.499 175.137 174.900 -0.437 0.000 1.236 390 G CA 0.295 45.223 45.100 -0.286 0.000 0.958 390 G HN 0.611 nan 8.290 nan 0.000 0.512 391 G N -1.538 106.734 108.800 -0.881 0.000 2.418 391 G HA2 -0.128 3.832 3.960 0.000 0.000 0.206 391 G HA3 -0.128 3.832 3.960 0.000 0.000 0.206 391 G C -0.371 173.996 174.900 -0.889 0.000 1.202 391 G CA -0.328 43.942 45.100 -1.383 0.000 1.061 391 G HN 0.792 nan 8.290 nan 0.000 0.563 392 W N 1.899 123.083 121.300 -0.193 0.000 2.210 392 W HA 0.545 5.205 4.660 0.000 0.000 0.330 392 W C 0.602 177.101 176.519 -0.034 0.000 1.334 392 W CA -0.014 57.337 57.345 0.011 0.000 1.227 392 W CB 0.639 30.162 29.460 0.105 0.000 1.178 392 W HN 0.377 nan 8.180 nan 0.000 0.560 393 Q N 2.534 122.515 119.800 0.302 0.000 2.321 393 Q HA 0.545 4.885 4.340 0.000 0.000 0.270 393 Q C -0.398 175.774 176.000 0.286 0.000 1.032 393 Q CA -0.837 55.090 55.803 0.207 0.000 0.784 393 Q CB 1.838 30.655 28.738 0.131 0.000 1.264 393 Q HN 0.543 nan 8.270 nan 0.000 0.448 394 A N 1.973 124.956 122.820 0.272 0.000 2.354 394 A HA 0.634 4.954 4.320 0.000 0.000 0.269 394 A C -0.332 177.383 177.584 0.218 0.000 1.109 394 A CA -0.333 51.904 52.037 0.335 0.000 0.800 394 A CB 0.627 19.827 19.000 0.334 0.000 1.045 394 A HN 0.425 nan 8.150 nan 0.000 0.489 395 V N 3.054 123.119 119.914 0.252 0.000 2.612 395 V HA 0.319 4.439 4.120 0.000 0.000 0.301 395 V C -1.244 174.934 176.094 0.140 0.000 1.059 395 V CA -0.694 61.706 62.300 0.166 0.000 0.886 395 V CB 1.918 33.904 31.823 0.271 0.000 1.007 395 V HN 0.944 nan 8.190 nan 0.000 0.426 396 D N 2.657 123.063 120.400 0.010 0.000 2.414 396 D HA 0.322 4.962 4.640 0.000 0.000 0.232 396 D C 1.019 177.324 176.300 0.009 0.000 1.070 396 D CA -0.111 53.925 54.000 0.059 0.000 0.839 396 D CB 2.156 42.954 40.800 -0.004 0.000 1.079 396 D HN 0.553 nan 8.370 nan 0.000 0.521 397 S N 1.384 117.073 115.700 -0.017 0.000 2.593 397 S HA 0.022 4.492 4.470 0.000 0.000 0.217 397 S C 0.734 175.301 174.600 -0.055 0.000 0.966 397 S CA -0.201 57.901 58.200 -0.163 0.000 0.914 397 S CB -0.182 62.790 63.200 -0.381 0.000 0.776 397 S HN 0.345 nan 8.310 nan 0.000 0.523 398 T N 5.314 119.999 114.554 0.219 0.000 2.727 398 T HA 0.371 4.721 4.350 0.000 0.000 0.295 398 T C -2.633 172.223 174.700 0.260 0.000 0.915 398 T CA -1.144 61.186 62.100 0.382 0.000 1.066 398 T CB 0.875 70.085 68.868 0.570 0.000 0.891 398 T HN 0.209 nan 8.240 nan 0.000 0.516 399 P HA 0.201 nan 4.420 nan 0.000 0.269 399 P C -0.504 176.840 177.300 0.074 0.000 1.215 399 P CA -0.327 62.811 63.100 0.063 0.000 0.780 399 P CB 0.415 32.105 31.700 -0.017 0.000 0.898 400 Q N -0.881 118.851 119.800 -0.114 0.000 2.578 400 Q HA 0.336 4.677 4.340 0.000 0.000 0.284 400 Q C -1.293 174.537 176.000 -0.284 0.000 0.960 400 Q CA -1.034 54.609 55.803 -0.266 0.000 0.809 400 Q CB 0.872 29.255 28.738 -0.591 0.000 1.462 400 Q HN 0.156 nan 8.270 nan 0.000 0.392 401 E N 2.295 122.334 120.200 -0.268 0.000 2.415 401 E HA 0.086 4.436 4.350 0.000 0.000 0.260 401 E C -0.628 175.655 176.600 -0.529 0.000 1.016 401 E CA 0.531 56.762 56.400 -0.282 0.000 0.924 401 E CB 0.402 30.003 29.700 -0.165 0.000 0.961 401 E HN 0.670 nan 8.360 nan 0.000 0.459 402 N N -0.559 117.769 118.700 -0.620 0.000 3.201 402 N HA 0.098 4.838 4.740 0.000 0.000 0.344 402 N C 0.572 175.802 175.510 -0.466 0.000 1.465 402 N CA -0.331 51.994 53.050 -1.208 0.000 0.731 402 N CB -0.168 37.695 38.487 -1.041 0.000 1.677 402 N HN 0.113 nan 8.380 nan 0.000 0.631 403 S N -2.074 113.486 115.700 -0.233 0.000 2.500 403 S HA -0.074 4.396 4.470 0.000 0.000 0.239 403 S C 0.032 174.636 174.600 0.005 0.000 0.989 403 S CA 0.995 59.199 58.200 0.007 0.000 0.951 403 S CB -0.487 62.771 63.200 0.097 0.000 0.759 403 S HN 0.539 nan 8.310 nan 0.000 0.523 404 D N 0.651 121.056 120.400 0.009 0.000 2.423 404 D HA 0.452 5.092 4.640 0.000 0.000 0.208 404 D C 1.183 177.605 176.300 0.202 0.000 1.068 404 D CA 0.979 55.040 54.000 0.101 0.000 0.860 404 D CB 0.793 41.634 40.800 0.069 0.000 0.992 404 D HN 0.583 nan 8.370 nan 0.000 0.504 405 G N 0.571 109.420 108.800 0.082 0.000 2.278 405 G HA2 -0.010 3.950 3.960 0.000 0.000 0.265 405 G HA3 -0.010 3.950 3.960 0.000 0.000 0.265 405 G C -1.324 173.409 174.900 -0.277 0.000 1.329 405 G CA -0.583 44.462 45.100 -0.092 0.000 1.017 405 G HN 0.028 nan 8.290 nan 0.000 0.472 406 M N 1.531 120.827 119.600 -0.508 0.000 2.557 406 M HA 0.723 5.203 4.480 0.000 0.000 0.328 406 M C -1.434 174.457 176.300 -0.682 0.000 1.423 406 M CA -0.390 54.635 55.300 -0.457 0.000 1.418 406 M CB -1.098 31.295 32.600 -0.345 0.000 1.381 406 M HN 0.457 nan 8.290 nan 0.000 0.467 407 Y N 1.599 121.809 120.300 -0.149 0.000 2.669 407 Y HA 0.664 5.214 4.550 0.000 0.000 0.335 407 Y C -0.219 175.591 175.900 -0.150 0.000 1.116 407 Y CA -1.299 56.714 58.100 -0.146 0.000 1.081 407 Y CB 0.990 39.360 38.460 -0.150 0.000 1.297 407 Y HN 0.586 nan 8.280 nan 0.000 0.484 408 R N -0.075 120.461 120.500 0.059 0.000 2.774 408 R HA 0.569 4.909 4.340 0.000 0.000 0.269 408 R C -1.201 175.073 176.300 -0.044 0.000 1.068 408 R CA -0.420 55.656 56.100 -0.040 0.000 1.180 408 R CB -0.333 29.884 30.300 -0.139 0.000 1.077 408 R HN 0.495 nan 8.270 nan 0.000 0.513 409 C N 0.715 119.987 119.300 -0.047 0.000 2.507 409 C HA 0.971 5.431 4.460 0.000 0.000 0.319 409 C C 0.411 175.398 174.990 -0.005 0.000 1.208 409 C CA 0.558 59.561 59.018 -0.025 0.000 1.619 409 C CB 0.749 28.480 27.740 -0.016 0.000 2.230 409 C HN 1.140 nan 8.230 nan 0.000 0.492 410 G N 3.598 112.433 108.800 0.059 0.000 2.479 410 G HA2 0.055 4.016 3.960 0.000 0.000 0.686 410 G HA3 0.055 4.016 3.960 0.000 0.000 0.686 410 G C -3.369 171.552 174.900 0.036 0.000 1.295 410 G CA -1.001 44.158 45.100 0.100 0.000 0.922 410 G HN 0.530 nan 8.290 nan 0.000 0.582 411 P HA 0.486 nan 4.420 nan 0.000 0.276 411 P C -0.219 177.233 177.300 0.254 0.000 1.243 411 P CA 0.594 63.807 63.100 0.188 0.000 0.768 411 P CB 1.299 33.098 31.700 0.164 0.000 0.856 412 A N 3.053 125.983 122.820 0.182 0.000 2.303 412 A HA 0.414 4.734 4.320 0.000 0.000 0.320 412 A C 0.426 178.084 177.584 0.124 0.000 1.192 412 A CA -0.690 51.435 52.037 0.147 0.000 0.821 412 A CB 0.661 19.742 19.000 0.135 0.000 1.188 412 A HN 0.481 nan 8.150 nan 0.000 0.492 413 S N 2.060 117.812 115.700 0.086 0.000 2.544 413 S HA 0.103 4.573 4.470 0.000 0.000 0.290 413 S C 1.289 175.953 174.600 0.106 0.000 1.276 413 S CA -0.235 58.020 58.200 0.092 0.000 1.075 413 S CB 0.099 63.355 63.200 0.093 0.000 0.849 413 S HN 0.769 nan 8.310 nan 0.000 0.494 414 V N 5.840 125.796 119.914 0.070 0.000 2.626 414 V HA -0.103 4.017 4.120 0.000 0.000 0.252 414 V C 2.633 178.748 176.094 0.035 0.000 1.067 414 V CA 1.424 63.681 62.300 -0.071 0.000 1.081 414 V CB -0.650 31.025 31.823 -0.247 0.000 0.686 414 V HN 0.775 nan 8.190 nan 0.000 0.468 415 Q N 0.052 119.949 119.800 0.163 0.000 2.046 415 Q HA -0.104 4.237 4.340 0.000 0.000 0.200 415 Q C 2.485 178.775 176.000 0.484 0.000 0.975 415 Q CA 1.943 57.920 55.803 0.290 0.000 0.836 415 Q CB -0.495 28.397 28.738 0.256 0.000 0.896 415 Q HN 0.633 nan 8.270 nan 0.000 0.428 416 A N 0.600 123.684 122.820 0.441 0.000 1.930 416 A HA -0.129 4.191 4.320 0.000 0.000 0.217 416 A C 2.150 179.950 177.584 0.360 0.000 1.175 416 A CA 0.983 53.234 52.037 0.357 0.000 0.627 416 A CB -0.616 18.346 19.000 -0.064 0.000 0.815 416 A HN 0.328 nan 8.150 nan 0.000 0.443 417 I N -0.576 120.168 120.570 0.289 0.000 2.226 417 I HA -0.261 3.909 4.170 0.000 0.000 0.245 417 I C 2.533 178.889 176.117 0.398 0.000 1.100 417 I CA 1.824 63.345 61.300 0.368 0.000 1.374 417 I CB -0.216 37.957 38.000 0.288 0.000 1.057 417 I HN 0.366 nan 8.210 nan 0.000 0.413 418 K N 0.372 120.928 120.400 0.260 0.000 2.097 418 K HA -0.207 4.113 4.320 0.000 0.000 0.206 418 K C 1.695 178.385 176.600 0.150 0.000 1.049 418 K CA 1.624 57.970 56.287 0.098 0.000 0.933 418 K CB -0.038 32.417 32.500 -0.076 0.000 0.717 418 K HN 0.386 nan 8.250 nan 0.000 0.442 419 H N -1.562 117.698 119.070 0.317 0.000 2.539 419 H HA 0.209 4.765 4.556 0.000 0.000 0.269 419 H C 0.906 176.294 175.328 0.099 0.000 0.980 419 H CA 0.682 56.925 56.048 0.325 0.000 1.152 419 H CB 0.959 30.973 29.762 0.419 0.000 1.407 419 H HN 0.505 nan 8.280 nan 0.000 0.564 420 G N 0.511 109.480 108.800 0.283 0.000 2.162 420 G HA2 -0.317 3.643 3.960 0.000 0.000 0.260 420 G HA3 -0.317 3.643 3.960 0.000 0.000 0.260 420 G C 0.018 174.862 174.900 -0.093 0.000 0.976 420 G CA 0.038 45.148 45.100 0.018 0.000 0.655 420 G HN 0.515 nan 8.290 nan 0.000 0.533 421 H N 0.851 120.014 119.070 0.156 0.000 2.966 421 H HA 0.274 4.831 4.556 0.000 0.000 0.217 421 H C 1.930 177.110 175.328 -0.245 0.000 1.906 421 H CA 0.727 56.765 56.048 -0.017 0.000 1.351 421 H CB -0.136 29.676 29.762 0.085 0.000 1.722 421 H HN 0.544 nan 8.280 nan 0.000 0.562 422 V N -1.037 118.788 119.914 -0.148 0.000 3.592 422 V HA -0.107 4.013 4.120 0.000 0.000 0.272 422 V C 2.058 177.949 176.094 -0.338 0.000 1.228 422 V CA 0.537 62.711 62.300 -0.210 0.000 1.173 422 V CB -1.475 30.197 31.823 -0.253 0.000 0.873 422 V HN 0.621 nan 8.190 nan 0.000 0.476 423 C N -1.877 117.004 119.300 -0.697 0.000 2.500 423 C HA 0.330 4.790 4.460 0.000 0.000 0.273 423 C C 0.891 175.450 174.990 -0.718 0.000 1.428 423 C CA -0.758 57.764 59.018 -0.827 0.000 1.766 423 C CB -1.933 24.968 27.740 -1.398 0.000 1.817 423 C HN 0.380 nan 8.230 nan 0.000 0.543 424 F N 3.327 123.054 119.950 -0.372 0.000 2.411 424 F HA 0.371 4.898 4.527 0.000 0.000 0.350 424 F C 0.994 176.593 175.800 -0.335 0.000 1.114 424 F CA -1.211 56.561 58.000 -0.380 0.000 1.135 424 F CB 0.347 39.047 39.000 -0.501 0.000 1.120 424 F HN 0.351 nan 8.300 nan 0.000 0.495 425 Q N 1.769 121.428 119.800 -0.235 0.000 2.479 425 Q HA 0.239 4.579 4.340 0.000 0.000 0.267 425 Q C -1.487 174.279 176.000 -0.391 0.000 1.071 425 Q CA 0.181 55.672 55.803 -0.519 0.000 0.935 425 Q CB 0.410 28.440 28.738 -1.180 0.000 1.295 425 Q HN 0.453 nan 8.270 nan 0.000 0.476 426 F N 0.376 120.339 119.950 0.022 0.000 2.480 426 F HA 0.207 4.734 4.527 0.000 0.000 0.329 426 F C 0.108 175.939 175.800 0.051 0.000 1.091 426 F CA -0.773 57.241 58.000 0.023 0.000 0.972 426 F CB 1.431 40.432 39.000 0.002 0.000 1.150 426 F HN 0.711 nan 8.300 nan 0.000 0.467 427 D N 0.873 121.416 120.400 0.238 0.000 2.792 427 D HA -0.282 4.358 4.640 0.000 0.000 0.231 427 D C 1.420 177.901 176.300 0.301 0.000 1.160 427 D CA 0.829 55.011 54.000 0.304 0.000 0.697 427 D CB -1.105 39.816 40.800 0.202 0.000 1.070 427 D HN 0.668 nan 8.370 nan 0.000 0.426 428 A N -0.047 122.863 122.820 0.151 0.000 1.917 428 A HA -0.122 4.198 4.320 0.000 0.000 0.219 428 A C -0.036 177.574 177.584 0.043 0.000 1.182 428 A CA 1.671 53.762 52.037 0.089 0.000 0.633 428 A CB -1.057 17.955 19.000 0.020 0.000 0.819 428 A HN 0.304 nan 8.150 nan 0.000 0.448 429 P HA -0.128 nan 4.420 nan 0.000 0.216 429 P C 0.893 177.983 177.300 -0.349 0.000 1.150 429 P CA 1.059 63.954 63.100 -0.342 0.000 0.837 429 P CB -0.188 31.128 31.700 -0.640 0.000 0.786 430 F N -1.642 118.316 119.950 0.013 0.000 2.325 430 F HA -0.090 4.437 4.527 0.000 0.000 0.299 430 F C 2.165 177.938 175.800 -0.045 0.000 1.090 430 F CA 0.793 58.776 58.000 -0.028 0.000 1.392 430 F CB -1.353 37.604 39.000 -0.071 0.000 1.053 430 F HN -0.250 nan 8.300 nan 0.000 0.521 431 V N -0.810 119.171 119.914 0.111 0.000 2.535 431 V HA -0.213 3.907 4.120 0.000 0.000 0.246 431 V C 2.091 178.242 176.094 0.096 0.000 1.045 431 V CA 1.103 63.395 62.300 -0.013 0.000 1.058 431 V CB -0.764 31.044 31.823 -0.025 0.000 0.689 431 V HN 0.284 nan 8.190 nan 0.000 0.461 432 F N 2.086 122.043 119.950 0.013 0.000 2.161 432 F HA -0.183 4.344 4.527 0.000 0.000 0.300 432 F C 2.223 178.038 175.800 0.024 0.000 1.089 432 F CA 1.543 59.571 58.000 0.046 0.000 1.282 432 F CB -0.332 38.676 39.000 0.014 0.000 1.010 432 F HN 0.086 nan 8.300 nan 0.000 0.485 433 A N -0.309 122.649 122.820 0.230 0.000 2.119 433 A HA -0.089 4.231 4.320 0.000 0.000 0.217 433 A C 2.082 179.686 177.584 0.033 0.000 1.153 433 A CA 1.204 53.310 52.037 0.114 0.000 0.692 433 A CB -0.612 18.424 19.000 0.060 0.000 0.799 433 A HN 0.465 nan 8.150 nan 0.000 0.458 434 E N -0.236 119.974 120.200 0.018 0.000 2.150 434 E HA -0.109 4.241 4.350 0.000 0.000 0.193 434 E C 1.844 178.492 176.600 0.081 0.000 0.985 434 E CA 1.719 58.140 56.400 0.035 0.000 0.814 434 E CB -0.072 29.626 29.700 -0.004 0.000 0.752 434 E HN 0.667 nan 8.360 nan 0.000 0.466 435 V N -2.349 117.584 119.914 0.031 0.000 3.605 435 V HA 0.272 4.392 4.120 0.000 0.000 0.284 435 V C 0.897 176.948 176.094 -0.072 0.000 1.386 435 V CA 0.080 62.386 62.300 0.011 0.000 1.053 435 V CB 0.232 32.060 31.823 0.009 0.000 0.857 435 V HN -0.006 nan 8.190 nan 0.000 0.436 436 N N 0.509 119.128 118.700 -0.136 0.000 2.170 436 N HA 0.273 5.013 4.740 0.000 0.000 0.222 436 N C 0.338 175.836 175.510 -0.020 0.000 1.218 436 N CA 0.102 53.059 53.050 -0.155 0.000 0.889 436 N CB 1.091 39.305 38.487 -0.455 0.000 1.083 436 N HN 0.387 nan 8.380 nan 0.000 0.520 437 S N 0.947 116.658 115.700 0.020 0.000 2.593 437 S HA 0.153 4.623 4.470 0.000 0.000 0.269 437 S C -0.123 174.501 174.600 0.040 0.000 1.334 437 S CA -0.007 58.216 58.200 0.038 0.000 1.015 437 S CB 0.953 64.175 63.200 0.037 0.000 0.912 437 S HN 0.089 nan 8.310 nan 0.000 0.541 438 D N 1.341 121.757 120.400 0.025 0.000 2.192 438 D HA 0.387 5.027 4.640 0.000 0.000 0.246 438 D C -0.374 175.908 176.300 -0.030 0.000 1.042 438 D CA -0.341 53.669 54.000 0.016 0.000 0.847 438 D CB 0.952 41.761 40.800 0.015 0.000 1.186 438 D HN 0.283 nan 8.370 nan 0.000 0.461 439 L N 2.569 123.761 121.223 -0.052 0.000 2.305 439 L HA 0.338 4.678 4.340 0.000 0.000 0.281 439 L C -0.216 176.515 176.870 -0.230 0.000 1.085 439 L CA -0.509 54.215 54.840 -0.194 0.000 0.813 439 L CB 0.711 42.619 42.059 -0.252 0.000 1.157 439 L HN 0.151 nan 8.230 nan 0.000 0.436 440 I N 3.860 124.236 120.570 -0.324 0.000 2.382 440 I HA 0.249 4.419 4.170 0.000 0.000 0.286 440 I C -0.491 175.400 176.117 -0.378 0.000 1.002 440 I CA -0.583 60.577 61.300 -0.234 0.000 1.135 440 I CB 1.119 39.016 38.000 -0.171 0.000 1.288 440 I HN 0.377 nan 8.210 nan 0.000 0.448 441 Y N 6.644 126.877 120.300 -0.112 0.000 2.350 441 Y HA 0.525 5.075 4.550 0.000 0.000 0.340 441 Y C 0.352 176.176 175.900 -0.127 0.000 1.006 441 Y CA -0.252 57.769 58.100 -0.131 0.000 1.166 441 Y CB 1.176 39.596 38.460 -0.066 0.000 1.168 441 Y HN 0.361 nan 8.280 nan 0.000 0.502 442 I N 2.661 123.188 120.570 -0.072 0.000 2.498 442 I HA 0.308 4.478 4.170 0.000 0.000 0.290 442 I C -0.423 175.733 176.117 0.064 0.000 1.032 442 I CA -0.707 60.579 61.300 -0.024 0.000 1.073 442 I CB 2.177 40.113 38.000 -0.107 0.000 1.251 442 I HN 0.466 nan 8.210 nan 0.000 0.426 443 T N 4.893 119.499 114.554 0.086 0.000 2.780 443 T HA 0.483 4.834 4.350 0.000 0.000 0.294 443 T C 0.137 174.914 174.700 0.129 0.000 0.949 443 T CA -0.454 61.700 62.100 0.090 0.000 1.074 443 T CB 1.056 69.964 68.868 0.068 0.000 0.910 443 T HN 0.645 nan 8.240 nan 0.000 0.501 444 A N 4.580 127.469 122.820 0.114 0.000 2.444 444 A HA 0.407 4.727 4.320 0.000 0.000 0.332 444 A C 0.452 178.105 177.584 0.115 0.000 1.430 444 A CA -0.748 51.381 52.037 0.154 0.000 0.975 444 A CB -0.037 18.965 19.000 0.002 0.000 1.147 444 A HN 0.787 nan 8.150 nan 0.000 0.524 445 K N 1.167 121.643 120.400 0.128 0.000 2.336 445 K HA 0.075 4.395 4.320 0.000 0.000 0.262 445 K C 0.649 177.270 176.600 0.034 0.000 0.992 445 K CA -0.012 56.311 56.287 0.061 0.000 0.927 445 K CB 0.877 33.408 32.500 0.052 0.000 0.956 445 K HN 0.612 nan 8.250 nan 0.000 0.495 446 K N 1.168 121.576 120.400 0.013 0.000 2.360 446 K HA -0.150 4.170 4.320 0.000 0.000 0.201 446 K C 1.073 177.668 176.600 -0.008 0.000 1.046 446 K CA 1.556 57.843 56.287 -0.001 0.000 0.945 446 K CB -0.004 32.493 32.500 -0.005 0.000 0.750 446 K HN 0.593 nan 8.250 nan 0.000 0.464 447 D N -1.230 119.165 120.400 -0.008 0.000 2.347 447 D HA -0.009 4.631 4.640 0.000 0.000 0.213 447 D C 1.260 177.538 176.300 -0.037 0.000 0.985 447 D CA 1.039 55.028 54.000 -0.019 0.000 0.879 447 D CB 0.345 41.136 40.800 -0.015 0.000 0.919 447 D HN 0.235 nan 8.370 nan 0.000 0.526 448 G N -0.216 108.558 108.800 -0.043 0.000 2.352 448 G HA2 -0.214 3.746 3.960 0.000 0.000 0.204 448 G HA3 -0.214 3.746 3.960 0.000 0.000 0.204 448 G C 0.560 175.347 174.900 -0.189 0.000 1.004 448 G CA 0.159 45.201 45.100 -0.098 0.000 0.648 448 G HN 0.713 nan 8.290 nan 0.000 0.491 449 T N -0.185 114.301 114.554 -0.113 0.000 2.813 449 T HA 0.577 4.927 4.350 0.000 0.000 0.297 449 T C -0.183 174.524 174.700 0.011 0.000 1.036 449 T CA 0.025 62.053 62.100 -0.120 0.000 1.044 449 T CB 1.542 70.391 68.868 -0.031 0.000 0.993 449 T HN 0.324 nan 8.240 nan 0.000 0.535 450 H N -0.459 118.630 119.070 0.032 0.000 2.538 450 H HA 0.659 5.215 4.556 0.000 0.000 0.353 450 H C -0.841 174.526 175.328 0.064 0.000 1.109 450 H CA -1.132 54.957 56.048 0.068 0.000 1.192 450 H CB 1.683 31.508 29.762 0.104 0.000 1.555 450 H HN 0.508 nan 8.280 nan 0.000 0.518 451 V N 3.537 123.568 119.914 0.195 0.000 2.483 451 V HA 0.157 4.277 4.120 0.000 0.000 0.297 451 V C -0.023 176.127 176.094 0.094 0.000 1.027 451 V CA -0.894 61.477 62.300 0.117 0.000 0.855 451 V CB 2.098 33.972 31.823 0.086 0.000 0.995 451 V HN 0.495 nan 8.190 nan 0.000 0.424 452 V N 5.376 125.336 119.914 0.077 0.000 2.446 452 V HA 0.171 4.291 4.120 0.000 0.000 0.276 452 V C 1.075 177.203 176.094 0.056 0.000 1.030 452 V CA 0.207 62.541 62.300 0.057 0.000 1.033 452 V CB 0.768 32.619 31.823 0.047 0.000 0.993 452 V HN 0.938 nan 8.190 nan 0.000 0.477 453 E N 3.607 123.846 120.200 0.065 0.000 2.079 453 E HA 0.097 4.447 4.350 0.000 0.000 0.191 453 E C 0.520 177.158 176.600 0.062 0.000 0.961 453 E CA 0.537 56.972 56.400 0.058 0.000 0.823 453 E CB 0.283 30.015 29.700 0.054 0.000 0.789 453 E HN 0.693 nan 8.360 nan 0.000 0.459 454 N N -0.685 118.082 118.700 0.112 0.000 2.357 454 N HA 0.312 5.052 4.740 0.000 0.000 0.284 454 N C -1.868 173.754 175.510 0.187 0.000 1.236 454 N CA -0.560 52.568 53.050 0.131 0.000 0.774 454 N CB 2.328 40.865 38.487 0.083 0.000 1.534 454 N HN -0.266 nan 8.380 nan 0.000 0.478 455 V N 1.797 121.797 119.914 0.142 0.000 2.488 455 V HA 0.315 4.435 4.120 0.000 0.000 0.293 455 V C -1.286 174.877 176.094 0.116 0.000 1.027 455 V CA -0.728 61.637 62.300 0.108 0.000 0.862 455 V CB 1.382 33.240 31.823 0.060 0.000 1.008 455 V HN 0.706 nan 8.190 nan 0.000 0.428 456 D N 4.223 124.702 120.400 0.131 0.000 2.427 456 D HA 0.536 5.176 4.640 0.000 0.000 0.226 456 D C 0.581 176.933 176.300 0.087 0.000 1.076 456 D CA -0.227 53.846 54.000 0.122 0.000 0.849 456 D CB 2.005 42.906 40.800 0.169 0.000 1.052 456 D HN 0.587 nan 8.370 nan 0.000 0.515 457 A N 2.774 125.642 122.820 0.079 0.000 2.337 457 A HA 0.115 4.435 4.320 0.000 0.000 0.227 457 A C 1.296 178.930 177.584 0.082 0.000 1.259 457 A CA 0.416 52.496 52.037 0.071 0.000 0.870 457 A CB -0.126 18.909 19.000 0.059 0.000 0.927 457 A HN 0.515 nan 8.150 nan 0.000 0.497 458 T N -5.337 109.279 114.554 0.104 0.000 3.145 458 T HA 0.191 4.541 4.350 0.000 0.000 0.281 458 T C 1.058 175.850 174.700 0.153 0.000 1.003 458 T CA 0.430 62.595 62.100 0.109 0.000 0.901 458 T CB -0.370 68.552 68.868 0.090 0.000 1.112 458 T HN 0.452 nan 8.240 nan 0.000 0.535 459 H N 1.082 120.176 119.070 0.039 0.000 2.361 459 H HA 0.480 5.036 4.556 0.000 0.000 0.308 459 H C 0.394 175.788 175.328 0.110 0.000 1.053 459 H CA 0.227 56.278 56.048 0.006 0.000 1.377 459 H CB -0.004 29.690 29.762 -0.114 0.000 1.434 459 H HN 0.331 nan 8.280 nan 0.000 0.548 460 I N 0.944 121.598 120.570 0.141 0.000 2.529 460 I HA 0.150 4.321 4.170 0.000 0.000 0.284 460 I C 1.042 177.234 176.117 0.126 0.000 1.082 460 I CA 0.707 62.095 61.300 0.147 0.000 1.406 460 I CB 1.160 39.245 38.000 0.141 0.000 1.405 460 I HN 0.658 nan 8.210 nan 0.000 0.548 461 G N 4.944 113.833 108.800 0.148 0.000 2.272 461 G HA2 -0.307 3.653 3.960 0.000 0.000 0.280 461 G HA3 -0.307 3.653 3.960 0.000 0.000 0.280 461 G C 0.917 175.861 174.900 0.075 0.000 1.067 461 G CA 0.482 45.634 45.100 0.086 0.000 0.902 461 G HN 0.797 nan 8.290 nan 0.000 0.500 462 K N -1.443 119.028 120.400 0.118 0.000 2.155 462 K HA 0.252 4.572 4.320 0.000 0.000 0.203 462 K C 0.714 177.337 176.600 0.039 0.000 1.052 462 K CA 0.911 57.253 56.287 0.092 0.000 0.948 462 K CB 0.015 32.605 32.500 0.149 0.000 0.728 462 K HN 0.491 nan 8.250 nan 0.000 0.448 463 L N 0.809 122.059 121.223 0.045 0.000 2.493 463 L HA 0.431 4.771 4.340 0.000 0.000 0.265 463 L C -1.804 175.086 176.870 0.033 0.000 0.954 463 L CA -0.471 54.380 54.840 0.020 0.000 0.844 463 L CB 2.035 44.078 42.059 -0.026 0.000 1.302 463 L HN -0.061 nan 8.230 nan 0.000 0.405 464 I N 5.955 126.487 120.570 -0.063 0.000 2.439 464 I HA 0.637 4.808 4.170 0.000 0.000 0.285 464 I C -0.415 175.601 176.117 -0.168 0.000 1.021 464 I CA -0.824 60.367 61.300 -0.183 0.000 1.091 464 I CB 1.835 39.662 38.000 -0.288 0.000 1.242 464 I HN 0.455 nan 8.210 nan 0.000 0.439 465 V N 1.758 121.551 119.914 -0.202 0.000 3.113 465 V HA 0.870 4.990 4.120 0.000 0.000 0.316 465 V C -0.520 175.452 176.094 -0.204 0.000 1.125 465 V CA -0.346 61.808 62.300 -0.243 0.000 1.026 465 V CB 2.102 33.686 31.823 -0.397 0.000 1.080 465 V HN 0.720 nan 8.190 nan 0.000 0.444 466 T N 0.609 115.065 114.554 -0.163 0.000 2.853 466 T HA 0.367 4.717 4.350 0.000 0.000 0.311 466 T C -0.935 173.875 174.700 0.182 0.000 1.307 466 T CA -0.684 61.435 62.100 0.033 0.000 1.019 466 T CB 1.818 70.641 68.868 -0.074 0.000 1.264 466 T HN 1.235 nan 8.240 nan 0.000 0.497 467 K N 2.527 123.156 120.400 0.382 0.000 2.436 467 K HA 0.160 4.481 4.320 0.000 0.000 0.275 467 K C 0.629 177.332 176.600 0.172 0.000 0.999 467 K CA -0.191 56.306 56.287 0.349 0.000 0.980 467 K CB 0.419 33.043 32.500 0.207 0.000 0.919 467 K HN 0.691 nan 8.250 nan 0.000 0.484 468 Q N 3.341 123.217 119.800 0.127 0.000 2.368 468 Q HA 0.167 4.507 4.340 0.000 0.000 0.237 468 Q C -0.275 175.738 176.000 0.021 0.000 0.987 468 Q CA -0.497 55.341 55.803 0.058 0.000 0.896 468 Q CB 0.675 29.433 28.738 0.034 0.000 1.241 468 Q HN 0.534 nan 8.270 nan 0.000 0.485 469 I N 1.737 122.293 120.570 -0.023 0.000 2.581 469 I HA 0.094 4.264 4.170 0.000 0.000 0.285 469 I C 0.957 177.032 176.117 -0.070 0.000 1.129 469 I CA 1.183 62.419 61.300 -0.107 0.000 1.397 469 I CB -0.013 37.904 38.000 -0.139 0.000 1.399 469 I HN 1.079 nan 8.210 nan 0.000 0.537 470 G N 4.208 112.963 108.800 -0.074 0.000 2.221 470 G HA2 -0.082 3.878 3.960 0.000 0.000 0.265 470 G HA3 -0.082 3.878 3.960 0.000 0.000 0.265 470 G C 0.197 175.090 174.900 -0.011 0.000 1.041 470 G CA -0.003 45.071 45.100 -0.042 0.000 0.807 470 G HN 1.207 nan 8.290 nan 0.000 0.502 471 G N -1.690 107.107 108.800 -0.004 0.000 2.489 471 G HA2 0.532 4.492 3.960 0.000 0.000 0.291 471 G HA3 0.532 4.492 3.960 0.000 0.000 0.291 471 G C -0.396 174.522 174.900 0.030 0.000 1.487 471 G CA 0.230 45.342 45.100 0.018 0.000 0.795 471 G HN -0.008 nan 8.290 nan 0.000 0.513 472 D N -0.109 120.314 120.400 0.038 0.000 2.340 472 D HA 0.212 4.853 4.640 0.000 0.000 0.220 472 D C 1.600 177.972 176.300 0.120 0.000 1.039 472 D CA 0.745 54.773 54.000 0.047 0.000 0.866 472 D CB 0.355 41.164 40.800 0.014 0.000 0.913 472 D HN 0.588 nan 8.370 nan 0.000 0.523 473 G N 0.634 109.500 108.800 0.110 0.000 2.599 473 G HA2 0.427 4.387 3.960 0.000 0.000 0.264 473 G HA3 0.427 4.387 3.960 0.000 0.000 0.264 473 G C 0.309 175.315 174.900 0.178 0.000 1.200 473 G CA -0.620 44.553 45.100 0.122 0.000 0.896 473 G HN 0.136 nan 8.290 nan 0.000 0.536 474 M N -0.289 119.319 119.600 0.014 0.000 2.367 474 M HA 0.681 5.161 4.480 0.000 0.000 0.339 474 M C -0.325 175.858 176.300 -0.195 0.000 1.177 474 M CA -0.496 54.630 55.300 -0.289 0.000 1.068 474 M CB 1.893 33.965 32.600 -0.878 0.000 1.602 474 M HN 0.365 nan 8.290 nan 0.000 0.457 475 M N 2.788 122.274 119.600 -0.190 0.000 2.181 475 M HA 0.296 4.776 4.480 0.000 0.000 0.323 475 M C -1.394 174.817 176.300 -0.148 0.000 1.004 475 M CA -0.516 54.716 55.300 -0.113 0.000 0.941 475 M CB 1.479 34.055 32.600 -0.041 0.000 1.579 475 M HN 0.850 nan 8.290 nan 0.000 0.427 476 D N 5.645 125.973 120.400 -0.119 0.000 2.336 476 D HA 0.215 4.855 4.640 0.000 0.000 0.249 476 D C 0.394 176.658 176.300 -0.060 0.000 1.213 476 D CA -0.161 53.775 54.000 -0.107 0.000 0.870 476 D CB 0.458 41.203 40.800 -0.092 0.000 1.076 476 D HN 0.692 nan 8.370 nan 0.000 0.483 477 I N 0.513 121.049 120.570 -0.055 0.000 3.927 477 I HA 0.142 4.313 4.170 0.000 0.000 0.332 477 I C 1.090 177.240 176.117 0.056 0.000 1.485 477 I CA -0.535 60.764 61.300 -0.001 0.000 1.131 477 I CB 0.219 38.212 38.000 -0.012 0.000 1.092 477 I HN 0.029 nan 8.210 nan 0.000 0.410 478 T N 1.788 116.351 114.554 0.015 0.000 2.737 478 T HA -0.220 4.130 4.350 0.000 0.000 0.269 478 T C 1.580 176.320 174.700 0.066 0.000 1.040 478 T CA 2.279 64.400 62.100 0.034 0.000 1.142 478 T CB -0.481 68.386 68.868 -0.001 0.000 0.861 478 T HN 0.697 nan 8.240 nan 0.000 0.456 479 D N 1.687 122.107 120.400 0.033 0.000 2.378 479 D HA -0.099 4.541 4.640 0.000 0.000 0.222 479 D C 1.881 178.160 176.300 -0.036 0.000 0.980 479 D CA 1.390 55.388 54.000 -0.004 0.000 0.907 479 D CB -0.529 40.273 40.800 0.004 0.000 0.899 479 D HN 0.571 nan 8.370 nan 0.000 0.527 480 T N -3.133 111.444 114.554 0.038 0.000 3.054 480 T HA -0.029 4.321 4.350 0.000 0.000 0.259 480 T C 1.672 176.324 174.700 -0.080 0.000 1.092 480 T CA 0.234 62.328 62.100 -0.009 0.000 1.121 480 T CB -0.531 68.349 68.868 0.019 0.000 0.912 480 T HN 0.085 nan 8.240 nan 0.000 0.489 481 Y N 2.515 122.797 120.300 -0.029 0.000 2.503 481 Y HA 0.376 4.926 4.550 0.000 0.000 0.277 481 Y C 0.916 176.757 175.900 -0.099 0.000 1.102 481 Y CA -0.113 57.983 58.100 -0.007 0.000 1.261 481 Y CB 0.445 38.932 38.460 0.045 0.000 1.096 481 Y HN 0.324 nan 8.280 nan 0.000 0.546 482 K N -1.357 119.040 120.400 -0.005 0.000 2.546 482 K HA 0.334 4.654 4.320 0.000 0.000 0.264 482 K C -1.406 175.110 176.600 -0.140 0.000 0.937 482 K CA -0.787 55.445 56.287 -0.092 0.000 0.833 482 K CB 1.126 33.617 32.500 -0.014 0.000 1.378 482 K HN -0.232 nan 8.250 nan 0.000 0.432 483 F N 1.211 121.163 119.950 0.004 0.000 2.426 483 F HA 0.121 4.648 4.527 0.000 0.000 0.309 483 F C 1.248 177.055 175.800 0.011 0.000 1.246 483 F CA 0.028 58.029 58.000 0.001 0.000 1.229 483 F CB 0.525 39.514 39.000 -0.018 0.000 1.255 483 F HN 0.581 nan 8.300 nan 0.000 0.558 484 Q N 1.105 121.056 119.800 0.252 0.000 2.337 484 Q HA 0.053 4.393 4.340 0.000 0.000 0.270 484 Q C -0.838 175.226 176.000 0.107 0.000 1.002 484 Q CA 0.083 55.967 55.803 0.135 0.000 0.888 484 Q CB 0.307 29.110 28.738 0.108 0.000 1.222 484 Q HN 0.425 nan 8.270 nan 0.000 0.400 485 E N 2.342 122.588 120.200 0.077 0.000 2.480 485 E HA 0.183 4.533 4.350 0.000 0.000 0.258 485 E C 0.621 177.251 176.600 0.050 0.000 0.984 485 E CA 0.764 57.202 56.400 0.063 0.000 0.930 485 E CB 0.156 29.888 29.700 0.054 0.000 0.936 485 E HN 0.933 nan 8.360 nan 0.000 0.466 486 G N 2.415 111.241 108.800 0.043 0.000 2.143 486 G HA2 -0.295 3.666 3.960 0.000 0.000 0.249 486 G HA3 -0.295 3.666 3.960 0.000 0.000 0.249 486 G C 0.215 175.125 174.900 0.017 0.000 0.981 486 G CA 0.110 45.227 45.100 0.028 0.000 0.665 486 G HN 0.442 nan 8.290 nan 0.000 0.528 487 Q N -0.493 119.318 119.800 0.019 0.000 2.212 487 Q HA 0.662 5.002 4.340 0.000 0.000 0.238 487 Q C 1.292 177.258 176.000 -0.056 0.000 0.955 487 Q CA 0.036 55.833 55.803 -0.011 0.000 0.906 487 Q CB 1.176 29.918 28.738 0.007 0.000 1.215 487 Q HN 0.220 nan 8.270 nan 0.000 0.478 488 E N 0.855 121.001 120.200 -0.091 0.000 2.047 488 E HA -0.194 4.156 4.350 0.000 0.000 0.191 488 E C 0.873 177.355 176.600 -0.196 0.000 0.987 488 E CA 1.719 58.052 56.400 -0.112 0.000 0.799 488 E CB 0.195 29.837 29.700 -0.097 0.000 0.752 488 E HN 0.677 nan 8.360 nan 0.000 0.449 489 E N 0.269 120.239 120.200 -0.384 0.000 2.160 489 E HA -0.214 4.136 4.350 0.000 0.000 0.195 489 E C 1.859 178.130 176.600 -0.549 0.000 0.991 489 E CA 1.468 57.424 56.400 -0.739 0.000 0.810 489 E CB -0.249 28.403 29.700 -1.746 0.000 0.742 489 E HN 0.565 nan 8.360 nan 0.000 0.466 490 E N 0.670 120.720 120.200 -0.251 0.000 2.106 490 E HA -0.171 4.179 4.350 0.000 0.000 0.192 490 E C 2.122 178.755 176.600 0.054 0.000 0.984 490 E CA 0.942 57.383 56.400 0.070 0.000 0.806 490 E CB -0.036 29.746 29.700 0.137 0.000 0.750 490 E HN -0.017 nan 8.360 nan 0.000 0.458 491 R N 0.401 120.897 120.500 -0.006 0.000 2.090 491 R HA -0.054 4.286 4.340 0.000 0.000 0.228 491 R C 2.188 178.489 176.300 0.001 0.000 1.110 491 R CA 1.082 57.186 56.100 0.008 0.000 0.973 491 R CB -0.477 29.817 30.300 -0.010 0.000 0.869 491 R HN 0.401 nan 8.270 nan 0.000 0.440 492 L N 1.050 122.253 121.223 -0.034 0.000 2.093 492 L HA -0.013 4.327 4.340 0.000 0.000 0.208 492 L C 2.279 179.151 176.870 0.003 0.000 1.085 492 L CA 2.011 56.833 54.840 -0.030 0.000 0.755 492 L CB -0.843 41.181 42.059 -0.057 0.000 0.904 492 L HN 0.180 nan 8.230 nan 0.000 0.435 493 A N -0.598 122.255 122.820 0.056 0.000 1.877 493 A HA -0.221 4.099 4.320 0.000 0.000 0.216 493 A C 2.252 179.932 177.584 0.160 0.000 1.186 493 A CA 1.945 54.074 52.037 0.153 0.000 0.620 493 A CB -1.046 18.143 19.000 0.316 0.000 0.822 493 A HN 0.473 nan 8.150 nan 0.000 0.443 494 L N -0.008 121.325 121.223 0.183 0.000 2.046 494 L HA -0.157 4.183 4.340 0.000 0.000 0.208 494 L C 2.145 179.029 176.870 0.023 0.000 1.077 494 L CA 2.440 57.388 54.840 0.180 0.000 0.747 494 L CB -0.577 41.572 42.059 0.151 0.000 0.896 494 L HN 0.523 nan 8.230 nan 0.000 0.432 495 E N -1.171 119.020 120.200 -0.015 0.000 2.072 495 E HA -0.174 4.176 4.350 0.000 0.000 0.191 495 E C 1.937 178.446 176.600 -0.152 0.000 0.985 495 E CA 1.655 58.012 56.400 -0.073 0.000 0.801 495 E CB -0.143 29.521 29.700 -0.060 0.000 0.750 495 E HN 0.555 nan 8.360 nan 0.000 0.452 496 T N 0.964 115.427 114.554 -0.150 0.000 2.746 496 T HA -0.170 4.180 4.350 0.000 0.000 0.267 496 T C 1.975 176.482 174.700 -0.321 0.000 1.039 496 T CA 1.220 63.175 62.100 -0.241 0.000 1.142 496 T CB -0.198 68.573 68.868 -0.163 0.000 0.866 496 T HN 0.226 nan 8.240 nan 0.000 0.444 497 A N 1.229 123.878 122.820 -0.285 0.000 1.933 497 A HA 0.049 4.369 4.320 0.000 0.000 0.218 497 A C 2.279 179.669 177.584 -0.323 0.000 1.175 497 A CA 1.089 52.871 52.037 -0.425 0.000 0.628 497 A CB -0.806 17.670 19.000 -0.873 0.000 0.814 497 A HN 0.483 nan 8.150 nan 0.000 0.444 498 L N -1.341 119.734 121.223 -0.247 0.000 2.131 498 L HA -0.141 4.199 4.340 0.000 0.000 0.210 498 L C 2.736 179.470 176.870 -0.227 0.000 1.092 498 L CA 1.147 55.873 54.840 -0.189 0.000 0.759 498 L CB -0.390 41.593 42.059 -0.126 0.000 0.903 498 L HN 0.416 nan 8.230 nan 0.000 0.435 499 M N -1.558 117.830 119.600 -0.353 0.000 2.319 499 M HA -0.148 4.333 4.480 0.000 0.000 0.265 499 M C 0.501 176.517 176.300 -0.474 0.000 1.068 499 M CA 1.459 56.473 55.300 -0.477 0.000 1.118 499 M CB 0.205 32.343 32.600 -0.769 0.000 1.395 499 M HN 0.153 nan 8.290 nan 0.000 0.435 500 Y N -0.805 119.388 120.300 -0.178 0.000 2.751 500 Y HA 0.435 4.985 4.550 0.000 0.000 0.289 500 Y C 1.166 176.943 175.900 -0.206 0.000 1.110 500 Y CA -0.113 57.868 58.100 -0.197 0.000 1.251 500 Y CB -0.035 38.276 38.460 -0.247 0.000 1.178 500 Y HN 0.328 nan 8.280 nan 0.000 0.540 501 G N -0.476 108.280 108.800 -0.074 0.000 2.278 501 G HA2 -0.130 3.830 3.960 0.000 0.000 0.210 501 G HA3 -0.130 3.830 3.960 0.000 0.000 0.210 501 G C 0.507 175.308 174.900 -0.164 0.000 1.000 501 G CA -0.372 44.662 45.100 -0.110 0.000 0.635 501 G HN 0.605 nan 8.290 nan 0.000 0.495 502 A N 1.023 123.722 122.820 -0.201 0.000 2.407 502 A HA 0.616 4.936 4.320 0.000 0.000 0.248 502 A C 0.515 178.026 177.584 -0.122 0.000 1.082 502 A CA 1.043 52.963 52.037 -0.196 0.000 0.785 502 A CB 0.291 19.143 19.000 -0.247 0.000 1.020 502 A HN 1.154 nan 8.150 nan 0.000 0.489 503 K N 1.160 121.509 120.400 -0.085 0.000 2.469 503 K HA 0.592 4.913 4.320 0.000 0.000 0.254 503 K C -1.455 175.130 176.600 -0.025 0.000 0.939 503 K CA -0.846 55.409 56.287 -0.053 0.000 0.812 503 K CB 2.029 34.500 32.500 -0.048 0.000 1.301 503 K HN 0.471 nan 8.250 nan 0.000 0.433 504 K N 2.604 122.993 120.400 -0.017 0.000 2.592 504 K HA 0.225 4.545 4.320 0.000 0.000 0.212 504 K C -2.213 174.386 176.600 -0.002 0.000 1.013 504 K CA -1.916 54.368 56.287 -0.004 0.000 1.034 504 K CB 1.509 34.010 32.500 0.000 0.000 1.292 504 K HN 0.377 nan 8.250 nan 0.000 0.521 505 P HA -0.198 nan 4.420 nan 0.000 0.214 505 P C -0.053 177.258 177.300 0.018 0.000 1.169 505 P CA 0.992 64.099 63.100 0.011 0.000 0.908 505 P CB 0.240 31.952 31.700 0.020 0.000 0.791 506 L N -0.485 120.750 121.223 0.019 0.000 2.418 506 L HA 0.208 4.548 4.340 0.000 0.000 0.265 506 L C 0.619 177.499 176.870 0.017 0.000 1.143 506 L CA -0.019 54.836 54.840 0.025 0.000 0.809 506 L CB -0.264 41.811 42.059 0.026 0.000 1.124 506 L HN -0.070 nan 8.230 nan 0.000 0.456 507 N N 0.107 118.819 118.700 0.021 0.000 2.438 507 N HA 0.234 4.974 4.740 0.000 0.000 0.282 507 N C -0.181 175.340 175.510 0.019 0.000 1.037 507 N CA -0.061 52.999 53.050 0.016 0.000 0.942 507 N CB 1.233 39.729 38.487 0.015 0.000 1.136 507 N HN 0.680 nan 8.380 nan 0.000 0.481 508 T N -0.124 114.440 114.554 0.017 0.000 3.308 508 T HA 0.199 4.549 4.350 0.000 0.000 0.270 508 T C 0.520 175.232 174.700 0.020 0.000 0.992 508 T CA -0.464 61.648 62.100 0.021 0.000 0.931 508 T CB -0.012 68.868 68.868 0.021 0.000 1.142 508 T HN 0.433 nan 8.240 nan 0.000 0.525 509 E N 1.291 121.502 120.200 0.017 0.000 2.122 509 E HA 0.174 4.524 4.350 0.000 0.000 0.190 509 E C 2.158 178.768 176.600 0.018 0.000 0.977 509 E CA 1.042 57.452 56.400 0.016 0.000 0.820 509 E CB -1.191 28.516 29.700 0.012 0.000 0.770 509 E HN 0.467 nan 8.360 nan 0.000 0.462 510 G N 0.920 109.732 108.800 0.020 0.000 2.598 510 G HA2 -0.146 3.815 3.960 0.000 0.000 0.215 510 G HA3 -0.146 3.815 3.960 0.000 0.000 0.215 510 G C 1.175 176.090 174.900 0.024 0.000 1.131 510 G CA 0.465 45.578 45.100 0.022 0.000 0.785 510 G HN 0.270 nan 8.290 nan 0.000 0.539 511 V N 1.298 121.228 119.914 0.026 0.000 3.570 511 V HA 0.139 4.259 4.120 0.000 0.000 0.293 511 V C 1.976 178.086 176.094 0.027 0.000 1.237 511 V CA 0.673 62.991 62.300 0.030 0.000 1.226 511 V CB -0.340 31.505 31.823 0.035 0.000 1.028 511 V HN 0.389 nan 8.190 nan 0.000 0.430 512 M N 0.246 119.860 119.600 0.023 0.000 2.700 512 M HA 0.030 4.511 4.480 0.000 0.000 0.249 512 M C 1.466 177.779 176.300 0.021 0.000 1.082 512 M CA 1.145 56.458 55.300 0.021 0.000 1.077 512 M CB -1.047 31.564 32.600 0.019 0.000 1.477 512 M HN 0.207 nan 8.290 nan 0.000 0.529 513 K N 0.124 120.537 120.400 0.022 0.000 2.878 513 K HA 0.074 4.395 4.320 0.000 0.000 0.242 513 K C 0.020 176.631 176.600 0.018 0.000 0.985 513 K CA 0.056 56.355 56.287 0.020 0.000 1.168 513 K CB -0.401 32.112 32.500 0.021 0.000 0.993 513 K HN 0.293 nan 8.250 nan 0.000 0.476 514 S N 1.030 116.742 115.700 0.020 0.000 3.009 514 S HA 0.022 4.492 4.470 0.000 0.000 0.243 514 S C 0.575 175.185 174.600 0.017 0.000 1.012 514 S CA 0.056 58.268 58.200 0.020 0.000 1.113 514 S CB -0.341 62.873 63.200 0.023 0.000 0.827 514 S HN 0.241 nan 8.310 nan 0.000 0.495 515 R N 2.494 123.001 120.500 0.012 0.000 4.980 515 R HA 0.130 4.470 4.340 0.000 0.000 0.190 515 R C -0.450 175.847 176.300 -0.005 0.000 2.095 515 R CA -0.067 56.039 56.100 0.009 0.000 1.717 515 R CB -1.347 28.957 30.300 0.007 0.000 1.337 515 R HN 0.015 nan 8.270 nan 0.000 0.820 516 S N 1.012 116.716 115.700 0.007 0.000 3.170 516 S HA 0.069 4.539 4.470 0.000 0.000 0.257 516 S C 0.561 175.175 174.600 0.023 0.000 1.284 516 S CA -0.598 57.605 58.200 0.006 0.000 0.973 516 S CB 0.049 63.257 63.200 0.013 0.000 1.330 516 S HN 0.659 nan 8.310 nan 0.000 0.493 517 N N 0.882 119.596 118.700 0.023 0.000 2.409 517 N HA 0.024 4.764 4.740 0.000 0.000 0.174 517 N C -0.058 175.494 175.510 0.070 0.000 1.037 517 N CA 0.003 53.093 53.050 0.066 0.000 0.898 517 N CB 0.178 38.732 38.487 0.112 0.000 1.010 517 N HN 0.271 nan 8.380 nan 0.000 0.445 518 V N 1.447 121.374 119.914 0.023 0.000 2.398 518 V HA 0.257 4.377 4.120 0.000 0.000 0.286 518 V C -0.758 175.369 176.094 0.056 0.000 1.026 518 V CA -0.855 61.471 62.300 0.044 0.000 0.868 518 V CB 1.388 33.191 31.823 -0.034 0.000 0.982 518 V HN 0.175 nan 8.190 nan 0.000 0.443 519 D N 4.832 125.283 120.400 0.086 0.000 2.163 519 D HA 0.558 5.199 4.640 0.000 0.000 0.248 519 D C -0.430 175.923 176.300 0.089 0.000 1.035 519 D CA -0.221 53.820 54.000 0.068 0.000 0.872 519 D CB 2.308 43.137 40.800 0.048 0.000 1.183 519 D HN 0.409 nan 8.370 nan 0.000 0.445 520 M N 1.798 121.424 119.600 0.043 0.000 2.433 520 M HA 0.345 4.825 4.480 0.000 0.000 0.290 520 M C -2.158 174.128 176.300 -0.023 0.000 1.173 520 M CA -0.459 54.823 55.300 -0.030 0.000 0.905 520 M CB 2.663 35.255 32.600 -0.013 0.000 1.692 520 M HN 0.332 nan 8.290 nan 0.000 0.462 521 D N 2.457 122.826 120.400 -0.052 0.000 2.694 521 D HA 0.651 5.291 4.640 0.000 0.000 0.260 521 D C -1.964 174.398 176.300 0.102 0.000 1.250 521 D CA -0.053 53.972 54.000 0.041 0.000 0.763 521 D CB 1.687 42.483 40.800 -0.007 0.000 1.311 521 D HN 0.467 nan 8.370 nan 0.000 0.420 522 F N -0.619 119.262 119.950 -0.114 0.000 2.662 522 F HA 0.815 5.342 4.527 0.000 0.000 0.312 522 F C -1.332 174.418 175.800 -0.083 0.000 1.113 522 F CA -0.815 57.109 58.000 -0.127 0.000 0.951 522 F CB 1.453 40.361 39.000 -0.154 0.000 1.344 522 F HN 0.046 nan 8.300 nan 0.000 0.462 523 E N 1.395 121.581 120.200 -0.024 0.000 2.288 523 E HA 0.637 4.987 4.350 0.000 0.000 0.268 523 E C -1.503 175.083 176.600 -0.024 0.000 0.885 523 E CA -1.029 55.304 56.400 -0.112 0.000 0.767 523 E CB 2.947 32.613 29.700 -0.056 0.000 1.220 523 E HN 0.547 nan 8.360 nan 0.000 0.427 524 V N 1.395 121.273 119.914 -0.060 0.000 2.483 524 V HA 0.168 4.288 4.120 0.000 0.000 0.297 524 V C 0.236 176.338 176.094 0.014 0.000 1.027 524 V CA -0.985 61.314 62.300 -0.001 0.000 0.855 524 V CB 1.370 33.160 31.823 -0.055 0.000 0.995 524 V HN 0.667 nan 8.190 nan 0.000 0.424 525 E N 3.427 123.675 120.200 0.079 0.000 2.404 525 E HA 0.160 4.510 4.350 0.000 0.000 0.261 525 E C -0.362 176.227 176.600 -0.018 0.000 1.074 525 E CA -0.491 55.936 56.400 0.044 0.000 0.917 525 E CB 0.696 30.447 29.700 0.085 0.000 0.965 525 E HN 0.701 nan 8.360 nan 0.000 0.433 526 N N 0.527 119.197 118.700 -0.049 0.000 2.475 526 N HA 0.271 5.011 4.740 0.000 0.000 0.267 526 N C -0.926 174.529 175.510 -0.091 0.000 1.169 526 N CA -0.055 52.936 53.050 -0.100 0.000 0.947 526 N CB 0.994 39.434 38.487 -0.080 0.000 1.061 526 N HN 0.613 nan 8.380 nan 0.000 0.466 527 A N 2.121 124.831 122.820 -0.183 0.000 2.386 527 A HA 0.665 4.985 4.320 0.000 0.000 0.308 527 A C -0.546 176.986 177.584 -0.087 0.000 1.128 527 A CA -0.613 51.354 52.037 -0.116 0.000 0.789 527 A CB 1.193 20.064 19.000 -0.215 0.000 1.325 527 A HN 0.406 nan 8.150 nan 0.000 0.437 528 V N 1.218 121.133 119.914 0.002 0.000 2.612 528 V HA 0.326 4.447 4.120 0.000 0.000 0.301 528 V C 0.232 176.367 176.094 0.069 0.000 1.046 528 V CA -0.546 61.766 62.300 0.020 0.000 0.946 528 V CB 1.496 33.342 31.823 0.037 0.000 1.003 528 V HN 0.874 nan 8.190 nan 0.000 0.459 529 L N 4.209 125.470 121.223 0.063 0.000 2.559 529 L HA 0.427 4.767 4.340 0.000 0.000 0.282 529 L C 1.241 178.218 176.870 0.179 0.000 1.232 529 L CA 1.929 56.848 54.840 0.132 0.000 0.885 529 L CB 0.328 42.444 42.059 0.095 0.000 1.131 529 L HN 1.007 nan 8.230 nan 0.000 0.498 530 G N 2.114 111.083 108.800 0.281 0.000 2.241 530 G HA2 -0.224 3.737 3.960 0.000 0.000 0.244 530 G HA3 -0.224 3.737 3.960 0.000 0.000 0.244 530 G C 0.236 175.233 174.900 0.160 0.000 0.998 530 G CA 0.174 45.370 45.100 0.160 0.000 0.621 530 G HN 0.543 nan 8.290 nan 0.000 0.519 531 K N 1.288 121.836 120.400 0.246 0.000 2.095 531 K HA 0.586 4.906 4.320 0.000 0.000 0.252 531 K C -0.325 176.486 176.600 0.352 0.000 0.977 531 K CA -0.787 55.635 56.287 0.225 0.000 0.900 531 K CB 0.869 33.478 32.500 0.182 0.000 1.060 531 K HN 0.156 nan 8.250 nan 0.000 0.449 532 D N 0.830 121.379 120.400 0.248 0.000 2.329 532 D HA 0.433 5.073 4.640 0.000 0.000 0.246 532 D C -0.041 176.460 176.300 0.336 0.000 1.111 532 D CA 0.098 54.241 54.000 0.239 0.000 0.941 532 D CB 0.304 41.163 40.800 0.098 0.000 1.169 532 D HN 0.331 nan 8.370 nan 0.000 0.441 533 F N -2.350 117.693 119.950 0.154 0.000 2.711 533 F HA 0.593 5.121 4.527 0.000 0.000 0.313 533 F C -0.993 174.856 175.800 0.081 0.000 1.141 533 F CA -1.200 56.862 58.000 0.103 0.000 0.941 533 F CB 1.298 40.355 39.000 0.096 0.000 1.349 533 F HN -0.074 nan 8.300 nan 0.000 0.464 534 K N 1.638 122.130 120.400 0.154 0.000 2.267 534 K HA 0.675 4.995 4.320 0.000 0.000 0.246 534 K C -1.939 174.709 176.600 0.080 0.000 0.954 534 K CA -1.136 55.165 56.287 0.023 0.000 0.824 534 K CB 2.374 34.887 32.500 0.023 0.000 1.167 534 K HN 0.655 nan 8.250 nan 0.000 0.431 535 L N 1.578 122.787 121.223 -0.024 0.000 2.356 535 L HA 0.442 4.783 4.340 0.000 0.000 0.277 535 L C -1.314 175.534 176.870 -0.036 0.000 0.996 535 L CA -0.162 54.657 54.840 -0.034 0.000 0.822 535 L CB 1.597 43.565 42.059 -0.151 0.000 1.256 535 L HN 0.516 nan 8.230 nan 0.000 0.413 536 S N 6.645 122.344 115.700 -0.001 0.000 2.566 536 S HA 0.598 5.068 4.470 0.000 0.000 0.324 536 S C -0.031 174.544 174.600 -0.042 0.000 1.081 536 S CA -0.431 57.744 58.200 -0.042 0.000 1.105 536 S CB 0.975 64.158 63.200 -0.027 0.000 0.981 536 S HN 0.524 nan 8.310 nan 0.000 0.464 537 I N 2.715 123.185 120.570 -0.168 0.000 2.428 537 I HA 0.311 4.481 4.170 0.000 0.000 0.289 537 I C 0.191 176.108 176.117 -0.334 0.000 1.019 537 I CA 0.019 61.154 61.300 -0.275 0.000 1.351 537 I CB 1.199 38.906 38.000 -0.488 0.000 1.412 537 I HN 0.405 nan 8.210 nan 0.000 0.513 538 T N 6.010 120.350 114.554 -0.357 0.000 2.906 538 T HA 0.490 4.840 4.350 0.000 0.000 0.302 538 T C -0.406 174.118 174.700 -0.292 0.000 1.002 538 T CA -0.420 61.547 62.100 -0.222 0.000 0.988 538 T CB 0.357 69.224 68.868 -0.001 0.000 0.972 538 T HN 0.080 nan 8.240 nan 0.000 0.447 539 F N 1.898 121.879 119.950 0.052 0.000 2.368 539 F HA 0.799 5.326 4.527 0.000 0.000 0.315 539 F C 0.823 176.715 175.800 0.154 0.000 1.145 539 F CA -1.100 56.940 58.000 0.067 0.000 1.095 539 F CB 0.848 39.861 39.000 0.022 0.000 1.286 539 F HN 0.284 nan 8.300 nan 0.000 0.530 540 R N 1.287 121.988 120.500 0.335 0.000 2.542 540 R HA 0.244 4.584 4.340 0.000 0.000 0.284 540 R C -1.844 174.574 176.300 0.197 0.000 1.167 540 R CA -0.454 55.801 56.100 0.258 0.000 1.000 540 R CB 0.502 30.893 30.300 0.153 0.000 1.229 540 R HN 0.513 nan 8.270 nan 0.000 0.416 541 N N 3.146 121.960 118.700 0.190 0.000 2.767 541 N HA 0.135 4.875 4.740 0.000 0.000 0.238 541 N C -0.523 175.056 175.510 0.115 0.000 1.083 541 N CA -0.158 52.997 53.050 0.175 0.000 0.964 541 N CB 0.682 39.278 38.487 0.181 0.000 1.252 541 N HN 0.519 nan 8.380 nan 0.000 0.512 542 N N 0.240 119.000 118.700 0.101 0.000 2.515 542 N HA -0.036 4.704 4.740 0.000 0.000 0.191 542 N C -0.426 175.128 175.510 0.074 0.000 1.182 542 N CA 0.167 53.255 53.050 0.063 0.000 0.879 542 N CB 0.133 38.651 38.487 0.053 0.000 0.984 542 N HN 0.536 nan 8.380 nan 0.000 0.453 543 S N -1.375 114.389 115.700 0.107 0.000 2.569 543 S HA 0.293 4.763 4.470 0.000 0.000 0.280 543 S C -0.697 173.960 174.600 0.096 0.000 1.111 543 S CA -0.932 57.358 58.200 0.150 0.000 0.887 543 S CB 1.193 64.514 63.200 0.201 0.000 1.095 543 S HN 0.171 nan 8.310 nan 0.000 0.476 544 H N 2.957 122.045 119.070 0.030 0.000 3.215 544 H HA 0.362 4.919 4.556 0.000 0.000 0.253 544 H C -0.115 175.177 175.328 -0.060 0.000 1.102 544 H CA 0.226 56.268 56.048 -0.010 0.000 1.482 544 H CB -0.248 29.509 29.762 -0.008 0.000 1.542 544 H HN 0.498 nan 8.280 nan 0.000 0.498 545 N N 2.258 120.917 118.700 -0.068 0.000 4.107 545 N HA 0.028 4.768 4.740 0.000 0.000 0.213 545 N C -1.276 173.952 175.510 -0.470 0.000 1.216 545 N CA -0.693 52.175 53.050 -0.305 0.000 0.925 545 N CB 2.163 40.377 38.487 -0.456 0.000 1.541 545 N HN 0.541 nan 8.380 nan 0.000 0.524 546 R N 1.783 121.952 120.500 -0.552 0.000 2.562 546 R HA 0.610 4.950 4.340 0.000 0.000 0.298 546 R C -1.314 174.650 176.300 -0.560 0.000 0.961 546 R CA -0.272 55.585 56.100 -0.404 0.000 0.881 546 R CB 0.894 31.076 30.300 -0.197 0.000 1.159 546 R HN 0.538 nan 8.270 nan 0.000 0.450 547 Y N 0.214 120.494 120.300 -0.034 0.000 2.553 547 Y HA 0.302 4.852 4.550 0.000 0.000 0.347 547 Y C -0.242 175.613 175.900 -0.074 0.000 1.019 547 Y CA -0.890 57.182 58.100 -0.046 0.000 1.032 547 Y CB 2.602 41.033 38.460 -0.047 0.000 1.284 547 Y HN 0.563 nan 8.280 nan 0.000 0.466 548 T N 0.914 115.536 114.554 0.113 0.000 2.788 548 T HA 0.765 5.115 4.350 0.000 0.000 0.296 548 T C -0.552 174.134 174.700 -0.022 0.000 1.009 548 T CA -0.461 61.646 62.100 0.012 0.000 0.949 548 T CB 0.037 68.906 68.868 0.002 0.000 0.946 548 T HN 0.450 nan 8.240 nan 0.000 0.453 549 I N 2.615 123.123 120.570 -0.103 0.000 2.562 549 I HA 0.463 4.634 4.170 0.000 0.000 0.301 549 I C -0.008 176.015 176.117 -0.156 0.000 1.003 549 I CA -0.915 60.291 61.300 -0.156 0.000 1.127 549 I CB 2.282 40.091 38.000 -0.318 0.000 1.304 549 I HN 0.592 nan 8.210 nan 0.000 0.446 550 T N 4.442 118.915 114.554 -0.134 0.000 2.815 550 T HA 0.639 4.989 4.350 0.000 0.000 0.289 550 T C -0.389 174.150 174.700 -0.269 0.000 1.000 550 T CA -0.533 61.436 62.100 -0.218 0.000 0.958 550 T CB 1.472 70.209 68.868 -0.218 0.000 0.944 550 T HN 0.665 nan 8.240 nan 0.000 0.442 551 A N 3.285 125.969 122.820 -0.227 0.000 2.325 551 A HA 0.853 5.174 4.320 0.000 0.000 0.333 551 A C -1.484 175.929 177.584 -0.284 0.000 1.155 551 A CA -0.717 51.301 52.037 -0.033 0.000 0.814 551 A CB 0.788 20.023 19.000 0.391 0.000 1.206 551 A HN 0.805 nan 8.150 nan 0.000 0.482 552 Y N 0.601 120.970 120.300 0.115 0.000 2.409 552 Y HA 0.576 5.126 4.550 0.000 0.000 0.343 552 Y C -0.362 175.570 175.900 0.053 0.000 0.973 552 Y CA -0.758 57.355 58.100 0.022 0.000 1.064 552 Y CB 2.081 40.532 38.460 -0.015 0.000 1.207 552 Y HN 0.615 nan 8.280 nan 0.000 0.452 553 L N 2.616 123.936 121.223 0.163 0.000 2.333 553 L HA 0.744 5.084 4.340 0.000 0.000 0.280 553 L C -0.643 176.292 176.870 0.109 0.000 1.004 553 L CA -0.130 54.791 54.840 0.134 0.000 0.820 553 L CB 1.781 43.937 42.059 0.163 0.000 1.247 553 L HN 0.538 nan 8.230 nan 0.000 0.416 554 S N 4.085 119.879 115.700 0.157 0.000 2.605 554 S HA 0.902 5.372 4.470 0.000 0.000 0.308 554 S C -0.894 173.799 174.600 0.154 0.000 1.113 554 S CA -0.152 58.133 58.200 0.141 0.000 1.049 554 S CB 1.018 64.338 63.200 0.200 0.000 1.001 554 S HN 1.015 nan 8.310 nan 0.000 0.480 555 A N 4.856 127.649 122.820 -0.046 0.000 2.304 555 A HA 0.787 5.107 4.320 0.000 0.000 0.314 555 A C -0.686 176.715 177.584 -0.304 0.000 1.187 555 A CA -0.806 51.080 52.037 -0.252 0.000 0.810 555 A CB 0.601 19.332 19.000 -0.449 0.000 1.183 555 A HN 0.837 nan 8.150 nan 0.000 0.487 556 N N 0.680 119.389 118.700 0.016 0.000 2.265 556 N HA 0.618 5.358 4.740 0.000 0.000 0.300 556 N C -1.156 174.566 175.510 0.353 0.000 1.148 556 N CA -0.514 52.696 53.050 0.267 0.000 0.772 556 N CB 1.882 40.500 38.487 0.219 0.000 1.434 556 N HN 0.564 nan 8.380 nan 0.000 0.481 557 I N 1.171 121.941 120.570 0.334 0.000 2.325 557 I HA 0.297 4.467 4.170 0.000 0.000 0.291 557 I C 0.364 176.561 176.117 0.133 0.000 1.019 557 I CA -0.126 61.272 61.300 0.163 0.000 1.302 557 I CB 0.718 38.786 38.000 0.113 0.000 1.401 557 I HN 0.642 nan 8.210 nan 0.000 0.485 558 T N 2.683 117.295 114.554 0.096 0.000 2.888 558 T HA 0.546 4.896 4.350 0.000 0.000 0.288 558 T C -0.509 174.255 174.700 0.108 0.000 1.063 558 T CA -0.656 61.507 62.100 0.103 0.000 1.010 558 T CB 1.658 70.567 68.868 0.067 0.000 1.214 558 T HN 0.159 nan 8.240 nan 0.000 0.533 559 F N 0.922 120.859 119.950 -0.022 0.000 2.380 559 F HA 0.414 4.941 4.527 0.000 0.000 0.319 559 F C 1.511 177.298 175.800 -0.022 0.000 1.113 559 F CA -0.986 57.012 58.000 -0.004 0.000 1.056 559 F CB 1.005 39.962 39.000 -0.071 0.000 1.289 559 F HN 0.809 nan 8.300 nan 0.000 0.515 560 Y N -0.766 119.456 120.300 -0.129 0.000 2.421 560 Y HA -0.048 4.502 4.550 0.000 0.000 0.292 560 Y C 1.917 177.706 175.900 -0.185 0.000 1.136 560 Y CA 1.157 59.192 58.100 -0.108 0.000 1.255 560 Y CB -1.901 36.473 38.460 -0.142 0.000 0.991 560 Y HN 0.480 nan 8.280 nan 0.000 0.552 561 T N -3.375 110.656 114.554 -0.872 0.000 3.113 561 T HA 0.305 4.656 4.350 0.000 0.000 0.263 561 T C 1.802 176.098 174.700 -0.673 0.000 1.143 561 T CA 0.698 61.929 62.100 -1.448 0.000 1.090 561 T CB -0.634 67.210 68.868 -1.707 0.000 0.922 561 T HN 0.909 nan 8.240 nan 0.000 0.521 562 G N 0.469 109.108 108.800 -0.267 0.000 2.213 562 G HA2 -0.245 3.715 3.960 0.000 0.000 0.236 562 G HA3 -0.245 3.715 3.960 0.000 0.000 0.236 562 G C 0.114 174.945 174.900 -0.116 0.000 0.991 562 G CA -0.178 44.843 45.100 -0.133 0.000 0.629 562 G HN 0.697 nan 8.290 nan 0.000 0.517 563 V N 4.321 124.157 119.914 -0.130 0.000 2.450 563 V HA 0.333 4.453 4.120 0.000 0.000 0.281 563 V C -0.952 175.147 176.094 0.010 0.000 1.019 563 V CA -0.333 61.919 62.300 -0.080 0.000 1.062 563 V CB 0.779 32.506 31.823 -0.159 0.000 0.979 563 V HN 0.364 nan 8.190 nan 0.000 0.477 564 P HA 0.219 nan 4.420 nan 0.000 0.279 564 P C -0.022 177.325 177.300 0.079 0.000 1.239 564 P CA -0.474 62.672 63.100 0.076 0.000 0.789 564 P CB 1.772 33.532 31.700 0.099 0.000 0.933 565 K N 1.836 122.300 120.400 0.107 0.000 2.287 565 K HA 0.348 4.668 4.320 0.000 0.000 0.199 565 K C 0.068 176.729 176.600 0.102 0.000 1.061 565 K CA 0.313 56.658 56.287 0.097 0.000 0.976 565 K CB 0.534 33.103 32.500 0.114 0.000 0.898 565 K HN 0.619 nan 8.250 nan 0.000 0.492 566 A N 1.007 123.910 122.820 0.138 0.000 2.594 566 A HA 0.244 4.564 4.320 0.000 0.000 0.296 566 A C -1.813 175.897 177.584 0.210 0.000 1.056 566 A CA -0.705 51.424 52.037 0.152 0.000 0.693 566 A CB 1.260 20.351 19.000 0.151 0.000 1.278 566 A HN 0.194 nan 8.150 nan 0.000 0.408 567 E N 1.298 121.599 120.200 0.167 0.000 2.130 567 E HA 0.462 4.812 4.350 0.000 0.000 0.284 567 E C -0.046 176.654 176.600 0.167 0.000 1.018 567 E CA -0.462 56.020 56.400 0.137 0.000 0.817 567 E CB 0.290 30.034 29.700 0.072 0.000 1.078 567 E HN 0.647 nan 8.360 nan 0.000 0.396 568 F N 3.718 123.736 119.950 0.113 0.000 2.749 568 F HA 0.427 4.955 4.527 0.000 0.000 0.300 568 F C 0.084 175.958 175.800 0.124 0.000 1.103 568 F CA -0.566 57.507 58.000 0.121 0.000 1.342 568 F CB 0.448 39.543 39.000 0.157 0.000 1.098 568 F HN 0.134 nan 8.300 nan 0.000 0.586 569 K N 1.224 121.382 120.400 -0.403 0.000 2.557 569 K HA 0.381 4.701 4.320 0.000 0.000 0.257 569 K C -1.841 174.656 176.600 -0.170 0.000 0.933 569 K CA -0.654 55.475 56.287 -0.263 0.000 0.820 569 K CB 2.111 34.403 32.500 -0.346 0.000 1.330 569 K HN 0.116 nan 8.250 nan 0.000 0.432 570 K N 2.710 123.063 120.400 -0.079 0.000 2.468 570 K HA 0.355 4.675 4.320 0.000 0.000 0.252 570 K C -1.462 175.091 176.600 -0.078 0.000 0.932 570 K CA -0.605 55.652 56.287 -0.050 0.000 0.794 570 K CB 1.645 34.129 32.500 -0.026 0.000 1.241 570 K HN 0.506 nan 8.250 nan 0.000 0.428 571 E N 1.681 121.809 120.200 -0.121 0.000 2.343 571 E HA 0.301 4.651 4.350 0.000 0.000 0.278 571 E C -1.355 174.925 176.600 -0.535 0.000 0.910 571 E CA -0.711 55.492 56.400 -0.328 0.000 0.757 571 E CB 2.485 31.961 29.700 -0.373 0.000 1.218 571 E HN 0.605 nan 8.360 nan 0.000 0.435 572 T N 1.579 115.722 114.554 -0.686 0.000 2.885 572 T HA 0.712 5.062 4.350 0.000 0.000 0.285 572 T C -0.735 173.398 174.700 -0.945 0.000 1.019 572 T CA -0.518 61.167 62.100 -0.692 0.000 1.010 572 T CB 0.513 69.165 68.868 -0.360 0.000 1.022 572 T HN 0.193 nan 8.240 nan 0.000 0.466 573 F N 0.865 120.692 119.950 -0.204 0.000 2.547 573 F HA 0.377 4.904 4.527 0.000 0.000 0.316 573 F C 0.011 175.704 175.800 -0.179 0.000 1.121 573 F CA -1.136 56.783 58.000 -0.135 0.000 0.911 573 F CB 1.722 40.687 39.000 -0.058 0.000 1.179 573 F HN 0.416 nan 8.300 nan 0.000 0.443 574 D N 3.287 123.704 120.400 0.028 0.000 2.454 574 D HA 0.373 5.013 4.640 0.000 0.000 0.225 574 D C -0.750 175.519 176.300 -0.052 0.000 1.081 574 D CA 0.075 54.047 54.000 -0.047 0.000 0.864 574 D CB 2.114 42.884 40.800 -0.050 0.000 1.040 574 D HN 0.145 nan 8.370 nan 0.000 0.517 575 V N 1.973 121.807 119.914 -0.133 0.000 2.547 575 V HA 0.433 4.553 4.120 0.000 0.000 0.299 575 V C 0.437 176.420 176.094 -0.185 0.000 1.040 575 V CA -0.275 61.901 62.300 -0.206 0.000 0.913 575 V CB 2.127 33.663 31.823 -0.478 0.000 0.992 575 V HN 0.419 nan 8.190 nan 0.000 0.449 576 T N 6.009 120.483 114.554 -0.133 0.000 2.906 576 T HA 0.541 4.892 4.350 0.000 0.000 0.302 576 T C -0.644 174.010 174.700 -0.076 0.000 1.002 576 T CA -0.326 61.723 62.100 -0.085 0.000 0.988 576 T CB 0.695 69.529 68.868 -0.056 0.000 0.972 576 T HN 0.628 nan 8.240 nan 0.000 0.447 577 L N 0.381 121.571 121.223 -0.055 0.000 2.346 577 L HA 0.848 5.188 4.340 0.000 0.000 0.274 577 L C -0.049 176.814 176.870 -0.011 0.000 1.007 577 L CA -1.121 53.704 54.840 -0.025 0.000 0.818 577 L CB 1.401 43.461 42.059 0.001 0.000 1.284 577 L HN 0.212 nan 8.230 nan 0.000 0.424 578 E N 1.667 121.858 120.200 -0.016 0.000 2.369 578 E HA 0.364 4.714 4.350 0.000 0.000 0.255 578 E C -2.376 174.210 176.600 -0.024 0.000 1.172 578 E CA -1.973 54.409 56.400 -0.031 0.000 0.932 578 E CB 0.127 29.811 29.700 -0.026 0.000 1.040 578 E HN 0.494 nan 8.360 nan 0.000 0.454 579 P HA -0.007 nan 4.420 nan 0.000 0.268 579 P C 0.011 177.275 177.300 -0.060 0.000 1.205 579 P CA -0.076 62.984 63.100 -0.066 0.000 0.771 579 P CB 0.374 32.023 31.700 -0.085 0.000 0.858 580 L N -0.873 120.311 121.223 -0.065 0.000 3.970 580 L HA -0.224 4.116 4.340 0.000 0.000 0.425 580 L C 0.360 177.245 176.870 0.024 0.000 1.162 580 L CA 1.447 56.252 54.840 -0.057 0.000 0.968 580 L CB -3.416 38.549 42.059 -0.157 0.000 1.896 580 L HN 0.548 nan 8.230 nan 0.000 1.006 581 S N -0.535 115.207 115.700 0.070 0.000 2.568 581 S HA 0.855 5.325 4.470 0.000 0.000 0.302 581 S C -0.560 174.178 174.600 0.230 0.000 1.082 581 S CA -0.767 57.513 58.200 0.133 0.000 1.009 581 S CB 2.929 66.167 63.200 0.064 0.000 1.069 581 S HN 0.344 nan 8.310 nan 0.000 0.500 582 F N 0.453 120.421 119.950 0.030 0.000 2.493 582 F HA 0.764 5.291 4.527 0.000 0.000 0.329 582 F C -0.523 175.313 175.800 0.061 0.000 1.126 582 F CA -1.123 56.911 58.000 0.056 0.000 0.937 582 F CB 1.173 40.200 39.000 0.044 0.000 1.146 582 F HN 0.725 nan 8.300 nan 0.000 0.442 583 K N 3.818 124.185 120.400 -0.056 0.000 2.098 583 K HA 0.520 4.840 4.320 0.000 0.000 0.258 583 K C -1.205 175.347 176.600 -0.081 0.000 0.973 583 K CA -0.991 55.223 56.287 -0.122 0.000 0.898 583 K CB 1.424 33.938 32.500 0.023 0.000 1.057 583 K HN 0.880 nan 8.250 nan 0.000 0.447 584 K N 2.097 122.412 120.400 -0.141 0.000 2.468 584 K HA 0.228 4.548 4.320 0.000 0.000 0.252 584 K C -1.407 175.130 176.600 -0.105 0.000 0.932 584 K CA -0.594 55.623 56.287 -0.117 0.000 0.794 584 K CB 1.534 33.935 32.500 -0.165 0.000 1.241 584 K HN 0.448 nan 8.250 nan 0.000 0.428 585 E N 1.920 122.033 120.200 -0.146 0.000 2.224 585 E HA 0.433 4.783 4.350 0.000 0.000 0.265 585 E C -1.451 175.017 176.600 -0.221 0.000 0.878 585 E CA -0.732 55.537 56.400 -0.218 0.000 0.759 585 E CB 2.091 31.552 29.700 -0.398 0.000 1.164 585 E HN 0.696 nan 8.360 nan 0.000 0.414 586 A N 2.586 125.314 122.820 -0.153 0.000 2.330 586 A HA 0.678 4.998 4.320 0.000 0.000 0.327 586 A C -0.542 176.996 177.584 -0.078 0.000 1.155 586 A CA -0.607 51.368 52.037 -0.104 0.000 0.803 586 A CB 1.018 19.982 19.000 -0.061 0.000 1.208 586 A HN 0.295 nan 8.150 nan 0.000 0.477 587 V N 2.434 122.311 119.914 -0.062 0.000 2.604 587 V HA 0.503 4.623 4.120 0.000 0.000 0.305 587 V C -0.691 175.373 176.094 -0.051 0.000 1.043 587 V CA -0.572 61.719 62.300 -0.015 0.000 0.888 587 V CB 1.551 33.389 31.823 0.024 0.000 0.995 587 V HN 0.841 nan 8.190 nan 0.000 0.429 588 L N 5.613 126.812 121.223 -0.040 0.000 2.280 588 L HA 0.671 5.011 4.340 0.000 0.000 0.287 588 L C -0.771 176.034 176.870 -0.108 0.000 1.023 588 L CA 0.166 54.959 54.840 -0.078 0.000 0.819 588 L CB 0.959 42.998 42.059 -0.034 0.000 1.212 588 L HN 0.541 nan 8.230 nan 0.000 0.420 589 I N 4.730 125.141 120.570 -0.266 0.000 2.304 589 I HA 0.334 4.504 4.170 0.000 0.000 0.291 589 I C 0.204 176.248 176.117 -0.121 0.000 1.018 589 I CA 0.031 61.199 61.300 -0.220 0.000 1.260 589 I CB 1.209 38.917 38.000 -0.487 0.000 1.390 589 I HN 0.606 nan 8.210 nan 0.000 0.475 590 Q N 3.780 123.586 119.800 0.011 0.000 2.259 590 Q HA 0.450 4.790 4.340 0.000 0.000 0.246 590 Q C 1.223 177.214 176.000 -0.016 0.000 0.920 590 Q CA -0.258 55.555 55.803 0.016 0.000 0.895 590 Q CB 1.523 30.262 28.738 0.002 0.000 1.220 590 Q HN 0.830 nan 8.270 nan 0.000 0.439 591 A N 2.388 125.157 122.820 -0.086 0.000 1.917 591 A HA -0.204 4.116 4.320 0.000 0.000 0.219 591 A C 1.919 179.151 177.584 -0.587 0.000 1.182 591 A CA 2.092 53.857 52.037 -0.454 0.000 0.633 591 A CB -1.249 17.626 19.000 -0.207 0.000 0.819 591 A HN 0.983 nan 8.150 nan 0.000 0.448 592 G N -0.755 107.895 108.800 -0.250 0.000 2.501 592 G HA2 -0.187 3.773 3.960 0.000 0.000 0.220 592 G HA3 -0.187 3.773 3.960 0.000 0.000 0.220 592 G C 1.321 176.147 174.900 -0.122 0.000 1.114 592 G CA 0.985 45.985 45.100 -0.167 0.000 0.757 592 G HN 0.726 nan 8.290 nan 0.000 0.559 593 E N -0.897 119.256 120.200 -0.079 0.000 2.158 593 E HA -0.045 4.305 4.350 0.000 0.000 0.191 593 E C 1.936 178.604 176.600 0.113 0.000 0.982 593 E CA 1.121 57.591 56.400 0.117 0.000 0.823 593 E CB -0.079 29.802 29.700 0.302 0.000 0.766 593 E HN 0.834 nan 8.360 nan 0.000 0.468 594 Y N -1.756 118.511 120.300 -0.055 0.000 2.535 594 Y HA 0.329 4.879 4.550 0.000 0.000 0.264 594 Y C 0.838 176.655 175.900 -0.139 0.000 1.087 594 Y CA -0.660 57.256 58.100 -0.307 0.000 1.285 594 Y CB -0.036 38.068 38.460 -0.593 0.000 1.200 594 Y HN -0.233 nan 8.280 nan 0.000 0.514 595 M N 2.067 121.430 119.600 -0.395 0.000 2.245 595 M HA 0.173 4.653 4.480 0.000 0.000 0.335 595 M C 1.565 177.839 176.300 -0.042 0.000 1.155 595 M CA 1.512 56.720 55.300 -0.154 0.000 1.055 595 M CB -0.345 32.104 32.600 -0.252 0.000 1.670 595 M HN 0.842 nan 8.290 nan 0.000 0.447 596 G N 2.605 111.413 108.800 0.013 0.000 2.205 596 G HA2 -0.276 3.684 3.960 0.000 0.000 0.261 596 G HA3 -0.276 3.684 3.960 0.000 0.000 0.261 596 G C 0.730 175.651 174.900 0.034 0.000 0.980 596 G CA 0.489 45.600 45.100 0.019 0.000 0.632 596 G HN 0.686 nan 8.290 nan 0.000 0.533 597 Q N -0.704 119.122 119.800 0.043 0.000 2.214 597 Q HA 0.392 4.732 4.340 0.000 0.000 0.229 597 Q C 1.150 177.179 176.000 0.049 0.000 0.835 597 Q CA -0.329 55.504 55.803 0.050 0.000 0.953 597 Q CB 0.765 29.537 28.738 0.056 0.000 1.131 597 Q HN 0.558 nan 8.270 nan 0.000 0.501 598 L N 1.728 122.982 121.223 0.052 0.000 2.506 598 L HA 0.052 4.392 4.340 0.000 0.000 0.281 598 L C 0.070 176.958 176.870 0.028 0.000 1.228 598 L CA 0.362 55.222 54.840 0.032 0.000 0.850 598 L CB 0.252 42.340 42.059 0.049 0.000 1.110 598 L HN 0.063 nan 8.230 nan 0.000 0.496 599 L N 1.686 122.911 121.223 0.003 0.000 2.332 599 L HA 0.331 4.671 4.340 0.000 0.000 0.269 599 L C 0.358 177.178 176.870 -0.083 0.000 1.016 599 L CA -0.862 53.972 54.840 -0.011 0.000 0.809 599 L CB 1.375 43.434 42.059 -0.001 0.000 1.280 599 L HN 0.628 nan 8.230 nan 0.000 0.447 600 E N 1.119 121.257 120.200 -0.102 0.000 2.452 600 E HA -0.055 4.296 4.350 0.000 0.000 0.261 600 E C -0.506 175.938 176.600 -0.260 0.000 0.987 600 E CA -0.021 56.310 56.400 -0.115 0.000 0.926 600 E CB 0.576 30.259 29.700 -0.028 0.000 0.934 600 E HN 0.642 nan 8.360 nan 0.000 0.452 601 Q N 0.812 120.479 119.800 -0.222 0.000 2.393 601 Q HA -0.243 4.097 4.340 0.000 0.000 0.181 601 Q C 0.219 176.154 176.000 -0.108 0.000 0.594 601 Q CA 0.520 56.157 55.803 -0.275 0.000 1.339 601 Q CB -1.980 26.492 28.738 -0.442 0.000 1.164 601 Q HN 1.246 nan 8.270 nan 0.000 0.974 602 A N 0.639 123.405 122.820 -0.090 0.000 2.364 602 A HA -0.202 4.118 4.320 0.000 0.000 0.288 602 A C 0.233 177.765 177.584 -0.087 0.000 1.433 602 A CA 1.486 53.476 52.037 -0.078 0.000 0.757 602 A CB -1.176 17.788 19.000 -0.059 0.000 1.098 602 A HN 0.529 nan 8.150 nan 0.000 0.380 603 S N -0.632 115.028 115.700 -0.066 0.000 2.541 603 S HA 0.801 5.271 4.470 0.000 0.000 0.283 603 S C -0.164 174.421 174.600 -0.025 0.000 1.196 603 S CA -0.534 57.655 58.200 -0.018 0.000 1.062 603 S CB 0.443 63.662 63.200 0.031 0.000 1.009 603 S HN 0.717 nan 8.310 nan 0.000 0.502 604 L N 3.565 124.779 121.223 -0.015 0.000 2.401 604 L HA 0.524 4.865 4.340 0.000 0.000 0.266 604 L C -0.877 175.902 176.870 -0.151 0.000 0.991 604 L CA -0.927 53.869 54.840 -0.074 0.000 0.818 604 L CB 2.171 44.184 42.059 -0.077 0.000 1.321 604 L HN 0.746 nan 8.230 nan 0.000 0.413 605 H N 1.561 120.401 119.070 -0.383 0.000 2.538 605 H HA 0.670 5.226 4.556 0.000 0.000 0.353 605 H C -1.702 173.266 175.328 -0.600 0.000 1.109 605 H CA -0.438 55.398 56.048 -0.352 0.000 1.192 605 H CB 1.452 31.115 29.762 -0.165 0.000 1.555 605 H HN 0.266 nan 8.280 nan 0.000 0.518 606 F N 4.502 124.167 119.950 -0.475 0.000 2.493 606 F HA 0.381 4.908 4.527 0.000 0.000 0.329 606 F C -1.083 174.512 175.800 -0.342 0.000 1.126 606 F CA -0.679 57.204 58.000 -0.195 0.000 0.937 606 F CB 1.003 40.097 39.000 0.157 0.000 1.146 606 F HN 0.383 nan 8.300 nan 0.000 0.442 607 F N 2.455 122.451 119.950 0.076 0.000 2.427 607 F HA 0.663 5.191 4.527 0.000 0.000 0.346 607 F C -0.382 175.394 175.800 -0.039 0.000 1.120 607 F CA -1.120 56.922 58.000 0.071 0.000 1.033 607 F CB 1.850 40.923 39.000 0.122 0.000 1.126 607 F HN 0.042 nan 8.300 nan 0.000 0.462 608 V N 2.974 122.944 119.914 0.092 0.000 2.380 608 V HA 0.402 4.522 4.120 0.000 0.000 0.286 608 V C -0.443 175.677 176.094 0.044 0.000 1.015 608 V CA -0.712 61.535 62.300 -0.088 0.000 0.834 608 V CB 1.639 33.121 31.823 -0.569 0.000 1.009 608 V HN 0.822 nan 8.190 nan 0.000 0.428 609 T N 1.877 116.500 114.554 0.115 0.000 2.855 609 T HA 0.918 5.268 4.350 0.000 0.000 0.281 609 T C -0.329 174.486 174.700 0.192 0.000 1.007 609 T CA -0.617 61.544 62.100 0.101 0.000 1.009 609 T CB 2.261 71.169 68.868 0.067 0.000 0.983 609 T HN 0.961 nan 8.240 nan 0.000 0.455 610 A N 2.044 124.944 122.820 0.134 0.000 2.422 610 A HA 0.822 5.142 4.320 0.000 0.000 0.302 610 A C -0.602 177.039 177.584 0.095 0.000 1.041 610 A CA -1.088 51.039 52.037 0.150 0.000 0.708 610 A CB 1.746 20.869 19.000 0.204 0.000 1.257 610 A HN 0.830 nan 8.150 nan 0.000 0.414 611 R N 2.264 122.818 120.500 0.089 0.000 2.360 611 R HA 0.591 4.931 4.340 0.000 0.000 0.318 611 R C -1.436 174.861 176.300 -0.005 0.000 0.950 611 R CA -0.449 55.683 56.100 0.055 0.000 0.837 611 R CB 0.321 30.688 30.300 0.113 0.000 1.165 611 R HN 0.633 nan 8.270 nan 0.000 0.458 612 I N 5.405 125.949 120.570 -0.044 0.000 2.347 612 I HA 0.032 4.203 4.170 0.000 0.000 0.294 612 I C 0.665 176.765 176.117 -0.028 0.000 1.090 612 I CA -0.342 60.904 61.300 -0.090 0.000 1.314 612 I CB 0.924 38.789 38.000 -0.225 0.000 1.423 612 I HN 0.690 nan 8.210 nan 0.000 0.503 613 N N 4.595 123.298 118.700 0.005 0.000 2.132 613 N HA -0.217 4.524 4.740 0.000 0.000 0.191 613 N C 1.411 176.951 175.510 0.050 0.000 1.015 613 N CA 1.566 54.633 53.050 0.029 0.000 0.864 613 N CB 0.074 38.578 38.487 0.029 0.000 1.006 613 N HN 0.564 nan 8.380 nan 0.000 0.430 614 E N -0.262 119.994 120.200 0.094 0.000 1.999 614 E HA -0.073 4.277 4.350 0.000 0.000 0.194 614 E C 2.077 178.730 176.600 0.089 0.000 0.995 614 E CA 1.785 58.263 56.400 0.129 0.000 0.825 614 E CB -0.887 28.983 29.700 0.284 0.000 0.777 614 E HN 0.539 nan 8.360 nan 0.000 0.459 615 T N -1.410 113.186 114.554 0.070 0.000 3.160 615 T HA 0.035 4.385 4.350 0.000 0.000 0.257 615 T C 0.580 175.285 174.700 0.008 0.000 1.147 615 T CA 0.198 62.317 62.100 0.032 0.000 1.064 615 T CB 0.000 68.867 68.868 -0.001 0.000 0.949 615 T HN 0.001 nan 8.240 nan 0.000 0.526 616 R N 0.068 120.571 120.500 0.005 0.000 4.016 616 R HA -0.113 4.227 4.340 0.000 0.000 0.385 616 R C -0.728 175.571 176.300 -0.003 0.000 1.158 616 R CA 0.974 57.078 56.100 0.007 0.000 1.117 616 R CB -2.645 27.666 30.300 0.017 0.000 1.635 616 R HN 0.515 nan 8.270 nan 0.000 0.560 617 D N -0.214 120.170 120.400 -0.027 0.000 2.368 617 D HA 0.300 4.941 4.640 0.000 0.000 0.240 617 D C 0.155 176.439 176.300 -0.027 0.000 1.169 617 D CA 0.106 54.086 54.000 -0.032 0.000 0.906 617 D CB 0.868 41.630 40.800 -0.064 0.000 1.187 617 D HN -0.162 nan 8.370 nan 0.000 0.435 618 V N 2.245 122.145 119.914 -0.022 0.000 2.588 618 V HA 0.370 4.490 4.120 0.000 0.000 0.304 618 V C -0.625 175.438 176.094 -0.052 0.000 1.042 618 V CA -0.804 61.481 62.300 -0.025 0.000 0.877 618 V CB 1.708 33.519 31.823 -0.021 0.000 0.996 618 V HN 0.264 nan 8.190 nan 0.000 0.425 619 L N 3.905 125.099 121.223 -0.049 0.000 2.346 619 L HA 0.955 5.295 4.340 0.000 0.000 0.276 619 L C 0.082 176.874 176.870 -0.130 0.000 1.006 619 L CA -0.301 54.502 54.840 -0.063 0.000 0.817 619 L CB 1.722 43.790 42.059 0.015 0.000 1.272 619 L HN 0.858 nan 8.230 nan 0.000 0.421 620 A N 3.177 125.852 122.820 -0.243 0.000 2.520 620 A HA 0.919 5.239 4.320 0.000 0.000 0.298 620 A C -1.124 176.350 177.584 -0.183 0.000 1.051 620 A CA -0.667 51.162 52.037 -0.346 0.000 0.690 620 A CB 1.895 20.306 19.000 -0.982 0.000 1.281 620 A HN 0.422 nan 8.150 nan 0.000 0.402 621 K N 0.891 121.315 120.400 0.039 0.000 2.532 621 K HA 0.552 4.873 4.320 0.000 0.000 0.265 621 K C -1.428 175.375 176.600 0.338 0.000 0.948 621 K CA -0.362 56.044 56.287 0.198 0.000 0.842 621 K CB 2.369 35.061 32.500 0.319 0.000 1.392 621 K HN 0.981 nan 8.250 nan 0.000 0.436 622 Q N 1.036 120.955 119.800 0.198 0.000 2.345 622 Q HA 0.630 4.970 4.340 0.000 0.000 0.275 622 Q C -1.195 174.822 176.000 0.028 0.000 1.063 622 Q CA -1.066 54.782 55.803 0.074 0.000 0.819 622 Q CB 2.922 31.547 28.738 -0.188 0.000 1.356 622 Q HN 0.320 nan 8.270 nan 0.000 0.418 623 K N 0.921 121.363 120.400 0.070 0.000 2.482 623 K HA 0.670 4.990 4.320 0.000 0.000 0.257 623 K C -1.172 175.572 176.600 0.239 0.000 0.969 623 K CA -0.806 55.562 56.287 0.135 0.000 0.842 623 K CB 2.641 35.061 32.500 -0.133 0.000 1.359 623 K HN 0.667 nan 8.250 nan 0.000 0.441 624 S N 0.007 115.940 115.700 0.388 0.000 2.607 624 S HA 0.623 5.094 4.470 0.000 0.000 0.303 624 S C -0.898 173.872 174.600 0.282 0.000 1.086 624 S CA -0.601 57.818 58.200 0.366 0.000 0.995 624 S CB 2.034 65.501 63.200 0.445 0.000 1.084 624 S HN 0.502 nan 8.310 nan 0.000 0.507 625 T N 1.521 116.211 114.554 0.227 0.000 2.933 625 T HA 0.581 4.932 4.350 0.000 0.000 0.305 625 T C -1.220 173.491 174.700 0.018 0.000 1.092 625 T CA -0.591 61.582 62.100 0.121 0.000 1.008 625 T CB 1.380 70.376 68.868 0.214 0.000 1.102 625 T HN 0.582 nan 8.240 nan 0.000 0.469 626 V N 1.932 121.816 119.914 -0.049 0.000 2.540 626 V HA 0.686 4.807 4.120 0.000 0.000 0.302 626 V C -0.394 175.622 176.094 -0.131 0.000 1.035 626 V CA -1.113 61.146 62.300 -0.068 0.000 0.873 626 V CB 1.280 33.084 31.823 -0.030 0.000 0.992 626 V HN 0.792 nan 8.190 nan 0.000 0.428 627 L N 3.737 124.868 121.223 -0.154 0.000 2.360 627 L HA 0.337 4.677 4.340 0.000 0.000 0.276 627 L C 0.873 177.698 176.870 -0.076 0.000 1.121 627 L CA 0.218 54.961 54.840 -0.162 0.000 0.845 627 L CB 1.067 43.017 42.059 -0.181 0.000 1.143 627 L HN 0.788 nan 8.230 nan 0.000 0.452 628 T N 4.821 119.335 114.554 -0.066 0.000 2.901 628 T HA 0.410 4.760 4.350 0.000 0.000 0.301 628 T C 0.112 174.816 174.700 0.007 0.000 1.012 628 T CA 0.049 62.132 62.100 -0.028 0.000 1.135 628 T CB 0.450 69.297 68.868 -0.035 0.000 0.936 628 T HN 0.274 nan 8.240 nan 0.000 0.539 629 I N 4.303 124.892 120.570 0.032 0.000 2.474 629 I HA 0.346 4.516 4.170 0.000 0.000 0.294 629 I C -2.098 174.054 176.117 0.058 0.000 1.005 629 I CA -2.666 58.666 61.300 0.053 0.000 1.113 629 I CB 1.711 39.752 38.000 0.069 0.000 1.289 629 I HN 0.391 nan 8.210 nan 0.000 0.436 630 P HA 0.062 nan 4.420 nan 0.000 0.268 630 P C -0.700 176.655 177.300 0.092 0.000 1.205 630 P CA -0.285 62.848 63.100 0.055 0.000 0.771 630 P CB 0.388 32.105 31.700 0.029 0.000 0.858 631 E N 2.683 122.931 120.200 0.080 0.000 2.345 631 E HA 0.277 4.627 4.350 0.000 0.000 0.259 631 E C -0.468 176.209 176.600 0.128 0.000 1.117 631 E CA -0.734 55.725 56.400 0.099 0.000 0.913 631 E CB 0.598 30.347 29.700 0.081 0.000 1.057 631 E HN 0.275 nan 8.360 nan 0.000 0.432 632 I N 1.606 122.259 120.570 0.138 0.000 2.634 632 I HA 0.034 4.204 4.170 0.000 0.000 0.284 632 I C 0.033 176.218 176.117 0.115 0.000 1.124 632 I CA -0.366 61.033 61.300 0.164 0.000 1.417 632 I CB 0.536 38.611 38.000 0.124 0.000 1.396 632 I HN 0.457 nan 8.210 nan 0.000 0.571 633 I N 7.382 128.018 120.570 0.110 0.000 2.321 633 I HA 0.363 4.533 4.170 0.000 0.000 0.291 633 I C 0.085 176.245 176.117 0.071 0.000 0.998 633 I CA -0.292 61.052 61.300 0.073 0.000 1.227 633 I CB 1.083 39.115 38.000 0.052 0.000 1.368 633 I HN 0.363 nan 8.210 nan 0.000 0.466 634 I N 6.751 127.352 120.570 0.050 0.000 2.354 634 I HA 0.370 4.540 4.170 0.000 0.000 0.292 634 I C 0.082 176.208 176.117 0.016 0.000 0.989 634 I CA -0.586 60.735 61.300 0.035 0.000 1.188 634 I CB 1.372 39.387 38.000 0.025 0.000 1.342 634 I HN 0.417 nan 8.210 nan 0.000 0.457 635 K N 5.269 125.673 120.400 0.007 0.000 2.426 635 K HA 0.750 5.070 4.320 0.000 0.000 0.251 635 K C -1.291 175.299 176.600 -0.016 0.000 0.941 635 K CA -0.755 55.531 56.287 -0.002 0.000 0.808 635 K CB 3.162 35.665 32.500 0.005 0.000 1.265 635 K HN 0.446 nan 8.250 nan 0.000 0.432 636 V N -0.430 119.472 119.914 -0.020 0.000 2.735 636 V HA 0.746 4.866 4.120 0.000 0.000 0.310 636 V C -1.223 174.858 176.094 -0.021 0.000 1.061 636 V CA -1.045 61.239 62.300 -0.027 0.000 0.913 636 V CB 1.695 33.498 31.823 -0.033 0.000 1.005 636 V HN 0.894 nan 8.190 nan 0.000 0.428 637 R N 2.518 123.005 120.500 -0.022 0.000 2.531 637 R HA 0.905 5.245 4.340 0.000 0.000 0.293 637 R C -0.235 176.055 176.300 -0.016 0.000 1.124 637 R CA -0.152 55.938 56.100 -0.016 0.000 0.945 637 R CB 1.703 31.997 30.300 -0.011 0.000 1.195 637 R HN 1.652 nan 8.270 nan 0.000 0.433 638 G N 0.528 109.319 108.800 -0.015 0.000 2.335 638 G HA2 0.126 4.086 3.960 0.000 0.000 0.291 638 G HA3 0.126 4.086 3.960 0.000 0.000 0.291 638 G C 0.197 175.090 174.900 -0.012 0.000 1.261 638 G CA -0.165 44.928 45.100 -0.012 0.000 0.871 638 G HN 0.294 nan 8.290 nan 0.000 0.491 639 T N -0.811 113.738 114.554 -0.009 0.000 2.812 639 T HA 0.116 4.466 4.350 0.000 0.000 0.264 639 T C 0.960 175.653 174.700 -0.011 0.000 1.042 639 T CA 1.698 63.794 62.100 -0.008 0.000 1.140 639 T CB -0.345 68.522 68.868 -0.003 0.000 0.870 639 T HN 0.917 nan 8.240 nan 0.000 0.445 640 Q N 0.230 120.023 119.800 -0.012 0.000 2.447 640 Q HA -0.090 4.251 4.340 0.000 0.000 0.316 640 Q C -1.572 174.421 176.000 -0.012 0.000 1.448 640 Q CA -0.255 55.538 55.803 -0.017 0.000 0.804 640 Q CB -1.712 27.012 28.738 -0.024 0.000 1.107 640 Q HN 0.438 nan 8.270 nan 0.000 0.373 641 V N 0.052 119.964 119.914 -0.004 0.000 2.932 641 V HA 0.488 4.608 4.120 0.000 0.000 0.307 641 V C 0.358 176.462 176.094 0.016 0.000 1.147 641 V CA -0.551 61.752 62.300 0.004 0.000 0.951 641 V CB 2.071 33.897 31.823 0.006 0.000 1.031 641 V HN 0.339 nan 8.190 nan 0.000 0.426 642 V N 2.371 122.300 119.914 0.026 0.000 3.032 642 V HA 0.546 4.666 4.120 0.000 0.000 0.307 642 V C 1.383 177.515 176.094 0.064 0.000 1.097 642 V CA 1.296 63.628 62.300 0.054 0.000 1.191 642 V CB 0.305 32.170 31.823 0.071 0.000 0.964 642 V HN 2.197 nan 8.190 nan 0.000 0.494 643 G N 2.918 111.773 108.800 0.093 0.000 2.377 643 G HA2 -0.263 3.697 3.960 0.000 0.000 0.250 643 G HA3 -0.263 3.697 3.960 0.000 0.000 0.250 643 G C 0.442 175.377 174.900 0.058 0.000 1.039 643 G CA 0.871 46.018 45.100 0.079 0.000 0.625 643 G HN 2.154 nan 8.290 nan 0.000 0.526 644 S N 0.912 116.639 115.700 0.045 0.000 2.565 644 S HA 0.622 5.092 4.470 0.000 0.000 0.290 644 S C -0.511 174.106 174.600 0.028 0.000 1.150 644 S CA -0.572 57.647 58.200 0.031 0.000 1.058 644 S CB 2.200 65.412 63.200 0.020 0.000 1.032 644 S HN 0.199 nan 8.310 nan 0.000 0.510 645 D N 1.380 121.793 120.400 0.021 0.000 2.419 645 D HA 0.262 4.902 4.640 0.000 0.000 0.236 645 D C -0.220 176.082 176.300 0.002 0.000 1.165 645 D CA 0.675 54.683 54.000 0.014 0.000 0.882 645 D CB 0.265 41.071 40.800 0.011 0.000 1.201 645 D HN 0.648 nan 8.370 nan 0.000 0.443 646 M N 0.807 120.403 119.600 -0.006 0.000 2.284 646 M HA 0.182 4.662 4.480 0.000 0.000 0.281 646 M C -1.502 174.780 176.300 -0.031 0.000 1.083 646 M CA -0.440 54.849 55.300 -0.019 0.000 0.965 646 M CB 1.734 34.319 32.600 -0.024 0.000 1.717 646 M HN 0.137 nan 8.290 nan 0.000 0.479 647 T N 3.963 118.498 114.554 -0.032 0.000 2.771 647 T HA 0.537 4.887 4.350 0.000 0.000 0.291 647 T C -0.524 174.142 174.700 -0.056 0.000 0.954 647 T CA -0.455 61.619 62.100 -0.043 0.000 1.045 647 T CB 1.015 69.866 68.868 -0.030 0.000 0.917 647 T HN 0.452 nan 8.240 nan 0.000 0.484 648 V N 4.133 123.993 119.914 -0.089 0.000 2.459 648 V HA 0.638 4.758 4.120 0.000 0.000 0.295 648 V C 0.432 176.456 176.094 -0.117 0.000 1.029 648 V CA -0.944 61.295 62.300 -0.102 0.000 0.874 648 V CB 1.762 33.503 31.823 -0.136 0.000 0.985 648 V HN 1.071 nan 8.190 nan 0.000 0.438 649 T N 1.574 116.091 114.554 -0.061 0.000 2.809 649 T HA 0.704 5.054 4.350 0.000 0.000 0.284 649 T C -0.741 173.976 174.700 0.030 0.000 0.992 649 T CA -0.650 61.440 62.100 -0.017 0.000 0.957 649 T CB 1.343 70.222 68.868 0.018 0.000 0.942 649 T HN 0.270 nan 8.240 nan 0.000 0.439 650 V N 3.480 123.449 119.914 0.091 0.000 2.407 650 V HA 0.516 4.636 4.120 0.000 0.000 0.278 650 V C 0.236 176.459 176.094 0.216 0.000 1.037 650 V CA -0.574 61.835 62.300 0.181 0.000 0.900 650 V CB 1.126 33.152 31.823 0.338 0.000 0.983 650 V HN 1.011 nan 8.190 nan 0.000 0.459 651 E N 3.765 124.065 120.200 0.167 0.000 2.224 651 E HA 0.527 4.877 4.350 0.000 0.000 0.265 651 E C -1.996 174.714 176.600 0.184 0.000 0.878 651 E CA -0.617 55.868 56.400 0.143 0.000 0.759 651 E CB 1.777 31.527 29.700 0.083 0.000 1.164 651 E HN 0.520 nan 8.360 nan 0.000 0.414 652 F N 2.763 122.689 119.950 -0.041 0.000 2.529 652 F HA 0.446 4.973 4.527 0.000 0.000 0.320 652 F C -1.079 174.667 175.800 -0.091 0.000 1.118 652 F CA -0.494 57.463 58.000 -0.072 0.000 0.915 652 F CB 2.058 40.990 39.000 -0.112 0.000 1.161 652 F HN 0.209 nan 8.300 nan 0.000 0.445 653 T N 5.329 119.369 114.554 -0.855 0.000 2.772 653 T HA 0.168 4.518 4.350 0.000 0.000 0.288 653 T C -0.415 173.632 174.700 -1.087 0.000 0.994 653 T CA -0.647 61.013 62.100 -0.733 0.000 0.951 653 T CB 0.409 69.065 68.868 -0.354 0.000 0.933 653 T HN 0.556 nan 8.240 nan 0.000 0.447 654 N N 5.160 123.351 118.700 -0.848 0.000 2.414 654 N HA 0.022 4.762 4.740 0.000 0.000 0.268 654 N C -1.223 174.116 175.510 -0.286 0.000 1.286 654 N CA -1.699 51.041 53.050 -0.515 0.000 0.896 654 N CB 0.992 39.343 38.487 -0.226 0.000 1.093 654 N HN 0.282 nan 8.380 nan 0.000 0.480 655 P HA 0.036 nan 4.420 nan 0.000 0.239 655 P C 0.139 177.423 177.300 -0.027 0.000 1.188 655 P CA 0.486 63.539 63.100 -0.078 0.000 0.794 655 P CB 0.585 32.273 31.700 -0.019 0.000 0.937 656 L N 1.491 122.708 121.223 -0.011 0.000 2.350 656 L HA 0.261 4.602 4.340 0.000 0.000 0.275 656 L C 1.582 178.446 176.870 -0.011 0.000 1.099 656 L CA -0.632 54.211 54.840 0.006 0.000 0.808 656 L CB 0.999 43.075 42.059 0.027 0.000 1.149 656 L HN -0.101 nan 8.230 nan 0.000 0.442 657 K N 1.802 122.197 120.400 -0.008 0.000 2.665 657 K HA 0.103 4.423 4.320 0.000 0.000 0.214 657 K C -0.139 176.456 176.600 -0.008 0.000 1.032 657 K CA -0.127 56.152 56.287 -0.013 0.000 1.198 657 K CB -0.045 32.448 32.500 -0.012 0.000 0.941 657 K HN 0.739 nan 8.250 nan 0.000 0.491 658 E N -0.294 119.904 120.200 -0.002 0.000 2.410 658 E HA 0.249 4.599 4.350 0.000 0.000 0.269 658 E C -1.274 175.330 176.600 0.006 0.000 0.937 658 E CA -1.114 55.288 56.400 0.003 0.000 0.793 658 E CB 1.171 30.876 29.700 0.009 0.000 1.314 658 E HN -0.083 nan 8.360 nan 0.000 0.447 659 T N 1.973 116.533 114.554 0.009 0.000 2.779 659 T HA 0.220 4.570 4.350 0.000 0.000 0.296 659 T C 0.034 174.749 174.700 0.025 0.000 0.938 659 T CA -0.283 61.825 62.100 0.013 0.000 1.119 659 T CB -0.065 68.810 68.868 0.010 0.000 0.891 659 T HN 0.251 nan 8.240 nan 0.000 0.526 660 L N 4.955 126.199 121.223 0.035 0.000 2.290 660 L HA 0.461 4.801 4.340 0.000 0.000 0.284 660 L C 0.765 177.659 176.870 0.040 0.000 1.078 660 L CA -0.420 54.451 54.840 0.052 0.000 0.815 660 L CB 0.657 42.771 42.059 0.091 0.000 1.162 660 L HN 0.450 nan 8.230 nan 0.000 0.435 661 R N 2.654 123.176 120.500 0.038 0.000 2.637 661 R HA 0.363 4.703 4.340 0.000 0.000 0.291 661 R C -0.431 175.886 176.300 0.027 0.000 0.963 661 R CA -1.002 55.114 56.100 0.027 0.000 0.901 661 R CB 1.272 31.588 30.300 0.025 0.000 1.160 661 R HN 0.588 nan 8.270 nan 0.000 0.457 662 N N -0.272 118.422 118.700 -0.010 0.000 2.708 662 N HA -0.154 4.586 4.740 0.000 0.000 0.255 662 N C -1.158 174.318 175.510 -0.056 0.000 1.046 662 N CA 0.316 53.329 53.050 -0.061 0.000 0.715 662 N CB -0.900 37.610 38.487 0.039 0.000 0.895 662 N HN 0.212 nan 8.380 nan 0.000 0.545 663 V N 0.646 120.518 119.914 -0.069 0.000 2.387 663 V HA 0.133 4.254 4.120 0.000 0.000 0.260 663 V C 0.526 176.591 176.094 -0.049 0.000 1.054 663 V CA -0.154 62.136 62.300 -0.018 0.000 0.967 663 V CB -0.244 31.574 31.823 -0.008 0.000 1.036 663 V HN 0.288 nan 8.190 nan 0.000 0.481 664 W N 3.800 125.098 121.300 -0.005 0.000 2.361 664 W HA 0.598 5.258 4.660 0.000 0.000 0.309 664 W C -0.281 176.245 176.519 0.011 0.000 1.122 664 W CA -0.496 56.848 57.345 -0.001 0.000 1.208 664 W CB 1.511 30.995 29.460 0.041 0.000 1.246 664 W HN 0.299 nan 8.180 nan 0.000 0.490 665 V N 4.141 124.181 119.914 0.211 0.000 2.513 665 V HA 0.363 4.483 4.120 0.000 0.000 0.299 665 V C -0.089 176.140 176.094 0.225 0.000 1.035 665 V CA -0.963 61.425 62.300 0.148 0.000 0.889 665 V CB 1.212 33.072 31.823 0.062 0.000 0.988 665 V HN 0.457 nan 8.190 nan 0.000 0.440 666 H N 3.843 123.012 119.070 0.165 0.000 2.538 666 H HA 0.605 5.161 4.556 0.000 0.000 0.353 666 H C -1.207 174.321 175.328 0.334 0.000 1.109 666 H CA -0.739 55.453 56.048 0.239 0.000 1.192 666 H CB 2.696 32.522 29.762 0.107 0.000 1.555 666 H HN 0.408 nan 8.280 nan 0.000 0.518 667 L N 2.698 124.203 121.223 0.470 0.000 2.362 667 L HA 0.468 4.808 4.340 0.000 0.000 0.271 667 L C -0.990 175.965 176.870 0.142 0.000 1.002 667 L CA -0.246 54.743 54.840 0.249 0.000 0.818 667 L CB 1.801 43.892 42.059 0.053 0.000 1.298 667 L HN 0.682 nan 8.230 nan 0.000 0.420 668 D N 1.848 122.284 120.400 0.059 0.000 2.622 668 D HA 0.777 5.418 4.640 0.000 0.000 0.255 668 D C -1.287 174.987 176.300 -0.044 0.000 1.246 668 D CA 0.302 54.309 54.000 0.012 0.000 0.795 668 D CB 2.518 43.313 40.800 -0.008 0.000 1.369 668 D HN 0.832 nan 8.370 nan 0.000 0.425 669 G N 1.754 110.509 108.800 -0.074 0.000 1.882 669 G HA2 0.266 4.226 3.960 0.000 0.000 0.256 669 G HA3 0.266 4.226 3.960 0.000 0.000 0.256 669 G C -3.096 171.709 174.900 -0.159 0.000 2.065 669 G CA -0.877 44.153 45.100 -0.117 0.000 0.882 669 G HN 0.273 nan 8.290 nan 0.000 0.574 670 P HA 0.315 nan 4.420 nan 0.000 0.267 670 P C 1.169 178.290 177.300 -0.298 0.000 1.205 670 P CA 1.677 64.702 63.100 -0.126 0.000 0.765 670 P CB 1.244 32.919 31.700 -0.041 0.000 0.828 671 G N 1.792 110.250 108.800 -0.571 0.000 2.159 671 G HA2 -0.237 3.723 3.960 0.000 0.000 0.256 671 G HA3 -0.237 3.723 3.960 0.000 0.000 0.256 671 G C 0.431 174.442 174.900 -1.482 0.000 0.977 671 G CA 0.137 44.498 45.100 -1.232 0.000 0.652 671 G HN 0.436 nan 8.290 nan 0.000 0.531 672 V N -1.410 117.817 119.914 -1.144 0.000 3.141 672 V HA 0.519 4.639 4.120 0.000 0.000 0.225 672 V C 0.882 176.699 176.094 -0.462 0.000 1.352 672 V CA 1.759 63.662 62.300 -0.663 0.000 1.316 672 V CB 1.265 32.892 31.823 -0.325 0.000 1.126 672 V HN 0.850 nan 8.190 nan 0.000 0.493 673 T N 0.214 114.584 114.554 -0.306 0.000 2.889 673 T HA 0.489 4.839 4.350 0.000 0.000 0.315 673 T C -1.295 173.530 174.700 0.209 0.000 1.291 673 T CA -0.575 61.566 62.100 0.069 0.000 1.028 673 T CB 1.870 70.744 68.868 0.010 0.000 1.235 673 T HN 0.213 nan 8.240 nan 0.000 0.491 674 R N 2.989 123.670 120.500 0.302 0.000 2.441 674 R HA 0.421 4.761 4.340 0.000 0.000 0.284 674 R C -2.205 174.184 176.300 0.147 0.000 1.070 674 R CA -1.823 54.419 56.100 0.237 0.000 1.047 674 R CB 0.529 30.944 30.300 0.192 0.000 1.016 674 R HN 0.484 nan 8.270 nan 0.000 0.477 675 P HA -0.079 nan 4.420 nan 0.000 0.261 675 P C -0.798 176.586 177.300 0.139 0.000 1.183 675 P CA 0.879 64.052 63.100 0.122 0.000 0.761 675 P CB 0.670 32.440 31.700 0.118 0.000 0.785 676 M N 3.002 122.708 119.600 0.176 0.000 2.658 676 M HA 0.501 4.981 4.480 0.000 0.000 0.295 676 M C 0.039 176.496 176.300 0.262 0.000 1.248 676 M CA -0.714 54.724 55.300 0.230 0.000 0.843 676 M CB 3.160 35.940 32.600 0.301 0.000 1.749 676 M HN 0.248 nan 8.290 nan 0.000 0.464 677 K N 1.026 121.521 120.400 0.158 0.000 2.525 677 K HA 0.689 5.009 4.320 0.000 0.000 0.254 677 K C -1.764 174.741 176.600 -0.158 0.000 0.934 677 K CA -1.070 55.154 56.287 -0.104 0.000 0.802 677 K CB 2.591 34.797 32.500 -0.490 0.000 1.295 677 K HN 0.372 nan 8.250 nan 0.000 0.433 678 K N 2.902 122.920 120.400 -0.636 0.000 2.221 678 K HA 0.419 4.739 4.320 0.000 0.000 0.258 678 K C -1.075 175.156 176.600 -0.614 0.000 0.944 678 K CA -0.738 55.052 56.287 -0.829 0.000 0.823 678 K CB 1.562 32.960 32.500 -1.836 0.000 1.113 678 K HN 0.813 nan 8.250 nan 0.000 0.431 679 M N 4.424 123.526 119.600 -0.830 0.000 2.300 679 M HA 0.538 5.019 4.480 0.000 0.000 0.348 679 M C -1.791 174.030 176.300 -0.798 0.000 1.151 679 M CA 0.104 54.750 55.300 -1.090 0.000 1.046 679 M CB 0.760 32.428 32.600 -1.554 0.000 1.647 679 M HN 0.482 nan 8.290 nan 0.000 0.451 680 F N 4.466 124.107 119.950 -0.515 0.000 2.445 680 F HA 0.517 5.044 4.527 0.000 0.000 0.348 680 F C 1.141 176.794 175.800 -0.246 0.000 1.125 680 F CA -0.626 57.193 58.000 -0.301 0.000 0.983 680 F CB 1.190 40.072 39.000 -0.197 0.000 1.198 680 F HN 0.657 nan 8.300 nan 0.000 0.436 681 R N 1.982 122.443 120.500 -0.065 0.000 2.190 681 R HA -0.204 4.136 4.340 0.000 0.000 0.255 681 R C -0.035 176.260 176.300 -0.009 0.000 1.143 681 R CA 2.074 58.140 56.100 -0.056 0.000 0.965 681 R CB -0.570 29.706 30.300 -0.040 0.000 0.889 681 R HN 0.881 nan 8.270 nan 0.000 0.448 682 E N -1.486 118.737 120.200 0.038 0.000 2.389 682 E HA 0.402 4.752 4.350 0.000 0.000 0.281 682 E C -1.244 175.380 176.600 0.040 0.000 1.072 682 E CA -0.570 55.849 56.400 0.032 0.000 0.845 682 E CB 0.860 30.571 29.700 0.018 0.000 1.239 682 E HN -0.004 nan 8.360 nan 0.000 0.434 683 I N 1.639 122.222 120.570 0.022 0.000 2.447 683 I HA 0.424 4.594 4.170 0.000 0.000 0.287 683 I C 0.034 176.145 176.117 -0.010 0.000 1.023 683 I CA -1.246 60.052 61.300 -0.005 0.000 1.083 683 I CB 1.511 39.499 38.000 -0.019 0.000 1.245 683 I HN 0.362 nan 8.210 nan 0.000 0.434 684 R N 5.180 125.669 120.500 -0.019 0.000 2.784 684 R HA 0.237 4.577 4.340 0.000 0.000 0.266 684 R C -2.398 173.880 176.300 -0.037 0.000 1.044 684 R CA -1.947 54.141 56.100 -0.021 0.000 1.151 684 R CB -0.229 30.060 30.300 -0.019 0.000 1.037 684 R HN 0.215 nan 8.270 nan 0.000 0.478 685 P HA -0.037 nan 4.420 nan 0.000 0.262 685 P C -0.144 177.123 177.300 -0.054 0.000 1.182 685 P CA 0.523 63.602 63.100 -0.036 0.000 0.761 685 P CB 0.289 31.975 31.700 -0.023 0.000 0.795 686 N N -1.104 117.550 118.700 -0.077 0.000 2.857 686 N HA -0.174 4.566 4.740 0.000 0.000 0.242 686 N C 0.076 175.519 175.510 -0.112 0.000 0.983 686 N CA 1.385 54.378 53.050 -0.094 0.000 0.934 686 N CB -1.459 36.990 38.487 -0.063 0.000 1.115 686 N HN 0.609 nan 8.380 nan 0.000 0.593 687 S N -0.405 115.228 115.700 -0.112 0.000 2.632 687 S HA 0.592 5.062 4.470 0.000 0.000 0.271 687 S C 0.305 174.806 174.600 -0.165 0.000 1.260 687 S CA -0.118 58.017 58.200 -0.108 0.000 1.010 687 S CB 2.390 65.547 63.200 -0.072 0.000 0.965 687 S HN 0.113 nan 8.310 nan 0.000 0.534 688 T N 1.373 115.846 114.554 -0.134 0.000 2.856 688 T HA 0.655 5.005 4.350 0.000 0.000 0.283 688 T C -0.225 174.410 174.700 -0.108 0.000 1.008 688 T CA -0.596 61.411 62.100 -0.155 0.000 0.997 688 T CB 1.335 70.133 68.868 -0.116 0.000 0.992 688 T HN 1.077 nan 8.240 nan 0.000 0.454 689 V N 0.973 120.805 119.914 -0.137 0.000 2.960 689 V HA 0.764 4.885 4.120 0.000 0.000 0.315 689 V C -1.134 174.954 176.094 -0.010 0.000 1.087 689 V CA -0.936 61.288 62.300 -0.127 0.000 0.982 689 V CB 1.967 33.474 31.823 -0.526 0.000 1.039 689 V HN 0.854 nan 8.190 nan 0.000 0.437 690 Q N 1.774 121.657 119.800 0.139 0.000 2.372 690 Q HA 0.466 4.807 4.340 0.000 0.000 0.273 690 Q C -2.050 174.210 176.000 0.433 0.000 1.078 690 Q CA -0.364 55.577 55.803 0.230 0.000 0.806 690 Q CB 3.113 31.948 28.738 0.160 0.000 1.332 690 Q HN 0.873 nan 8.270 nan 0.000 0.435 691 W N 2.423 123.838 121.300 0.191 0.000 2.656 691 W HA 0.444 5.104 4.660 0.000 0.000 0.327 691 W C -1.120 175.465 176.519 0.111 0.000 1.041 691 W CA -0.787 56.675 57.345 0.195 0.000 1.229 691 W CB 1.406 31.006 29.460 0.233 0.000 1.397 691 W HN 0.588 nan 8.180 nan 0.000 0.479 692 E N 3.364 123.626 120.200 0.104 0.000 2.210 692 E HA 0.392 4.743 4.350 0.000 0.000 0.266 692 E C -0.949 175.503 176.600 -0.247 0.000 0.883 692 E CA -0.320 56.031 56.400 -0.082 0.000 0.761 692 E CB 1.459 31.176 29.700 0.029 0.000 1.156 692 E HN 0.209 nan 8.360 nan 0.000 0.412 693 E N 2.178 122.204 120.200 -0.290 0.000 2.308 693 E HA 0.273 4.623 4.350 0.000 0.000 0.275 693 E C -1.287 175.224 176.600 -0.148 0.000 0.890 693 E CA -0.740 55.499 56.400 -0.269 0.000 0.754 693 E CB 2.214 31.634 29.700 -0.467 0.000 1.207 693 E HN 0.267 nan 8.360 nan 0.000 0.426 694 V N 2.060 121.923 119.914 -0.085 0.000 2.406 694 V HA 0.294 4.414 4.120 0.000 0.000 0.272 694 V C 0.078 176.154 176.094 -0.029 0.000 1.043 694 V CA -0.559 61.715 62.300 -0.043 0.000 0.915 694 V CB 0.856 32.671 31.823 -0.015 0.000 0.988 694 V HN 0.678 nan 8.190 nan 0.000 0.466 695 C N 5.204 124.490 119.300 -0.025 0.000 2.417 695 C HA 0.593 5.054 4.460 0.000 0.000 0.324 695 C C 0.539 175.551 174.990 0.036 0.000 1.240 695 C CA -0.828 58.193 59.018 0.004 0.000 1.632 695 C CB 1.218 28.938 27.740 -0.034 0.000 2.241 695 C HN 0.936 nan 8.230 nan 0.000 0.499 696 R N 3.705 124.264 120.500 0.098 0.000 2.396 696 R HA 0.307 4.647 4.340 0.000 0.000 0.292 696 R C -2.384 174.046 176.300 0.216 0.000 1.240 696 R CA -1.054 55.120 56.100 0.124 0.000 1.270 696 R CB 0.748 31.121 30.300 0.122 0.000 1.108 696 R HN 0.576 nan 8.270 nan 0.000 0.573 697 P HA -0.060 nan 4.420 nan 0.000 0.269 697 P C -0.500 176.927 177.300 0.212 0.000 1.217 697 P CA 0.060 63.175 63.100 0.025 0.000 0.783 697 P CB 0.414 32.063 31.700 -0.085 0.000 0.898 698 W N 0.354 121.662 121.300 0.013 0.000 2.555 698 W HA 0.489 5.149 4.660 0.000 0.000 0.324 698 W C -1.055 175.475 176.519 0.018 0.000 0.973 698 W CA -0.391 56.965 57.345 0.018 0.000 1.481 698 W CB -0.190 29.284 29.460 0.022 0.000 1.064 698 W HN -0.147 nan 8.180 nan 0.000 0.543 699 V N 3.076 122.910 119.914 -0.132 0.000 2.540 699 V HA 0.517 4.637 4.120 0.000 0.000 0.302 699 V C 0.434 176.484 176.094 -0.074 0.000 1.035 699 V CA -0.657 61.588 62.300 -0.092 0.000 0.873 699 V CB 1.502 33.218 31.823 -0.178 0.000 0.992 699 V HN 0.169 nan 8.190 nan 0.000 0.428 700 S N 3.405 119.092 115.700 -0.022 0.000 2.713 700 S HA 0.971 5.441 4.470 0.000 0.000 0.283 700 S C 0.331 174.927 174.600 -0.007 0.000 1.161 700 S CA 0.289 58.482 58.200 -0.012 0.000 0.999 700 S CB 1.690 64.894 63.200 0.007 0.000 1.039 700 S HN 2.266 nan 8.310 nan 0.000 0.548 701 G N 0.597 109.400 108.800 0.005 0.000 2.512 701 G HA2 -0.092 3.868 3.960 0.000 0.000 0.210 701 G HA3 -0.092 3.868 3.960 0.000 0.000 0.210 701 G C -0.644 174.295 174.900 0.065 0.000 1.295 701 G CA -0.112 45.005 45.100 0.029 0.000 0.934 701 G HN 1.341 nan 8.290 nan 0.000 0.554 702 H N 2.567 121.617 119.070 -0.033 0.000 3.017 702 H HA 0.603 5.159 4.556 0.000 0.000 0.276 702 H C 0.811 176.109 175.328 -0.050 0.000 1.062 702 H CA 0.323 56.349 56.048 -0.037 0.000 1.486 702 H CB 0.082 29.828 29.762 -0.027 0.000 1.507 702 H HN 0.566 nan 8.280 nan 0.000 0.508 703 R N 3.631 124.314 120.500 0.304 0.000 2.960 703 R HA 0.500 4.840 4.340 0.000 0.000 0.249 703 R C -0.607 175.753 176.300 0.098 0.000 1.192 703 R CA -1.000 55.147 56.100 0.079 0.000 1.035 703 R CB 1.709 31.989 30.300 -0.034 0.000 1.234 703 R HN 0.628 nan 8.270 nan 0.000 0.493 704 K N 0.735 121.125 120.400 -0.017 0.000 2.523 704 K HA 0.422 4.743 4.320 0.000 0.000 0.257 704 K C -1.378 175.191 176.600 -0.052 0.000 0.932 704 K CA -0.527 55.751 56.287 -0.015 0.000 0.812 704 K CB 1.702 34.182 32.500 -0.033 0.000 1.326 704 K HN 0.368 nan 8.250 nan 0.000 0.433 705 L N 5.145 126.346 121.223 -0.036 0.000 2.295 705 L HA 0.545 4.885 4.340 0.000 0.000 0.285 705 L C -0.525 176.331 176.870 -0.023 0.000 1.035 705 L CA -0.728 54.087 54.840 -0.041 0.000 0.806 705 L CB 1.273 43.309 42.059 -0.038 0.000 1.214 705 L HN 0.519 nan 8.230 nan 0.000 0.426 706 I N 2.777 123.335 120.570 -0.019 0.000 2.465 706 I HA 0.705 4.875 4.170 0.000 0.000 0.291 706 I C -0.299 175.853 176.117 0.059 0.000 1.014 706 I CA -0.410 60.891 61.300 0.002 0.000 1.093 706 I CB 2.062 40.035 38.000 -0.045 0.000 1.267 706 I HN 0.632 nan 8.210 nan 0.000 0.431 707 A N 4.116 126.996 122.820 0.099 0.000 2.454 707 A HA 0.930 5.250 4.320 0.000 0.000 0.302 707 A C -0.706 176.978 177.584 0.167 0.000 1.079 707 A CA -0.503 51.624 52.037 0.151 0.000 0.731 707 A CB 1.995 21.083 19.000 0.148 0.000 1.299 707 A HN 0.706 nan 8.150 nan 0.000 0.413 708 S N 1.454 117.231 115.700 0.129 0.000 2.556 708 S HA 0.772 5.243 4.470 0.000 0.000 0.271 708 S C -0.875 173.645 174.600 -0.134 0.000 1.135 708 S CA -0.586 57.600 58.200 -0.024 0.000 0.858 708 S CB 1.817 65.040 63.200 0.038 0.000 1.114 708 S HN 1.374 nan 8.310 nan 0.000 0.468 709 M N 2.691 122.084 119.600 -0.344 0.000 2.393 709 M HA 0.685 5.165 4.480 0.000 0.000 0.299 709 M C -1.554 174.555 176.300 -0.318 0.000 1.103 709 M CA -0.145 54.938 55.300 -0.363 0.000 0.910 709 M CB 1.844 34.010 32.600 -0.723 0.000 1.659 709 M HN 0.985 nan 8.290 nan 0.000 0.445 710 S N 2.800 118.404 115.700 -0.159 0.000 2.546 710 S HA 0.859 5.330 4.470 0.000 0.000 0.272 710 S C -1.078 173.548 174.600 0.044 0.000 1.140 710 S CA -0.158 57.994 58.200 -0.080 0.000 0.920 710 S CB 1.466 64.609 63.200 -0.096 0.000 1.083 710 S HN 0.953 nan 8.310 nan 0.000 0.476 711 S N 2.908 118.633 115.700 0.043 0.000 2.851 711 S HA 0.549 5.019 4.470 0.000 0.000 0.313 711 S C -0.035 174.624 174.600 0.098 0.000 1.163 711 S CA -0.607 57.645 58.200 0.087 0.000 0.850 711 S CB 0.601 63.831 63.200 0.051 0.000 1.245 711 S HN 0.502 nan 8.310 nan 0.000 0.558 712 D N 0.959 121.414 120.400 0.091 0.000 2.218 712 D HA 0.025 4.666 4.640 0.000 0.000 0.204 712 D C 1.787 178.127 176.300 0.068 0.000 0.976 712 D CA 1.858 55.907 54.000 0.082 0.000 0.853 712 D CB -0.029 40.811 40.800 0.066 0.000 0.939 712 D HN 0.559 nan 8.370 nan 0.000 0.481 713 S N -1.014 114.724 115.700 0.062 0.000 3.393 713 S HA 0.120 4.591 4.470 0.000 0.000 0.209 713 S C 0.468 175.102 174.600 0.056 0.000 0.897 713 S CA -0.522 57.711 58.200 0.056 0.000 0.825 713 S CB 0.111 63.340 63.200 0.050 0.000 0.898 713 S HN 0.072 nan 8.310 nan 0.000 0.615 714 L N 4.339 125.594 121.223 0.053 0.000 2.416 714 L HA 0.571 4.911 4.340 0.000 0.000 0.272 714 L C 0.010 176.885 176.870 0.008 0.000 1.161 714 L CA 0.112 54.978 54.840 0.044 0.000 0.845 714 L CB 0.334 42.435 42.059 0.071 0.000 1.119 714 L HN 0.753 nan 8.230 nan 0.000 0.464 715 R N 2.092 122.587 120.500 -0.008 0.000 2.907 715 R HA 0.338 4.678 4.340 0.000 0.000 0.266 715 R C -0.668 175.599 176.300 -0.054 0.000 1.031 715 R CA -0.719 55.342 56.100 -0.066 0.000 0.904 715 R CB 0.247 30.532 30.300 -0.024 0.000 1.358 715 R HN 0.580 nan 8.270 nan 0.000 0.438 716 H N -1.586 117.307 119.070 -0.295 0.000 2.880 716 H HA -0.072 4.484 4.556 0.000 0.000 0.304 716 H C -1.730 173.261 175.328 -0.562 0.000 1.259 716 H CA 0.799 56.615 56.048 -0.386 0.000 1.153 716 H CB -0.688 28.978 29.762 -0.160 0.000 1.395 716 H HN 0.378 nan 8.280 nan 0.000 0.420 717 V N 1.984 121.410 119.914 -0.813 0.000 2.448 717 V HA 0.488 4.608 4.120 0.000 0.000 0.295 717 V C -0.161 175.402 176.094 -0.885 0.000 1.025 717 V CA -0.499 61.441 62.300 -0.599 0.000 0.859 717 V CB 1.140 32.769 31.823 -0.324 0.000 0.988 717 V HN 0.284 nan 8.190 nan 0.000 0.431 718 Y N 1.963 122.216 120.300 -0.078 0.000 2.662 718 Y HA 0.935 5.485 4.550 0.000 0.000 0.335 718 Y C 0.618 176.511 175.900 -0.011 0.000 1.066 718 Y CA -0.880 57.178 58.100 -0.069 0.000 1.116 718 Y CB 2.457 40.858 38.460 -0.099 0.000 1.308 718 Y HN 0.755 nan 8.280 nan 0.000 0.502 719 G N -0.026 108.883 108.800 0.182 0.000 2.673 719 G HA2 0.601 4.561 3.960 0.000 0.000 0.292 719 G HA3 0.601 4.561 3.960 0.000 0.000 0.292 719 G C -1.931 173.018 174.900 0.082 0.000 1.450 719 G CA -0.932 44.235 45.100 0.112 0.000 0.837 719 G HN 0.730 nan 8.290 nan 0.000 0.505 720 E N -1.168 119.063 120.200 0.051 0.000 2.447 720 E HA 0.750 5.100 4.350 0.000 0.000 0.279 720 E C -2.248 174.363 176.600 0.019 0.000 1.053 720 E CA -1.116 55.299 56.400 0.025 0.000 0.840 720 E CB 2.437 32.140 29.700 0.004 0.000 1.409 720 E HN 0.973 nan 8.360 nan 0.000 0.461 721 L N 1.325 122.554 121.223 0.011 0.000 2.676 721 L HA 0.352 4.692 4.340 0.000 0.000 0.262 721 L C -2.015 174.865 176.870 0.016 0.000 0.932 721 L CA -0.303 54.542 54.840 0.009 0.000 0.932 721 L CB 2.039 44.099 42.059 0.001 0.000 1.355 721 L HN 0.635 nan 8.230 nan 0.000 0.421 722 D N 4.913 125.330 120.400 0.028 0.000 2.325 722 D HA 0.430 5.070 4.640 0.000 0.000 0.251 722 D C -0.016 176.272 176.300 -0.020 0.000 1.196 722 D CA 0.239 54.275 54.000 0.061 0.000 0.866 722 D CB 1.862 42.689 40.800 0.045 0.000 1.101 722 D HN 0.439 nan 8.370 nan 0.000 0.476 723 V N 0.694 120.605 119.914 -0.005 0.000 3.019 723 V HA 0.571 4.692 4.120 0.000 0.000 0.317 723 V C -0.564 175.498 176.094 -0.054 0.000 1.094 723 V CA -0.965 61.311 62.300 -0.041 0.000 1.000 723 V CB 2.147 33.950 31.823 -0.034 0.000 1.060 723 V HN 0.251 nan 8.190 nan 0.000 0.443 724 Q N 2.037 121.797 119.800 -0.066 0.000 2.339 724 Q HA 0.603 4.943 4.340 0.000 0.000 0.268 724 Q C -1.124 174.852 176.000 -0.039 0.000 1.027 724 Q CA -0.425 55.341 55.803 -0.062 0.000 0.759 724 Q CB 1.296 29.983 28.738 -0.085 0.000 1.244 724 Q HN 0.780 nan 8.270 nan 0.000 0.464 725 I N 2.511 123.064 120.570 -0.028 0.000 2.499 725 I HA 0.390 4.560 4.170 0.000 0.000 0.296 725 I C 0.209 176.317 176.117 -0.015 0.000 0.992 725 I CA -0.494 60.790 61.300 -0.026 0.000 1.297 725 I CB 1.455 39.432 38.000 -0.038 0.000 1.410 725 I HN 0.687 nan 8.210 nan 0.000 0.507 726 Q N 3.624 123.418 119.800 -0.010 0.000 2.297 726 Q HA 0.496 4.836 4.340 0.000 0.000 0.269 726 Q C -0.624 175.379 176.000 0.005 0.000 1.051 726 Q CA -0.771 55.030 55.803 -0.003 0.000 0.869 726 Q CB 2.209 30.943 28.738 -0.006 0.000 1.346 726 Q HN 0.421 nan 8.270 nan 0.000 0.457 727 R N 1.372 121.876 120.500 0.007 0.000 2.490 727 R HA 0.672 5.012 4.340 0.000 0.000 0.278 727 R C -0.343 175.964 176.300 0.011 0.000 1.069 727 R CA -0.526 55.582 56.100 0.013 0.000 1.080 727 R CB 0.979 31.286 30.300 0.012 0.000 1.030 727 R HN 0.473 nan 8.270 nan 0.000 0.491 728 R N 0.000 120.509 120.500 0.016 0.000 2.786 728 R HA 0.000 4.340 4.340 0.000 0.000 0.208 728 R CA 0.000 56.107 56.100 0.012 0.000 0.921 728 R CB 0.000 30.306 30.300 0.009 0.000 0.687 728 R HN 0.000 nan 8.270 nan 0.000 0.535