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 2r91_1_D DATA FIRST_RESID 21 DATA SEQUENCE MEIVAPVITT FRGGRLDPEL FANHVKNITS KGVDVVFVAG TTGLGPALSL DATA SEQUENCE QEKMELTDAA TSAARRVIVQ VASLNADEAI ALAKYAESRG AEAVASLPPY DATA SEQUENCE YFPRLSERQI AKYFRDLcSA VSIPVFLYNY PAAVGRDVDA RAAKELGcIR DATA SEQUENCE GVKDTNESLA HTLAYKRYLP QARVYNGSDS LVFASFAVRL DGVVASSANY DATA SEQUENCE LPELLAGIRD AVAAGDIERA RSLQFLLDEI VESARHIGYA AAVYELVEIF DATA SEQUENCE QGYEAGEPRG PVYPLDPEEK AWLRAAVAKA KSQLRL 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 21 M HA 0.000 nan 4.480 nan 0.000 0.227 21 M C 0.000 176.424 176.300 0.207 0.000 1.140 21 M CA 0.000 55.395 55.300 0.158 0.000 0.988 21 M CB 0.000 32.758 32.600 0.264 0.000 1.302 22 E N 2.439 122.815 120.200 0.293 0.000 2.242 22 E HA 0.634 4.984 4.350 -0.000 0.000 0.275 22 E C -1.083 175.692 176.600 0.292 0.000 1.002 22 E CA -0.641 55.914 56.400 0.258 0.000 0.841 22 E CB 2.181 32.042 29.700 0.268 0.000 1.109 22 E HN 0.446 nan 8.360 nan 0.000 0.394 23 I N 2.780 123.460 120.570 0.183 0.000 2.312 23 I HA 0.180 4.350 4.170 -0.000 0.000 0.290 23 I C -0.802 175.329 176.117 0.023 0.000 1.008 23 I CA -0.676 60.706 61.300 0.137 0.000 1.226 23 I CB 1.042 39.113 38.000 0.118 0.000 1.371 23 I HN 0.149 nan 8.210 nan 0.000 0.468 24 V N 5.992 125.879 119.914 -0.045 0.000 2.417 24 V HA 0.571 4.691 4.120 -0.000 0.000 0.291 24 V C 0.349 176.382 176.094 -0.101 0.000 1.024 24 V CA -0.695 61.528 62.300 -0.128 0.000 0.861 24 V CB 1.611 33.242 31.823 -0.321 0.000 0.985 24 V HN 0.794 nan 8.190 nan 0.000 0.436 25 A N 7.420 130.205 122.820 -0.058 0.000 2.269 25 A HA 0.716 5.036 4.320 -0.000 0.000 0.302 25 A C -2.356 175.260 177.584 0.052 0.000 1.266 25 A CA -1.636 50.386 52.037 -0.026 0.000 0.894 25 A CB 0.498 19.469 19.000 -0.047 0.000 1.147 25 A HN 0.607 nan 8.150 nan 0.000 0.537 26 P HA 0.128 nan 4.420 nan 0.000 0.256 26 P C -0.015 177.395 177.300 0.184 0.000 1.689 26 P CA 0.138 63.377 63.100 0.231 0.000 1.124 26 P CB 0.696 32.508 31.700 0.187 0.000 1.766 27 V N 6.134 126.154 119.914 0.176 0.000 2.715 27 V HA 0.090 4.210 4.120 -0.000 0.000 0.299 27 V C 1.031 177.254 176.094 0.216 0.000 1.054 27 V CA -0.596 61.814 62.300 0.183 0.000 1.077 27 V CB 0.145 32.056 31.823 0.145 0.000 0.972 27 V HN 0.380 nan 8.190 nan 0.000 0.484 28 I N 3.721 124.387 120.570 0.161 0.000 2.892 28 I HA 0.276 4.446 4.170 -0.000 0.000 0.287 28 I C 0.239 176.481 176.117 0.209 0.000 1.205 28 I CA 0.130 61.457 61.300 0.045 0.000 1.409 28 I CB 0.239 38.019 38.000 -0.367 0.000 1.367 28 I HN 0.483 nan 8.210 nan 0.000 0.597 29 T N 3.549 118.198 114.554 0.158 0.000 2.744 29 T HA 0.335 4.685 4.350 -0.000 0.000 0.291 29 T C 0.213 174.931 174.700 0.030 0.000 0.957 29 T CA -0.466 61.645 62.100 0.018 0.000 1.002 29 T CB 0.725 69.520 68.868 -0.121 0.000 0.919 29 T HN 0.823 nan 8.240 nan 0.000 0.468 30 T N 1.964 116.505 114.554 -0.022 0.000 2.738 30 T HA 0.620 4.970 4.350 -0.000 0.000 0.298 30 T C -0.361 174.275 174.700 -0.106 0.000 0.962 30 T CA -0.691 61.475 62.100 0.110 0.000 0.972 30 T CB -0.386 68.596 68.868 0.190 0.000 0.928 30 T HN 0.261 nan 8.240 nan 0.000 0.474 31 F N 1.769 121.796 119.950 0.130 0.000 2.440 31 F HA 0.635 5.162 4.527 -0.000 0.000 0.328 31 F C 1.183 177.004 175.800 0.036 0.000 1.070 31 F CA -1.200 56.830 58.000 0.049 0.000 1.011 31 F CB 1.634 40.635 39.000 0.002 0.000 1.226 31 F HN 0.333 nan 8.300 nan 0.000 0.491 32 R N 0.307 120.942 120.500 0.225 0.000 2.483 32 R HA 0.407 4.747 4.340 -0.000 0.000 0.303 32 R C 0.036 176.403 176.300 0.112 0.000 0.987 32 R CA -0.366 55.814 56.100 0.133 0.000 0.881 32 R CB 1.613 31.969 30.300 0.094 0.000 1.177 32 R HN 0.926 nan 8.270 nan 0.000 0.451 33 G N 1.623 110.467 108.800 0.074 0.000 2.305 33 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.287 33 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.287 33 G C 0.798 175.719 174.900 0.035 0.000 1.036 33 G CA 0.766 45.891 45.100 0.041 0.000 0.887 33 G HN 1.173 nan 8.290 nan 0.000 0.505 34 G N -1.815 107.001 108.800 0.026 0.000 2.168 34 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.263 34 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.263 34 G C 0.385 175.343 174.900 0.097 0.000 0.977 34 G CA 1.127 46.188 45.100 -0.066 0.000 0.659 34 G HN 1.047 nan 8.290 nan 0.000 0.533 35 R N -0.835 119.801 120.500 0.227 0.000 2.637 35 R HA 0.597 4.937 4.340 -0.000 0.000 0.291 35 R C -0.028 176.445 176.300 0.288 0.000 0.963 35 R CA -1.136 55.117 56.100 0.254 0.000 0.901 35 R CB 1.571 31.940 30.300 0.115 0.000 1.160 35 R HN 0.151 nan 8.270 nan 0.000 0.457 36 L N 2.310 123.625 121.223 0.153 0.000 2.540 36 L HA -0.018 4.322 4.340 -0.000 0.000 0.276 36 L C -0.228 176.600 176.870 -0.069 0.000 1.212 36 L CA 1.019 55.775 54.840 -0.140 0.000 0.893 36 L CB 0.203 42.148 42.059 -0.189 0.000 1.138 36 L HN 0.504 nan 8.230 nan 0.000 0.491 37 D N 7.035 127.385 120.400 -0.085 0.000 2.464 37 D HA 0.293 4.933 4.640 -0.000 0.000 0.243 37 D C -1.957 174.352 176.300 0.015 0.000 1.104 37 D CA -1.677 52.321 54.000 -0.003 0.000 0.883 37 D CB 1.639 42.466 40.800 0.045 0.000 1.050 37 D HN 0.367 nan 8.370 nan 0.000 0.524 38 P HA -0.068 nan 4.420 nan 0.000 0.226 38 P C 0.924 178.299 177.300 0.126 0.000 1.153 38 P CA 0.643 63.780 63.100 0.062 0.000 0.777 38 P CB 0.793 32.504 31.700 0.018 0.000 0.794 39 E N 0.156 120.404 120.200 0.081 0.000 2.076 39 E HA -0.027 4.323 4.350 -0.000 0.000 0.190 39 E C 2.300 178.941 176.600 0.068 0.000 0.979 39 E CA 0.671 57.109 56.400 0.064 0.000 0.807 39 E CB -0.787 28.936 29.700 0.039 0.000 0.761 39 E HN 0.318 nan 8.360 nan 0.000 0.454 40 L N 0.258 121.535 121.223 0.089 0.000 2.042 40 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 40 L C 2.543 179.495 176.870 0.137 0.000 1.076 40 L CA 1.318 56.218 54.840 0.101 0.000 0.749 40 L CB -0.469 41.664 42.059 0.125 0.000 0.893 40 L HN 0.066 nan 8.230 nan 0.000 0.432 41 F N 0.619 120.582 119.950 0.022 0.000 2.102 41 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 41 F C 2.445 178.268 175.800 0.038 0.000 1.105 41 F CA 1.327 59.353 58.000 0.043 0.000 1.239 41 F CB -0.280 38.716 39.000 -0.006 0.000 0.991 41 F HN -0.012 nan 8.300 nan 0.000 0.474 42 A N 0.420 123.293 122.820 0.088 0.000 1.902 42 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 42 A C 2.278 179.779 177.584 -0.139 0.000 1.181 42 A CA 1.817 53.827 52.037 -0.044 0.000 0.623 42 A CB -1.336 17.685 19.000 0.036 0.000 0.818 42 A HN 0.628 nan 8.150 nan 0.000 0.443 43 N N -1.021 117.608 118.700 -0.118 0.000 2.120 43 N HA -0.272 4.468 4.740 -0.000 0.000 0.188 43 N C 1.817 177.138 175.510 -0.314 0.000 1.024 43 N CA 1.933 54.854 53.050 -0.216 0.000 0.852 43 N CB -0.351 37.993 38.487 -0.238 0.000 1.003 43 N HN 0.669 nan 8.380 nan 0.000 0.424 44 H N 0.722 119.586 119.070 -0.344 0.000 2.321 44 H HA -0.004 4.552 4.556 -0.000 0.000 0.300 44 H C 2.144 177.338 175.328 -0.223 0.000 1.087 44 H CA 1.887 57.793 56.048 -0.236 0.000 1.319 44 H CB -0.412 29.310 29.762 -0.067 0.000 1.379 44 H HN -0.002 nan 8.280 nan 0.000 0.501 45 V N 1.146 120.774 119.914 -0.477 0.000 2.295 45 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 45 V C 2.372 178.278 176.094 -0.315 0.000 1.049 45 V CA 2.260 64.262 62.300 -0.497 0.000 1.024 45 V CB -0.418 31.076 31.823 -0.548 0.000 0.648 45 V HN 0.449 nan 8.190 nan 0.000 0.447 46 K N 0.239 120.490 120.400 -0.247 0.000 2.063 46 K HA -0.255 4.065 4.320 -0.000 0.000 0.208 46 K C 2.043 178.551 176.600 -0.152 0.000 1.048 46 K CA 1.961 58.146 56.287 -0.170 0.000 0.928 46 K CB -0.407 32.009 32.500 -0.140 0.000 0.713 46 K HN 0.512 nan 8.250 nan 0.000 0.442 47 N N 1.858 120.453 118.700 -0.176 0.000 2.080 47 N HA -0.150 4.590 4.740 -0.000 0.000 0.189 47 N C 1.851 177.321 175.510 -0.066 0.000 1.036 47 N CA 1.439 54.439 53.050 -0.084 0.000 0.846 47 N CB -0.152 38.337 38.487 0.002 0.000 1.015 47 N HN 0.294 nan 8.380 nan 0.000 0.423 48 I N -1.425 119.055 120.570 -0.150 0.000 2.394 48 I HA -0.105 4.065 4.170 -0.000 0.000 0.251 48 I C 1.771 177.821 176.117 -0.111 0.000 1.136 48 I CA 1.679 62.898 61.300 -0.135 0.000 1.425 48 I CB -1.239 36.616 38.000 -0.241 0.000 1.079 48 I HN 0.203 nan 8.210 nan 0.000 0.425 49 T N -0.622 113.854 114.554 -0.131 0.000 2.962 49 T HA -0.083 4.267 4.350 -0.000 0.000 0.270 49 T C 1.938 176.599 174.700 -0.064 0.000 1.088 49 T CA 1.225 63.269 62.100 -0.094 0.000 1.127 49 T CB -0.677 68.131 68.868 -0.099 0.000 0.883 49 T HN 0.622 nan 8.240 nan 0.000 0.493 50 S N 0.919 116.584 115.700 -0.058 0.000 2.522 50 S HA 0.154 4.624 4.470 -0.000 0.000 0.227 50 S C 1.554 176.139 174.600 -0.025 0.000 0.986 50 S CA -0.075 58.103 58.200 -0.037 0.000 0.929 50 S CB -0.304 62.877 63.200 -0.031 0.000 0.769 50 S HN 0.566 nan 8.310 nan 0.000 0.529 51 K N 0.359 120.743 120.400 -0.026 0.000 2.455 51 K HA 0.382 4.702 4.320 -0.000 0.000 0.206 51 K C 0.851 177.437 176.600 -0.023 0.000 1.027 51 K CA 0.321 56.598 56.287 -0.016 0.000 1.113 51 K CB 0.704 33.204 32.500 -0.000 0.000 0.850 51 K HN 0.481 nan 8.250 nan 0.000 0.503 52 G N 0.443 109.226 108.800 -0.029 0.000 2.260 52 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.179 52 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.179 52 G C 0.009 174.896 174.900 -0.022 0.000 1.002 52 G CA -0.591 44.493 45.100 -0.026 0.000 0.677 52 G HN 0.064 nan 8.290 nan 0.000 0.486 53 V N 2.413 122.305 119.914 -0.036 0.000 2.479 53 V HA 0.219 4.339 4.120 -0.000 0.000 0.281 53 V C 1.072 177.146 176.094 -0.034 0.000 1.031 53 V CA 0.695 62.971 62.300 -0.040 0.000 1.038 53 V CB 1.297 33.077 31.823 -0.072 0.000 0.981 53 V HN 0.304 nan 8.190 nan 0.000 0.478 54 D N 3.206 123.597 120.400 -0.016 0.000 2.240 54 D HA 0.078 4.718 4.640 -0.000 0.000 0.206 54 D C 0.234 176.521 176.300 -0.022 0.000 0.963 54 D CA 1.031 55.026 54.000 -0.008 0.000 0.863 54 D CB 0.912 41.725 40.800 0.022 0.000 0.973 54 D HN 0.388 nan 8.370 nan 0.000 0.501 55 V N 1.066 120.957 119.914 -0.037 0.000 2.888 55 V HA 0.260 4.380 4.120 -0.000 0.000 0.309 55 V C -0.320 175.745 176.094 -0.050 0.000 1.114 55 V CA -0.898 61.372 62.300 -0.050 0.000 0.940 55 V CB 3.021 34.797 31.823 -0.078 0.000 1.021 55 V HN -0.284 nan 8.190 nan 0.000 0.426 56 V N 4.234 124.128 119.914 -0.032 0.000 2.370 56 V HA 0.428 4.548 4.120 -0.000 0.000 0.279 56 V C -0.710 175.417 176.094 0.055 0.000 1.029 56 V CA -0.352 61.947 62.300 -0.003 0.000 0.870 56 V CB 1.325 33.135 31.823 -0.022 0.000 0.984 56 V HN 0.706 nan 8.190 nan 0.000 0.451 57 F N 5.942 125.832 119.950 -0.101 0.000 2.332 57 F HA 0.732 5.259 4.527 0.000 0.000 0.368 57 F C 0.124 175.899 175.800 -0.042 0.000 1.110 57 F CA -0.681 57.244 58.000 -0.124 0.000 1.087 57 F CB 0.890 39.772 39.000 -0.197 0.000 1.235 57 F HN 0.444 nan 8.300 nan 0.000 0.470 58 V N 4.928 124.666 119.914 -0.294 0.000 2.539 58 V HA 0.686 4.806 4.120 -0.000 0.000 0.292 58 V C 0.865 176.769 176.094 -0.316 0.000 1.045 58 V CA -0.353 61.844 62.300 -0.170 0.000 0.945 58 V CB 1.027 32.821 31.823 -0.049 0.000 0.993 58 V HN 1.596 nan 8.190 nan 0.000 0.464 59 A N 3.055 125.790 122.820 -0.141 0.000 2.905 59 A HA 0.022 4.342 4.320 -0.000 0.000 0.260 59 A C 1.229 178.772 177.584 -0.069 0.000 1.398 59 A CA 1.276 53.260 52.037 -0.088 0.000 0.840 59 A CB -1.714 17.232 19.000 -0.091 0.000 1.059 59 A HN 2.781 nan 8.150 nan 0.000 0.647 60 G N -1.707 107.047 108.800 -0.077 0.000 2.570 60 G HA2 0.406 4.366 3.960 -0.000 0.000 0.276 60 G HA3 0.406 4.366 3.960 -0.000 0.000 0.276 60 G C 1.035 176.148 174.900 0.355 0.000 1.346 60 G CA 0.689 45.936 45.100 0.246 0.000 1.034 60 G HN 0.693 nan 8.290 nan 0.000 0.512 61 T N -0.088 114.788 114.554 0.537 0.000 2.746 61 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 61 T C 2.679 177.571 174.700 0.319 0.000 1.039 61 T CA 1.954 64.294 62.100 0.400 0.000 1.142 61 T CB -0.447 68.741 68.868 0.534 0.000 0.866 61 T HN 0.451 nan 8.240 nan 0.000 0.444 62 T N 1.076 115.831 114.554 0.334 0.000 2.849 62 T HA -0.032 4.318 4.350 -0.000 0.000 0.270 62 T C 1.941 176.772 174.700 0.220 0.000 1.066 62 T CA 1.203 63.469 62.100 0.277 0.000 1.130 62 T CB -0.465 68.560 68.868 0.261 0.000 0.864 62 T HN 0.507 nan 8.240 nan 0.000 0.481 63 G N 0.429 109.355 108.800 0.210 0.000 3.181 63 G HA2 0.304 4.264 3.960 -0.000 0.000 0.219 63 G HA3 0.304 4.264 3.960 -0.000 0.000 0.219 63 G C 0.404 175.413 174.900 0.181 0.000 1.182 63 G CA -0.365 44.840 45.100 0.174 0.000 0.791 63 G HN 0.377 nan 8.290 nan 0.000 0.537 64 L N -0.665 120.680 121.223 0.203 0.000 4.040 64 L HA -0.202 4.138 4.340 -0.000 0.000 0.410 64 L C 2.212 179.162 176.870 0.133 0.000 1.187 64 L CA 0.368 55.317 54.840 0.181 0.000 0.956 64 L CB -1.733 40.477 42.059 0.252 0.000 2.022 64 L HN 0.274 nan 8.230 nan 0.000 0.897 65 G N -0.109 108.760 108.800 0.115 0.000 2.599 65 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 65 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 65 G C -0.435 174.505 174.900 0.067 0.000 1.193 65 G CA 1.226 46.375 45.100 0.081 0.000 0.778 65 G HN 0.444 nan 8.290 nan 0.000 0.589 66 P HA 0.058 nan 4.420 nan 0.000 0.223 66 P C 1.642 178.974 177.300 0.053 0.000 1.144 66 P CA 1.486 64.605 63.100 0.033 0.000 0.783 66 P CB -0.026 31.599 31.700 -0.126 0.000 0.771 67 A N -1.513 121.333 122.820 0.043 0.000 2.218 67 A HA 0.097 4.417 4.320 -0.000 0.000 0.209 67 A C 0.819 178.435 177.584 0.054 0.000 1.168 67 A CA 0.247 52.300 52.037 0.027 0.000 0.804 67 A CB -0.634 18.368 19.000 0.003 0.000 0.834 67 A HN 0.120 nan 8.150 nan 0.000 0.482 68 L N 1.386 122.659 121.223 0.083 0.000 2.312 68 L HA 0.319 4.659 4.340 -0.000 0.000 0.281 68 L C 0.847 177.748 176.870 0.051 0.000 1.070 68 L CA -0.624 54.272 54.840 0.095 0.000 0.805 68 L CB 1.582 43.688 42.059 0.078 0.000 1.174 68 L HN 0.345 nan 8.230 nan 0.000 0.434 69 S N 1.776 117.500 115.700 0.040 0.000 2.600 69 S HA 0.081 4.551 4.470 -0.000 0.000 0.265 69 S C 0.858 175.452 174.600 -0.011 0.000 1.325 69 S CA -0.645 57.562 58.200 0.011 0.000 1.002 69 S CB 1.040 64.242 63.200 0.003 0.000 0.921 69 S HN 0.580 nan 8.310 nan 0.000 0.554 70 L N 1.063 122.272 121.223 -0.024 0.000 2.042 70 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 70 L C 2.793 179.603 176.870 -0.099 0.000 1.076 70 L CA 2.206 57.012 54.840 -0.056 0.000 0.749 70 L CB -1.306 40.719 42.059 -0.056 0.000 0.893 70 L HN 1.006 nan 8.230 nan 0.000 0.432 71 Q N -0.429 119.320 119.800 -0.085 0.000 2.077 71 Q HA -0.288 4.052 4.340 -0.000 0.000 0.206 71 Q C 2.083 178.025 176.000 -0.097 0.000 0.989 71 Q CA 2.434 58.177 55.803 -0.099 0.000 0.853 71 Q CB -0.188 28.513 28.738 -0.061 0.000 0.907 71 Q HN 0.691 nan 8.270 nan 0.000 0.418 72 E N 0.071 120.234 120.200 -0.061 0.000 2.085 72 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 72 E C 2.060 178.597 176.600 -0.105 0.000 0.994 72 E CA 1.207 57.568 56.400 -0.065 0.000 0.801 72 E CB 0.060 29.759 29.700 -0.002 0.000 0.743 72 E HN 0.295 nan 8.360 nan 0.000 0.453 73 K N 0.058 120.404 120.400 -0.090 0.000 2.148 73 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 73 K C 2.116 178.651 176.600 -0.108 0.000 1.050 73 K CA 1.017 57.248 56.287 -0.094 0.000 0.942 73 K CB -0.021 32.444 32.500 -0.059 0.000 0.724 73 K HN 0.127 nan 8.250 nan 0.000 0.446 74 M N 0.484 119.978 119.600 -0.176 0.000 2.132 74 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 74 M C 1.806 178.066 176.300 -0.066 0.000 1.065 74 M CA 1.613 56.749 55.300 -0.272 0.000 1.122 74 M CB -0.143 32.064 32.600 -0.656 0.000 1.365 74 M HN 0.113 nan 8.290 nan 0.000 0.411 75 E N 0.351 120.492 120.200 -0.099 0.000 2.077 75 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 75 E C 1.920 178.450 176.600 -0.116 0.000 0.989 75 E CA 1.077 57.432 56.400 -0.074 0.000 0.800 75 E CB -0.196 29.446 29.700 -0.098 0.000 0.746 75 E HN 0.292 nan 8.360 nan 0.000 0.452 76 L N 0.864 121.970 121.223 -0.195 0.000 2.093 76 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 76 L C 2.189 178.960 176.870 -0.165 0.000 1.085 76 L CA 1.790 56.428 54.840 -0.336 0.000 0.755 76 L CB -0.557 41.278 42.059 -0.375 0.000 0.904 76 L HN 0.028 nan 8.230 nan 0.000 0.435 77 T N -0.391 114.141 114.554 -0.038 0.000 2.708 77 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 77 T C 1.450 176.192 174.700 0.070 0.000 1.037 77 T CA 1.553 63.685 62.100 0.053 0.000 1.146 77 T CB -0.369 68.603 68.868 0.173 0.000 0.865 77 T HN 0.397 nan 8.240 nan 0.000 0.435 78 D N 1.433 121.895 120.400 0.103 0.000 2.106 78 D HA -0.089 4.551 4.640 -0.000 0.000 0.191 78 D C 2.328 178.663 176.300 0.058 0.000 0.997 78 D CA 1.497 55.541 54.000 0.073 0.000 0.834 78 D CB -0.574 40.278 40.800 0.086 0.000 0.956 78 D HN 0.426 nan 8.370 nan 0.000 0.448 79 A N 0.764 123.614 122.820 0.051 0.000 1.898 79 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 79 A C 2.291 180.032 177.584 0.263 0.000 1.181 79 A CA 2.144 54.262 52.037 0.135 0.000 0.620 79 A CB -0.673 18.397 19.000 0.115 0.000 0.819 79 A HN 0.241 nan 8.150 nan 0.000 0.442 80 A N -0.156 122.848 122.820 0.306 0.000 1.898 80 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 80 A C 2.421 180.072 177.584 0.112 0.000 1.181 80 A CA 2.440 54.664 52.037 0.312 0.000 0.620 80 A CB -1.347 17.822 19.000 0.282 0.000 0.819 80 A HN 0.733 nan 8.150 nan 0.000 0.442 81 T N -3.249 111.345 114.554 0.067 0.000 2.951 81 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 81 T C 1.982 176.690 174.700 0.015 0.000 1.073 81 T CA 1.642 63.754 62.100 0.019 0.000 1.134 81 T CB -0.377 68.487 68.868 -0.008 0.000 0.884 81 T HN 0.323 nan 8.240 nan 0.000 0.479 82 S N 1.129 116.849 115.700 0.032 0.000 2.406 82 S HA 0.215 4.685 4.470 -0.000 0.000 0.228 82 S C 2.217 176.824 174.600 0.012 0.000 1.020 82 S CA 0.828 59.041 58.200 0.022 0.000 0.965 82 S CB -0.622 62.598 63.200 0.032 0.000 0.798 82 S HN 0.720 nan 8.310 nan 0.000 0.488 83 A N -0.163 122.669 122.820 0.020 0.000 2.220 83 A HA 0.760 5.080 4.320 -0.000 0.000 0.211 83 A C 0.732 178.289 177.584 -0.045 0.000 1.176 83 A CA 0.516 52.541 52.037 -0.020 0.000 0.834 83 A CB -0.076 18.898 19.000 -0.043 0.000 0.868 83 A HN 0.689 nan 8.150 nan 0.000 0.488 84 A N -1.290 121.512 122.820 -0.029 0.000 2.515 84 A HA 0.647 4.967 4.320 -0.000 0.000 0.298 84 A C 0.428 177.996 177.584 -0.027 0.000 1.059 84 A CA -0.542 51.471 52.037 -0.041 0.000 0.698 84 A CB 1.018 19.987 19.000 -0.053 0.000 1.289 84 A HN 0.069 nan 8.150 nan 0.000 0.404 85 R N 0.417 120.900 120.500 -0.029 0.000 2.093 85 R HA 0.084 4.424 4.340 -0.000 0.000 0.224 85 R C 0.194 176.482 176.300 -0.020 0.000 1.101 85 R CA 1.477 57.564 56.100 -0.022 0.000 0.979 85 R CB 0.029 30.317 30.300 -0.020 0.000 0.877 85 R HN 0.686 nan 8.270 nan 0.000 0.441 86 R N 0.033 120.518 120.500 -0.024 0.000 2.388 86 R HA 0.438 4.778 4.340 -0.000 0.000 0.314 86 R C -1.464 174.816 176.300 -0.033 0.000 0.959 86 R CA -0.643 55.442 56.100 -0.025 0.000 0.851 86 R CB 2.371 32.660 30.300 -0.018 0.000 1.168 86 R HN -0.105 nan 8.270 nan 0.000 0.472 87 V N 5.257 125.148 119.914 -0.038 0.000 2.638 87 V HA 0.511 4.631 4.120 -0.000 0.000 0.306 87 V C -0.273 175.777 176.094 -0.072 0.000 1.052 87 V CA -0.739 61.537 62.300 -0.039 0.000 0.885 87 V CB 2.473 34.284 31.823 -0.021 0.000 0.999 87 V HN 0.635 nan 8.190 nan 0.000 0.424 88 I N 4.302 124.821 120.570 -0.084 0.000 2.406 88 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 88 I C -0.664 175.333 176.117 -0.201 0.000 0.999 88 I CA -0.899 60.319 61.300 -0.137 0.000 1.124 88 I CB 2.124 40.052 38.000 -0.120 0.000 1.289 88 I HN 0.262 nan 8.210 nan 0.000 0.441 89 V N 5.680 125.481 119.914 -0.188 0.000 2.394 89 V HA 0.255 4.375 4.120 -0.000 0.000 0.282 89 V C 0.114 176.061 176.094 -0.244 0.000 1.031 89 V CA -0.644 61.527 62.300 -0.215 0.000 0.881 89 V CB 1.555 33.325 31.823 -0.089 0.000 0.982 89 V HN 0.647 nan 8.190 nan 0.000 0.451 90 Q N 3.139 122.707 119.800 -0.387 0.000 2.294 90 Q HA 0.261 4.601 4.340 -0.000 0.000 0.257 90 Q C 0.330 176.313 176.000 -0.028 0.000 0.955 90 Q CA -0.048 55.616 55.803 -0.232 0.000 0.936 90 Q CB 1.776 30.269 28.738 -0.408 0.000 1.188 90 Q HN 0.829 nan 8.270 nan 0.000 0.420 91 V N 1.092 121.057 119.914 0.085 0.000 3.528 91 V HA 0.472 4.592 4.120 -0.000 0.000 0.294 91 V C 0.774 176.970 176.094 0.170 0.000 1.404 91 V CA 0.177 62.537 62.300 0.100 0.000 1.065 91 V CB -0.084 31.787 31.823 0.081 0.000 0.904 91 V HN 0.633 nan 8.190 nan 0.000 0.435 92 A N 1.016 123.982 122.820 0.243 0.000 2.587 92 A HA 0.515 4.835 4.320 -0.000 0.000 0.233 92 A C 0.377 178.120 177.584 0.265 0.000 1.049 92 A CA 1.313 53.538 52.037 0.313 0.000 0.754 92 A CB 0.020 19.230 19.000 0.351 0.000 0.977 92 A HN 1.137 nan 8.150 nan 0.000 0.509 93 S N 0.877 116.715 115.700 0.230 0.000 2.550 93 S HA 0.472 4.941 4.470 -0.000 0.000 0.270 93 S C 0.250 174.854 174.600 0.008 0.000 1.145 93 S CA -0.711 57.578 58.200 0.150 0.000 0.852 93 S CB 0.775 64.042 63.200 0.111 0.000 1.119 93 S HN 0.637 nan 8.310 nan 0.000 0.465 94 L N 2.282 123.463 121.223 -0.071 0.000 2.610 94 L HA 0.227 4.567 4.340 -0.000 0.000 0.232 94 L C 0.681 177.522 176.870 -0.047 0.000 1.149 94 L CA 0.284 55.042 54.840 -0.137 0.000 0.872 94 L CB -0.341 41.633 42.059 -0.143 0.000 0.992 94 L HN 0.508 nan 8.230 nan 0.000 0.447 95 N N 0.590 119.287 118.700 -0.005 0.000 2.558 95 N HA 0.250 4.990 4.740 -0.000 0.000 0.242 95 N C 0.713 176.253 175.510 0.049 0.000 0.979 95 N CA 0.091 53.146 53.050 0.009 0.000 0.931 95 N CB 1.718 40.211 38.487 0.009 0.000 1.122 95 N HN 0.030 nan 8.380 nan 0.000 0.508 96 A N 3.132 125.995 122.820 0.072 0.000 1.978 96 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 96 A C 1.496 179.132 177.584 0.086 0.000 1.170 96 A CA 1.441 53.576 52.037 0.163 0.000 0.636 96 A CB -0.185 18.937 19.000 0.203 0.000 0.810 96 A HN 0.675 nan 8.150 nan 0.000 0.448 97 D N -0.118 120.308 120.400 0.045 0.000 2.149 97 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 97 D C 1.865 178.180 176.300 0.025 0.000 0.990 97 D CA 1.393 55.407 54.000 0.024 0.000 0.839 97 D CB -0.334 40.474 40.800 0.013 0.000 0.948 97 D HN 0.667 nan 8.370 nan 0.000 0.460 98 E N 0.565 120.785 120.200 0.034 0.000 2.106 98 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 98 E C 2.117 178.744 176.600 0.045 0.000 0.984 98 E CA 0.767 57.185 56.400 0.030 0.000 0.806 98 E CB 0.011 29.728 29.700 0.028 0.000 0.750 98 E HN 0.184 nan 8.360 nan 0.000 0.458 99 A N 1.526 124.394 122.820 0.079 0.000 1.877 99 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 99 A C 2.199 179.797 177.584 0.022 0.000 1.186 99 A CA 1.084 53.170 52.037 0.083 0.000 0.620 99 A CB -0.623 18.474 19.000 0.162 0.000 0.822 99 A HN 0.113 nan 8.150 nan 0.000 0.443 100 I N -0.179 120.389 120.570 -0.003 0.000 2.163 100 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 100 I C 3.010 179.137 176.117 0.016 0.000 1.085 100 I CA 1.203 62.495 61.300 -0.014 0.000 1.347 100 I CB -0.376 37.612 38.000 -0.020 0.000 1.044 100 I HN 0.370 nan 8.210 nan 0.000 0.408 101 A N 0.544 123.378 122.820 0.022 0.000 1.883 101 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 101 A C 2.260 179.880 177.584 0.060 0.000 1.186 101 A CA 1.777 53.834 52.037 0.033 0.000 0.624 101 A CB -0.924 18.082 19.000 0.012 0.000 0.822 101 A HN 0.395 nan 8.150 nan 0.000 0.444 102 L N -0.372 120.877 121.223 0.043 0.000 2.083 102 L HA -0.025 4.314 4.340 -0.000 0.000 0.209 102 L C 2.661 179.592 176.870 0.102 0.000 1.083 102 L CA 2.009 56.891 54.840 0.069 0.000 0.752 102 L CB -0.712 41.366 42.059 0.032 0.000 0.899 102 L HN 0.357 nan 8.230 nan 0.000 0.433 103 A N -0.516 122.343 122.820 0.064 0.000 1.883 103 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 103 A C 2.346 179.964 177.584 0.057 0.000 1.186 103 A CA 2.060 54.128 52.037 0.052 0.000 0.624 103 A CB -0.502 18.516 19.000 0.029 0.000 0.822 103 A HN 0.500 nan 8.150 nan 0.000 0.444 104 K N -1.942 118.497 120.400 0.064 0.000 2.057 104 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 104 K C 1.992 178.636 176.600 0.074 0.000 1.049 104 K CA 1.646 57.967 56.287 0.057 0.000 0.931 104 K CB -0.373 32.160 32.500 0.056 0.000 0.714 104 K HN 0.596 nan 8.250 nan 0.000 0.440 105 Y N 1.488 121.783 120.300 -0.009 0.000 2.145 105 Y HA -0.282 4.268 4.550 -0.000 0.000 0.286 105 Y C 2.253 178.144 175.900 -0.015 0.000 1.145 105 Y CA 1.542 59.635 58.100 -0.012 0.000 1.148 105 Y CB -0.357 38.095 38.460 -0.014 0.000 0.981 105 Y HN 0.061 nan 8.280 nan 0.000 0.507 106 A N 0.103 122.985 122.820 0.104 0.000 1.883 106 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 106 A C 2.221 179.768 177.584 -0.061 0.000 1.186 106 A CA 2.003 54.047 52.037 0.011 0.000 0.624 106 A CB -1.044 17.977 19.000 0.034 0.000 0.822 106 A HN 0.660 nan 8.150 nan 0.000 0.444 107 E N 0.352 120.531 120.200 -0.036 0.000 2.058 107 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 107 E C 2.170 178.722 176.600 -0.079 0.000 0.997 107 E CA 1.930 58.305 56.400 -0.040 0.000 0.801 107 E CB -0.205 29.487 29.700 -0.014 0.000 0.746 107 E HN 0.720 nan 8.360 nan 0.000 0.450 108 S N 0.056 115.684 115.700 -0.120 0.000 2.399 108 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 108 S C 1.765 176.242 174.600 -0.206 0.000 1.022 108 S CA 0.642 58.746 58.200 -0.160 0.000 0.983 108 S CB -0.191 62.894 63.200 -0.192 0.000 0.803 108 S HN 0.190 nan 8.310 nan 0.000 0.480 109 R N 0.971 121.313 120.500 -0.265 0.000 2.320 109 R HA 0.248 4.588 4.340 -0.000 0.000 0.211 109 R C 1.542 177.771 176.300 -0.118 0.000 0.931 109 R CA 0.597 56.565 56.100 -0.220 0.000 1.071 109 R CB -0.662 29.474 30.300 -0.273 0.000 1.025 109 R HN 0.698 nan 8.270 nan 0.000 0.495 110 G N 0.515 109.260 108.800 -0.093 0.000 2.141 110 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.242 110 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.242 110 G C 0.346 175.218 174.900 -0.046 0.000 0.982 110 G CA 0.100 45.166 45.100 -0.058 0.000 0.662 110 G HN 0.547 nan 8.290 nan 0.000 0.527 111 A N 0.422 123.211 122.820 -0.051 0.000 2.531 111 A HA 0.499 4.819 4.320 -0.000 0.000 0.236 111 A C 1.389 178.949 177.584 -0.040 0.000 1.062 111 A CA 1.279 53.288 52.037 -0.046 0.000 0.760 111 A CB 0.197 19.168 19.000 -0.049 0.000 0.995 111 A HN 1.199 nan 8.150 nan 0.000 0.501 112 E N 1.524 121.697 120.200 -0.046 0.000 2.285 112 E HA 0.340 4.690 4.350 -0.000 0.000 0.194 112 E C 0.481 177.058 176.600 -0.038 0.000 0.997 112 E CA 0.870 57.252 56.400 -0.031 0.000 0.845 112 E CB 0.019 29.706 29.700 -0.022 0.000 0.782 112 E HN 0.954 nan 8.360 nan 0.000 0.491 113 A N 0.277 123.039 122.820 -0.098 0.000 2.586 113 A HA 0.529 4.849 4.320 -0.000 0.000 0.290 113 A C -1.042 176.467 177.584 -0.124 0.000 1.086 113 A CA -0.387 51.581 52.037 -0.117 0.000 0.665 113 A CB 1.564 20.365 19.000 -0.331 0.000 1.279 113 A HN 0.398 nan 8.150 nan 0.000 0.423 114 V N -2.193 117.695 119.914 -0.043 0.000 2.864 114 V HA 1.012 5.132 4.120 -0.000 0.000 0.314 114 V C 0.067 176.215 176.094 0.089 0.000 1.073 114 V CA -0.215 62.083 62.300 -0.002 0.000 0.956 114 V CB 1.147 32.995 31.823 0.042 0.000 1.023 114 V HN 2.329 nan 8.190 nan 0.000 0.435 115 A N 2.097 125.000 122.820 0.138 0.000 2.423 115 A HA 0.951 5.271 4.320 -0.000 0.000 0.304 115 A C -0.361 177.446 177.584 0.371 0.000 1.104 115 A CA -0.399 51.848 52.037 0.350 0.000 0.757 115 A CB 2.010 21.309 19.000 0.499 0.000 1.313 115 A HN 1.581 nan 8.150 nan 0.000 0.423 116 S N 0.457 116.472 115.700 0.526 0.000 2.548 116 S HA 0.590 5.060 4.470 -0.000 0.000 0.276 116 S C -0.658 174.319 174.600 0.630 0.000 1.129 116 S CA -0.607 57.907 58.200 0.525 0.000 0.931 116 S CB 0.526 63.978 63.200 0.420 0.000 1.068 116 S HN 0.683 nan 8.310 nan 0.000 0.480 117 L N 4.151 125.666 121.223 0.486 0.000 2.499 117 L HA 0.243 4.583 4.340 -0.000 0.000 0.281 117 L C -1.965 175.127 176.870 0.370 0.000 1.234 117 L CA -1.325 53.695 54.840 0.299 0.000 0.839 117 L CB -0.068 42.058 42.059 0.112 0.000 1.104 117 L HN 0.491 nan 8.230 nan 0.000 0.500 118 P HA 0.138 nan 4.420 nan 0.000 0.272 118 P C -2.506 174.809 177.300 0.026 0.000 1.240 118 P CA -1.312 61.969 63.100 0.301 0.000 0.791 118 P CB -0.193 31.732 31.700 0.376 0.000 0.978 119 P HA -0.058 nan 4.420 nan 0.000 0.260 119 P C -0.814 176.475 177.300 -0.018 0.000 1.172 119 P CA 0.925 63.848 63.100 -0.295 0.000 0.760 119 P CB -0.324 31.188 31.700 -0.314 0.000 0.773 120 Y N 2.035 122.331 120.300 -0.007 0.000 2.772 120 Y HA 0.475 5.025 4.550 -0.000 0.000 0.324 120 Y C 1.481 177.442 175.900 0.102 0.000 1.169 120 Y CA -1.245 56.869 58.100 0.025 0.000 1.198 120 Y CB -0.163 38.288 38.460 -0.014 0.000 1.402 120 Y HN 0.438 nan 8.280 nan 0.000 0.577 121 Y N -0.740 119.605 120.300 0.074 0.000 2.723 121 Y HA -0.399 4.151 4.550 0.000 0.000 0.485 121 Y C -0.382 175.382 175.900 -0.226 0.000 1.075 121 Y CA 1.192 59.196 58.100 -0.160 0.000 3.005 121 Y CB -1.767 36.446 38.460 -0.411 0.000 0.954 121 Y HN 0.548 nan 8.280 nan 0.000 0.570 122 F N 5.035 124.946 119.950 -0.066 0.000 2.541 122 F HA 0.329 4.856 4.527 -0.000 0.000 0.378 122 F C -1.674 174.037 175.800 -0.148 0.000 1.068 122 F CA -1.451 56.481 58.000 -0.113 0.000 1.199 122 F CB -0.073 38.926 39.000 -0.003 0.000 1.091 122 F HN -0.092 nan 8.300 nan 0.000 0.555 123 P HA 0.216 nan 4.420 nan 0.000 0.274 123 P C -0.395 176.922 177.300 0.029 0.000 1.231 123 P CA -0.393 62.689 63.100 -0.029 0.000 0.790 123 P CB 0.561 32.217 31.700 -0.074 0.000 0.951 124 R N -0.443 120.069 120.500 0.019 0.000 3.531 124 R HA -0.157 4.183 4.340 -0.000 0.000 0.280 124 R C -0.198 176.116 176.300 0.023 0.000 1.130 124 R CA 0.056 56.168 56.100 0.020 0.000 0.757 124 R CB -2.273 28.034 30.300 0.013 0.000 1.218 124 R HN 0.472 nan 8.270 nan 0.000 0.454 125 L N 0.790 122.031 121.223 0.030 0.000 2.482 125 L HA 0.077 4.417 4.340 -0.000 0.000 0.273 125 L C 1.482 178.362 176.870 0.016 0.000 1.228 125 L CA 0.368 55.213 54.840 0.009 0.000 0.827 125 L CB 0.572 42.634 42.059 0.006 0.000 1.099 125 L HN 0.250 nan 8.230 nan 0.000 0.494 126 S N 0.223 115.928 115.700 0.010 0.000 2.632 126 S HA 0.144 4.614 4.470 -0.000 0.000 0.267 126 S C 0.818 175.441 174.600 0.039 0.000 1.276 126 S CA -0.829 57.384 58.200 0.020 0.000 0.998 126 S CB 1.365 64.573 63.200 0.013 0.000 0.953 126 S HN 0.575 nan 8.310 nan 0.000 0.547 127 E N 1.247 121.472 120.200 0.042 0.000 2.118 127 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 127 E C 2.018 178.658 176.600 0.067 0.000 0.992 127 E CA 1.101 57.536 56.400 0.058 0.000 0.804 127 E CB -0.368 29.360 29.700 0.046 0.000 0.741 127 E HN 0.781 nan 8.360 nan 0.000 0.458 128 R N 0.948 121.478 120.500 0.050 0.000 2.081 128 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 128 R C 2.288 178.627 176.300 0.065 0.000 1.131 128 R CA 1.496 57.628 56.100 0.053 0.000 0.960 128 R CB 0.017 30.338 30.300 0.035 0.000 0.856 128 R HN 0.211 nan 8.270 nan 0.000 0.436 129 Q N 0.086 119.917 119.800 0.051 0.000 2.050 129 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 129 Q C 2.207 178.265 176.000 0.096 0.000 0.980 129 Q CA 1.807 57.638 55.803 0.047 0.000 0.840 129 Q CB -0.103 28.637 28.738 0.004 0.000 0.898 129 Q HN 0.406 nan 8.270 nan 0.000 0.424 130 I N 0.587 121.227 120.570 0.116 0.000 2.179 130 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 130 I C 2.417 178.726 176.117 0.319 0.000 1.088 130 I CA 1.081 62.504 61.300 0.205 0.000 1.357 130 I CB -0.402 37.725 38.000 0.211 0.000 1.051 130 I HN 0.174 nan 8.210 nan 0.000 0.409 131 A N 0.572 123.533 122.820 0.234 0.000 1.902 131 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 131 A C 2.387 180.096 177.584 0.209 0.000 1.181 131 A CA 1.909 54.084 52.037 0.231 0.000 0.623 131 A CB -0.543 18.539 19.000 0.138 0.000 0.818 131 A HN 0.356 nan 8.150 nan 0.000 0.443 132 K N -1.641 118.850 120.400 0.151 0.000 2.032 132 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 132 K C 1.930 178.594 176.600 0.107 0.000 1.048 132 K CA 1.891 58.243 56.287 0.109 0.000 0.927 132 K CB -0.453 32.094 32.500 0.078 0.000 0.712 132 K HN 0.502 nan 8.250 nan 0.000 0.441 133 Y N 0.471 120.773 120.300 0.004 0.000 2.053 133 Y HA -0.294 4.256 4.550 -0.000 0.000 0.277 133 Y C 1.780 177.617 175.900 -0.105 0.000 1.159 133 Y CA 2.150 60.192 58.100 -0.097 0.000 1.125 133 Y CB -0.567 37.770 38.460 -0.205 0.000 0.969 133 Y HN 0.048 nan 8.280 nan 0.000 0.492 134 F N 0.104 120.085 119.950 0.051 0.000 2.186 134 F HA -0.109 4.418 4.527 0.000 0.000 0.299 134 F C 2.519 178.288 175.800 -0.051 0.000 1.090 134 F CA 1.783 59.767 58.000 -0.027 0.000 1.307 134 F CB -0.541 38.527 39.000 0.112 0.000 1.019 134 F HN -0.069 nan 8.300 nan 0.000 0.489 135 R N -0.010 120.588 120.500 0.164 0.000 2.092 135 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 135 R C 1.722 178.037 176.300 0.026 0.000 1.119 135 R CA 1.457 57.614 56.100 0.094 0.000 0.970 135 R CB -0.430 29.922 30.300 0.087 0.000 0.864 135 R HN 0.172 nan 8.270 nan 0.000 0.440 136 D N 0.632 121.016 120.400 -0.026 0.000 2.144 136 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 136 D C 1.886 178.134 176.300 -0.087 0.000 0.984 136 D CA 0.939 54.904 54.000 -0.058 0.000 0.834 136 D CB -0.064 40.689 40.800 -0.078 0.000 0.955 136 D HN 0.159 nan 8.370 nan 0.000 0.465 137 L N 0.090 121.216 121.223 -0.161 0.000 2.017 137 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 137 L C 2.541 179.405 176.870 -0.010 0.000 1.073 137 L CA 0.886 55.654 54.840 -0.121 0.000 0.745 137 L CB -0.398 41.553 42.059 -0.180 0.000 0.894 137 L HN 0.153 nan 8.230 nan 0.000 0.432 138 c N -0.535 118.085 118.600 0.035 0.000 2.425 138 c HA -0.141 4.429 4.570 -0.000 0.000 0.277 138 c C 3.204 177.317 174.090 0.039 0.000 1.280 138 c CA 1.218 57.584 56.329 0.061 0.000 1.744 138 c CB -0.932 41.626 42.510 0.081 0.000 1.989 138 c HN 0.695 nan 8.230 nan 0.000 0.491 139 S N 0.974 116.688 115.700 0.023 0.000 2.489 139 S HA 0.118 4.588 4.470 -0.000 0.000 0.228 139 S C 1.729 176.336 174.600 0.013 0.000 0.995 139 S CA 1.033 59.244 58.200 0.018 0.000 0.934 139 S CB -0.259 62.950 63.200 0.015 0.000 0.771 139 S HN 0.572 nan 8.310 nan 0.000 0.522 140 A N 1.188 124.011 122.820 0.006 0.000 2.016 140 A HA 0.468 4.788 4.320 -0.000 0.000 0.217 140 A C 1.056 178.648 177.584 0.015 0.000 1.162 140 A CA 0.824 52.864 52.037 0.005 0.000 0.662 140 A CB -0.467 18.529 19.000 -0.007 0.000 0.812 140 A HN 1.101 nan 8.150 nan 0.000 0.450 141 V N -4.957 114.971 119.914 0.022 0.000 3.130 141 V HA 0.664 4.784 4.120 -0.000 0.000 0.310 141 V C 0.438 176.551 176.094 0.033 0.000 1.158 141 V CA -0.001 62.315 62.300 0.027 0.000 1.029 141 V CB 1.485 33.328 31.823 0.032 0.000 1.057 141 V HN -0.026 nan 8.190 nan 0.000 0.436 142 S N 1.319 117.037 115.700 0.030 0.000 2.492 142 S HA 0.345 4.815 4.470 -0.000 0.000 0.218 142 S C 0.813 175.440 174.600 0.045 0.000 1.016 142 S CA 0.471 58.691 58.200 0.034 0.000 0.916 142 S CB -0.357 62.858 63.200 0.024 0.000 0.791 142 S HN 0.811 nan 8.310 nan 0.000 0.513 143 I N 0.501 121.098 120.570 0.046 0.000 2.945 143 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 143 I C -2.810 173.364 176.117 0.096 0.000 1.093 143 I CA -2.538 58.797 61.300 0.059 0.000 1.336 143 I CB -0.344 37.680 38.000 0.040 0.000 1.435 143 I HN -0.193 nan 8.210 nan 0.000 0.593 144 P HA 0.086 nan 4.420 nan 0.000 0.266 144 P C -0.761 176.707 177.300 0.279 0.000 1.195 144 P CA -0.065 63.170 63.100 0.225 0.000 0.768 144 P CB 0.613 32.521 31.700 0.348 0.000 0.838 145 V N 4.532 124.623 119.914 0.295 0.000 2.417 145 V HA 0.338 4.458 4.120 -0.000 0.000 0.291 145 V C -0.142 176.232 176.094 0.465 0.000 1.024 145 V CA -0.327 62.174 62.300 0.335 0.000 0.861 145 V CB 0.455 32.419 31.823 0.235 0.000 0.985 145 V HN 0.320 nan 8.190 nan 0.000 0.436 146 F N 4.193 124.240 119.950 0.162 0.000 2.422 146 F HA 0.549 5.076 4.527 0.000 0.000 0.333 146 F C 0.064 175.990 175.800 0.209 0.000 1.095 146 F CA -1.377 56.716 58.000 0.154 0.000 1.038 146 F CB 1.615 40.718 39.000 0.172 0.000 1.156 146 F HN 0.320 nan 8.300 nan 0.000 0.483 147 L N 5.037 126.387 121.223 0.213 0.000 2.360 147 L HA 0.185 4.525 4.340 -0.000 0.000 0.276 147 L C -1.240 175.833 176.870 0.339 0.000 1.121 147 L CA -0.190 54.765 54.840 0.192 0.000 0.845 147 L CB -0.080 41.917 42.059 -0.103 0.000 1.143 147 L HN 0.467 nan 8.230 nan 0.000 0.452 148 Y N 5.437 125.923 120.300 0.309 0.000 2.491 148 Y HA 0.442 4.992 4.550 -0.000 0.000 0.334 148 Y C -0.691 175.364 175.900 0.258 0.000 0.969 148 Y CA -1.416 56.850 58.100 0.277 0.000 1.241 148 Y CB 0.463 39.167 38.460 0.408 0.000 1.105 148 Y HN 0.821 nan 8.280 nan 0.000 0.503 149 N N 4.723 123.597 118.700 0.291 0.000 2.421 149 N HA 0.266 5.006 4.740 -0.000 0.000 0.285 149 N C -2.001 173.601 175.510 0.154 0.000 1.027 149 N CA -0.197 52.961 53.050 0.181 0.000 0.918 149 N CB 0.503 39.123 38.487 0.222 0.000 1.152 149 N HN 0.487 nan 8.380 nan 0.000 0.485 150 Y N 5.711 125.967 120.300 -0.074 0.000 2.580 150 Y HA 0.385 4.935 4.550 -0.000 0.000 0.305 150 Y C -2.332 173.530 175.900 -0.063 0.000 1.069 150 Y CA -2.175 55.871 58.100 -0.090 0.000 1.193 150 Y CB 0.817 39.135 38.460 -0.237 0.000 1.126 150 Y HN 0.566 nan 8.280 nan 0.000 0.610 151 P HA -0.173 nan 4.420 nan 0.000 0.216 151 P C 1.502 178.818 177.300 0.027 0.000 1.150 151 P CA 2.514 65.661 63.100 0.078 0.000 0.843 151 P CB 0.300 32.017 31.700 0.028 0.000 0.787 152 A N -0.418 122.450 122.820 0.080 0.000 1.972 152 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 152 A C 2.244 179.705 177.584 -0.206 0.000 1.169 152 A CA 2.056 54.084 52.037 -0.016 0.000 0.635 152 A CB -1.350 17.711 19.000 0.101 0.000 0.810 152 A HN 0.235 nan 8.150 nan 0.000 0.446 153 A N -1.146 121.366 122.820 -0.513 0.000 1.956 153 A HA 0.266 4.586 4.320 -0.000 0.000 0.212 153 A C 2.074 179.476 177.584 -0.303 0.000 1.188 153 A CA 1.149 52.847 52.037 -0.565 0.000 0.675 153 A CB -0.412 17.929 19.000 -1.098 0.000 0.845 153 A HN 0.298 nan 8.150 nan 0.000 0.455 154 V N -0.706 119.078 119.914 -0.217 0.000 2.591 154 V HA 0.157 4.277 4.120 -0.000 0.000 0.249 154 V C 2.082 178.178 176.094 0.004 0.000 1.053 154 V CA 1.550 63.822 62.300 -0.048 0.000 1.068 154 V CB -0.850 30.979 31.823 0.009 0.000 0.689 154 V HN 1.075 nan 8.190 nan 0.000 0.462 155 G N 1.163 109.946 108.800 -0.029 0.000 2.176 155 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 155 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 155 G C 0.275 175.177 174.900 0.002 0.000 0.979 155 G CA 0.326 45.410 45.100 -0.026 0.000 0.641 155 G HN 0.771 nan 8.290 nan 0.000 0.530 156 R N -0.785 119.734 120.500 0.032 0.000 2.764 156 R HA 0.717 5.057 4.340 -0.000 0.000 0.270 156 R C -2.091 174.256 176.300 0.078 0.000 1.014 156 R CA -0.924 55.207 56.100 0.052 0.000 0.904 156 R CB 1.201 31.542 30.300 0.069 0.000 1.236 156 R HN 0.066 nan 8.270 nan 0.000 0.466 157 D N 0.723 121.176 120.400 0.088 0.000 2.362 157 D HA 0.359 4.999 4.640 -0.000 0.000 0.247 157 D C -1.188 175.203 176.300 0.151 0.000 1.050 157 D CA -0.725 53.351 54.000 0.127 0.000 0.839 157 D CB 2.300 43.167 40.800 0.112 0.000 1.283 157 D HN 0.349 nan 8.370 nan 0.000 0.477 158 V N 4.795 124.825 119.914 0.194 0.000 2.275 158 V HA 0.228 4.348 4.120 -0.000 0.000 0.272 158 V C -0.023 176.197 176.094 0.210 0.000 1.028 158 V CA -0.850 61.543 62.300 0.155 0.000 0.810 158 V CB 0.569 32.459 31.823 0.110 0.000 1.043 158 V HN 0.621 nan 8.190 nan 0.000 0.453 159 D N 4.276 124.727 120.400 0.086 0.000 2.414 159 D HA 0.314 4.954 4.640 -0.000 0.000 0.251 159 D C 1.410 177.508 176.300 -0.337 0.000 1.252 159 D CA 0.087 53.997 54.000 -0.149 0.000 0.999 159 D CB 1.151 41.819 40.800 -0.221 0.000 1.093 159 D HN 0.325 nan 8.370 nan 0.000 0.515 160 A N 0.106 122.396 122.820 -0.883 0.000 1.908 160 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 160 A C 2.242 179.445 177.584 -0.635 0.000 1.181 160 A CA 1.603 53.168 52.037 -0.786 0.000 0.627 160 A CB -0.617 17.874 19.000 -0.849 0.000 0.818 160 A HN 0.579 nan 8.150 nan 0.000 0.445 161 R N -0.799 119.192 120.500 -0.848 0.000 2.073 161 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 161 R C 2.536 178.652 176.300 -0.307 0.000 1.134 161 R CA 1.278 56.939 56.100 -0.732 0.000 0.952 161 R CB -0.486 29.476 30.300 -0.563 0.000 0.850 161 R HN 0.527 nan 8.270 nan 0.000 0.433 162 A N 1.108 123.799 122.820 -0.214 0.000 1.902 162 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 162 A C 2.346 179.886 177.584 -0.074 0.000 1.181 162 A CA 1.702 53.681 52.037 -0.097 0.000 0.623 162 A CB -0.564 18.408 19.000 -0.047 0.000 0.818 162 A HN 0.416 nan 8.150 nan 0.000 0.443 163 A N -0.251 122.532 122.820 -0.062 0.000 1.933 163 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 163 A C 2.129 179.692 177.584 -0.035 0.000 1.175 163 A CA 1.946 53.958 52.037 -0.041 0.000 0.628 163 A CB -0.446 18.605 19.000 0.085 0.000 0.814 163 A HN 0.560 nan 8.150 nan 0.000 0.444 164 K N -0.358 120.025 120.400 -0.028 0.000 2.057 164 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 164 K C 1.992 178.594 176.600 0.004 0.000 1.049 164 K CA 1.837 58.130 56.287 0.010 0.000 0.931 164 K CB -0.135 32.402 32.500 0.061 0.000 0.714 164 K HN 0.396 nan 8.250 nan 0.000 0.440 165 E N 0.935 121.126 120.200 -0.015 0.000 2.204 165 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 165 E C 1.851 178.458 176.600 0.010 0.000 0.990 165 E CA 0.889 57.289 56.400 -0.000 0.000 0.821 165 E CB -0.168 29.526 29.700 -0.009 0.000 0.750 165 E HN 0.361 nan 8.360 nan 0.000 0.477 166 L N -0.828 120.394 121.223 -0.001 0.000 2.079 166 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 166 L C 1.922 178.809 176.870 0.028 0.000 1.081 166 L CA 1.152 56.002 54.840 0.017 0.000 0.752 166 L CB -0.559 41.480 42.059 -0.032 0.000 0.896 166 L HN 0.520 nan 8.230 nan 0.000 0.433 167 G N -1.093 107.717 108.800 0.016 0.000 2.159 167 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.256 167 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.256 167 G C 0.629 175.545 174.900 0.027 0.000 0.977 167 G CA 0.278 45.392 45.100 0.023 0.000 0.652 167 G HN 0.569 nan 8.290 nan 0.000 0.531 168 c N -1.341 117.275 118.600 0.027 0.000 3.865 168 c HA 0.675 5.245 4.570 -0.000 0.000 0.297 168 c C 0.623 174.734 174.090 0.034 0.000 1.758 168 c CA -1.294 55.058 56.329 0.038 0.000 1.778 168 c CB -0.563 41.983 42.510 0.059 0.000 3.158 168 c HN 0.296 nan 8.230 nan 0.000 0.598 169 I N 2.748 123.318 120.570 -0.001 0.000 2.517 169 I HA 0.242 4.412 4.170 -0.000 0.000 0.285 169 I C 1.130 177.210 176.117 -0.061 0.000 1.106 169 I CA 0.760 62.041 61.300 -0.032 0.000 1.402 169 I CB 0.218 38.161 38.000 -0.093 0.000 1.399 169 I HN 0.426 nan 8.210 nan 0.000 0.535 170 R N 3.425 123.875 120.500 -0.082 0.000 2.437 170 R HA 0.380 4.720 4.340 -0.000 0.000 0.257 170 R C 0.529 176.552 176.300 -0.462 0.000 0.927 170 R CA -0.182 55.834 56.100 -0.140 0.000 1.078 170 R CB 1.002 31.304 30.300 0.003 0.000 1.161 170 R HN 0.822 nan 8.270 nan 0.000 0.529 171 G N -0.356 107.953 108.800 -0.818 0.000 2.673 171 G HA2 0.476 4.436 3.960 -0.000 0.000 0.292 171 G HA3 0.476 4.436 3.960 -0.000 0.000 0.292 171 G C -1.706 172.697 174.900 -0.829 0.000 1.450 171 G CA -0.369 43.844 45.100 -1.477 0.000 0.837 171 G HN -0.080 nan 8.290 nan 0.000 0.505 172 V N 1.196 120.824 119.914 -0.477 0.000 2.686 172 V HA 0.624 4.744 4.120 -0.000 0.000 0.306 172 V C -0.525 175.558 176.094 -0.018 0.000 1.065 172 V CA -1.053 61.078 62.300 -0.283 0.000 0.894 172 V CB 2.037 33.457 31.823 -0.672 0.000 1.004 172 V HN 0.734 nan 8.190 nan 0.000 0.424 173 K N 2.934 123.377 120.400 0.072 0.000 2.307 173 K HA 0.468 4.788 4.320 -0.000 0.000 0.263 173 K C -1.617 175.034 176.600 0.086 0.000 0.973 173 K CA -0.338 55.981 56.287 0.053 0.000 0.846 173 K CB 1.708 34.110 32.500 -0.164 0.000 1.100 173 K HN 0.787 nan 8.250 nan 0.000 0.438 174 D N 2.856 123.283 120.400 0.044 0.000 2.464 174 D HA 0.175 4.815 4.640 -0.000 0.000 0.243 174 D C -1.119 175.202 176.300 0.036 0.000 1.104 174 D CA -0.202 53.854 54.000 0.093 0.000 0.883 174 D CB 1.095 42.005 40.800 0.184 0.000 1.050 174 D HN 0.267 nan 8.370 nan 0.000 0.524 175 T N 4.391 118.929 114.554 -0.026 0.000 2.997 175 T HA 0.339 4.689 4.350 -0.000 0.000 0.311 175 T C -0.369 174.198 174.700 -0.222 0.000 1.079 175 T CA -0.474 61.473 62.100 -0.256 0.000 0.982 175 T CB -0.227 68.248 68.868 -0.655 0.000 1.032 175 T HN 0.255 nan 8.240 nan 0.000 0.581 176 N N 1.975 120.608 118.700 -0.110 0.000 2.521 176 N HA 0.101 4.841 4.740 -0.000 0.000 0.269 176 N C -0.033 175.456 175.510 -0.035 0.000 1.079 176 N CA -0.447 52.570 53.050 -0.054 0.000 0.980 176 N CB 2.047 40.521 38.487 -0.022 0.000 1.667 176 N HN 0.342 nan 8.380 nan 0.000 0.498 177 E N 0.084 120.267 120.200 -0.028 0.000 2.478 177 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 177 E C -0.031 176.568 176.600 -0.002 0.000 1.045 177 E CA 0.224 56.616 56.400 -0.013 0.000 0.868 177 E CB 0.291 29.988 29.700 -0.005 0.000 0.885 177 E HN 0.388 nan 8.360 nan 0.000 0.505 178 S N 0.857 116.557 115.700 -0.000 0.000 2.485 178 S HA 0.068 4.538 4.470 -0.000 0.000 0.312 178 S C 0.885 175.523 174.600 0.064 0.000 1.102 178 S CA -0.466 57.751 58.200 0.029 0.000 1.066 178 S CB 0.378 63.597 63.200 0.033 0.000 1.102 178 S HN 0.243 nan 8.310 nan 0.000 0.519 179 L N 6.171 127.414 121.223 0.033 0.000 2.141 179 L HA 0.129 4.469 4.340 -0.000 0.000 0.209 179 L C 2.378 179.271 176.870 0.038 0.000 1.094 179 L CA 2.256 57.110 54.840 0.024 0.000 0.763 179 L CB -0.898 41.149 42.059 -0.020 0.000 0.908 179 L HN 0.775 nan 8.230 nan 0.000 0.437 180 A N -1.599 121.243 122.820 0.037 0.000 1.930 180 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 180 A C 2.351 179.953 177.584 0.030 0.000 1.175 180 A CA 1.518 53.568 52.037 0.023 0.000 0.627 180 A CB -1.026 17.984 19.000 0.015 0.000 0.815 180 A HN 0.688 nan 8.150 nan 0.000 0.443 181 H N 0.174 119.228 119.070 -0.025 0.000 2.352 181 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 181 H C 1.883 177.190 175.328 -0.034 0.000 1.097 181 H CA 2.107 58.122 56.048 -0.055 0.000 1.311 181 H CB -0.111 29.645 29.762 -0.010 0.000 1.377 181 H HN 0.434 nan 8.280 nan 0.000 0.504 182 T N 1.333 116.012 114.554 0.209 0.000 2.812 182 T HA -0.045 4.305 4.350 -0.000 0.000 0.264 182 T C 2.474 177.275 174.700 0.169 0.000 1.042 182 T CA 0.856 63.128 62.100 0.287 0.000 1.140 182 T CB -0.266 68.713 68.868 0.185 0.000 0.870 182 T HN 0.204 nan 8.240 nan 0.000 0.445 183 L N 0.975 122.231 121.223 0.054 0.000 2.127 183 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 183 L C 2.924 179.789 176.870 -0.007 0.000 1.089 183 L CA 1.013 55.862 54.840 0.014 0.000 0.757 183 L CB -0.585 41.467 42.059 -0.011 0.000 0.899 183 L HN 0.254 nan 8.230 nan 0.000 0.434 184 A N -0.808 121.962 122.820 -0.082 0.000 2.019 184 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 184 A C 1.939 179.482 177.584 -0.068 0.000 1.164 184 A CA 1.303 53.278 52.037 -0.104 0.000 0.644 184 A CB -0.726 18.129 19.000 -0.242 0.000 0.805 184 A HN 0.418 nan 8.150 nan 0.000 0.449 185 Y N 0.196 120.476 120.300 -0.034 0.000 2.274 185 Y HA -0.139 4.411 4.550 0.000 0.000 0.290 185 Y C 2.350 178.242 175.900 -0.013 0.000 1.145 185 Y CA 1.635 59.718 58.100 -0.028 0.000 1.203 185 Y CB -0.168 38.248 38.460 -0.073 0.000 0.984 185 Y HN 0.224 nan 8.280 nan 0.000 0.533 186 K N -0.013 120.450 120.400 0.104 0.000 2.148 186 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 186 K C 2.240 178.840 176.600 -0.000 0.000 1.050 186 K CA 0.936 57.238 56.287 0.025 0.000 0.942 186 K CB -0.113 32.379 32.500 -0.013 0.000 0.724 186 K HN 0.249 nan 8.250 nan 0.000 0.446 187 R N 0.072 120.567 120.500 -0.008 0.000 2.066 187 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 187 R C 1.590 177.797 176.300 -0.155 0.000 1.131 187 R CA 1.547 57.586 56.100 -0.102 0.000 0.955 187 R CB -0.107 30.107 30.300 -0.144 0.000 0.851 187 R HN 0.197 nan 8.270 nan 0.000 0.432 188 Y N -0.336 119.926 120.300 -0.062 0.000 2.448 188 Y HA 0.177 4.727 4.550 -0.000 0.000 0.289 188 Y C 0.519 176.402 175.900 -0.029 0.000 1.114 188 Y CA 0.344 58.413 58.100 -0.052 0.000 1.235 188 Y CB 0.647 39.063 38.460 -0.074 0.000 1.045 188 Y HN -0.038 nan 8.280 nan 0.000 0.554 189 L N 1.276 122.575 121.223 0.126 0.000 2.556 189 L HA 0.285 4.625 4.340 -0.000 0.000 0.243 189 L C -2.137 174.739 176.870 0.010 0.000 1.331 189 L CA -1.383 53.493 54.840 0.059 0.000 0.927 189 L CB 1.206 43.300 42.059 0.057 0.000 1.219 189 L HN -0.087 nan 8.230 nan 0.000 0.490 190 P HA -0.126 nan 4.420 nan 0.000 0.222 190 P C 1.107 178.389 177.300 -0.030 0.000 1.147 190 P CA 0.933 64.018 63.100 -0.026 0.000 0.790 190 P CB 0.281 31.962 31.700 -0.032 0.000 0.780 191 Q N -1.089 118.695 119.800 -0.027 0.000 2.392 191 Q HA 0.219 4.559 4.340 -0.000 0.000 0.203 191 Q C 0.911 176.882 176.000 -0.049 0.000 0.917 191 Q CA 0.031 55.816 55.803 -0.029 0.000 0.939 191 Q CB -0.269 28.459 28.738 -0.016 0.000 1.063 191 Q HN 0.142 nan 8.270 nan 0.000 0.516 192 A N 1.632 124.409 122.820 -0.072 0.000 2.371 192 A HA 0.325 4.645 4.320 -0.000 0.000 0.257 192 A C 0.019 177.502 177.584 -0.169 0.000 1.089 192 A CA -0.325 51.630 52.037 -0.137 0.000 0.794 192 A CB 0.398 19.307 19.000 -0.151 0.000 1.029 192 A HN 0.091 nan 8.150 nan 0.000 0.488 193 R N 1.238 121.602 120.500 -0.227 0.000 2.234 193 R HA 0.410 4.750 4.340 -0.000 0.000 0.324 193 R C -1.252 174.800 176.300 -0.413 0.000 1.054 193 R CA -0.281 55.663 56.100 -0.261 0.000 0.912 193 R CB 0.882 31.166 30.300 -0.028 0.000 1.030 193 R HN 0.411 nan 8.270 nan 0.000 0.455 194 V N 5.162 124.762 119.914 -0.524 0.000 2.409 194 V HA 0.358 4.478 4.120 -0.000 0.000 0.291 194 V C -0.957 174.797 176.094 -0.567 0.000 1.020 194 V CA -0.821 61.236 62.300 -0.405 0.000 0.848 194 V CB 1.055 32.767 31.823 -0.185 0.000 0.990 194 V HN 0.592 nan 8.190 nan 0.000 0.430 195 Y N 2.631 122.883 120.300 -0.081 0.000 2.446 195 Y HA 0.444 4.994 4.550 0.000 0.000 0.345 195 Y C 0.430 176.272 175.900 -0.096 0.000 0.984 195 Y CA -0.723 57.325 58.100 -0.086 0.000 1.058 195 Y CB 1.548 39.952 38.460 -0.093 0.000 1.220 195 Y HN 0.568 nan 8.280 nan 0.000 0.455 196 N N 0.802 119.516 118.700 0.024 0.000 2.498 196 N HA 0.214 4.954 4.740 -0.000 0.000 0.287 196 N C 0.452 175.931 175.510 -0.051 0.000 1.097 196 N CA 0.073 53.114 53.050 -0.015 0.000 0.973 196 N CB 1.778 40.235 38.487 -0.051 0.000 1.153 196 N HN 1.032 nan 8.380 nan 0.000 0.472 197 G N 0.927 109.684 108.800 -0.071 0.000 3.233 197 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.234 197 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.234 197 G C 0.241 175.067 174.900 -0.123 0.000 1.137 197 G CA -0.107 44.922 45.100 -0.119 0.000 0.763 197 G HN 0.503 nan 8.290 nan 0.000 0.549 198 S N 0.258 115.899 115.700 -0.099 0.000 2.475 198 S HA 0.212 4.682 4.470 -0.000 0.000 0.281 198 S C 0.971 175.539 174.600 -0.053 0.000 1.198 198 S CA -0.601 57.550 58.200 -0.082 0.000 1.063 198 S CB 0.915 64.077 63.200 -0.063 0.000 0.972 198 S HN 0.214 nan 8.310 nan 0.000 0.486 199 D N 3.055 123.436 120.400 -0.032 0.000 2.182 199 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 199 D C 1.836 178.157 176.300 0.035 0.000 0.986 199 D CA 1.639 55.645 54.000 0.009 0.000 0.847 199 D CB -0.094 40.738 40.800 0.053 0.000 0.942 199 D HN 0.721 nan 8.370 nan 0.000 0.467 200 S N -0.238 115.482 115.700 0.032 0.000 2.561 200 S HA 0.015 4.485 4.470 -0.000 0.000 0.225 200 S C 1.624 176.263 174.600 0.066 0.000 0.977 200 S CA 0.151 58.395 58.200 0.072 0.000 0.926 200 S CB -0.081 63.155 63.200 0.061 0.000 0.769 200 S HN 0.209 nan 8.310 nan 0.000 0.533 201 L N 0.873 122.102 121.223 0.009 0.000 3.014 201 L HA 0.337 4.677 4.340 -0.000 0.000 0.263 201 L C 1.396 178.210 176.870 -0.093 0.000 1.207 201 L CA -0.148 54.670 54.840 -0.036 0.000 1.017 201 L CB 0.470 42.493 42.059 -0.060 0.000 1.360 201 L HN 0.106 nan 8.230 nan 0.000 0.560 202 V N 0.318 120.198 119.914 -0.056 0.000 2.233 202 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 202 V C 2.274 178.309 176.094 -0.097 0.000 1.050 202 V CA 2.334 64.546 62.300 -0.148 0.000 1.010 202 V CB -0.515 31.298 31.823 -0.016 0.000 0.637 202 V HN 0.520 nan 8.190 nan 0.000 0.444 203 F N 2.047 121.977 119.950 -0.033 0.000 2.043 203 F HA -0.261 4.266 4.527 0.000 0.000 0.297 203 F C 2.295 178.098 175.800 0.005 0.000 1.121 203 F CA 1.751 59.775 58.000 0.040 0.000 1.199 203 F CB -1.191 37.802 39.000 -0.013 0.000 0.968 203 F HN 0.081 nan 8.300 nan 0.000 0.478 204 A N -0.114 122.437 122.820 -0.448 0.000 1.908 204 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 204 A C 2.399 179.819 177.584 -0.274 0.000 1.181 204 A CA 2.307 54.048 52.037 -0.494 0.000 0.627 204 A CB -1.412 17.392 19.000 -0.326 0.000 0.818 204 A HN 0.519 nan 8.150 nan 0.000 0.445 205 S N -0.598 114.949 115.700 -0.255 0.000 2.359 205 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 205 S C 1.604 176.092 174.600 -0.188 0.000 1.035 205 S CA 1.641 59.683 58.200 -0.264 0.000 1.018 205 S CB -0.542 62.425 63.200 -0.389 0.000 0.876 205 S HN 0.535 nan 8.310 nan 0.000 0.448 206 F N 1.813 121.751 119.950 -0.019 0.000 2.186 206 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 206 F C 2.576 178.366 175.800 -0.017 0.000 1.090 206 F CA 0.235 58.237 58.000 0.003 0.000 1.307 206 F CB -1.240 37.791 39.000 0.051 0.000 1.019 206 F HN 0.177 nan 8.300 nan 0.000 0.489 207 A N 0.112 122.998 122.820 0.110 0.000 1.972 207 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 207 A C 2.144 179.718 177.584 -0.017 0.000 1.169 207 A CA 1.972 54.020 52.037 0.018 0.000 0.635 207 A CB -1.236 17.675 19.000 -0.149 0.000 0.810 207 A HN 0.288 nan 8.150 nan 0.000 0.446 208 V N -4.659 115.226 119.914 -0.049 0.000 3.649 208 V HA 0.250 4.370 4.120 -0.000 0.000 0.275 208 V C 0.670 176.753 176.094 -0.019 0.000 1.281 208 V CA 0.382 62.656 62.300 -0.043 0.000 1.143 208 V CB -1.087 30.697 31.823 -0.066 0.000 0.892 208 V HN 0.528 nan 8.190 nan 0.000 0.441 209 R N -0.047 120.461 120.500 0.013 0.000 3.261 209 R HA -0.115 4.225 4.340 -0.000 0.000 0.257 209 R C -0.037 176.255 176.300 -0.014 0.000 1.014 209 R CA 0.486 56.602 56.100 0.027 0.000 0.681 209 R CB -2.192 28.119 30.300 0.019 0.000 1.155 209 R HN 0.556 nan 8.270 nan 0.000 0.424 210 L N 0.267 121.467 121.223 -0.039 0.000 2.461 210 L HA -0.010 4.330 4.340 -0.000 0.000 0.259 210 L C 1.817 178.625 176.870 -0.103 0.000 1.248 210 L CA 0.177 54.960 54.840 -0.095 0.000 0.823 210 L CB 0.220 42.204 42.059 -0.124 0.000 1.111 210 L HN 0.182 nan 8.230 nan 0.000 0.516 211 D N 0.149 120.400 120.400 -0.248 0.000 2.348 211 D HA 0.100 4.740 4.640 -0.000 0.000 0.216 211 D C 0.688 176.905 176.300 -0.137 0.000 0.970 211 D CA 0.877 54.711 54.000 -0.276 0.000 0.889 211 D CB 0.638 41.128 40.800 -0.517 0.000 0.912 211 D HN 0.698 nan 8.370 nan 0.000 0.524 212 G N -0.352 108.399 108.800 -0.081 0.000 2.345 212 G HA2 0.279 4.239 3.960 -0.000 0.000 0.285 212 G HA3 0.279 4.239 3.960 -0.000 0.000 0.285 212 G C -1.526 173.470 174.900 0.160 0.000 1.297 212 G CA -0.244 44.997 45.100 0.236 0.000 0.875 212 G HN 0.189 nan 8.290 nan 0.000 0.506 213 V N -2.599 117.391 119.914 0.128 0.000 2.823 213 V HA 0.878 4.998 4.120 -0.000 0.000 0.312 213 V C -0.490 175.580 176.094 -0.040 0.000 1.072 213 V CA -1.009 61.269 62.300 -0.037 0.000 0.937 213 V CB 1.817 33.496 31.823 -0.240 0.000 1.013 213 V HN 1.230 nan 8.190 nan 0.000 0.430 214 V N 3.455 123.298 119.914 -0.118 0.000 2.266 214 V HA 0.795 4.915 4.120 -0.000 0.000 0.266 214 V C 0.547 176.549 176.094 -0.154 0.000 1.036 214 V CA 0.229 62.398 62.300 -0.219 0.000 0.828 214 V CB 0.464 32.024 31.823 -0.438 0.000 1.081 214 V HN 1.321 nan 8.190 nan 0.000 0.449 215 A N 2.316 125.077 122.820 -0.098 0.000 2.317 215 A HA 0.673 4.993 4.320 -0.000 0.000 0.327 215 A C 1.293 178.858 177.584 -0.032 0.000 1.178 215 A CA 0.180 52.181 52.037 -0.061 0.000 0.817 215 A CB 1.485 20.450 19.000 -0.058 0.000 1.189 215 A HN 0.860 nan 8.150 nan 0.000 0.489 216 S N 1.357 117.082 115.700 0.041 0.000 2.400 216 S HA -0.190 4.280 4.470 -0.000 0.000 0.232 216 S C 1.708 176.277 174.600 -0.052 0.000 1.025 216 S CA 1.835 60.105 58.200 0.117 0.000 0.993 216 S CB -0.770 62.645 63.200 0.357 0.000 0.808 216 S HN 1.499 nan 8.310 nan 0.000 0.478 217 S N 1.891 117.465 115.700 -0.211 0.000 2.547 217 S HA 0.257 4.727 4.470 -0.000 0.000 0.235 217 S C 1.863 176.098 174.600 -0.610 0.000 0.980 217 S CA 0.513 58.197 58.200 -0.859 0.000 0.941 217 S CB -0.701 62.217 63.200 -0.471 0.000 0.763 217 S HN 0.792 nan 8.310 nan 0.000 0.532 218 A N 2.724 125.386 122.820 -0.263 0.000 2.076 218 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 218 A C 2.170 179.682 177.584 -0.121 0.000 1.160 218 A CA 1.328 53.273 52.037 -0.153 0.000 0.653 218 A CB -0.660 18.292 19.000 -0.080 0.000 0.801 218 A HN 0.618 nan 8.150 nan 0.000 0.455 219 N N -0.989 117.649 118.700 -0.104 0.000 2.142 219 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 219 N C 1.510 177.139 175.510 0.198 0.000 1.023 219 N CA 2.090 55.213 53.050 0.121 0.000 0.852 219 N CB -0.288 38.320 38.487 0.201 0.000 0.998 219 N HN 0.869 nan 8.380 nan 0.000 0.424 220 Y N -1.726 118.673 120.300 0.165 0.000 2.483 220 Y HA 0.492 5.042 4.550 -0.000 0.000 0.258 220 Y C 0.804 176.799 175.900 0.159 0.000 1.083 220 Y CA -0.209 58.010 58.100 0.199 0.000 1.283 220 Y CB 0.144 38.768 38.460 0.272 0.000 1.178 220 Y HN -0.206 nan 8.280 nan 0.000 0.515 221 L N 2.937 124.140 121.223 -0.034 0.000 2.861 221 L HA 0.351 4.691 4.340 -0.000 0.000 0.290 221 L C -1.928 174.895 176.870 -0.078 0.000 1.346 221 L CA -1.285 53.527 54.840 -0.047 0.000 0.779 221 L CB 1.426 43.429 42.059 -0.092 0.000 1.143 221 L HN -0.118 nan 8.230 nan 0.000 0.548 222 P HA -0.202 nan 4.420 nan 0.000 0.218 222 P C 1.196 178.481 177.300 -0.026 0.000 1.149 222 P CA 1.266 64.341 63.100 -0.043 0.000 0.817 222 P CB 0.253 31.931 31.700 -0.036 0.000 0.785 223 E N 0.351 120.538 120.200 -0.021 0.000 2.153 223 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 223 E C 2.008 178.590 176.600 -0.030 0.000 0.988 223 E CA 0.892 57.279 56.400 -0.022 0.000 0.811 223 E CB -1.242 28.450 29.700 -0.014 0.000 0.746 223 E HN 0.164 nan 8.360 nan 0.000 0.466 224 L N 1.214 122.412 121.223 -0.040 0.000 2.056 224 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 224 L C 2.459 179.326 176.870 -0.005 0.000 1.078 224 L CA 1.372 56.189 54.840 -0.039 0.000 0.749 224 L CB -0.556 41.466 42.059 -0.062 0.000 0.901 224 L HN 0.105 nan 8.230 nan 0.000 0.433 225 L N -0.600 120.630 121.223 0.012 0.000 2.046 225 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 225 L C 2.687 179.602 176.870 0.075 0.000 1.077 225 L CA 1.230 56.122 54.840 0.086 0.000 0.747 225 L CB -1.237 40.877 42.059 0.092 0.000 0.896 225 L HN 0.356 nan 8.230 nan 0.000 0.432 226 A N 0.676 123.501 122.820 0.008 0.000 1.933 226 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 226 A C 2.423 179.964 177.584 -0.070 0.000 1.175 226 A CA 1.748 53.757 52.037 -0.048 0.000 0.628 226 A CB -1.195 17.779 19.000 -0.043 0.000 0.814 226 A HN 0.452 nan 8.150 nan 0.000 0.444 227 G N 0.036 108.809 108.800 -0.045 0.000 2.418 227 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 227 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 227 G C 1.524 176.390 174.900 -0.056 0.000 1.158 227 G CA 1.094 46.163 45.100 -0.053 0.000 0.771 227 G HN 0.486 nan 8.290 nan 0.000 0.545 228 I N 0.025 120.585 120.570 -0.016 0.000 2.179 228 I HA -0.171 3.999 4.170 -0.000 0.000 0.242 228 I C 2.845 178.952 176.117 -0.016 0.000 1.088 228 I CA 1.305 62.621 61.300 0.027 0.000 1.357 228 I CB -0.282 37.816 38.000 0.164 0.000 1.051 228 I HN 0.117 nan 8.210 nan 0.000 0.409 229 R N 0.973 121.358 120.500 -0.191 0.000 2.091 229 R HA -0.221 4.119 4.340 -0.000 0.000 0.238 229 R C 1.903 178.014 176.300 -0.315 0.000 1.136 229 R CA 2.161 57.889 56.100 -0.620 0.000 0.959 229 R CB -0.193 29.544 30.300 -0.939 0.000 0.856 229 R HN 0.330 nan 8.270 nan 0.000 0.437 230 D N 0.031 120.314 120.400 -0.195 0.000 2.117 230 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 230 D C 1.726 177.971 176.300 -0.092 0.000 0.987 230 D CA 1.544 55.468 54.000 -0.128 0.000 0.829 230 D CB -0.307 40.437 40.800 -0.095 0.000 0.961 230 D HN 0.396 nan 8.370 nan 0.000 0.460 231 A N 0.613 123.384 122.820 -0.082 0.000 1.902 231 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 231 A C 2.534 180.095 177.584 -0.038 0.000 1.181 231 A CA 1.238 53.235 52.037 -0.066 0.000 0.623 231 A CB -0.729 18.218 19.000 -0.090 0.000 0.818 231 A HN 0.147 nan 8.150 nan 0.000 0.443 232 V N -0.125 119.784 119.914 -0.008 0.000 2.343 232 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 232 V C 3.008 179.108 176.094 0.011 0.000 1.051 232 V CA 1.854 64.188 62.300 0.057 0.000 1.036 232 V CB -1.207 30.712 31.823 0.161 0.000 0.654 232 V HN 0.602 nan 8.190 nan 0.000 0.451 233 A N -0.127 122.668 122.820 -0.041 0.000 2.019 233 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 233 A C 2.209 179.775 177.584 -0.030 0.000 1.164 233 A CA 1.711 53.721 52.037 -0.044 0.000 0.644 233 A CB -0.475 18.477 19.000 -0.080 0.000 0.805 233 A HN 0.585 nan 8.150 nan 0.000 0.449 234 A N -1.866 120.935 122.820 -0.032 0.000 2.251 234 A HA 0.421 4.741 4.320 -0.000 0.000 0.209 234 A C 1.795 179.369 177.584 -0.016 0.000 1.187 234 A CA 1.125 53.146 52.037 -0.027 0.000 0.823 234 A CB -0.849 18.130 19.000 -0.035 0.000 0.846 234 A HN 1.806 nan 8.150 nan 0.000 0.486 235 G N -0.196 108.601 108.800 -0.005 0.000 2.155 235 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 235 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 235 G C 0.159 175.058 174.900 -0.003 0.000 0.983 235 G CA 0.453 45.556 45.100 0.006 0.000 0.676 235 G HN 0.512 nan 8.290 nan 0.000 0.528 236 D N 0.989 121.377 120.400 -0.019 0.000 2.713 236 D HA 0.276 4.916 4.640 -0.000 0.000 0.229 236 D C 2.030 178.291 176.300 -0.065 0.000 1.136 236 D CA -0.716 53.260 54.000 -0.041 0.000 1.010 236 D CB -0.401 40.367 40.800 -0.053 0.000 1.084 236 D HN 0.177 nan 8.370 nan 0.000 0.495 237 I N 1.065 121.614 120.570 -0.035 0.000 2.286 237 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 237 I C 2.021 178.026 176.117 -0.186 0.000 1.115 237 I CA 0.969 62.244 61.300 -0.041 0.000 1.392 237 I CB -0.651 37.393 38.000 0.072 0.000 1.065 237 I HN 0.336 nan 8.210 nan 0.000 0.418 238 E N 0.641 120.762 120.200 -0.132 0.000 2.106 238 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 238 E C 2.221 178.687 176.600 -0.222 0.000 0.984 238 E CA 0.866 57.169 56.400 -0.161 0.000 0.806 238 E CB -0.423 29.227 29.700 -0.083 0.000 0.750 238 E HN 0.520 nan 8.360 nan 0.000 0.458 239 R N 1.223 121.612 120.500 -0.185 0.000 2.062 239 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 239 R C 2.395 178.523 176.300 -0.286 0.000 1.136 239 R CA 1.498 57.487 56.100 -0.186 0.000 0.948 239 R CB -0.316 29.909 30.300 -0.124 0.000 0.845 239 R HN 0.137 nan 8.270 nan 0.000 0.430 240 A N 1.153 123.761 122.820 -0.353 0.000 1.892 240 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 240 A C 2.261 179.333 177.584 -0.853 0.000 1.188 240 A CA 1.850 53.594 52.037 -0.489 0.000 0.631 240 A CB -0.690 18.044 19.000 -0.443 0.000 0.822 240 A HN 0.471 nan 8.150 nan 0.000 0.447 241 R N -0.043 119.751 120.500 -1.177 0.000 2.081 241 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 241 R C 2.550 178.310 176.300 -0.901 0.000 1.131 241 R CA 1.958 57.313 56.100 -1.242 0.000 0.960 241 R CB -0.289 29.431 30.300 -0.966 0.000 0.856 241 R HN 0.669 nan 8.270 nan 0.000 0.436 242 S N 0.075 115.459 115.700 -0.527 0.000 2.406 242 S HA -0.074 4.396 4.470 -0.000 0.000 0.228 242 S C 2.038 176.547 174.600 -0.151 0.000 1.020 242 S CA 0.785 58.828 58.200 -0.262 0.000 0.965 242 S CB -0.318 62.806 63.200 -0.127 0.000 0.798 242 S HN 0.353 nan 8.310 nan 0.000 0.488 243 L N 0.811 121.921 121.223 -0.189 0.000 2.046 243 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 243 L C 3.129 179.965 176.870 -0.057 0.000 1.077 243 L CA 1.770 56.547 54.840 -0.104 0.000 0.747 243 L CB -0.732 41.263 42.059 -0.107 0.000 0.896 243 L HN 0.398 nan 8.230 nan 0.000 0.432 244 Q N 0.084 119.809 119.800 -0.125 0.000 2.096 244 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 244 Q C 2.005 178.113 176.000 0.180 0.000 0.982 244 Q CA 2.020 57.830 55.803 0.012 0.000 0.850 244 Q CB -0.237 28.502 28.738 0.001 0.000 0.901 244 Q HN 0.313 nan 8.270 nan 0.000 0.422 245 F N -0.289 119.670 119.950 0.014 0.000 2.234 245 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 245 F C 1.923 177.739 175.800 0.026 0.000 1.087 245 F CA 0.657 58.673 58.000 0.027 0.000 1.340 245 F CB -1.121 37.886 39.000 0.013 0.000 1.031 245 F HN 0.226 nan 8.300 nan 0.000 0.500 246 L N -0.024 121.317 121.223 0.198 0.000 2.017 246 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 246 L C 2.239 179.174 176.870 0.109 0.000 1.073 246 L CA 1.444 56.351 54.840 0.112 0.000 0.745 246 L CB -1.140 40.948 42.059 0.049 0.000 0.894 246 L HN 0.117 nan 8.230 nan 0.000 0.432 247 L N -0.156 121.135 121.223 0.113 0.000 2.042 247 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 247 L C 2.058 179.035 176.870 0.177 0.000 1.076 247 L CA 1.983 56.906 54.840 0.139 0.000 0.749 247 L CB -1.118 41.016 42.059 0.124 0.000 0.893 247 L HN 0.350 nan 8.230 nan 0.000 0.432 248 D N -0.218 120.292 120.400 0.183 0.000 2.149 248 D HA -0.209 4.431 4.640 -0.000 0.000 0.198 248 D C 2.046 178.427 176.300 0.135 0.000 0.990 248 D CA 1.594 55.693 54.000 0.164 0.000 0.839 248 D CB -0.077 40.828 40.800 0.174 0.000 0.948 248 D HN 0.571 nan 8.370 nan 0.000 0.460 249 E N 0.193 120.465 120.200 0.119 0.000 2.077 249 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 249 E C 2.360 179.033 176.600 0.122 0.000 0.989 249 E CA 0.474 56.930 56.400 0.094 0.000 0.800 249 E CB -0.033 29.709 29.700 0.069 0.000 0.746 249 E HN 0.315 nan 8.360 nan 0.000 0.452 250 I N 0.610 121.270 120.570 0.151 0.000 2.202 250 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 250 I C 2.367 178.627 176.117 0.238 0.000 1.091 250 I CA 0.756 62.169 61.300 0.189 0.000 1.368 250 I CB -0.239 37.895 38.000 0.223 0.000 1.058 250 I HN -0.025 nan 8.210 nan 0.000 0.410 251 V N 0.704 120.783 119.914 0.275 0.000 2.332 251 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 251 V C 2.406 178.658 176.094 0.264 0.000 1.055 251 V CA 1.948 64.444 62.300 0.327 0.000 1.038 251 V CB -0.671 31.289 31.823 0.228 0.000 0.651 251 V HN 0.436 nan 8.190 nan 0.000 0.450 252 E N 0.101 120.418 120.200 0.195 0.000 2.070 252 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 252 E C 2.406 179.163 176.600 0.261 0.000 1.004 252 E CA 1.852 58.363 56.400 0.185 0.000 0.805 252 E CB -0.221 29.558 29.700 0.132 0.000 0.744 252 E HN 0.588 nan 8.360 nan 0.000 0.451 253 S N 0.585 116.444 115.700 0.264 0.000 2.368 253 S HA -0.154 4.316 4.470 -0.000 0.000 0.225 253 S C 2.120 177.005 174.600 0.475 0.000 1.030 253 S CA 0.934 59.361 58.200 0.379 0.000 0.999 253 S CB -0.213 63.089 63.200 0.171 0.000 0.844 253 S HN 0.393 nan 8.310 nan 0.000 0.459 254 A N 2.114 125.149 122.820 0.358 0.000 1.908 254 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 254 A C 2.163 179.993 177.584 0.411 0.000 1.181 254 A CA 1.375 53.618 52.037 0.343 0.000 0.627 254 A CB -0.508 18.672 19.000 0.299 0.000 0.818 254 A HN 0.409 nan 8.150 nan 0.000 0.445 255 R N -1.781 118.982 120.500 0.437 0.000 2.096 255 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 255 R C 2.205 178.638 176.300 0.221 0.000 1.127 255 R CA 1.564 57.855 56.100 0.319 0.000 0.968 255 R CB -0.552 29.866 30.300 0.197 0.000 0.861 255 R HN 0.817 nan 8.270 nan 0.000 0.440 256 H N 0.429 119.592 119.070 0.155 0.000 2.352 256 H HA -0.124 4.432 4.556 -0.000 0.000 0.299 256 H C 1.639 176.925 175.328 -0.071 0.000 1.097 256 H CA 1.764 57.835 56.048 0.038 0.000 1.311 256 H CB 0.057 29.852 29.762 0.056 0.000 1.377 256 H HN 0.081 nan 8.280 nan 0.000 0.504 257 I N -0.503 120.043 120.570 -0.040 0.000 3.427 257 I HA 0.228 4.398 4.170 -0.000 0.000 0.288 257 I C 0.410 176.494 176.117 -0.055 0.000 1.249 257 I CA 1.118 62.331 61.300 -0.145 0.000 1.421 257 I CB 0.603 38.622 38.000 0.032 0.000 1.086 257 I HN 0.504 nan 8.210 nan 0.000 0.448 258 G N -0.572 108.251 108.800 0.039 0.000 2.673 258 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.566 258 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.566 258 G C -0.055 174.932 174.900 0.144 0.000 1.170 258 G CA -0.114 45.031 45.100 0.075 0.000 1.242 258 G HN 0.114 nan 8.290 nan 0.000 0.568 259 Y N 1.958 122.315 120.300 0.096 0.000 2.145 259 Y HA 0.075 4.625 4.550 0.000 0.000 0.286 259 Y C 2.754 178.752 175.900 0.164 0.000 1.145 259 Y CA 3.193 61.374 58.100 0.134 0.000 1.148 259 Y CB -0.075 38.474 38.460 0.148 0.000 0.981 259 Y HN 0.842 nan 8.280 nan 0.000 0.507 260 A N 0.177 123.127 122.820 0.216 0.000 1.908 260 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 260 A C 2.370 180.070 177.584 0.192 0.000 1.181 260 A CA 2.041 54.195 52.037 0.196 0.000 0.627 260 A CB -1.408 17.725 19.000 0.222 0.000 0.818 260 A HN 0.578 nan 8.150 nan 0.000 0.445 261 A N -0.507 122.392 122.820 0.131 0.000 1.930 261 A HA 0.334 4.654 4.320 -0.000 0.000 0.215 261 A C 2.444 180.103 177.584 0.125 0.000 1.176 261 A CA 1.532 53.638 52.037 0.115 0.000 0.632 261 A CB -0.866 18.150 19.000 0.026 0.000 0.819 261 A HN 1.013 nan 8.150 nan 0.000 0.445 262 A N -0.218 122.610 122.820 0.014 0.000 1.978 262 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 262 A C 2.154 179.654 177.584 -0.140 0.000 1.170 262 A CA 1.746 53.748 52.037 -0.060 0.000 0.636 262 A CB -0.939 18.013 19.000 -0.081 0.000 0.810 262 A HN 0.384 nan 8.150 nan 0.000 0.448 263 V N -1.310 118.479 119.914 -0.208 0.000 2.324 263 V HA -0.352 3.768 4.120 -0.000 0.000 0.250 263 V C 2.336 178.388 176.094 -0.070 0.000 1.060 263 V CA 2.253 64.442 62.300 -0.184 0.000 1.042 263 V CB -1.137 30.604 31.823 -0.137 0.000 0.650 263 V HN 0.716 nan 8.190 nan 0.000 0.450 264 Y N 0.314 120.572 120.300 -0.069 0.000 2.200 264 Y HA -0.229 4.321 4.550 -0.000 0.000 0.290 264 Y C 2.621 178.467 175.900 -0.091 0.000 1.137 264 Y CA 1.774 59.842 58.100 -0.053 0.000 1.163 264 Y CB -0.267 38.181 38.460 -0.020 0.000 0.988 264 Y HN 0.284 nan 8.280 nan 0.000 0.518 265 E N 0.701 120.938 120.200 0.061 0.000 2.106 265 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 265 E C 1.804 178.295 176.600 -0.182 0.000 0.984 265 E CA 1.124 57.492 56.400 -0.053 0.000 0.806 265 E CB -0.441 29.229 29.700 -0.051 0.000 0.750 265 E HN 0.466 nan 8.360 nan 0.000 0.458 266 L N -0.425 120.653 121.223 -0.242 0.000 2.093 266 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 266 L C 2.386 179.149 176.870 -0.179 0.000 1.085 266 L CA 0.657 55.255 54.840 -0.403 0.000 0.755 266 L CB -0.422 41.253 42.059 -0.640 0.000 0.904 266 L HN 0.090 nan 8.230 nan 0.000 0.435 267 V N 0.142 120.033 119.914 -0.038 0.000 2.287 267 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 267 V C 2.429 178.409 176.094 -0.190 0.000 1.053 267 V CA 1.940 64.234 62.300 -0.010 0.000 1.027 267 V CB -0.504 31.267 31.823 -0.086 0.000 0.646 267 V HN 0.488 nan 8.190 nan 0.000 0.447 268 E N -0.263 119.821 120.200 -0.194 0.000 2.072 268 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 268 E C 2.202 178.672 176.600 -0.218 0.000 0.985 268 E CA 1.446 57.721 56.400 -0.210 0.000 0.801 268 E CB -0.202 29.430 29.700 -0.113 0.000 0.750 268 E HN 0.558 nan 8.360 nan 0.000 0.452 269 I N 0.164 120.558 120.570 -0.294 0.000 2.252 269 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 269 I C 1.784 177.718 176.117 -0.305 0.000 1.102 269 I CA 1.130 62.196 61.300 -0.389 0.000 1.385 269 I CB -0.038 37.548 38.000 -0.691 0.000 1.064 269 I HN 0.026 nan 8.210 nan 0.000 0.414 270 F N -0.367 119.550 119.950 -0.056 0.000 2.530 270 F HA 0.043 4.570 4.527 -0.000 0.000 0.292 270 F C 2.308 178.083 175.800 -0.043 0.000 1.109 270 F CA 0.472 58.462 58.000 -0.017 0.000 1.450 270 F CB -0.308 38.727 39.000 0.059 0.000 1.114 270 F HN 0.009 nan 8.300 nan 0.000 0.560 271 Q N -0.396 119.412 119.800 0.013 0.000 2.350 271 Q HA 0.291 4.631 4.340 -0.000 0.000 0.225 271 Q C 1.472 177.347 176.000 -0.209 0.000 0.878 271 Q CA 0.794 56.526 55.803 -0.119 0.000 0.935 271 Q CB 0.406 28.968 28.738 -0.292 0.000 1.099 271 Q HN 0.383 nan 8.270 nan 0.000 0.527 272 G N 1.841 110.508 108.800 -0.220 0.000 2.225 272 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 272 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 272 G C -0.381 174.523 174.900 0.007 0.000 1.060 272 G CA 0.827 45.879 45.100 -0.081 0.000 0.833 272 G HN 0.341 nan 8.290 nan 0.000 0.498 273 Y N -3.335 116.995 120.300 0.049 0.000 2.705 273 Y HA 0.763 5.313 4.550 -0.000 0.000 0.332 273 Y C -0.151 175.773 175.900 0.040 0.000 1.221 273 Y CA -2.045 56.081 58.100 0.044 0.000 1.059 273 Y CB 0.592 39.084 38.460 0.054 0.000 1.298 273 Y HN 0.141 nan 8.280 nan 0.000 0.459 274 E N 0.368 120.751 120.200 0.305 0.000 2.373 274 E HA 0.490 4.840 4.350 -0.000 0.000 0.267 274 E C -0.233 176.531 176.600 0.274 0.000 1.032 274 E CA 0.209 56.732 56.400 0.205 0.000 0.889 274 E CB 1.316 31.104 29.700 0.146 0.000 0.984 274 E HN 0.776 nan 8.360 nan 0.000 0.425 275 A N 3.017 125.942 122.820 0.175 0.000 2.469 275 A HA 0.415 4.735 4.320 -0.000 0.000 0.245 275 A C 0.915 178.642 177.584 0.239 0.000 1.221 275 A CA 0.470 52.601 52.037 0.157 0.000 0.946 275 A CB 0.001 19.030 19.000 0.048 0.000 1.049 275 A HN 0.850 nan 8.150 nan 0.000 0.529 276 G N -0.087 108.837 108.800 0.206 0.000 2.569 276 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.259 276 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.259 276 G C -0.353 174.654 174.900 0.180 0.000 1.263 276 G CA 0.261 45.479 45.100 0.197 0.000 0.928 276 G HN 0.609 nan 8.290 nan 0.000 0.572 277 E N 0.715 120.954 120.200 0.067 0.000 2.393 277 E HA 0.541 4.891 4.350 -0.000 0.000 0.273 277 E C -2.375 173.988 176.600 -0.395 0.000 0.918 277 E CA -1.631 54.590 56.400 -0.298 0.000 0.773 277 E CB 3.188 32.823 29.700 -0.107 0.000 1.275 277 E HN 0.431 nan 8.360 nan 0.000 0.451 278 P HA 0.223 nan 4.420 nan 0.000 0.312 278 P C -0.989 176.133 177.300 -0.298 0.000 1.308 278 P CA -0.441 62.495 63.100 -0.273 0.000 0.743 278 P CB 0.952 32.467 31.700 -0.309 0.000 1.364 279 R N -1.227 119.013 120.500 -0.434 0.000 2.673 279 R HA 0.569 4.909 4.340 -0.000 0.000 0.281 279 R C -0.209 175.781 176.300 -0.518 0.000 0.991 279 R CA -0.731 55.024 56.100 -0.575 0.000 0.896 279 R CB 1.285 30.976 30.300 -1.015 0.000 1.201 279 R HN 0.613 nan 8.270 nan 0.000 0.457 280 G N 3.335 111.770 108.800 -0.608 0.000 2.340 280 G HA2 0.175 4.135 3.960 -0.000 0.000 0.245 280 G HA3 0.175 4.135 3.960 -0.000 0.000 0.245 280 G C -1.724 172.767 174.900 -0.682 0.000 1.294 280 G CA -0.895 43.520 45.100 -1.141 0.000 0.896 280 G HN 0.589 nan 8.290 nan 0.000 0.522 281 P HA 0.061 nan 4.420 nan 0.000 0.267 281 P C 0.499 177.412 177.300 -0.646 0.000 1.289 281 P CA -0.079 62.582 63.100 -0.731 0.000 0.866 281 P CB 0.608 32.169 31.700 -0.231 0.000 1.309 282 V N 1.593 121.220 119.914 -0.478 0.000 2.008 282 V HA 0.069 4.189 4.120 -0.000 0.000 0.262 282 V C 0.283 176.207 176.094 -0.284 0.000 1.580 282 V CA -0.621 61.527 62.300 -0.254 0.000 1.515 282 V CB -2.377 29.382 31.823 -0.106 0.000 1.474 282 V HN 0.011 nan 8.190 nan 0.000 0.504 283 Y N 2.372 122.622 120.300 -0.083 0.000 2.578 283 Y HA 0.169 4.719 4.550 -0.000 0.000 0.339 283 Y C -1.415 174.419 175.900 -0.111 0.000 1.231 283 Y CA -1.832 56.207 58.100 -0.102 0.000 1.461 283 Y CB -0.246 38.166 38.460 -0.080 0.000 1.323 283 Y HN 0.341 nan 8.280 nan 0.000 0.590 284 P HA -0.002 nan 4.420 nan 0.000 0.268 284 P C -0.442 176.854 177.300 -0.006 0.000 1.208 284 P CA -0.158 62.906 63.100 -0.061 0.000 0.777 284 P CB 0.498 32.155 31.700 -0.072 0.000 0.875 285 L N 2.215 123.428 121.223 -0.016 0.000 2.506 285 L HA 0.041 4.381 4.340 -0.000 0.000 0.281 285 L C 1.163 178.032 176.870 -0.003 0.000 1.228 285 L CA 0.045 54.886 54.840 0.002 0.000 0.850 285 L CB -0.171 41.896 42.059 0.013 0.000 1.110 285 L HN 0.513 nan 8.230 nan 0.000 0.496 286 D N 2.323 122.721 120.400 -0.004 0.000 2.423 286 D HA 0.216 4.856 4.640 -0.000 0.000 0.255 286 D C -2.062 174.241 176.300 0.006 0.000 1.174 286 D CA -2.027 51.968 54.000 -0.008 0.000 1.008 286 D CB 0.230 41.017 40.800 -0.022 0.000 1.101 286 D HN 0.116 nan 8.370 nan 0.000 0.516 287 P HA -0.172 nan 4.420 nan 0.000 0.216 287 P C 1.196 178.516 177.300 0.033 0.000 1.153 287 P CA 1.656 64.764 63.100 0.014 0.000 0.858 287 P CB 0.101 31.806 31.700 0.008 0.000 0.789 288 E N 0.119 120.339 120.200 0.033 0.000 2.072 288 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 288 E C 1.808 178.471 176.600 0.105 0.000 0.985 288 E CA 1.092 57.527 56.400 0.059 0.000 0.801 288 E CB -0.269 29.452 29.700 0.035 0.000 0.750 288 E HN 0.247 nan 8.360 nan 0.000 0.452 289 E N 0.493 120.737 120.200 0.073 0.000 2.077 289 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 289 E C 2.137 178.841 176.600 0.173 0.000 0.989 289 E CA 1.260 57.724 56.400 0.107 0.000 0.800 289 E CB 0.036 29.756 29.700 0.034 0.000 0.746 289 E HN 0.193 nan 8.360 nan 0.000 0.452 290 K N 0.504 120.963 120.400 0.098 0.000 2.057 290 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 290 K C 2.219 178.863 176.600 0.073 0.000 1.049 290 K CA 1.116 57.445 56.287 0.070 0.000 0.931 290 K CB -0.154 32.361 32.500 0.025 0.000 0.714 290 K HN 0.055 nan 8.250 nan 0.000 0.440 291 A N 0.752 123.621 122.820 0.082 0.000 1.902 291 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 291 A C 1.944 179.579 177.584 0.085 0.000 1.181 291 A CA 1.357 53.430 52.037 0.060 0.000 0.623 291 A CB -0.922 18.115 19.000 0.061 0.000 0.818 291 A HN 0.601 nan 8.150 nan 0.000 0.443 292 W N 0.244 121.543 121.300 -0.002 0.000 2.335 292 W HA -0.175 4.485 4.660 -0.000 0.000 0.311 292 W C 1.772 178.295 176.519 0.007 0.000 1.213 292 W CA 1.891 59.243 57.345 0.011 0.000 1.274 292 W CB -0.317 29.166 29.460 0.038 0.000 1.148 292 W HN 0.295 nan 8.180 nan 0.000 0.498 293 L N 1.516 122.892 121.223 0.256 0.000 2.046 293 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 293 L C 2.538 179.311 176.870 -0.162 0.000 1.077 293 L CA 2.018 56.894 54.840 0.059 0.000 0.747 293 L CB -1.050 41.106 42.059 0.162 0.000 0.896 293 L HN -0.043 nan 8.230 nan 0.000 0.432 294 R N -0.584 119.843 120.500 -0.122 0.000 2.083 294 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 294 R C 2.215 178.405 176.300 -0.183 0.000 1.137 294 R CA 1.501 57.509 56.100 -0.154 0.000 0.951 294 R CB -0.781 29.451 30.300 -0.112 0.000 0.851 294 R HN 0.536 nan 8.270 nan 0.000 0.434 295 A N 1.087 123.773 122.820 -0.223 0.000 1.933 295 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 295 A C 2.348 179.736 177.584 -0.327 0.000 1.175 295 A CA 1.635 53.523 52.037 -0.248 0.000 0.628 295 A CB -0.514 18.331 19.000 -0.258 0.000 0.814 295 A HN 0.418 nan 8.150 nan 0.000 0.444 296 A N -0.176 122.329 122.820 -0.525 0.000 1.930 296 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 296 A C 2.188 179.618 177.584 -0.256 0.000 1.175 296 A CA 1.962 53.667 52.037 -0.553 0.000 0.627 296 A CB -0.930 17.458 19.000 -1.020 0.000 0.815 296 A HN 1.147 nan 8.150 nan 0.000 0.443 297 V N -3.393 116.421 119.914 -0.168 0.000 3.235 297 V HA 0.317 4.437 4.120 -0.000 0.000 0.259 297 V C 2.289 178.399 176.094 0.027 0.000 1.133 297 V CA 0.977 63.270 62.300 -0.012 0.000 1.128 297 V CB -0.951 30.924 31.823 0.088 0.000 0.757 297 V HN 0.454 nan 8.190 nan 0.000 0.469 298 A N 1.323 124.121 122.820 -0.036 0.000 1.892 298 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 298 A C 2.202 179.793 177.584 0.013 0.000 1.188 298 A CA 2.657 54.691 52.037 -0.006 0.000 0.631 298 A CB -0.689 18.285 19.000 -0.044 0.000 0.822 298 A HN 0.560 nan 8.150 nan 0.000 0.447 299 K N 0.086 120.479 120.400 -0.012 0.000 1.969 299 K HA -0.060 4.260 4.320 -0.000 0.000 0.216 299 K C 2.121 178.732 176.600 0.019 0.000 1.048 299 K CA 2.073 58.359 56.287 -0.002 0.000 0.948 299 K CB -1.045 31.445 32.500 -0.018 0.000 0.726 299 K HN 0.345 nan 8.250 nan 0.000 0.442 300 A N 2.073 124.909 122.820 0.026 0.000 1.903 300 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 300 A C 2.118 179.725 177.584 0.038 0.000 1.191 300 A CA 2.733 54.793 52.037 0.038 0.000 0.638 300 A CB -0.940 18.092 19.000 0.054 0.000 0.823 300 A HN 0.546 nan 8.150 nan 0.000 0.451 301 K N 0.684 121.129 120.400 0.075 0.000 2.074 301 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 301 K C 2.108 178.735 176.600 0.045 0.000 1.048 301 K CA 2.566 58.901 56.287 0.080 0.000 0.926 301 K CB -0.672 31.997 32.500 0.281 0.000 0.713 301 K HN 0.589 nan 8.250 nan 0.000 0.444 302 S N 0.327 116.054 115.700 0.045 0.000 2.399 302 S HA -0.156 4.314 4.470 -0.000 0.000 0.231 302 S C 1.883 176.491 174.600 0.014 0.000 1.022 302 S CA 0.995 59.211 58.200 0.027 0.000 0.983 302 S CB -0.231 62.981 63.200 0.021 0.000 0.803 302 S HN 0.510 nan 8.310 nan 0.000 0.480 303 Q N 0.284 120.091 119.800 0.012 0.000 2.482 303 Q HA 0.324 4.664 4.340 -0.000 0.000 0.209 303 Q C 0.113 176.112 176.000 -0.002 0.000 0.961 303 Q CA 0.024 55.832 55.803 0.007 0.000 0.945 303 Q CB -0.104 28.642 28.738 0.014 0.000 1.012 303 Q HN 0.562 nan 8.270 nan 0.000 0.515 304 L N 2.439 123.657 121.223 -0.009 0.000 2.319 304 L HA 0.205 4.545 4.340 -0.000 0.000 0.280 304 L C -0.210 176.648 176.870 -0.019 0.000 1.099 304 L CA -0.042 54.782 54.840 -0.025 0.000 0.828 304 L CB 0.380 42.410 42.059 -0.048 0.000 1.150 304 L HN 0.159 nan 8.230 nan 0.000 0.442 305 R N 5.284 125.770 120.500 -0.024 0.000 2.576 305 R HA 0.456 4.796 4.340 -0.000 0.000 0.283 305 R C -1.391 174.893 176.300 -0.026 0.000 1.493 305 R CA -0.750 55.338 56.100 -0.020 0.000 1.170 305 R CB 0.524 30.814 30.300 -0.016 0.000 1.189 305 R HN 0.482 nan 8.270 nan 0.000 0.542 306 L N 0.000 121.208 121.223 -0.026 0.000 2.949 306 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 306 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 306 L CB 0.000 42.041 42.059 -0.031 0.000 0.961 306 L HN 0.000 nan 8.230 nan 0.000 0.502