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 1yaj_1_B DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.657 174.600 0.095 0.000 1.055 21 S CA 0.000 58.238 58.200 0.063 0.000 1.107 21 S CB 0.000 63.243 63.200 0.072 0.000 0.593 22 S N 2.309 118.092 115.700 0.139 0.000 2.596 22 S HA 0.692 5.167 4.470 0.008 0.000 0.318 22 S C -2.742 171.949 174.600 0.153 0.000 1.097 22 S CA -0.871 57.400 58.200 0.119 0.000 1.080 22 S CB 1.022 64.278 63.200 0.093 0.000 0.991 22 S HN 0.646 nan 8.310 nan 0.000 0.471 23 P HA 0.088 nan 4.420 nan 0.000 0.266 23 P C -2.604 174.609 177.300 -0.145 0.000 1.180 23 P CA -0.542 62.505 63.100 -0.089 0.000 0.765 23 P CB -0.217 31.429 31.700 -0.090 0.000 0.806 24 P HA 0.143 nan 4.420 nan 0.000 0.280 24 P C -1.016 176.261 177.300 -0.038 0.000 1.244 24 P CA 0.132 63.027 63.100 -0.341 0.000 0.784 24 P CB 0.711 32.041 31.700 -0.618 0.000 0.913 25 V N 4.621 124.574 119.914 0.066 0.000 2.340 25 V HA 0.198 4.323 4.120 0.008 0.000 0.277 25 V C 0.040 176.175 176.094 0.067 0.000 1.017 25 V CA -0.645 61.723 62.300 0.113 0.000 0.820 25 V CB 1.572 33.442 31.823 0.079 0.000 1.028 25 V HN 0.211 nan 8.190 nan 0.000 0.436 26 V N 3.056 122.989 119.914 0.031 0.000 2.509 26 V HA 0.330 4.455 4.120 0.008 0.000 0.284 26 V C 0.213 176.197 176.094 -0.184 0.000 1.047 26 V CA -0.301 61.847 62.300 -0.254 0.000 0.952 26 V CB 1.815 33.091 31.823 -0.911 0.000 0.988 26 V HN 0.793 nan 8.190 nan 0.000 0.469 27 D N 3.179 123.476 120.400 -0.171 0.000 2.295 27 D HA 0.352 4.996 4.640 0.008 0.000 0.248 27 D C 0.100 176.322 176.300 -0.130 0.000 1.154 27 D CA 0.077 54.019 54.000 -0.096 0.000 0.857 27 D CB 1.633 42.384 40.800 -0.082 0.000 1.117 27 D HN 0.780 nan 8.370 nan 0.000 0.468 28 T N -0.605 113.914 114.554 -0.058 0.000 2.927 28 T HA 0.270 4.624 4.350 0.008 0.000 0.286 28 T C 1.516 176.117 174.700 -0.164 0.000 1.040 28 T CA -0.721 61.337 62.100 -0.071 0.000 1.010 28 T CB 1.119 70.062 68.868 0.127 0.000 1.177 28 T HN 0.036 nan 8.240 nan 0.000 0.546 29 V N 1.210 120.975 119.914 -0.248 0.000 2.282 29 V HA -0.175 3.950 4.120 0.008 0.000 0.249 29 V C 2.487 178.297 176.094 -0.475 0.000 1.057 29 V CA 1.903 63.977 62.300 -0.376 0.000 1.032 29 V CB -1.041 30.483 31.823 -0.499 0.000 0.645 29 V HN 0.878 nan 8.190 nan 0.000 0.447 30 H N -0.460 118.426 119.070 -0.306 0.000 2.548 30 H HA 0.402 4.964 4.556 0.010 0.000 0.268 30 H C 0.954 175.583 175.328 -1.165 0.000 0.975 30 H CA 1.006 56.691 56.048 -0.605 0.000 1.195 30 H CB 0.452 29.879 29.762 -0.558 0.000 1.397 30 H HN 0.550 nan 8.280 nan 0.000 0.572 31 G N 0.195 108.541 108.800 -0.757 0.000 2.356 31 G HA2 0.025 3.990 3.960 0.008 0.000 0.300 31 G HA3 0.025 3.990 3.960 0.008 0.000 0.300 31 G C -1.434 173.526 174.900 0.100 0.000 1.331 31 G CA -1.121 43.577 45.100 -0.670 0.000 0.905 31 G HN 0.008 nan 8.290 nan 0.000 0.587 32 K N 0.295 120.916 120.400 0.368 0.000 2.312 32 K HA 0.524 4.849 4.320 0.008 0.000 0.287 32 K C 0.017 176.922 176.600 0.507 0.000 1.062 32 K CA -0.449 56.051 56.287 0.355 0.000 0.934 32 K CB 1.813 34.445 32.500 0.219 0.000 1.027 32 K HN 0.322 nan 8.250 nan 0.000 0.478 33 V N 3.999 124.146 119.914 0.389 0.000 2.716 33 V HA 0.337 4.462 4.120 0.008 0.000 0.304 33 V C -0.232 176.079 176.094 0.363 0.000 1.053 33 V CA -0.974 61.550 62.300 0.374 0.000 0.984 33 V CB 1.662 33.729 31.823 0.406 0.000 1.021 33 V HN 0.578 nan 8.190 nan 0.000 0.467 34 L N 2.846 124.261 121.223 0.320 0.000 2.381 34 L HA 0.829 5.174 4.340 0.008 0.000 0.274 34 L C 0.106 177.012 176.870 0.059 0.000 0.988 34 L CA 0.274 55.235 54.840 0.201 0.000 0.824 34 L CB 1.138 43.237 42.059 0.066 0.000 1.263 34 L HN 0.788 nan 8.230 nan 0.000 0.410 35 G N 4.417 113.010 108.800 -0.345 0.000 3.119 35 G HA2 0.648 4.613 3.960 0.008 0.000 0.206 35 G HA3 0.648 4.613 3.960 0.008 0.000 0.206 35 G C -1.276 173.269 174.900 -0.592 0.000 1.313 35 G CA -0.548 44.070 45.100 -0.803 0.000 1.010 35 G HN 0.671 nan 8.290 nan 0.000 0.578 36 K N -0.971 119.063 120.400 -0.611 0.000 2.464 36 K HA 0.569 4.893 4.320 0.008 0.000 0.253 36 K C -1.646 174.736 176.600 -0.363 0.000 0.933 36 K CA -0.776 55.273 56.287 -0.396 0.000 0.801 36 K CB 2.111 34.473 32.500 -0.231 0.000 1.271 36 K HN 0.273 nan 8.250 nan 0.000 0.430 37 F N 1.684 121.554 119.950 -0.133 0.000 2.412 37 F HA 0.300 4.832 4.527 0.009 0.000 0.348 37 F C -0.138 175.631 175.800 -0.053 0.000 1.102 37 F CA -0.562 57.388 58.000 -0.084 0.000 1.196 37 F CB 1.593 40.563 39.000 -0.049 0.000 1.144 37 F HN 0.131 nan 8.300 nan 0.000 0.541 38 V N 3.314 123.350 119.914 0.204 0.000 2.447 38 V HA 0.206 4.330 4.120 0.008 0.000 0.292 38 V C -0.550 175.601 176.094 0.094 0.000 1.021 38 V CA -0.793 61.576 62.300 0.116 0.000 0.850 38 V CB 1.588 33.465 31.823 0.089 0.000 1.005 38 V HN 0.720 nan 8.190 nan 0.000 0.426 39 S N 5.178 120.921 115.700 0.071 0.000 2.513 39 S HA 0.638 5.112 4.470 0.008 0.000 0.276 39 S C -0.354 174.280 174.600 0.056 0.000 1.254 39 S CA -0.296 57.935 58.200 0.051 0.000 1.053 39 S CB 1.317 64.542 63.200 0.042 0.000 0.958 39 S HN 0.556 nan 8.310 nan 0.000 0.491 40 L N 2.679 123.930 121.223 0.047 0.000 2.334 40 L HA 0.537 4.882 4.340 0.008 0.000 0.275 40 L C 0.012 177.007 176.870 0.208 0.000 1.036 40 L CA -0.695 54.187 54.840 0.070 0.000 0.807 40 L CB 1.258 43.249 42.059 -0.113 0.000 1.231 40 L HN 0.625 nan 8.230 nan 0.000 0.438 41 E N 3.019 123.343 120.200 0.208 0.000 2.498 41 E HA 0.387 4.741 4.350 0.008 0.000 0.252 41 E C 0.795 177.557 176.600 0.269 0.000 1.025 41 E CA 1.162 57.689 56.400 0.211 0.000 0.938 41 E CB -0.165 29.652 29.700 0.195 0.000 0.947 41 E HN 0.873 nan 8.360 nan 0.000 0.478 42 G N 3.180 112.060 108.800 0.134 0.000 2.159 42 G HA2 -0.222 3.743 3.960 0.008 0.000 0.227 42 G HA3 -0.222 3.743 3.960 0.008 0.000 0.227 42 G C -0.308 174.350 174.900 -0.402 0.000 0.986 42 G CA -0.057 44.988 45.100 -0.091 0.000 0.651 42 G HN 0.375 nan 8.290 nan 0.000 0.523 43 F N -0.859 119.078 119.950 -0.022 0.000 2.620 43 F HA 0.822 5.354 4.527 0.008 0.000 0.320 43 F C 1.039 176.825 175.800 -0.024 0.000 1.069 43 F CA -0.189 57.791 58.000 -0.035 0.000 0.953 43 F CB 1.451 40.408 39.000 -0.071 0.000 1.322 43 F HN 0.099 nan 8.300 nan 0.000 0.479 44 A N 0.196 123.115 122.820 0.165 0.000 2.070 44 A HA 0.126 4.450 4.320 0.008 0.000 0.221 44 A C 0.489 178.107 177.584 0.057 0.000 1.603 44 A CA 0.302 52.385 52.037 0.075 0.000 0.639 44 A CB -0.742 18.284 19.000 0.043 0.000 1.235 44 A HN 0.649 nan 8.150 nan 0.000 0.518 45 Q N 2.207 122.039 119.800 0.052 0.000 2.242 45 Q HA 0.206 4.550 4.340 0.008 0.000 0.284 45 Q C -2.183 173.823 176.000 0.011 0.000 1.130 45 Q CA -1.676 54.130 55.803 0.006 0.000 0.940 45 Q CB 0.040 28.796 28.738 0.030 0.000 1.146 45 Q HN 0.416 nan 8.270 nan 0.000 0.388 46 P HA -0.007 nan 4.420 nan 0.000 0.271 46 P C -0.886 176.476 177.300 0.104 0.000 1.244 46 P CA -0.280 62.824 63.100 0.007 0.000 0.793 46 P CB 0.606 32.277 31.700 -0.048 0.000 0.984 47 V N 0.139 120.136 119.914 0.137 0.000 2.427 47 V HA 0.456 4.581 4.120 0.008 0.000 0.286 47 V C 0.655 176.889 176.094 0.234 0.000 1.034 47 V CA -0.856 61.544 62.300 0.168 0.000 0.893 47 V CB 0.857 32.737 31.823 0.095 0.000 0.982 47 V HN 0.732 nan 8.190 nan 0.000 0.452 48 A N 6.418 129.368 122.820 0.217 0.000 2.347 48 A HA 0.683 5.007 4.320 0.008 0.000 0.287 48 A C -0.299 177.208 177.584 -0.128 0.000 1.199 48 A CA -0.208 51.791 52.037 -0.065 0.000 0.851 48 A CB -0.200 18.786 19.000 -0.022 0.000 1.118 48 A HN 0.778 nan 8.150 nan 0.000 0.525 49 I N 2.621 122.973 120.570 -0.363 0.000 2.354 49 I HA 0.360 4.535 4.170 0.008 0.000 0.292 49 I C -1.159 174.614 176.117 -0.573 0.000 0.989 49 I CA -0.229 60.829 61.300 -0.403 0.000 1.188 49 I CB 1.315 39.128 38.000 -0.311 0.000 1.342 49 I HN 0.542 nan 8.210 nan 0.000 0.457 50 F N 6.793 126.566 119.950 -0.296 0.000 2.427 50 F HA 0.505 5.036 4.527 0.008 0.000 0.348 50 F C -0.310 175.341 175.800 -0.247 0.000 1.125 50 F CA -0.570 57.319 58.000 -0.184 0.000 0.989 50 F CB 1.252 40.243 39.000 -0.015 0.000 1.165 50 F HN 0.116 nan 8.300 nan 0.000 0.442 51 L N 3.043 124.209 121.223 -0.096 0.000 2.305 51 L HA 0.707 5.052 4.340 0.008 0.000 0.284 51 L C 0.644 177.434 176.870 -0.134 0.000 1.013 51 L CA -0.805 53.947 54.840 -0.147 0.000 0.819 51 L CB 1.547 43.394 42.059 -0.353 0.000 1.227 51 L HN 0.905 nan 8.230 nan 0.000 0.417 52 G N 3.310 112.049 108.800 -0.102 0.000 2.141 52 G HA2 -0.205 3.760 3.960 0.008 0.000 0.195 52 G HA3 -0.205 3.760 3.960 0.008 0.000 0.195 52 G C -0.108 174.783 174.900 -0.015 0.000 1.012 52 G CA -0.643 44.325 45.100 -0.219 0.000 0.696 52 G HN 0.511 nan 8.290 nan 0.000 0.508 53 I N 2.942 123.557 120.570 0.076 0.000 2.436 53 I HA 0.203 4.378 4.170 0.008 0.000 0.289 53 I C -1.289 174.936 176.117 0.179 0.000 1.083 53 I CA -1.879 59.486 61.300 0.108 0.000 1.372 53 I CB 0.894 38.907 38.000 0.023 0.000 1.408 53 I HN -0.010 nan 8.210 nan 0.000 0.516 54 P HA -0.012 nan 4.420 nan 0.000 0.271 54 P C -0.285 176.971 177.300 -0.073 0.000 1.216 54 P CA 0.119 63.201 63.100 -0.030 0.000 0.771 54 P CB 0.519 32.191 31.700 -0.047 0.000 0.864 55 F N 0.640 120.425 119.950 -0.275 0.000 2.724 55 F HA 0.772 5.306 4.527 0.013 0.000 0.310 55 F C -0.245 175.527 175.800 -0.047 0.000 1.107 55 F CA -0.950 56.905 58.000 -0.242 0.000 1.218 55 F CB 0.211 38.953 39.000 -0.429 0.000 1.042 55 F HN 0.441 nan 8.300 nan 0.000 0.540 56 A N 0.872 123.420 122.820 -0.453 0.000 2.583 56 A HA 0.393 4.717 4.320 0.008 0.000 0.298 56 A C -1.101 176.275 177.584 -0.345 0.000 1.055 56 A CA -1.124 50.712 52.037 -0.336 0.000 0.714 56 A CB 0.545 19.289 19.000 -0.426 0.000 1.277 56 A HN 0.281 nan 8.150 nan 0.000 0.406 57 K N 1.951 122.228 120.400 -0.204 0.000 2.491 57 K HA 0.226 4.551 4.320 0.008 0.000 0.279 57 K C -2.262 174.211 176.600 -0.211 0.000 1.026 57 K CA -0.720 55.464 56.287 -0.172 0.000 1.070 57 K CB 0.021 32.460 32.500 -0.103 0.000 0.887 57 K HN 0.350 nan 8.250 nan 0.000 0.481 58 P HA -0.083 nan 4.420 nan 0.000 0.255 58 P C -2.368 174.831 177.300 -0.168 0.000 1.161 58 P CA -0.629 62.342 63.100 -0.216 0.000 0.768 58 P CB 0.153 31.759 31.700 -0.158 0.000 0.746 59 P HA 0.039 nan 4.420 nan 0.000 0.232 59 P C -0.639 176.576 177.300 -0.141 0.000 1.738 59 P CA 0.464 63.472 63.100 -0.153 0.000 0.948 59 P CB -0.021 31.590 31.700 -0.148 0.000 1.943 60 L N -0.148 121.002 121.223 -0.121 0.000 2.334 60 L HA 0.624 4.968 4.340 0.008 0.000 0.275 60 L C 1.475 178.283 176.870 -0.104 0.000 1.036 60 L CA -0.310 54.469 54.840 -0.102 0.000 0.807 60 L CB 0.930 42.942 42.059 -0.079 0.000 1.231 60 L HN 0.303 nan 8.230 nan 0.000 0.438 61 G N 2.361 111.099 108.800 -0.103 0.000 2.556 61 G HA2 -0.263 3.701 3.960 0.008 0.000 0.283 61 G HA3 -0.263 3.701 3.960 0.008 0.000 0.283 61 G C -1.439 173.392 174.900 -0.115 0.000 1.177 61 G CA 0.124 45.167 45.100 -0.094 0.000 0.978 61 G HN 0.616 nan 8.290 nan 0.000 0.554 62 P HA -0.017 nan 4.420 nan 0.000 0.227 62 P C 1.483 178.724 177.300 -0.099 0.000 1.145 62 P CA 1.278 64.341 63.100 -0.061 0.000 0.769 62 P CB -0.142 31.542 31.700 -0.027 0.000 0.769 63 L N -1.216 119.927 121.223 -0.134 0.000 2.653 63 L HA 0.210 4.555 4.340 0.008 0.000 0.231 63 L C 1.448 178.154 176.870 -0.273 0.000 1.153 63 L CA -0.354 54.386 54.840 -0.167 0.000 0.933 63 L CB -0.244 41.736 42.059 -0.131 0.000 1.175 63 L HN -0.114 nan 8.230 nan 0.000 0.473 64 R N 0.799 121.082 120.500 -0.361 0.000 2.254 64 R HA 0.216 4.561 4.340 0.008 0.000 0.318 64 R C -0.484 175.327 176.300 -0.814 0.000 1.031 64 R CA -0.351 55.340 56.100 -0.681 0.000 0.905 64 R CB 0.344 30.132 30.300 -0.854 0.000 1.050 64 R HN 0.081 nan 8.270 nan 0.000 0.456 65 F N 0.374 119.948 119.950 -0.626 0.000 3.023 65 F HA -0.250 4.280 4.527 0.006 0.000 0.297 65 F C -0.306 174.339 175.800 -1.924 0.000 0.858 65 F CA 1.050 58.294 58.000 -1.259 0.000 1.222 65 F CB -2.604 36.123 39.000 -0.455 0.000 1.263 65 F HN 0.613 nan 8.300 nan 0.000 0.565 66 T N -3.583 110.161 114.554 -1.350 0.000 2.868 66 T HA 0.752 5.107 4.350 0.008 0.000 0.306 66 T C -3.059 171.519 174.700 -0.204 0.000 1.224 66 T CA -2.444 59.168 62.100 -0.812 0.000 1.012 66 T CB 3.246 71.929 68.868 -0.309 0.000 1.221 66 T HN -0.249 nan 8.240 nan 0.000 0.499 67 P HA 0.223 nan 4.420 nan 0.000 0.267 67 P C -2.368 175.001 177.300 0.115 0.000 1.200 67 P CA -0.822 62.442 63.100 0.274 0.000 0.772 67 P CB -0.322 31.530 31.700 0.254 0.000 0.855 68 P HA 0.103 nan 4.420 nan 0.000 0.271 68 P C -0.612 176.712 177.300 0.041 0.000 1.220 68 P CA 0.028 63.153 63.100 0.042 0.000 0.768 68 P CB 0.604 32.339 31.700 0.059 0.000 0.848 69 Q N 4.117 123.913 119.800 -0.005 0.000 2.214 69 Q HA 0.450 4.794 4.340 0.008 0.000 0.251 69 Q C -2.261 173.740 176.000 0.001 0.000 0.936 69 Q CA -2.111 53.696 55.803 0.007 0.000 0.894 69 Q CB 0.073 28.804 28.738 -0.012 0.000 1.252 69 Q HN 0.330 nan 8.270 nan 0.000 0.448 70 P HA 0.073 nan 4.420 nan 0.000 0.266 70 P C -1.428 175.840 177.300 -0.053 0.000 1.195 70 P CA 0.071 63.195 63.100 0.041 0.000 0.768 70 P CB 0.635 32.394 31.700 0.097 0.000 0.838 71 A N 2.908 125.631 122.820 -0.162 0.000 2.354 71 A HA 0.210 4.535 4.320 0.008 0.000 0.269 71 A C 0.333 177.772 177.584 -0.242 0.000 1.109 71 A CA -0.398 51.516 52.037 -0.205 0.000 0.800 71 A CB -0.023 18.865 19.000 -0.185 0.000 1.045 71 A HN 0.433 nan 8.150 nan 0.000 0.489 72 E N 2.595 122.753 120.200 -0.070 0.000 2.392 72 E HA 0.222 4.577 4.350 0.008 0.000 0.264 72 E C -2.051 174.579 176.600 0.050 0.000 1.024 72 E CA -1.377 55.024 56.400 0.001 0.000 0.903 72 E CB 0.107 29.836 29.700 0.048 0.000 0.963 72 E HN 0.510 nan 8.360 nan 0.000 0.432 73 P HA 0.174 nan 4.420 nan 0.000 0.274 73 P C -0.792 176.564 177.300 0.095 0.000 1.246 73 P CA -0.421 62.639 63.100 -0.067 0.000 0.795 73 P CB 0.379 32.043 31.700 -0.061 0.000 1.006 74 W N -0.353 121.028 121.300 0.134 0.000 2.639 74 W HA 0.600 5.262 4.660 0.003 0.000 0.347 74 W C 0.737 177.335 176.519 0.131 0.000 1.067 74 W CA -0.690 56.734 57.345 0.131 0.000 1.218 74 W CB -0.193 29.352 29.460 0.141 0.000 1.393 74 W HN 0.127 nan 8.180 nan 0.000 0.557 75 S N 0.694 116.635 115.700 0.402 0.000 2.387 75 S HA -0.008 4.467 4.470 0.008 0.000 0.226 75 S C 0.543 175.251 174.600 0.181 0.000 1.026 75 S CA 0.874 59.235 58.200 0.270 0.000 0.972 75 S CB -0.307 63.115 63.200 0.370 0.000 0.814 75 S HN 0.413 nan 8.310 nan 0.000 0.477 76 F N 0.151 120.252 119.950 0.252 0.000 3.022 76 F HA 0.454 4.985 4.527 0.006 0.000 0.193 76 F C 0.129 176.101 175.800 0.287 0.000 1.462 76 F CA -1.216 56.904 58.000 0.200 0.000 0.914 76 F CB -0.353 38.720 39.000 0.122 0.000 2.028 76 F HN -0.336 nan 8.300 nan 0.000 0.451 77 V N 1.436 121.606 119.914 0.426 0.000 2.294 77 V HA 0.220 4.344 4.120 0.008 0.000 0.272 77 V C -0.185 175.990 176.094 0.135 0.000 1.027 77 V CA -1.091 61.382 62.300 0.287 0.000 0.823 77 V CB 0.518 32.468 31.823 0.211 0.000 1.030 77 V HN 0.388 nan 8.190 nan 0.000 0.457 78 K N 4.295 124.689 120.400 -0.010 0.000 2.382 78 K HA 0.097 4.422 4.320 0.008 0.000 0.286 78 K C 0.370 176.905 176.600 -0.108 0.000 1.062 78 K CA -0.246 55.880 56.287 -0.268 0.000 1.000 78 K CB 0.194 32.180 32.500 -0.857 0.000 0.954 78 K HN 0.558 nan 8.250 nan 0.000 0.470 79 N N 3.472 122.119 118.700 -0.088 0.000 3.127 79 N HA -0.010 4.734 4.740 0.008 0.000 0.317 79 N C -0.567 174.890 175.510 -0.089 0.000 1.242 79 N CA 0.135 53.148 53.050 -0.063 0.000 1.203 79 N CB 0.384 38.832 38.487 -0.065 0.000 1.462 79 N HN 0.520 nan 8.380 nan 0.000 0.546 80 A N 0.708 123.492 122.820 -0.059 0.000 3.092 80 A HA 0.080 4.405 4.320 0.008 0.000 0.278 80 A C 1.081 178.605 177.584 -0.100 0.000 1.956 80 A CA -0.053 51.944 52.037 -0.066 0.000 1.501 80 A CB -0.851 18.171 19.000 0.036 0.000 0.977 80 A HN 0.362 nan 8.150 nan 0.000 0.607 81 T N -2.590 111.867 114.554 -0.161 0.000 3.339 81 T HA 0.468 4.822 4.350 0.008 0.000 0.292 81 T C 0.072 174.606 174.700 -0.276 0.000 1.012 81 T CA -0.061 61.907 62.100 -0.219 0.000 0.937 81 T CB -0.104 68.654 68.868 -0.183 0.000 1.164 81 T HN 0.260 nan 8.240 nan 0.000 0.509 82 S N 0.442 115.968 115.700 -0.289 0.000 2.549 82 S HA 0.580 5.055 4.470 0.008 0.000 0.280 82 S C -1.431 172.980 174.600 -0.316 0.000 1.109 82 S CA -0.792 57.225 58.200 -0.304 0.000 0.905 82 S CB 0.925 64.016 63.200 -0.181 0.000 1.081 82 S HN 0.323 nan 8.310 nan 0.000 0.477 83 Y N 3.648 123.878 120.300 -0.118 0.000 2.650 83 Y HA 0.186 4.740 4.550 0.007 0.000 0.331 83 Y C -1.554 174.232 175.900 -0.189 0.000 1.165 83 Y CA -1.329 56.697 58.100 -0.124 0.000 1.473 83 Y CB -0.212 38.197 38.460 -0.085 0.000 1.224 83 Y HN 0.349 nan 8.280 nan 0.000 0.533 84 P HA 0.160 nan 4.420 nan 0.000 0.274 84 P C -2.661 174.560 177.300 -0.132 0.000 1.231 84 P CA -1.541 61.356 63.100 -0.340 0.000 0.790 84 P CB 0.880 32.223 31.700 -0.595 0.000 0.951 85 P HA 0.112 nan 4.420 nan 0.000 0.269 85 P C -0.101 177.180 177.300 -0.032 0.000 1.217 85 P CA 0.273 63.339 63.100 -0.057 0.000 0.783 85 P CB 0.181 31.855 31.700 -0.043 0.000 0.898 86 M N -0.064 119.494 119.600 -0.069 0.000 2.363 86 M HA 0.464 4.949 4.480 0.008 0.000 0.343 86 M C -0.651 175.576 176.300 -0.122 0.000 1.165 86 M CA -0.660 54.590 55.300 -0.083 0.000 1.046 86 M CB 0.550 33.082 32.600 -0.113 0.000 1.648 86 M HN 0.115 nan 8.290 nan 0.000 0.452 87 c N 2.063 120.583 118.600 -0.134 0.000 2.641 87 c HA 0.082 4.656 4.570 0.008 0.000 0.412 87 c C 0.981 174.885 174.090 -0.309 0.000 1.312 87 c CA -0.182 56.009 56.329 -0.231 0.000 1.838 87 c CB -0.632 41.756 42.510 -0.203 0.000 2.682 87 c HN 0.891 nan 8.230 nan 0.000 0.627 88 T N 4.247 118.468 114.554 -0.554 0.000 2.891 88 T HA 0.284 4.638 4.350 0.008 0.000 0.296 88 T C -0.004 174.477 174.700 -0.366 0.000 1.025 88 T CA 0.326 62.050 62.100 -0.626 0.000 1.149 88 T CB -0.138 67.942 68.868 -1.314 0.000 1.007 88 T HN 0.895 nan 8.240 nan 0.000 0.528 89 Q N 0.725 120.432 119.800 -0.156 0.000 2.832 89 Q HA 0.344 4.689 4.340 0.008 0.000 0.329 89 Q C -1.626 174.383 176.000 0.016 0.000 0.816 89 Q CA -1.142 54.658 55.803 -0.004 0.000 0.804 89 Q CB 0.779 29.509 28.738 -0.012 0.000 1.376 89 Q HN 0.352 nan 8.270 nan 0.000 0.503 90 D N 2.384 122.809 120.400 0.041 0.000 2.367 90 D HA 0.101 4.746 4.640 0.008 0.000 0.255 90 D C -1.276 175.018 176.300 -0.011 0.000 1.300 90 D CA -1.766 52.248 54.000 0.024 0.000 0.959 90 D CB 0.961 41.779 40.800 0.031 0.000 1.064 90 D HN 0.279 nan 8.370 nan 0.000 0.509 91 P HA -0.226 nan 4.420 nan 0.000 0.218 91 P C 0.941 178.217 177.300 -0.041 0.000 1.152 91 P CA 1.334 64.411 63.100 -0.039 0.000 0.857 91 P CB 0.463 32.141 31.700 -0.036 0.000 0.787 92 K N -0.563 119.819 120.400 -0.030 0.000 2.116 92 K HA 0.068 4.393 4.320 0.008 0.000 0.203 92 K C 2.422 178.997 176.600 -0.041 0.000 1.052 92 K CA 1.083 57.351 56.287 -0.032 0.000 0.952 92 K CB -0.369 32.117 32.500 -0.022 0.000 0.729 92 K HN 0.042 nan 8.250 nan 0.000 0.446 93 A N 1.253 124.051 122.820 -0.036 0.000 1.872 93 A HA -0.045 4.279 4.320 0.008 0.000 0.214 93 A C 2.397 179.938 177.584 -0.072 0.000 1.187 93 A CA 1.765 53.773 52.037 -0.047 0.000 0.614 93 A CB -1.128 17.859 19.000 -0.023 0.000 0.826 93 A HN 0.389 nan 8.150 nan 0.000 0.442 94 G N -0.914 107.848 108.800 -0.063 0.000 2.418 94 G HA2 -0.272 3.692 3.960 0.008 0.000 0.217 94 G HA3 -0.272 3.692 3.960 0.008 0.000 0.217 94 G C 1.640 176.473 174.900 -0.112 0.000 1.158 94 G CA 1.111 46.160 45.100 -0.086 0.000 0.771 94 G HN 0.609 nan 8.290 nan 0.000 0.545 95 Q N -0.726 119.017 119.800 -0.095 0.000 2.119 95 Q HA 0.001 4.346 4.340 0.008 0.000 0.201 95 Q C 2.425 178.364 176.000 -0.102 0.000 0.972 95 Q CA 0.795 56.539 55.803 -0.098 0.000 0.847 95 Q CB -0.155 28.539 28.738 -0.074 0.000 0.903 95 Q HN 0.406 nan 8.270 nan 0.000 0.433 96 L N 0.324 121.490 121.223 -0.095 0.000 2.005 96 L HA -0.157 4.188 4.340 0.008 0.000 0.207 96 L C 2.130 178.911 176.870 -0.149 0.000 1.072 96 L CA 1.433 56.216 54.840 -0.095 0.000 0.744 96 L CB -0.649 41.359 42.059 -0.085 0.000 0.895 96 L HN 0.320 nan 8.230 nan 0.000 0.433 97 L N -1.111 119.990 121.223 -0.203 0.000 2.083 97 L HA -0.179 4.166 4.340 0.008 0.000 0.209 97 L C 2.704 179.364 176.870 -0.351 0.000 1.083 97 L CA 1.965 56.596 54.840 -0.349 0.000 0.752 97 L CB -0.715 41.143 42.059 -0.335 0.000 0.899 97 L HN 0.456 nan 8.230 nan 0.000 0.433 98 S N -1.123 114.433 115.700 -0.240 0.000 2.423 98 S HA -0.184 4.291 4.470 0.008 0.000 0.231 98 S C 1.837 176.322 174.600 -0.191 0.000 1.014 98 S CA 1.432 59.489 58.200 -0.237 0.000 0.965 98 S CB -0.212 62.860 63.200 -0.214 0.000 0.785 98 S HN 0.617 nan 8.310 nan 0.000 0.495 99 E N 0.014 120.134 120.200 -0.133 0.000 2.299 99 E HA 0.152 4.507 4.350 0.008 0.000 0.193 99 E C 1.604 178.214 176.600 0.016 0.000 0.998 99 E CA 0.516 56.881 56.400 -0.059 0.000 0.851 99 E CB 0.069 29.749 29.700 -0.033 0.000 0.795 99 E HN 0.492 nan 8.360 nan 0.000 0.492 100 L N -0.512 120.704 121.223 -0.012 0.000 2.529 100 L HA 0.096 4.441 4.340 0.008 0.000 0.223 100 L C 1.099 178.175 176.870 0.344 0.000 1.113 100 L CA 0.103 55.032 54.840 0.148 0.000 0.861 100 L CB 0.237 42.325 42.059 0.048 0.000 1.012 100 L HN 0.145 nan 8.230 nan 0.000 0.461 101 F N -0.762 119.104 119.950 -0.141 0.000 2.712 101 F HA 0.171 4.702 4.527 0.007 0.000 0.297 101 F C 1.738 177.204 175.800 -0.557 0.000 1.114 101 F CA -0.548 57.247 58.000 -0.341 0.000 1.305 101 F CB -0.471 38.372 39.000 -0.262 0.000 1.086 101 F HN -0.183 nan 8.300 nan 0.000 0.599 102 T N 1.869 116.259 114.554 -0.273 0.000 2.854 102 T HA -0.069 4.286 4.350 0.008 0.000 0.336 102 T C 1.231 175.750 174.700 -0.302 0.000 1.095 102 T CA 0.742 62.619 62.100 -0.371 0.000 1.118 102 T CB 0.373 69.097 68.868 -0.239 0.000 1.025 102 T HN 0.416 nan 8.240 nan 0.000 0.549 103 N N 1.898 120.416 118.700 -0.305 0.000 2.193 103 N HA 0.040 4.784 4.740 0.008 0.000 0.210 103 N C 0.513 175.935 175.510 -0.147 0.000 1.215 103 N CA -0.352 52.565 53.050 -0.222 0.000 0.901 103 N CB -0.062 38.291 38.487 -0.223 0.000 1.060 103 N HN 0.753 nan 8.380 nan 0.000 0.508 104 R N 0.566 120.985 120.500 -0.134 0.000 2.652 104 R HA 0.266 4.610 4.340 0.008 0.000 0.271 104 R C 1.173 177.453 176.300 -0.033 0.000 1.129 104 R CA -0.548 55.512 56.100 -0.068 0.000 1.200 104 R CB 0.902 31.160 30.300 -0.070 0.000 1.146 104 R HN -0.218 nan 8.270 nan 0.000 0.581 105 K N 0.640 121.043 120.400 0.005 0.000 1.975 105 K HA -0.244 4.080 4.320 0.008 0.000 0.225 105 K C -0.044 176.566 176.600 0.016 0.000 1.050 105 K CA 2.353 58.658 56.287 0.029 0.000 0.992 105 K CB -0.424 32.100 32.500 0.039 0.000 0.738 105 K HN 0.810 nan 8.250 nan 0.000 0.446 106 E N 0.405 120.604 120.200 -0.001 0.000 2.222 106 E HA 0.204 4.559 4.350 0.008 0.000 0.272 106 E C -0.579 175.990 176.600 -0.052 0.000 0.982 106 E CA -1.050 55.342 56.400 -0.013 0.000 0.842 106 E CB 0.903 30.598 29.700 -0.008 0.000 1.144 106 E HN 0.245 nan 8.360 nan 0.000 0.397 107 N N 2.271 120.934 118.700 -0.061 0.000 2.482 107 N HA 0.060 4.804 4.740 0.008 0.000 0.260 107 N C -0.638 174.796 175.510 -0.127 0.000 1.236 107 N CA -0.212 52.773 53.050 -0.108 0.000 0.938 107 N CB 0.543 38.972 38.487 -0.097 0.000 1.128 107 N HN 0.463 nan 8.380 nan 0.000 0.448 108 I N 3.807 124.259 120.570 -0.196 0.000 2.336 108 I HA 0.298 4.473 4.170 0.008 0.000 0.292 108 I C -1.948 174.058 176.117 -0.184 0.000 0.991 108 I CA -2.431 58.737 61.300 -0.221 0.000 1.227 108 I CB 0.755 38.505 38.000 -0.416 0.000 1.366 108 I HN 0.353 nan 8.210 nan 0.000 0.466 109 P HA 0.364 nan 4.420 nan 0.000 0.276 109 P C -0.835 176.405 177.300 -0.100 0.000 1.243 109 P CA -0.133 62.908 63.100 -0.098 0.000 0.768 109 P CB 1.285 32.946 31.700 -0.064 0.000 0.856 110 L N 2.625 123.785 121.223 -0.104 0.000 2.303 110 L HA 0.566 4.911 4.340 0.008 0.000 0.266 110 L C 0.549 177.372 176.870 -0.079 0.000 1.011 110 L CA -1.196 53.587 54.840 -0.095 0.000 0.818 110 L CB 1.641 43.629 42.059 -0.118 0.000 1.326 110 L HN 0.184 nan 8.230 nan 0.000 0.435 111 K N 0.671 121.028 120.400 -0.072 0.000 2.238 111 K HA 0.727 5.052 4.320 0.008 0.000 0.239 111 K C -1.170 175.379 176.600 -0.084 0.000 0.987 111 K CA -0.375 55.870 56.287 -0.070 0.000 0.857 111 K CB 1.510 33.974 32.500 -0.060 0.000 1.154 111 K HN 0.320 nan 8.250 nan 0.000 0.439 112 L N 0.338 121.506 121.223 -0.092 0.000 2.334 112 L HA 0.707 5.052 4.340 0.008 0.000 0.273 112 L C -0.192 176.598 176.870 -0.132 0.000 1.013 112 L CA -0.710 54.054 54.840 -0.126 0.000 0.816 112 L CB 1.923 43.900 42.059 -0.137 0.000 1.278 112 L HN 0.508 nan 8.230 nan 0.000 0.431 113 S N -0.213 115.382 115.700 -0.175 0.000 2.586 113 S HA 0.137 4.612 4.470 0.008 0.000 0.277 113 S C 0.145 174.603 174.600 -0.236 0.000 1.131 113 S CA -0.575 57.525 58.200 -0.166 0.000 0.848 113 S CB 1.610 64.756 63.200 -0.090 0.000 1.091 113 S HN 0.785 nan 8.310 nan 0.000 0.453 114 E N 0.718 120.777 120.200 -0.235 0.000 2.204 114 E HA -0.118 4.237 4.350 0.008 0.000 0.194 114 E C -0.196 176.291 176.600 -0.188 0.000 0.989 114 E CA 0.788 57.025 56.400 -0.272 0.000 0.824 114 E CB 0.070 29.680 29.700 -0.149 0.000 0.756 114 E HN 0.523 nan 8.360 nan 0.000 0.477 115 D N -0.221 120.106 120.400 -0.122 0.000 2.470 115 D HA -0.016 4.628 4.640 0.008 0.000 0.226 115 D C 0.010 176.311 176.300 0.002 0.000 1.196 115 D CA -0.181 53.763 54.000 -0.094 0.000 0.979 115 D CB -0.037 40.744 40.800 -0.031 0.000 1.059 115 D HN 0.115 nan 8.370 nan 0.000 0.515 116 c N 2.314 120.860 118.600 -0.091 0.000 3.865 116 c HA 0.343 4.918 4.570 0.008 0.000 0.297 116 c C 0.793 174.855 174.090 -0.047 0.000 1.758 116 c CA -0.692 55.677 56.329 0.067 0.000 1.778 116 c CB -1.339 41.165 42.510 -0.011 0.000 3.158 116 c HN 0.449 nan 8.230 nan 0.000 0.598 117 L N 2.432 123.408 121.223 -0.412 0.000 2.388 117 L HA 0.277 4.621 4.340 0.008 0.000 0.252 117 L C -0.339 176.080 176.870 -0.751 0.000 1.357 117 L CA 0.661 55.151 54.840 -0.583 0.000 1.214 117 L CB -0.846 40.687 42.059 -0.876 0.000 1.392 117 L HN 0.453 nan 8.230 nan 0.000 0.432 118 Y N 1.761 122.086 120.300 0.042 0.000 2.876 118 Y HA 0.763 5.319 4.550 0.011 0.000 0.318 118 Y C -0.024 176.061 175.900 0.308 0.000 1.275 118 Y CA -1.060 57.124 58.100 0.140 0.000 1.144 118 Y CB 1.398 39.874 38.460 0.027 0.000 1.376 118 Y HN 0.133 nan 8.280 nan 0.000 0.589 119 L N -1.111 120.305 121.223 0.321 0.000 2.940 119 L HA 0.619 4.963 4.340 0.008 0.000 0.270 119 L C -2.081 174.829 176.870 0.066 0.000 1.030 119 L CA -1.242 53.678 54.840 0.134 0.000 0.928 119 L CB 1.456 43.466 42.059 -0.083 0.000 1.506 119 L HN 0.459 nan 8.230 nan 0.000 0.405 120 N N 0.562 119.324 118.700 0.103 0.000 2.238 120 N HA 0.818 5.562 4.740 0.008 0.000 0.302 120 N C -1.462 174.089 175.510 0.069 0.000 1.072 120 N CA -0.183 52.914 53.050 0.080 0.000 0.792 120 N CB 2.637 41.258 38.487 0.222 0.000 1.425 120 N HN 0.726 nan 8.380 nan 0.000 0.478 121 I N 1.532 122.044 120.570 -0.097 0.000 2.465 121 I HA 0.308 4.483 4.170 0.008 0.000 0.291 121 I C -1.094 174.924 176.117 -0.166 0.000 1.014 121 I CA -0.552 60.714 61.300 -0.056 0.000 1.093 121 I CB 1.281 39.115 38.000 -0.276 0.000 1.267 121 I HN 0.386 nan 8.210 nan 0.000 0.431 122 Y N 3.822 124.223 120.300 0.169 0.000 2.863 122 Y HA 0.338 4.893 4.550 0.007 0.000 0.348 122 Y C 0.455 176.453 175.900 0.163 0.000 1.028 122 Y CA -0.708 57.489 58.100 0.162 0.000 1.213 122 Y CB 1.538 40.072 38.460 0.124 0.000 1.120 122 Y HN 0.405 nan 8.280 nan 0.000 0.598 123 T N 4.576 119.299 114.554 0.283 0.000 2.767 123 T HA 0.301 4.656 4.350 0.008 0.000 0.288 123 T C -2.112 172.720 174.700 0.220 0.000 0.963 123 T CA -2.114 60.145 62.100 0.265 0.000 1.019 123 T CB 0.983 70.054 68.868 0.339 0.000 0.923 123 T HN 0.276 nan 8.240 nan 0.000 0.468 124 P HA 0.348 nan 4.420 nan 0.000 0.259 124 P C -0.090 177.281 177.300 0.119 0.000 1.530 124 P CA -0.269 62.894 63.100 0.106 0.000 1.022 124 P CB 0.004 31.718 31.700 0.024 0.000 1.514 125 A N 0.381 123.293 122.820 0.154 0.000 2.259 125 A HA 0.359 4.683 4.320 0.008 0.000 0.278 125 A C -0.124 177.548 177.584 0.146 0.000 1.107 125 A CA -0.225 51.894 52.037 0.137 0.000 0.828 125 A CB -0.037 19.048 19.000 0.141 0.000 1.111 125 A HN -0.046 nan 8.150 nan 0.000 0.498 126 D N 0.615 121.083 120.400 0.114 0.000 2.505 126 D HA 0.390 5.035 4.640 0.008 0.000 0.242 126 D C 1.107 177.469 176.300 0.104 0.000 1.136 126 D CA -0.173 53.891 54.000 0.107 0.000 0.954 126 D CB -0.334 40.509 40.800 0.071 0.000 1.002 126 D HN 0.408 nan 8.370 nan 0.000 0.512 127 L N 1.361 122.665 121.223 0.135 0.000 2.211 127 L HA -0.282 4.063 4.340 0.008 0.000 0.216 127 L C 2.568 179.479 176.870 0.068 0.000 1.092 127 L CA 1.764 56.664 54.840 0.101 0.000 0.767 127 L CB -1.161 40.973 42.059 0.125 0.000 0.894 127 L HN 0.467 nan 8.230 nan 0.000 0.437 128 T N -0.901 113.700 114.554 0.078 0.000 2.720 128 T HA -0.201 4.154 4.350 0.008 0.000 0.268 128 T C 0.828 175.549 174.700 0.036 0.000 1.037 128 T CA 1.056 63.188 62.100 0.054 0.000 1.144 128 T CB -0.340 68.560 68.868 0.052 0.000 0.864 128 T HN 0.489 nan 8.240 nan 0.000 0.444 129 K N 1.163 121.586 120.400 0.037 0.000 2.221 129 K HA 0.479 4.804 4.320 0.008 0.000 0.258 129 K C -0.666 175.951 176.600 0.028 0.000 0.944 129 K CA -1.102 55.201 56.287 0.027 0.000 0.823 129 K CB 2.069 34.585 32.500 0.026 0.000 1.113 129 K HN 0.073 nan 8.250 nan 0.000 0.431 130 K N 2.330 122.740 120.400 0.017 0.000 2.543 130 K HA -0.105 4.219 4.320 0.008 0.000 0.279 130 K C -0.670 175.945 176.600 0.025 0.000 1.001 130 K CA 0.759 57.055 56.287 0.015 0.000 1.088 130 K CB 0.242 32.746 32.500 0.006 0.000 0.863 130 K HN 0.638 nan 8.250 nan 0.000 0.488 131 N N 2.688 121.407 118.700 0.032 0.000 2.455 131 N HA 0.372 5.117 4.740 0.008 0.000 0.278 131 N C -1.295 174.239 175.510 0.040 0.000 1.291 131 N CA -0.703 52.373 53.050 0.042 0.000 0.780 131 N CB 1.860 40.385 38.487 0.063 0.000 1.520 131 N HN 0.430 nan 8.380 nan 0.000 0.486 132 R N 1.221 121.745 120.500 0.041 0.000 2.640 132 R HA 0.402 4.746 4.340 0.008 0.000 0.240 132 R C -1.051 175.273 176.300 0.040 0.000 1.519 132 R CA -0.177 55.945 56.100 0.036 0.000 1.570 132 R CB -0.127 30.184 30.300 0.017 0.000 1.446 132 R HN 0.445 nan 8.270 nan 0.000 0.738 133 L N 2.382 123.640 121.223 0.059 0.000 2.418 133 L HA 0.523 4.867 4.340 0.008 0.000 0.265 133 L C -1.662 175.244 176.870 0.060 0.000 1.143 133 L CA -1.915 52.962 54.840 0.061 0.000 0.809 133 L CB 0.561 42.668 42.059 0.079 0.000 1.124 133 L HN 0.200 nan 8.230 nan 0.000 0.456 134 P HA 0.108 nan 4.420 nan 0.000 0.271 134 P C -0.980 176.365 177.300 0.076 0.000 1.218 134 P CA -0.163 62.966 63.100 0.048 0.000 0.780 134 P CB 1.306 33.022 31.700 0.026 0.000 0.901 135 V N 3.484 123.455 119.914 0.096 0.000 2.769 135 V HA 0.476 4.601 4.120 0.008 0.000 0.312 135 V C 0.587 176.761 176.094 0.133 0.000 1.058 135 V CA -0.618 61.759 62.300 0.129 0.000 0.952 135 V CB 1.558 33.472 31.823 0.152 0.000 1.019 135 V HN 0.503 nan 8.190 nan 0.000 0.445 136 M N 3.180 122.886 119.600 0.177 0.000 1.980 136 M HA 0.371 4.855 4.480 0.008 0.000 0.282 136 M C -1.164 175.461 176.300 0.542 0.000 0.878 136 M CA -0.368 55.062 55.300 0.218 0.000 0.900 136 M CB 1.763 34.352 32.600 -0.018 0.000 1.577 136 M HN 0.394 nan 8.290 nan 0.000 0.396 137 V N 3.107 123.312 119.914 0.486 0.000 2.508 137 V HA 0.160 4.285 4.120 0.008 0.000 0.281 137 V C -0.461 175.924 176.094 0.486 0.000 1.041 137 V CA -0.046 62.502 62.300 0.413 0.000 1.016 137 V CB 0.765 32.714 31.823 0.209 0.000 0.984 137 V HN 0.800 nan 8.190 nan 0.000 0.478 138 W N 7.178 128.507 121.300 0.048 0.000 2.376 138 W HA 0.542 5.207 4.660 0.008 0.000 0.312 138 W C -1.130 175.240 176.519 -0.248 0.000 1.060 138 W CA -1.030 56.058 57.345 -0.428 0.000 1.221 138 W CB 1.286 30.485 29.460 -0.434 0.000 1.281 138 W HN 0.432 nan 8.180 nan 0.000 0.456 139 I N 8.323 128.290 120.570 -1.005 0.000 2.307 139 I HA 0.024 4.198 4.170 0.008 0.000 0.287 139 I C 1.188 176.644 176.117 -1.102 0.000 1.054 139 I CA -0.634 60.199 61.300 -0.777 0.000 1.218 139 I CB 0.379 38.018 38.000 -0.602 0.000 1.398 139 I HN 0.369 nan 8.210 nan 0.000 0.475 140 H N 4.949 123.660 119.070 -0.599 0.000 2.757 140 H HA 0.320 4.880 4.556 0.007 0.000 0.370 140 H C 0.168 175.480 175.328 -0.026 0.000 1.172 140 H CA -0.313 55.567 56.048 -0.280 0.000 1.426 140 H CB 0.905 30.848 29.762 0.301 0.000 1.438 140 H HN 0.593 nan 8.280 nan 0.000 0.612 141 G N -0.985 107.928 108.800 0.189 0.000 2.641 141 G HA2 0.447 4.412 3.960 0.008 0.000 0.239 141 G HA3 0.447 4.412 3.960 0.008 0.000 0.239 141 G C 0.358 175.489 174.900 0.386 0.000 1.402 141 G CA -0.687 44.536 45.100 0.205 0.000 1.046 141 G HN 1.281 nan 8.290 nan 0.000 0.565 142 G N -2.638 106.344 108.800 0.304 0.000 2.245 142 G HA2 0.386 4.350 3.960 0.008 0.000 0.116 142 G HA3 0.386 4.350 3.960 0.008 0.000 0.116 142 G C 1.099 176.087 174.900 0.147 0.000 1.054 142 G CA 0.640 45.879 45.100 0.232 0.000 0.728 142 G HN 2.285 nan 8.290 nan 0.000 0.483 143 G N -0.102 108.769 108.800 0.120 0.000 2.309 143 G HA2 -0.173 3.792 3.960 0.008 0.000 0.286 143 G HA3 -0.173 3.792 3.960 0.008 0.000 0.286 143 G C 1.237 176.125 174.900 -0.020 0.000 1.002 143 G CA 1.001 46.125 45.100 0.039 0.000 0.786 143 G HN 1.916 nan 8.290 nan 0.000 0.511 144 L N -3.837 117.403 121.223 0.028 0.000 4.625 144 L HA -0.283 4.061 4.340 0.008 0.000 0.428 144 L C 2.018 178.944 176.870 0.092 0.000 1.129 144 L CA 1.577 56.428 54.840 0.019 0.000 0.978 144 L CB -1.461 40.352 42.059 -0.409 0.000 2.043 144 L HN 0.434 nan 8.230 nan 0.000 0.847 145 M N -1.241 118.421 119.600 0.103 0.000 2.638 145 M HA 0.326 4.811 4.480 0.008 0.000 0.256 145 M C 0.767 177.155 176.300 0.146 0.000 1.282 145 M CA 1.158 56.550 55.300 0.152 0.000 1.155 145 M CB 0.813 33.497 32.600 0.138 0.000 1.345 145 M HN 0.245 nan 8.290 nan 0.000 0.523 146 V N -3.064 116.919 119.914 0.115 0.000 3.165 146 V HA 1.039 5.164 4.120 0.008 0.000 0.309 146 V C -0.262 175.900 176.094 0.112 0.000 1.267 146 V CA -0.263 62.083 62.300 0.076 0.000 1.067 146 V CB 1.206 33.049 31.823 0.033 0.000 1.082 146 V HN 0.492 nan 8.190 nan 0.000 0.451 147 G N -0.873 107.944 108.800 0.028 0.000 2.440 147 G HA2 0.612 4.577 3.960 0.008 0.000 0.684 147 G HA3 0.612 4.577 3.960 0.008 0.000 0.684 147 G C -0.607 174.103 174.900 -0.316 0.000 1.309 147 G CA -0.072 45.006 45.100 -0.037 0.000 0.931 147 G HN 2.685 nan 8.290 nan 0.000 0.612 148 A N -1.394 120.970 122.820 -0.759 0.000 2.515 148 A HA 1.095 5.419 4.320 0.008 0.000 0.299 148 A C 0.731 178.012 177.584 -0.504 0.000 1.179 148 A CA 0.846 52.545 52.037 -0.563 0.000 0.656 148 A CB 0.559 19.403 19.000 -0.259 0.000 1.306 148 A HN 2.546 nan 8.150 nan 0.000 0.459 149 A N -0.767 122.013 122.820 -0.066 0.000 1.944 149 A HA 0.318 4.642 4.320 0.008 0.000 0.207 149 A C 1.964 179.651 177.584 0.172 0.000 1.265 149 A CA 1.690 53.850 52.037 0.206 0.000 0.712 149 A CB -0.975 18.198 19.000 0.287 0.000 0.915 149 A HN 1.148 nan 8.150 nan 0.000 0.470 150 S N 0.515 116.261 115.700 0.077 0.000 2.423 150 S HA -0.194 4.280 4.470 0.008 0.000 0.238 150 S C 1.853 176.349 174.600 -0.173 0.000 1.028 150 S CA 1.903 60.113 58.200 0.017 0.000 1.000 150 S CB -0.697 62.445 63.200 -0.097 0.000 0.797 150 S HN 0.659 nan 8.310 nan 0.000 0.487 151 T N 0.561 114.956 114.554 -0.264 0.000 2.778 151 T HA -0.115 4.239 4.350 0.008 0.000 0.269 151 T C 0.010 174.312 174.700 -0.663 0.000 1.050 151 T CA 1.173 62.974 62.100 -0.500 0.000 1.137 151 T CB -0.296 68.171 68.868 -0.668 0.000 0.860 151 T HN 0.447 nan 8.240 nan 0.000 0.468 152 Y N 1.262 121.364 120.300 -0.330 0.000 2.335 152 Y HA 0.474 5.029 4.550 0.007 0.000 0.339 152 Y C -0.063 175.583 175.900 -0.423 0.000 0.987 152 Y CA -2.069 55.659 58.100 -0.620 0.000 1.140 152 Y CB 0.693 38.477 38.460 -1.127 0.000 1.173 152 Y HN -0.109 nan 8.280 nan 0.000 0.486 153 D N 1.897 122.128 120.400 -0.282 0.000 2.233 153 D HA 0.277 4.921 4.640 0.008 0.000 0.240 153 D C 0.878 176.982 176.300 -0.325 0.000 1.074 153 D CA -0.344 53.464 54.000 -0.320 0.000 0.838 153 D CB 1.755 42.464 40.800 -0.153 0.000 1.124 153 D HN 0.783 nan 8.370 nan 0.000 0.475 154 G N 2.995 111.254 108.800 -0.902 0.000 2.838 154 G HA2 -0.115 3.849 3.960 0.008 0.000 0.210 154 G HA3 -0.115 3.849 3.960 0.008 0.000 0.210 154 G C 1.389 176.130 174.900 -0.266 0.000 1.153 154 G CA 0.069 44.898 45.100 -0.452 0.000 0.778 154 G HN 0.505 nan 8.290 nan 0.000 0.539 155 L N 1.792 122.872 121.223 -0.239 0.000 2.077 155 L HA -0.303 4.042 4.340 0.008 0.000 0.231 155 L C 2.942 179.736 176.870 -0.127 0.000 1.100 155 L CA 2.810 57.639 54.840 -0.019 0.000 0.819 155 L CB -0.721 41.363 42.059 0.042 0.000 0.913 155 L HN 0.249 nan 8.230 nan 0.000 0.446 156 A N -1.314 121.436 122.820 -0.117 0.000 1.855 156 A HA -0.192 4.133 4.320 0.008 0.000 0.215 156 A C 2.238 179.726 177.584 -0.161 0.000 1.191 156 A CA 1.811 53.756 52.037 -0.152 0.000 0.613 156 A CB -1.054 17.917 19.000 -0.047 0.000 0.829 156 A HN 0.523 nan 8.150 nan 0.000 0.442 157 L N -0.501 120.637 121.223 -0.142 0.000 2.191 157 L HA -0.050 4.295 4.340 0.008 0.000 0.212 157 L C 2.502 179.311 176.870 -0.101 0.000 1.103 157 L CA 1.815 56.566 54.840 -0.148 0.000 0.769 157 L CB -0.489 41.422 42.059 -0.247 0.000 0.908 157 L HN 0.373 nan 8.230 nan 0.000 0.438 158 A N -0.508 122.253 122.820 -0.098 0.000 1.826 158 A HA 0.033 4.357 4.320 0.008 0.000 0.214 158 A C 2.446 179.948 177.584 -0.137 0.000 1.212 158 A CA 1.459 53.466 52.037 -0.049 0.000 0.605 158 A CB -1.327 17.696 19.000 0.037 0.000 0.861 158 A HN 0.484 nan 8.150 nan 0.000 0.447 159 A N -1.146 121.469 122.820 -0.342 0.000 1.883 159 A HA -0.234 4.090 4.320 0.008 0.000 0.217 159 A C 2.056 179.344 177.584 -0.493 0.000 1.186 159 A CA 1.812 53.447 52.037 -0.670 0.000 0.624 159 A CB -1.109 17.016 19.000 -1.459 0.000 0.822 159 A HN 0.652 nan 8.150 nan 0.000 0.444 160 H N -0.639 118.229 119.070 -0.336 0.000 2.489 160 H HA -0.024 4.537 4.556 0.007 0.000 0.293 160 H C 0.814 176.166 175.328 0.040 0.000 1.066 160 H CA 1.573 57.636 56.048 0.024 0.000 1.305 160 H CB 0.293 29.954 29.762 -0.168 0.000 1.386 160 H HN 0.472 nan 8.280 nan 0.000 0.551 161 E N -0.442 119.815 120.200 0.094 0.000 2.676 161 E HA 0.021 4.376 4.350 0.008 0.000 0.222 161 E C -0.215 176.421 176.600 0.060 0.000 0.968 161 E CA -0.289 56.157 56.400 0.076 0.000 1.090 161 E CB -0.060 29.668 29.700 0.047 0.000 1.066 161 E HN 0.380 nan 8.360 nan 0.000 0.496 162 N N 0.931 119.660 118.700 0.048 0.000 2.671 162 N HA -0.180 4.565 4.740 0.008 0.000 0.261 162 N C -0.695 174.847 175.510 0.054 0.000 1.053 162 N CA 0.479 53.560 53.050 0.052 0.000 0.732 162 N CB -0.681 37.848 38.487 0.070 0.000 0.887 162 N HN 0.031 nan 8.380 nan 0.000 0.546 163 V N -2.079 117.865 119.914 0.051 0.000 2.925 163 V HA 0.672 4.796 4.120 0.008 0.000 0.311 163 V C 0.292 176.445 176.094 0.098 0.000 1.104 163 V CA -0.982 61.357 62.300 0.066 0.000 0.954 163 V CB 2.069 33.918 31.823 0.043 0.000 1.022 163 V HN -0.076 nan 8.190 nan 0.000 0.427 164 V N 3.693 123.684 119.914 0.127 0.000 2.408 164 V HA 0.337 4.461 4.120 0.008 0.000 0.267 164 V C 0.316 176.532 176.094 0.203 0.000 1.047 164 V CA -0.275 62.130 62.300 0.174 0.000 0.937 164 V CB 0.960 32.888 31.823 0.175 0.000 0.999 164 V HN 0.720 nan 8.190 nan 0.000 0.472 165 V N 6.368 126.438 119.914 0.261 0.000 2.407 165 V HA 0.381 4.505 4.120 0.008 0.000 0.278 165 V C 0.062 176.396 176.094 0.399 0.000 1.037 165 V CA -0.336 62.154 62.300 0.316 0.000 0.900 165 V CB 1.635 33.616 31.823 0.264 0.000 0.983 165 V HN 0.627 nan 8.190 nan 0.000 0.459 166 V N 4.316 124.452 119.914 0.371 0.000 2.448 166 V HA 0.576 4.700 4.120 0.008 0.000 0.295 166 V C 0.184 176.490 176.094 0.353 0.000 1.025 166 V CA -0.495 61.996 62.300 0.319 0.000 0.859 166 V CB 2.212 34.170 31.823 0.225 0.000 0.988 166 V HN 0.985 nan 8.190 nan 0.000 0.431 167 T N 3.470 118.232 114.554 0.346 0.000 2.786 167 T HA 0.787 5.142 4.350 0.008 0.000 0.283 167 T C -0.476 174.380 174.700 0.260 0.000 0.992 167 T CA -0.521 61.799 62.100 0.366 0.000 0.954 167 T CB 1.153 70.275 68.868 0.422 0.000 0.934 167 T HN 0.645 nan 8.240 nan 0.000 0.440 168 I N 0.430 121.132 120.570 0.221 0.000 2.822 168 I HA 0.689 4.864 4.170 0.008 0.000 0.312 168 I C -0.588 175.733 176.117 0.339 0.000 1.011 168 I CA -1.249 60.145 61.300 0.157 0.000 1.105 168 I CB 1.831 39.806 38.000 -0.042 0.000 1.291 168 I HN 0.573 nan 8.210 nan 0.000 0.474 169 Q N 1.841 121.883 119.800 0.403 0.000 2.423 169 Q HA 0.551 4.895 4.340 0.008 0.000 0.278 169 Q C -1.946 174.348 176.000 0.490 0.000 1.097 169 Q CA -0.796 55.259 55.803 0.421 0.000 0.809 169 Q CB 2.958 31.873 28.738 0.297 0.000 1.391 169 Q HN 0.730 nan 8.270 nan 0.000 0.428 170 Y N -2.544 117.891 120.300 0.224 0.000 2.571 170 Y HA 0.530 5.083 4.550 0.006 0.000 0.341 170 Y C -0.827 175.146 175.900 0.121 0.000 1.076 170 Y CA -1.485 56.710 58.100 0.157 0.000 1.029 170 Y CB 0.739 39.250 38.460 0.085 0.000 1.308 170 Y HN 0.426 nan 8.280 nan 0.000 0.461 171 R N 2.461 123.023 120.500 0.104 0.000 2.638 171 R HA 0.351 4.696 4.340 0.008 0.000 0.268 171 R C -0.775 175.609 176.300 0.140 0.000 1.006 171 R CA 0.154 56.298 56.100 0.074 0.000 1.088 171 R CB 0.152 30.533 30.300 0.135 0.000 0.950 171 R HN 0.687 nan 8.270 nan 0.000 0.419 172 L N 0.968 122.304 121.223 0.188 0.000 2.286 172 L HA 0.511 4.856 4.340 0.008 0.000 0.265 172 L C 1.336 178.531 176.870 0.542 0.000 1.012 172 L CA -0.667 54.384 54.840 0.350 0.000 0.818 172 L CB 1.400 43.558 42.059 0.166 0.000 1.337 172 L HN 0.895 nan 8.230 nan 0.000 0.438 173 G N 0.582 109.722 108.800 0.566 0.000 2.652 173 G HA2 -0.345 3.620 3.960 0.008 0.000 0.318 173 G HA3 -0.345 3.620 3.960 0.008 0.000 0.318 173 G C 0.826 176.090 174.900 0.607 0.000 1.295 173 G CA 0.710 46.133 45.100 0.537 0.000 0.999 173 G HN 0.656 nan 8.290 nan 0.000 0.548 174 I N -0.664 120.210 120.570 0.506 0.000 2.127 174 I HA -0.197 3.978 4.170 0.008 0.000 0.241 174 I C 2.826 179.208 176.117 0.442 0.000 1.075 174 I CA 2.361 63.886 61.300 0.374 0.000 1.334 174 I CB -0.394 37.606 38.000 -0.001 0.000 1.040 174 I HN 0.567 nan 8.210 nan 0.000 0.405 175 W N 0.867 122.362 121.300 0.324 0.000 2.308 175 W HA -0.174 4.487 4.660 0.001 0.000 0.301 175 W C 2.239 178.886 176.519 0.213 0.000 1.220 175 W CA 1.394 58.838 57.345 0.166 0.000 1.240 175 W CB -0.720 28.760 29.460 0.032 0.000 1.142 175 W HN 0.287 nan 8.180 nan 0.000 0.521 176 G N -2.978 106.104 108.800 0.470 0.000 3.044 176 G HA2 0.114 4.078 3.960 0.008 0.000 0.223 176 G HA3 0.114 4.078 3.960 0.008 0.000 0.223 176 G C 0.612 175.277 174.900 -0.391 0.000 1.123 176 G CA -0.059 45.093 45.100 0.088 0.000 0.765 176 G HN 0.136 nan 8.290 nan 0.000 0.546 177 F N -1.038 119.198 119.950 0.476 0.000 2.915 177 F HA 0.405 4.939 4.527 0.012 0.000 0.347 177 F C 0.315 176.266 175.800 0.252 0.000 1.104 177 F CA -1.575 56.584 58.000 0.265 0.000 1.126 177 F CB 0.307 39.387 39.000 0.133 0.000 1.145 177 F HN -0.002 nan 8.300 nan 0.000 0.541 178 F N 2.544 122.731 119.950 0.395 0.000 2.602 178 F HA 0.290 4.821 4.527 0.008 0.000 0.385 178 F C 0.471 176.372 175.800 0.168 0.000 1.063 178 F CA 0.286 58.393 58.000 0.178 0.000 1.233 178 F CB 0.408 39.379 39.000 -0.048 0.000 1.067 178 F HN -0.076 nan 8.300 nan 0.000 0.564 179 S N 3.681 118.980 115.700 -0.669 0.000 2.548 179 S HA 0.343 4.817 4.470 0.008 0.000 0.276 179 S C 0.280 174.530 174.600 -0.584 0.000 1.129 179 S CA -0.077 57.856 58.200 -0.445 0.000 0.931 179 S CB 1.427 64.498 63.200 -0.214 0.000 1.068 179 S HN 0.813 nan 8.310 nan 0.000 0.480 180 T N 1.136 115.473 114.554 -0.361 0.000 3.122 180 T HA 0.484 4.838 4.350 0.008 0.000 0.250 180 T C 1.548 176.180 174.700 -0.114 0.000 1.067 180 T CA 0.733 62.692 62.100 -0.236 0.000 0.966 180 T CB -0.207 68.619 68.868 -0.070 0.000 1.002 180 T HN 1.757 nan 8.240 nan 0.000 0.542 181 G N 2.683 111.415 108.800 -0.113 0.000 3.909 181 G HA2 -0.359 3.606 3.960 0.008 0.000 0.218 181 G HA3 -0.359 3.606 3.960 0.008 0.000 0.218 181 G C 0.230 175.103 174.900 -0.044 0.000 1.404 181 G CA 0.335 45.390 45.100 -0.075 0.000 0.905 181 G HN 0.839 nan 8.290 nan 0.000 0.589 182 D N 1.186 121.579 120.400 -0.013 0.000 2.132 182 D HA 0.313 4.958 4.640 0.008 0.000 0.265 182 D C 1.683 177.965 176.300 -0.030 0.000 1.194 182 D CA 0.789 54.783 54.000 -0.010 0.000 0.988 182 D CB -0.235 40.588 40.800 0.039 0.000 1.167 182 D HN 0.538 nan 8.370 nan 0.000 0.517 183 E N -1.178 118.959 120.200 -0.105 0.000 2.474 183 E HA -0.114 4.240 4.350 0.008 0.000 0.194 183 E C 1.085 177.624 176.600 -0.100 0.000 1.041 183 E CA 0.375 56.703 56.400 -0.120 0.000 0.874 183 E CB -0.575 29.021 29.700 -0.173 0.000 0.914 183 E HN 0.504 nan 8.360 nan 0.000 0.498 184 H N 1.082 120.207 119.070 0.092 0.000 2.562 184 H HA 0.156 4.714 4.556 0.004 0.000 0.272 184 H C 0.126 175.561 175.328 0.179 0.000 1.019 184 H CA 1.007 57.124 56.048 0.115 0.000 1.160 184 H CB 0.314 30.129 29.762 0.088 0.000 1.334 184 H HN 0.151 nan 8.280 nan 0.000 0.611 185 S N -0.265 115.614 115.700 0.298 0.000 3.673 185 S HA 0.043 4.518 4.470 0.008 0.000 0.107 185 S C 0.922 175.725 174.600 0.338 0.000 0.858 185 S CA -0.601 57.888 58.200 0.482 0.000 0.821 185 S CB -0.459 62.973 63.200 0.388 0.000 1.261 185 S HN 0.324 nan 8.310 nan 0.000 0.685 186 R N 1.324 121.938 120.500 0.191 0.000 2.133 186 R HA 0.169 4.513 4.340 0.008 0.000 0.247 186 R C 1.574 177.707 176.300 -0.278 0.000 1.151 186 R CA 1.253 57.309 56.100 -0.072 0.000 0.971 186 R CB -0.503 29.729 30.300 -0.114 0.000 0.866 186 R HN 1.078 nan 8.270 nan 0.000 0.447 187 G N -0.174 108.218 108.800 -0.680 0.000 2.610 187 G HA2 -0.224 3.741 3.960 0.008 0.000 0.304 187 G HA3 -0.224 3.741 3.960 0.008 0.000 0.304 187 G C -0.616 173.525 174.900 -1.265 0.000 1.309 187 G CA -0.409 44.084 45.100 -1.012 0.000 0.906 187 G HN 0.239 nan 8.290 nan 0.000 0.521 188 N N -1.376 116.891 118.700 -0.722 0.000 2.776 188 N HA -0.187 4.557 4.740 0.008 0.000 0.250 188 N C 1.090 176.317 175.510 -0.471 0.000 1.112 188 N CA 1.941 54.781 53.050 -0.350 0.000 0.733 188 N CB -1.640 36.753 38.487 -0.157 0.000 1.097 188 N HN 0.727 nan 8.380 nan 0.000 0.558 189 W N 0.474 121.670 121.300 -0.173 0.000 2.342 189 W HA -0.060 4.617 4.660 0.027 0.000 0.297 189 W C 2.442 178.841 176.519 -0.199 0.000 1.213 189 W CA 0.829 58.102 57.345 -0.120 0.000 1.251 189 W CB -0.726 28.706 29.460 -0.048 0.000 1.136 189 W HN 0.286 nan 8.180 nan 0.000 0.526 190 G N 0.378 108.927 108.800 -0.419 0.000 2.514 190 G HA2 -0.298 3.667 3.960 0.008 0.000 0.217 190 G HA3 -0.298 3.667 3.960 0.008 0.000 0.217 190 G C 1.258 176.105 174.900 -0.089 0.000 1.198 190 G CA 1.477 46.411 45.100 -0.277 0.000 0.780 190 G HN 0.319 nan 8.290 nan 0.000 0.565 191 H N 0.222 119.256 119.070 -0.060 0.000 2.456 191 H HA 0.064 4.624 4.556 0.007 0.000 0.296 191 H C 2.685 177.997 175.328 -0.028 0.000 1.079 191 H CA 0.874 56.894 56.048 -0.048 0.000 1.322 191 H CB -0.068 29.687 29.762 -0.011 0.000 1.388 191 H HN 0.277 nan 8.280 nan 0.000 0.538 192 L N 0.285 121.580 121.223 0.119 0.000 2.156 192 L HA -0.119 4.225 4.340 0.008 0.000 0.208 192 L C 1.997 178.967 176.870 0.168 0.000 1.095 192 L CA 0.700 55.619 54.840 0.131 0.000 0.770 192 L CB -0.087 42.069 42.059 0.162 0.000 0.914 192 L HN 0.073 nan 8.230 nan 0.000 0.439 193 D N -0.167 120.349 120.400 0.194 0.000 2.144 193 D HA -0.172 4.473 4.640 0.008 0.000 0.200 193 D C 2.244 178.712 176.300 0.279 0.000 0.978 193 D CA 1.036 55.215 54.000 0.299 0.000 0.833 193 D CB -0.047 40.950 40.800 0.329 0.000 0.961 193 D HN 0.430 nan 8.370 nan 0.000 0.470 194 Q N 0.241 120.102 119.800 0.102 0.000 2.079 194 Q HA -0.059 4.286 4.340 0.008 0.000 0.200 194 Q C 2.387 178.371 176.000 -0.025 0.000 0.974 194 Q CA 0.752 56.527 55.803 -0.046 0.000 0.840 194 Q CB 0.039 28.653 28.738 -0.206 0.000 0.898 194 Q HN 0.135 nan 8.270 nan 0.000 0.430 195 V N 1.166 121.102 119.914 0.037 0.000 2.427 195 V HA -0.248 3.877 4.120 0.008 0.000 0.248 195 V C 2.255 178.408 176.094 0.098 0.000 1.051 195 V CA 1.707 64.041 62.300 0.056 0.000 1.048 195 V CB -0.870 30.999 31.823 0.076 0.000 0.666 195 V HN 0.390 nan 8.190 nan 0.000 0.456 196 A N -0.045 122.876 122.820 0.168 0.000 1.930 196 A HA -0.072 4.252 4.320 0.008 0.000 0.217 196 A C 2.422 180.148 177.584 0.236 0.000 1.175 196 A CA 1.919 54.114 52.037 0.264 0.000 0.627 196 A CB -0.650 18.582 19.000 0.387 0.000 0.815 196 A HN 0.544 nan 8.150 nan 0.000 0.443 197 A N 0.026 122.788 122.820 -0.096 0.000 1.845 197 A HA -0.086 4.239 4.320 0.008 0.000 0.215 197 A C 2.122 179.664 177.584 -0.071 0.000 1.195 197 A CA 1.505 53.169 52.037 -0.622 0.000 0.616 197 A CB -0.831 17.543 19.000 -1.044 0.000 0.832 197 A HN 0.460 nan 8.150 nan 0.000 0.443 198 L N -1.070 120.135 121.223 -0.031 0.000 2.089 198 L HA -0.280 4.064 4.340 0.008 0.000 0.213 198 L C 2.851 179.796 176.870 0.125 0.000 1.079 198 L CA 1.965 56.844 54.840 0.065 0.000 0.758 198 L CB -0.428 41.664 42.059 0.055 0.000 0.891 198 L HN 0.474 nan 8.230 nan 0.000 0.433 199 R N -0.829 119.757 120.500 0.142 0.000 2.075 199 R HA -0.231 4.114 4.340 0.008 0.000 0.232 199 R C 2.225 178.641 176.300 0.194 0.000 1.126 199 R CA 1.806 57.995 56.100 0.148 0.000 0.963 199 R CB -0.419 29.975 30.300 0.157 0.000 0.858 199 R HN 0.415 nan 8.270 nan 0.000 0.435 200 W N 0.472 121.820 121.300 0.080 0.000 2.338 200 W HA -0.239 4.425 4.660 0.006 0.000 0.304 200 W C 1.665 178.229 176.519 0.074 0.000 1.212 200 W CA 1.505 58.919 57.345 0.114 0.000 1.264 200 W CB -0.286 29.270 29.460 0.160 0.000 1.142 200 W HN -0.140 nan 8.180 nan 0.000 0.512 201 V N 1.010 121.160 119.914 0.392 0.000 2.255 201 V HA -0.374 3.750 4.120 0.008 0.000 0.247 201 V C 2.521 178.613 176.094 -0.003 0.000 1.051 201 V CA 2.235 64.662 62.300 0.212 0.000 1.018 201 V CB -1.129 30.839 31.823 0.241 0.000 0.641 201 V HN 0.233 nan 8.190 nan 0.000 0.445 202 Q N -0.576 119.242 119.800 0.031 0.000 2.297 202 Q HA -0.196 4.148 4.340 0.008 0.000 0.208 202 Q C 1.416 177.373 176.000 -0.071 0.000 0.981 202 Q CA 1.279 57.082 55.803 -0.000 0.000 0.876 202 Q CB -0.242 28.507 28.738 0.018 0.000 0.921 202 Q HN 0.674 nan 8.270 nan 0.000 0.446 203 D N -1.309 118.995 120.400 -0.160 0.000 2.433 203 D HA 0.097 4.742 4.640 0.008 0.000 0.211 203 D C 0.798 176.882 176.300 -0.359 0.000 1.114 203 D CA 0.039 53.907 54.000 -0.220 0.000 0.837 203 D CB 0.548 41.233 40.800 -0.192 0.000 0.984 203 D HN 0.157 nan 8.370 nan 0.000 0.505 204 N N 0.083 118.471 118.700 -0.519 0.000 2.324 204 N HA 0.002 4.747 4.740 0.008 0.000 0.235 204 N C 1.575 176.931 175.510 -0.256 0.000 1.162 204 N CA -0.186 52.509 53.050 -0.593 0.000 0.834 204 N CB 0.948 38.590 38.487 -1.408 0.000 1.354 204 N HN -0.034 nan 8.380 nan 0.000 0.471 205 I N 2.740 123.183 120.570 -0.211 0.000 2.479 205 I HA -0.226 3.948 4.170 0.008 0.000 0.258 205 I C 2.052 178.252 176.117 0.139 0.000 1.165 205 I CA 0.800 62.135 61.300 0.059 0.000 1.422 205 I CB -0.311 37.733 38.000 0.073 0.000 1.087 205 I HN 0.126 nan 8.210 nan 0.000 0.441 206 A N -0.960 121.882 122.820 0.037 0.000 1.858 206 A HA -0.214 4.110 4.320 0.008 0.000 0.216 206 A C 2.422 180.018 177.584 0.018 0.000 1.190 206 A CA 2.113 54.164 52.037 0.023 0.000 0.617 206 A CB -1.169 17.815 19.000 -0.027 0.000 0.827 206 A HN 0.441 nan 8.150 nan 0.000 0.443 207 S N -1.020 114.657 115.700 -0.040 0.000 2.493 207 S HA -0.065 4.410 4.470 0.008 0.000 0.243 207 S C 0.785 175.235 174.600 -0.251 0.000 0.991 207 S CA 0.918 59.018 58.200 -0.167 0.000 0.957 207 S CB -0.467 62.565 63.200 -0.279 0.000 0.756 207 S HN 0.519 nan 8.310 nan 0.000 0.521 208 F N 0.822 120.748 119.950 -0.041 0.000 2.645 208 F HA 0.332 4.863 4.527 0.007 0.000 0.300 208 F C 1.619 177.452 175.800 0.056 0.000 1.115 208 F CA -0.094 57.907 58.000 0.003 0.000 1.355 208 F CB -0.111 38.885 39.000 -0.007 0.000 1.026 208 F HN 0.218 nan 8.300 nan 0.000 0.536 209 G N 0.653 109.544 108.800 0.152 0.000 2.176 209 G HA2 -0.160 3.805 3.960 0.008 0.000 0.252 209 G HA3 -0.160 3.805 3.960 0.008 0.000 0.252 209 G C 0.495 175.472 174.900 0.129 0.000 1.024 209 G CA -0.045 45.129 45.100 0.123 0.000 0.755 209 G HN 0.762 nan 8.290 nan 0.000 0.507 210 G N -0.824 108.059 108.800 0.139 0.000 2.537 210 G HA2 0.586 4.551 3.960 0.008 0.000 0.323 210 G HA3 0.586 4.551 3.960 0.008 0.000 0.323 210 G C -0.587 174.362 174.900 0.082 0.000 1.207 210 G CA -0.294 44.877 45.100 0.118 0.000 0.976 210 G HN 0.702 nan 8.290 nan 0.000 0.487 211 N N 0.417 119.158 118.700 0.070 0.000 2.476 211 N HA 0.387 5.131 4.740 0.008 0.000 0.257 211 N C -1.138 174.408 175.510 0.060 0.000 0.970 211 N CA -2.031 51.047 53.050 0.046 0.000 0.938 211 N CB 2.434 40.934 38.487 0.021 0.000 1.144 211 N HN 0.101 nan 8.380 nan 0.000 0.500 212 P HA -0.044 nan 4.420 nan 0.000 0.223 212 P C 0.830 178.215 177.300 0.142 0.000 1.144 212 P CA 0.830 63.980 63.100 0.083 0.000 0.783 212 P CB 0.154 31.878 31.700 0.039 0.000 0.771 213 G N -0.813 108.024 108.800 0.061 0.000 3.088 213 G HA2 0.013 3.978 3.960 0.008 0.000 0.212 213 G HA3 0.013 3.978 3.960 0.008 0.000 0.212 213 G C 0.762 175.469 174.900 -0.322 0.000 1.173 213 G CA 0.148 45.224 45.100 -0.040 0.000 0.779 213 G HN 0.361 nan 8.290 nan 0.000 0.540 214 S N 0.063 115.747 115.700 -0.027 0.000 2.701 214 S HA 0.323 4.798 4.470 0.008 0.000 0.228 214 S C -0.144 174.568 174.600 0.187 0.000 0.948 214 S CA -0.461 57.732 58.200 -0.012 0.000 1.129 214 S CB -0.100 63.059 63.200 -0.069 0.000 1.352 214 S HN 0.001 nan 8.310 nan 0.000 0.446 215 V N 2.237 122.374 119.914 0.371 0.000 2.614 215 V HA 0.470 4.594 4.120 0.008 0.000 0.291 215 V C 0.442 176.684 176.094 0.247 0.000 1.049 215 V CA -0.132 62.321 62.300 0.254 0.000 1.038 215 V CB 1.269 33.228 31.823 0.227 0.000 0.980 215 V HN 0.524 nan 8.190 nan 0.000 0.481 216 T N 5.910 120.576 114.554 0.186 0.000 2.815 216 T HA 0.588 4.942 4.350 0.008 0.000 0.289 216 T C -0.231 174.594 174.700 0.210 0.000 1.000 216 T CA -0.219 61.981 62.100 0.166 0.000 0.958 216 T CB 0.935 69.839 68.868 0.060 0.000 0.944 216 T HN 0.675 nan 8.240 nan 0.000 0.442 217 I N 1.593 122.274 120.570 0.184 0.000 2.359 217 I HA 0.874 5.049 4.170 0.008 0.000 0.294 217 I C -1.008 175.295 176.117 0.310 0.000 0.987 217 I CA -0.979 60.430 61.300 0.182 0.000 1.225 217 I CB 0.826 38.720 38.000 -0.177 0.000 1.366 217 I HN 0.462 nan 8.210 nan 0.000 0.466 218 F N 3.330 123.274 119.950 -0.010 0.000 2.591 218 F HA 0.997 5.528 4.527 0.008 0.000 0.309 218 F C -0.359 175.272 175.800 -0.282 0.000 1.098 218 F CA -1.557 56.444 58.000 0.002 0.000 0.937 218 F CB 1.149 40.284 39.000 0.226 0.000 1.250 218 F HN 0.765 nan 8.300 nan 0.000 0.447 219 G N 0.747 109.316 108.800 -0.385 0.000 2.708 219 G HA2 0.562 4.527 3.960 0.008 0.000 0.289 219 G HA3 0.562 4.527 3.960 0.008 0.000 0.289 219 G C -2.320 172.281 174.900 -0.499 0.000 1.416 219 G CA -0.807 43.743 45.100 -0.915 0.000 0.829 219 G HN 0.864 nan 8.290 nan 0.000 0.480 220 E N 0.047 119.946 120.200 -0.502 0.000 2.272 220 E HA 0.567 4.921 4.350 0.008 0.000 0.269 220 E C 0.403 176.991 176.600 -0.022 0.000 0.877 220 E CA 0.232 56.567 56.400 -0.109 0.000 0.755 220 E CB 2.121 31.845 29.700 0.039 0.000 1.192 220 E HN 0.948 nan 8.360 nan 0.000 0.422 221 S N 3.249 119.010 115.700 0.102 0.000 4.064 221 S HA -0.390 4.084 4.470 0.008 0.000 0.625 221 S C 1.499 176.183 174.600 0.140 0.000 2.010 221 S CA 2.361 60.721 58.200 0.265 0.000 4.186 221 S CB -1.670 61.761 63.200 0.385 0.000 0.211 221 S HN 1.136 nan 8.310 nan 0.000 0.605 222 A N 1.059 123.954 122.820 0.125 0.000 1.908 222 A HA 0.109 4.434 4.320 0.008 0.000 0.218 222 A C 2.661 180.211 177.584 -0.056 0.000 1.181 222 A CA 2.740 54.795 52.037 0.031 0.000 0.627 222 A CB -1.755 17.275 19.000 0.051 0.000 0.818 222 A HN 1.804 nan 8.150 nan 0.000 0.445 223 G N -0.787 107.945 108.800 -0.114 0.000 2.422 223 G HA2 0.022 3.987 3.960 0.008 0.000 0.218 223 G HA3 0.022 3.987 3.960 0.008 0.000 0.218 223 G C 1.497 176.236 174.900 -0.269 0.000 1.146 223 G CA 1.267 46.184 45.100 -0.305 0.000 0.769 223 G HN 0.733 nan 8.290 nan 0.000 0.547 224 G N 0.358 109.063 108.800 -0.159 0.000 2.418 224 G HA2 -0.184 3.780 3.960 0.008 0.000 0.217 224 G HA3 -0.184 3.780 3.960 0.008 0.000 0.217 224 G C 1.561 176.433 174.900 -0.047 0.000 1.158 224 G CA 1.186 46.239 45.100 -0.079 0.000 0.771 224 G HN 0.464 nan 8.290 nan 0.000 0.545 225 E N 0.998 121.176 120.200 -0.037 0.000 2.017 225 E HA -0.129 4.226 4.350 0.008 0.000 0.193 225 E C 2.656 179.227 176.600 -0.048 0.000 0.997 225 E CA 1.359 57.736 56.400 -0.038 0.000 0.804 225 E CB -0.452 29.224 29.700 -0.041 0.000 0.757 225 E HN 0.307 nan 8.360 nan 0.000 0.448 226 S N 0.510 116.192 115.700 -0.029 0.000 2.389 226 S HA -0.203 4.272 4.470 0.008 0.000 0.231 226 S C 2.121 176.645 174.600 -0.126 0.000 1.052 226 S CA 1.544 59.755 58.200 0.018 0.000 1.053 226 S CB -0.509 62.603 63.200 -0.147 0.000 0.886 226 S HN 0.181 nan 8.310 nan 0.000 0.456 227 V N 1.278 121.086 119.914 -0.177 0.000 2.214 227 V HA -0.212 3.913 4.120 0.008 0.000 0.244 227 V C 2.527 178.497 176.094 -0.206 0.000 1.045 227 V CA 2.116 64.280 62.300 -0.226 0.000 0.993 227 V CB -1.312 30.412 31.823 -0.164 0.000 0.633 227 V HN 0.608 nan 8.190 nan 0.000 0.449 228 S N -0.456 115.184 115.700 -0.100 0.000 2.400 228 S HA -0.242 4.232 4.470 0.008 0.000 0.234 228 S C 1.883 176.420 174.600 -0.105 0.000 1.049 228 S CA 2.190 60.353 58.200 -0.062 0.000 1.039 228 S CB -0.452 62.777 63.200 0.049 0.000 0.856 228 S HN 0.315 nan 8.310 nan 0.000 0.465 229 V N 1.926 121.756 119.914 -0.141 0.000 2.237 229 V HA -0.164 3.961 4.120 0.008 0.000 0.245 229 V C 2.392 178.394 176.094 -0.154 0.000 1.046 229 V CA 2.131 64.316 62.300 -0.192 0.000 1.007 229 V CB -0.797 30.814 31.823 -0.353 0.000 0.638 229 V HN 0.525 nan 8.190 nan 0.000 0.445 230 L N -0.299 120.823 121.223 -0.168 0.000 2.261 230 L HA -0.162 4.183 4.340 0.008 0.000 0.216 230 L C 2.350 179.254 176.870 0.057 0.000 1.114 230 L CA 0.769 55.542 54.840 -0.111 0.000 0.777 230 L CB -0.753 41.142 42.059 -0.274 0.000 0.910 230 L HN 0.210 nan 8.230 nan 0.000 0.440 231 V N 0.017 119.937 119.914 0.009 0.000 2.323 231 V HA -0.222 3.903 4.120 0.008 0.000 0.244 231 V C 2.130 178.380 176.094 0.259 0.000 1.041 231 V CA 1.505 63.922 62.300 0.194 0.000 1.025 231 V CB -0.226 31.555 31.823 -0.071 0.000 0.656 231 V HN 0.362 nan 8.190 nan 0.000 0.451 232 L N -0.110 121.167 121.223 0.090 0.000 2.552 232 L HA 0.079 4.423 4.340 0.008 0.000 0.227 232 L C 1.285 178.135 176.870 -0.033 0.000 1.146 232 L CA 0.295 55.125 54.840 -0.017 0.000 0.858 232 L CB -0.229 41.765 42.059 -0.108 0.000 0.969 232 L HN 0.198 nan 8.230 nan 0.000 0.451 233 S N -0.138 115.620 115.700 0.096 0.000 2.545 233 S HA 0.246 4.720 4.470 0.008 0.000 0.275 233 S C -1.633 173.122 174.600 0.259 0.000 1.299 233 S CA -1.270 56.991 58.200 0.100 0.000 1.048 233 S CB 1.185 64.411 63.200 0.044 0.000 0.938 233 S HN -0.101 nan 8.310 nan 0.000 0.496 234 P HA 0.107 nan 4.420 nan 0.000 0.229 234 P C 0.975 178.337 177.300 0.103 0.000 1.160 234 P CA 0.521 63.759 63.100 0.231 0.000 0.777 234 P CB 0.166 31.967 31.700 0.168 0.000 0.814 235 L N -1.082 120.192 121.223 0.085 0.000 2.127 235 L HA 0.023 4.367 4.340 0.008 0.000 0.203 235 L C 2.242 179.152 176.870 0.067 0.000 1.080 235 L CA 1.114 55.990 54.840 0.059 0.000 0.768 235 L CB -1.022 41.070 42.059 0.055 0.000 0.924 235 L HN -0.081 nan 8.230 nan 0.000 0.444 236 A N 0.025 122.919 122.820 0.122 0.000 2.216 236 A HA -0.140 4.185 4.320 0.008 0.000 0.214 236 A C 1.224 178.882 177.584 0.124 0.000 1.160 236 A CA 0.284 52.461 52.037 0.234 0.000 0.725 236 A CB -0.492 18.748 19.000 0.399 0.000 0.784 236 A HN 0.267 nan 8.150 nan 0.000 0.472 237 K N 0.757 121.115 120.400 -0.070 0.000 2.527 237 K HA -0.095 4.229 4.320 0.008 0.000 0.278 237 K C -0.124 176.235 176.600 -0.402 0.000 0.981 237 K CA 0.605 56.675 56.287 -0.361 0.000 1.009 237 K CB 0.020 32.324 32.500 -0.327 0.000 0.895 237 K HN 0.433 nan 8.250 nan 0.000 0.493 238 N N 1.998 120.311 118.700 -0.645 0.000 2.713 238 N HA -0.234 4.510 4.740 0.008 0.000 0.251 238 N C 0.262 175.563 175.510 -0.349 0.000 1.117 238 N CA 1.220 53.977 53.050 -0.488 0.000 0.770 238 N CB -1.115 37.189 38.487 -0.304 0.000 1.137 238 N HN 0.599 nan 8.380 nan 0.000 0.566 239 L N -1.351 119.691 121.223 -0.302 0.000 2.609 239 L HA 0.248 4.593 4.340 0.008 0.000 0.230 239 L C 0.392 177.290 176.870 0.048 0.000 1.087 239 L CA 0.276 55.097 54.840 -0.031 0.000 0.874 239 L CB 0.083 42.238 42.059 0.161 0.000 1.114 239 L HN 0.143 nan 8.230 nan 0.000 0.488 240 F N -4.424 115.330 119.950 -0.326 0.000 2.685 240 F HA 0.492 5.023 4.527 0.007 0.000 0.315 240 F C 0.542 176.038 175.800 -0.507 0.000 1.126 240 F CA -1.013 56.804 58.000 -0.305 0.000 0.950 240 F CB 0.784 39.716 39.000 -0.112 0.000 1.360 240 F HN -0.154 nan 8.300 nan 0.000 0.469 241 H N -0.624 118.501 119.070 0.092 0.000 3.457 241 H HA 0.425 4.986 4.556 0.008 0.000 0.255 241 H C -0.406 174.951 175.328 0.047 0.000 1.082 241 H CA -0.039 56.006 56.048 -0.005 0.000 1.189 241 H CB 0.964 30.716 29.762 -0.016 0.000 1.511 241 H HN 0.486 nan 8.280 nan 0.000 0.527 242 R N 0.331 120.979 120.500 0.248 0.000 2.668 242 R HA 0.709 5.053 4.340 0.008 0.000 0.272 242 R C -1.312 175.163 176.300 0.292 0.000 1.019 242 R CA -0.605 55.600 56.100 0.175 0.000 0.894 242 R CB 2.821 33.078 30.300 -0.072 0.000 1.228 242 R HN 0.101 nan 8.270 nan 0.000 0.460 243 A N 2.407 125.417 122.820 0.317 0.000 2.498 243 A HA 0.866 5.190 4.320 0.008 0.000 0.298 243 A C -1.218 176.546 177.584 0.300 0.000 1.075 243 A CA -0.719 51.425 52.037 0.179 0.000 0.714 243 A CB 1.242 20.157 19.000 -0.143 0.000 1.299 243 A HN 0.608 nan 8.150 nan 0.000 0.407 244 I N 0.720 121.419 120.570 0.216 0.000 2.548 244 I HA 0.326 4.501 4.170 0.008 0.000 0.287 244 I C -0.303 175.938 176.117 0.207 0.000 1.103 244 I CA -0.090 61.299 61.300 0.148 0.000 1.049 244 I CB 2.459 40.447 38.000 -0.020 0.000 1.232 244 I HN 0.417 nan 8.210 nan 0.000 0.429 245 S N 4.932 120.752 115.700 0.199 0.000 2.474 245 S HA 0.392 4.867 4.470 0.008 0.000 0.321 245 S C -0.537 174.121 174.600 0.097 0.000 1.080 245 S CA -0.644 57.635 58.200 0.132 0.000 1.106 245 S CB 0.817 64.109 63.200 0.154 0.000 0.984 245 S HN 0.466 nan 8.310 nan 0.000 0.464 246 E N 1.852 122.148 120.200 0.160 0.000 2.109 246 E HA 0.339 4.694 4.350 0.008 0.000 0.278 246 E C -0.517 176.169 176.600 0.143 0.000 0.954 246 E CA -0.539 56.002 56.400 0.236 0.000 0.779 246 E CB 1.088 31.006 29.700 0.362 0.000 1.093 246 E HN 0.597 nan 8.360 nan 0.000 0.401 247 S N 2.110 117.891 115.700 0.134 0.000 3.341 247 S HA -0.093 4.382 4.470 0.008 0.000 0.414 247 S C 0.092 174.984 174.600 0.488 0.000 0.869 247 S CA 0.618 58.941 58.200 0.205 0.000 1.349 247 S CB -1.044 62.124 63.200 -0.054 0.000 0.938 247 S HN 1.045 nan 8.310 nan 0.000 0.615 248 G N -0.538 108.522 108.800 0.434 0.000 2.760 248 G HA2 0.420 4.385 3.960 0.008 0.000 0.540 248 G HA3 0.420 4.385 3.960 0.008 0.000 0.540 248 G C -0.711 174.219 174.900 0.050 0.000 1.476 248 G CA -0.128 45.103 45.100 0.218 0.000 0.949 248 G HN 1.630 nan 8.290 nan 0.000 0.633 249 V N -0.498 119.392 119.914 -0.040 0.000 3.105 249 V HA 0.968 5.092 4.120 0.008 0.000 0.311 249 V C 1.510 177.561 176.094 -0.070 0.000 1.282 249 V CA 0.063 62.342 62.300 -0.035 0.000 1.065 249 V CB 0.915 32.713 31.823 -0.042 0.000 1.136 249 V HN 2.206 nan 8.190 nan 0.000 0.469 250 A N -0.761 122.026 122.820 -0.054 0.000 2.014 250 A HA 0.167 4.492 4.320 0.008 0.000 0.218 250 A C 1.750 179.275 177.584 -0.099 0.000 1.163 250 A CA 1.423 53.411 52.037 -0.082 0.000 0.652 250 A CB -0.590 18.367 19.000 -0.072 0.000 0.808 250 A HN 0.827 nan 8.150 nan 0.000 0.449 251 L N 0.251 121.420 121.223 -0.090 0.000 2.610 251 L HA 0.034 4.379 4.340 0.008 0.000 0.232 251 L C 0.185 176.972 176.870 -0.139 0.000 1.149 251 L CA 0.278 55.059 54.840 -0.099 0.000 0.872 251 L CB -0.057 41.960 42.059 -0.071 0.000 0.992 251 L HN 0.147 nan 8.230 nan 0.000 0.447 252 T N -0.395 114.057 114.554 -0.170 0.000 3.474 252 T HA 0.025 4.379 4.350 0.008 0.000 0.270 252 T C 1.506 176.070 174.700 -0.226 0.000 1.079 252 T CA 0.054 62.010 62.100 -0.241 0.000 1.110 252 T CB 0.539 69.226 68.868 -0.302 0.000 1.087 252 T HN 0.267 nan 8.240 nan 0.000 0.784 253 S N 2.541 118.109 115.700 -0.220 0.000 2.427 253 S HA -0.218 4.257 4.470 0.008 0.000 0.261 253 S C 2.358 176.827 174.600 -0.219 0.000 1.091 253 S CA 1.806 59.873 58.200 -0.221 0.000 1.251 253 S CB -0.759 62.287 63.200 -0.256 0.000 1.160 253 S HN 0.630 nan 8.310 nan 0.000 0.436 254 V N 1.467 121.241 119.914 -0.233 0.000 2.313 254 V HA -0.267 3.857 4.120 0.008 0.000 0.261 254 V C 1.772 177.751 176.094 -0.191 0.000 1.096 254 V CA 2.348 64.523 62.300 -0.208 0.000 1.090 254 V CB -0.385 31.320 31.823 -0.196 0.000 0.683 254 V HN 0.537 nan 8.190 nan 0.000 0.452 255 L N -1.032 120.077 121.223 -0.189 0.000 2.529 255 L HA 0.172 4.517 4.340 0.008 0.000 0.223 255 L C 0.391 177.156 176.870 -0.174 0.000 1.113 255 L CA -0.063 54.667 54.840 -0.183 0.000 0.861 255 L CB 0.474 42.439 42.059 -0.158 0.000 1.012 255 L HN 0.133 nan 8.230 nan 0.000 0.461 256 V N 0.996 120.813 119.914 -0.163 0.000 2.357 256 V HA 0.272 4.397 4.120 0.008 0.000 0.284 256 V C 0.105 176.112 176.094 -0.144 0.000 1.018 256 V CA -0.814 61.400 62.300 -0.144 0.000 0.841 256 V CB 1.584 33.325 31.823 -0.137 0.000 0.991 256 V HN -0.015 nan 8.190 nan 0.000 0.437 257 K N 4.287 124.608 120.400 -0.131 0.000 2.234 257 K HA 0.549 4.874 4.320 0.008 0.000 0.282 257 K C -0.552 175.984 176.600 -0.107 0.000 1.039 257 K CA -0.379 55.835 56.287 -0.122 0.000 0.928 257 K CB 1.452 33.882 32.500 -0.116 0.000 1.039 257 K HN 0.597 nan 8.250 nan 0.000 0.470 258 K N 0.561 120.900 120.400 -0.101 0.000 2.375 258 K HA 0.665 4.989 4.320 0.008 0.000 0.249 258 K C -0.163 176.394 176.600 -0.072 0.000 0.942 258 K CA -0.590 55.644 56.287 -0.088 0.000 0.806 258 K CB 1.935 34.379 32.500 -0.093 0.000 1.227 258 K HN 0.799 nan 8.250 nan 0.000 0.430 259 G N 1.378 110.140 108.800 -0.063 0.000 2.582 259 G HA2 -0.201 3.764 3.960 0.008 0.000 0.222 259 G HA3 -0.201 3.764 3.960 0.008 0.000 0.222 259 G C -1.447 173.423 174.900 -0.050 0.000 1.311 259 G CA -0.698 44.372 45.100 -0.050 0.000 0.915 259 G HN 0.671 nan 8.290 nan 0.000 0.528 260 D N 0.545 120.922 120.400 -0.040 0.000 2.359 260 D HA 0.368 5.012 4.640 0.008 0.000 0.250 260 D C 1.836 178.108 176.300 -0.047 0.000 1.264 260 D CA 0.529 54.505 54.000 -0.040 0.000 0.911 260 D CB 0.798 41.582 40.800 -0.027 0.000 1.056 260 D HN 1.058 nan 8.370 nan 0.000 0.499 261 V N 2.166 122.041 119.914 -0.064 0.000 3.306 261 V HA -0.022 4.103 4.120 0.008 0.000 0.264 261 V C 2.241 178.284 176.094 -0.084 0.000 1.149 261 V CA 0.362 62.614 62.300 -0.080 0.000 1.143 261 V CB -0.639 31.117 31.823 -0.111 0.000 0.767 261 V HN 0.296 nan 8.190 nan 0.000 0.476 262 K N 2.183 122.542 120.400 -0.068 0.000 2.052 262 K HA -0.165 4.160 4.320 0.008 0.000 0.215 262 K C -0.124 176.452 176.600 -0.041 0.000 1.053 262 K CA 2.646 58.899 56.287 -0.058 0.000 0.934 262 K CB -1.784 30.697 32.500 -0.032 0.000 0.717 262 K HN 0.404 nan 8.250 nan 0.000 0.450 263 P HA -0.201 nan 4.420 nan 0.000 0.216 263 P C 1.476 178.777 177.300 0.001 0.000 1.157 263 P CA 1.379 64.476 63.100 -0.006 0.000 0.880 263 P CB -0.068 31.631 31.700 -0.003 0.000 0.791 264 L N -1.264 119.951 121.223 -0.014 0.000 2.083 264 L HA -0.193 4.152 4.340 0.008 0.000 0.209 264 L C 2.159 179.035 176.870 0.009 0.000 1.083 264 L CA 1.778 56.619 54.840 0.002 0.000 0.752 264 L CB -0.778 41.263 42.059 -0.030 0.000 0.899 264 L HN -0.050 nan 8.230 nan 0.000 0.433 265 A N -0.393 122.387 122.820 -0.067 0.000 1.902 265 A HA -0.233 4.092 4.320 0.008 0.000 0.217 265 A C 2.051 179.683 177.584 0.080 0.000 1.181 265 A CA 1.731 53.704 52.037 -0.106 0.000 0.623 265 A CB -0.452 18.375 19.000 -0.288 0.000 0.818 265 A HN 0.569 nan 8.150 nan 0.000 0.443 266 E N -0.867 119.360 120.200 0.045 0.000 2.107 266 E HA -0.211 4.143 4.350 0.008 0.000 0.191 266 E C 2.225 178.868 176.600 0.073 0.000 0.982 266 E CA 1.048 57.486 56.400 0.063 0.000 0.809 266 E CB -0.167 29.553 29.700 0.034 0.000 0.756 266 E HN 0.770 nan 8.360 nan 0.000 0.459 267 Q N 0.643 120.485 119.800 0.070 0.000 2.170 267 Q HA -0.168 4.177 4.340 0.008 0.000 0.203 267 Q C 2.117 178.174 176.000 0.095 0.000 0.976 267 Q CA 1.055 56.902 55.803 0.073 0.000 0.858 267 Q CB 0.053 28.836 28.738 0.075 0.000 0.907 267 Q HN 0.325 nan 8.270 nan 0.000 0.433 268 I N 0.005 120.661 120.570 0.144 0.000 2.333 268 I HA -0.179 3.995 4.170 0.008 0.000 0.246 268 I C 2.429 178.601 176.117 0.093 0.000 1.106 268 I CA 0.681 62.078 61.300 0.161 0.000 1.411 268 I CB -0.509 37.667 38.000 0.294 0.000 1.082 268 I HN 0.179 nan 8.210 nan 0.000 0.420 269 A N 1.949 124.839 122.820 0.116 0.000 1.851 269 A HA -0.202 4.123 4.320 0.008 0.000 0.216 269 A C 2.317 179.912 177.584 0.019 0.000 1.195 269 A CA 1.740 53.808 52.037 0.052 0.000 0.622 269 A CB -0.959 18.094 19.000 0.088 0.000 0.831 269 A HN 0.353 nan 8.150 nan 0.000 0.444 270 I N -0.447 120.141 120.570 0.030 0.000 2.118 270 I HA -0.274 3.901 4.170 0.008 0.000 0.241 270 I C 2.539 178.659 176.117 0.005 0.000 1.070 270 I CA 1.920 63.229 61.300 0.016 0.000 1.327 270 I CB -1.160 36.852 38.000 0.021 0.000 1.034 270 I HN 0.262 nan 8.210 nan 0.000 0.405 271 T N 0.771 115.331 114.554 0.009 0.000 2.802 271 T HA -0.203 4.152 4.350 0.008 0.000 0.269 271 T C 1.776 176.464 174.700 -0.020 0.000 1.062 271 T CA 1.587 63.684 62.100 -0.005 0.000 1.133 271 T CB -0.261 68.605 68.868 -0.002 0.000 0.852 271 T HN 0.559 nan 8.240 nan 0.000 0.485 272 A N 0.136 122.940 122.820 -0.027 0.000 2.147 272 A HA 0.546 4.871 4.320 0.008 0.000 0.211 272 A C 1.510 179.070 177.584 -0.040 0.000 1.160 272 A CA 0.634 52.643 52.037 -0.046 0.000 0.781 272 A CB -0.197 18.756 19.000 -0.078 0.000 0.842 272 A HN 0.837 nan 8.150 nan 0.000 0.475 273 G N -1.325 107.458 108.800 -0.027 0.000 2.742 273 G HA2 -0.084 3.880 3.960 0.008 0.000 0.257 273 G HA3 -0.084 3.880 3.960 0.008 0.000 0.257 273 G C -0.452 174.433 174.900 -0.025 0.000 1.143 273 G CA -0.257 44.829 45.100 -0.022 0.000 1.064 273 G HN 0.730 nan 8.290 nan 0.000 0.529 274 c N 0.950 119.539 118.600 -0.018 0.000 2.516 274 c HA 0.552 5.127 4.570 0.008 0.000 0.338 274 c C 0.723 174.813 174.090 0.001 0.000 1.132 274 c CA -1.352 54.967 56.329 -0.016 0.000 1.310 274 c CB 1.252 43.742 42.510 -0.034 0.000 1.898 274 c HN 0.766 nan 8.230 nan 0.000 0.452 275 K N 0.936 121.339 120.400 0.005 0.000 2.508 275 K HA 0.159 4.484 4.320 0.008 0.000 0.273 275 K C 1.239 177.849 176.600 0.017 0.000 0.964 275 K CA 0.638 56.931 56.287 0.011 0.000 0.948 275 K CB 0.339 32.846 32.500 0.012 0.000 0.917 275 K HN 0.861 nan 8.250 nan 0.000 0.512 276 T N -2.867 111.697 114.554 0.017 0.000 3.145 276 T HA 0.062 4.416 4.350 0.008 0.000 0.281 276 T C 1.144 175.853 174.700 0.015 0.000 1.003 276 T CA -0.139 61.974 62.100 0.022 0.000 0.901 276 T CB -0.007 68.876 68.868 0.025 0.000 1.112 276 T HN 0.455 nan 8.240 nan 0.000 0.535 277 T N 3.129 117.689 114.554 0.010 0.000 2.564 277 T HA -0.125 4.230 4.350 0.008 0.000 0.264 277 T C 1.105 175.805 174.700 0.000 0.000 1.100 277 T CA 2.312 64.414 62.100 0.004 0.000 1.171 277 T CB -0.789 68.078 68.868 -0.001 0.000 0.863 277 T HN 0.874 nan 8.240 nan 0.000 0.430 278 T N -1.848 112.701 114.554 -0.008 0.000 2.909 278 T HA 0.525 4.879 4.350 0.008 0.000 0.299 278 T C 0.960 175.645 174.700 -0.025 0.000 1.073 278 T CA -0.333 61.755 62.100 -0.019 0.000 0.999 278 T CB 2.081 70.921 68.868 -0.046 0.000 1.098 278 T HN -0.054 nan 8.240 nan 0.000 0.477 279 S N 1.393 117.088 115.700 -0.008 0.000 2.392 279 S HA -0.172 4.302 4.470 0.008 0.000 0.232 279 S C 2.465 177.037 174.600 -0.046 0.000 1.041 279 S CA 1.613 59.825 58.200 0.019 0.000 1.026 279 S CB -0.942 62.316 63.200 0.096 0.000 0.845 279 S HN 0.994 nan 8.310 nan 0.000 0.465 280 A N 1.389 124.051 122.820 -0.263 0.000 1.865 280 A HA -0.110 4.215 4.320 0.008 0.000 0.217 280 A C 2.396 179.924 177.584 -0.093 0.000 1.191 280 A CA 2.009 53.818 52.037 -0.379 0.000 0.623 280 A CB -1.115 17.542 19.000 -0.572 0.000 0.826 280 A HN 0.377 nan 8.150 nan 0.000 0.444 281 V N -0.434 119.447 119.914 -0.056 0.000 2.407 281 V HA -0.330 3.794 4.120 0.008 0.000 0.248 281 V C 2.553 178.691 176.094 0.072 0.000 1.055 281 V CA 2.200 64.521 62.300 0.036 0.000 1.049 281 V CB -0.848 30.987 31.823 0.019 0.000 0.662 281 V HN 0.580 nan 8.190 nan 0.000 0.455 282 M N -0.068 119.559 119.600 0.044 0.000 2.115 282 M HA -0.215 4.270 4.480 0.008 0.000 0.258 282 M C 2.237 178.558 176.300 0.034 0.000 1.071 282 M CA 2.223 57.556 55.300 0.055 0.000 1.100 282 M CB -0.365 32.296 32.600 0.102 0.000 1.292 282 M HN 0.264 nan 8.290 nan 0.000 0.415 283 V N -0.556 119.406 119.914 0.079 0.000 2.332 283 V HA -0.331 3.793 4.120 0.008 0.000 0.248 283 V C 2.242 178.372 176.094 0.060 0.000 1.055 283 V CA 2.457 64.785 62.300 0.045 0.000 1.038 283 V CB -1.298 30.612 31.823 0.145 0.000 0.651 283 V HN 0.573 nan 8.190 nan 0.000 0.450 284 H N -0.469 118.606 119.070 0.009 0.000 2.319 284 H HA -0.232 4.317 4.556 -0.012 0.000 0.299 284 H C 2.382 177.708 175.328 -0.003 0.000 1.092 284 H CA 2.342 58.395 56.048 0.008 0.000 1.302 284 H CB -0.739 29.017 29.762 -0.010 0.000 1.373 284 H HN 0.454 nan 8.280 nan 0.000 0.497 285 c N 0.067 118.575 118.600 -0.153 0.000 2.432 285 c HA -0.096 4.479 4.570 0.008 0.000 0.277 285 c C 2.840 176.824 174.090 -0.177 0.000 1.249 285 c CA 1.089 57.304 56.329 -0.190 0.000 1.725 285 c CB -1.484 40.982 42.510 -0.073 0.000 2.028 285 c HN 0.676 nan 8.230 nan 0.000 0.477 286 L N 0.416 121.548 121.223 -0.151 0.000 2.187 286 L HA -0.128 4.217 4.340 0.008 0.000 0.213 286 L C 2.936 179.778 176.870 -0.047 0.000 1.100 286 L CA 1.391 56.148 54.840 -0.138 0.000 0.765 286 L CB -0.685 41.189 42.059 -0.309 0.000 0.904 286 L HN 0.392 nan 8.230 nan 0.000 0.437 287 R N -0.387 120.090 120.500 -0.040 0.000 2.189 287 R HA -0.102 4.243 4.340 0.008 0.000 0.223 287 R C 1.962 178.172 176.300 -0.150 0.000 1.092 287 R CA 0.674 56.719 56.100 -0.091 0.000 0.989 287 R CB -0.116 30.141 30.300 -0.072 0.000 0.876 287 R HN 0.492 nan 8.270 nan 0.000 0.457 288 Q N 0.490 120.173 119.800 -0.196 0.000 2.432 288 Q HA 0.036 4.381 4.340 0.008 0.000 0.205 288 Q C 0.141 176.075 176.000 -0.111 0.000 0.945 288 Q CA 0.621 56.324 55.803 -0.167 0.000 0.924 288 Q CB 0.349 28.966 28.738 -0.202 0.000 1.016 288 Q HN 0.081 nan 8.270 nan 0.000 0.503 289 K N 1.666 122.001 120.400 -0.108 0.000 2.154 289 K HA 0.142 4.467 4.320 0.008 0.000 0.264 289 K C 0.680 177.247 176.600 -0.056 0.000 1.008 289 K CA 0.033 56.271 56.287 -0.082 0.000 0.937 289 K CB 0.758 33.198 32.500 -0.100 0.000 1.002 289 K HN 0.106 nan 8.250 nan 0.000 0.469 290 T N -3.039 111.501 114.554 -0.024 0.000 2.849 290 T HA 0.128 4.482 4.350 0.008 0.000 0.276 290 T C 1.271 176.015 174.700 0.073 0.000 0.971 290 T CA -0.494 61.614 62.100 0.013 0.000 0.949 290 T CB 1.185 70.060 68.868 0.012 0.000 1.093 290 T HN 0.621 nan 8.240 nan 0.000 0.545 291 E N -0.059 120.214 120.200 0.121 0.000 2.047 291 E HA -0.179 4.175 4.350 0.008 0.000 0.191 291 E C 1.848 178.575 176.600 0.211 0.000 0.987 291 E CA 1.163 57.710 56.400 0.246 0.000 0.799 291 E CB -0.100 29.677 29.700 0.128 0.000 0.752 291 E HN 0.689 nan 8.360 nan 0.000 0.449 292 E N 0.893 121.154 120.200 0.103 0.000 2.110 292 E HA -0.154 4.201 4.350 0.008 0.000 0.193 292 E C 1.766 178.405 176.600 0.065 0.000 0.988 292 E CA 1.060 57.505 56.400 0.075 0.000 0.804 292 E CB -0.062 29.659 29.700 0.035 0.000 0.745 292 E HN 0.353 nan 8.360 nan 0.000 0.458 293 E N -0.404 119.822 120.200 0.042 0.000 2.265 293 E HA -0.114 4.241 4.350 0.008 0.000 0.196 293 E C 1.547 178.146 176.600 -0.003 0.000 0.996 293 E CA 0.519 56.924 56.400 0.009 0.000 0.832 293 E CB 0.068 29.760 29.700 -0.014 0.000 0.756 293 E HN 0.270 nan 8.360 nan 0.000 0.491 294 L N -0.014 121.227 121.223 0.031 0.000 2.556 294 L HA 0.033 4.378 4.340 0.008 0.000 0.226 294 L C 1.898 178.827 176.870 0.098 0.000 1.089 294 L CA -0.131 54.678 54.840 -0.051 0.000 0.864 294 L CB 0.263 42.150 42.059 -0.287 0.000 1.067 294 L HN 0.143 nan 8.230 nan 0.000 0.477 295 L N -0.199 121.164 121.223 0.234 0.000 2.209 295 L HA -0.010 4.334 4.340 0.008 0.000 0.207 295 L C 2.122 179.054 176.870 0.103 0.000 1.094 295 L CA 1.693 56.684 54.840 0.252 0.000 0.790 295 L CB -0.188 41.990 42.059 0.199 0.000 0.932 295 L HN 0.121 nan 8.230 nan 0.000 0.447 296 E N -1.057 119.176 120.200 0.055 0.000 2.106 296 E HA -0.158 4.197 4.350 0.008 0.000 0.192 296 E C 1.860 178.449 176.600 -0.018 0.000 0.984 296 E CA 1.594 58.001 56.400 0.011 0.000 0.806 296 E CB -0.077 29.624 29.700 0.002 0.000 0.750 296 E HN 0.472 nan 8.360 nan 0.000 0.458 297 T N 0.230 114.770 114.554 -0.024 0.000 2.737 297 T HA -0.123 4.232 4.350 0.008 0.000 0.265 297 T C 1.975 176.611 174.700 -0.106 0.000 1.038 297 T CA 1.532 63.596 62.100 -0.060 0.000 1.144 297 T CB -0.366 68.466 68.868 -0.059 0.000 0.866 297 T HN 0.147 nan 8.240 nan 0.000 0.434 298 T N 2.226 116.750 114.554 -0.049 0.000 2.849 298 T HA 0.017 4.372 4.350 0.008 0.000 0.270 298 T C 1.827 176.417 174.700 -0.183 0.000 1.066 298 T CA 0.831 62.889 62.100 -0.070 0.000 1.130 298 T CB -0.344 68.619 68.868 0.160 0.000 0.864 298 T HN 0.266 nan 8.240 nan 0.000 0.481 299 L N 0.075 121.237 121.223 -0.101 0.000 2.071 299 L HA 0.048 4.393 4.340 0.008 0.000 0.201 299 L C 2.642 179.425 176.870 -0.146 0.000 1.076 299 L CA 1.137 55.919 54.840 -0.097 0.000 0.755 299 L CB -0.402 41.634 42.059 -0.039 0.000 0.915 299 L HN 0.070 nan 8.230 nan 0.000 0.445 300 K N -0.209 120.115 120.400 -0.127 0.000 2.074 300 K HA -0.175 4.150 4.320 0.008 0.000 0.209 300 K C 2.060 178.549 176.600 -0.184 0.000 1.048 300 K CA 1.316 57.531 56.287 -0.119 0.000 0.926 300 K CB -0.167 32.283 32.500 -0.084 0.000 0.713 300 K HN 0.200 nan 8.250 nan 0.000 0.444 301 M N 1.074 120.479 119.600 -0.325 0.000 2.446 301 M HA -0.080 4.404 4.480 0.008 0.000 0.263 301 M C -0.014 175.970 176.300 -0.526 0.000 1.066 301 M CA 0.974 55.974 55.300 -0.499 0.000 1.087 301 M CB -0.806 31.194 32.600 -0.999 0.000 1.406 301 M HN 0.081 nan 8.290 nan 0.000 0.459 302 K N 1.123 121.276 120.400 -0.411 0.000 5.230 302 K HA -0.183 4.141 4.320 0.008 0.000 0.331 302 K C -0.702 175.873 176.600 -0.041 0.000 0.863 302 K CA 0.360 56.535 56.287 -0.187 0.000 1.030 302 K CB -1.256 31.204 32.500 -0.066 0.000 1.845 302 K HN 0.215 nan 8.250 nan 0.000 0.404 303 F N 1.481 121.450 119.950 0.032 0.000 2.461 303 F HA 0.292 4.822 4.527 0.006 0.000 0.332 303 F C 1.856 177.670 175.800 0.023 0.000 1.073 303 F CA -1.387 56.631 58.000 0.030 0.000 1.017 303 F CB 0.623 39.648 39.000 0.042 0.000 1.301 303 F HN 0.149 nan 8.300 nan 0.000 0.492 304 L N 0.836 122.199 121.223 0.233 0.000 4.367 304 L HA -0.255 4.089 4.340 0.008 0.000 0.424 304 L C -0.825 176.103 176.870 0.096 0.000 1.152 304 L CA 0.757 55.669 54.840 0.121 0.000 0.974 304 L CB -2.120 40.002 42.059 0.104 0.000 2.012 304 L HN 0.621 nan 8.230 nan 0.000 0.922 305 S N 0.089 115.856 115.700 0.113 0.000 2.619 305 S HA 0.531 5.005 4.470 0.008 0.000 0.280 305 S C -0.269 174.384 174.600 0.089 0.000 1.150 305 S CA -0.632 57.622 58.200 0.089 0.000 0.978 305 S CB 2.568 65.807 63.200 0.064 0.000 1.041 305 S HN 0.148 nan 8.310 nan 0.000 0.485 306 L N 3.373 124.652 121.223 0.093 0.000 2.433 306 L HA 0.266 4.610 4.340 0.008 0.000 0.275 306 L C 0.027 176.917 176.870 0.032 0.000 1.128 306 L CA 0.210 55.092 54.840 0.070 0.000 0.875 306 L CB 0.158 42.269 42.059 0.088 0.000 1.171 306 L HN 0.537 nan 8.230 nan 0.000 0.463 307 D N 3.942 124.356 120.400 0.023 0.000 2.365 307 D HA 0.131 4.776 4.640 0.008 0.000 0.237 307 D C 1.132 177.426 176.300 -0.010 0.000 1.190 307 D CA -0.051 53.955 54.000 0.011 0.000 0.867 307 D CB 0.666 41.477 40.800 0.018 0.000 1.050 307 D HN 0.392 nan 8.370 nan 0.000 0.491 308 L N 2.499 123.714 121.223 -0.013 0.000 1.915 308 L HA -0.193 4.152 4.340 0.008 0.000 0.225 308 L C 1.492 178.357 176.870 -0.009 0.000 1.084 308 L CA 1.109 55.937 54.840 -0.019 0.000 0.788 308 L CB -0.888 41.162 42.059 -0.015 0.000 0.892 308 L HN 0.492 nan 8.230 nan 0.000 0.434 309 Q N 1.688 121.490 119.800 0.003 0.000 2.311 309 Q HA 0.400 4.744 4.340 0.008 0.000 0.272 309 Q C -0.052 175.954 176.000 0.010 0.000 1.012 309 Q CA 0.635 56.445 55.803 0.012 0.000 0.891 309 Q CB 0.959 29.706 28.738 0.014 0.000 1.201 309 Q HN 0.462 nan 8.270 nan 0.000 0.391 310 G N 2.107 110.917 108.800 0.018 0.000 2.535 310 G HA2 -0.124 3.840 3.960 0.008 0.000 0.662 310 G HA3 -0.124 3.840 3.960 0.008 0.000 0.662 310 G C -1.297 173.608 174.900 0.009 0.000 1.417 310 G CA -0.688 44.422 45.100 0.015 0.000 0.866 310 G HN 0.745 nan 8.290 nan 0.000 0.647 311 D N 2.205 122.618 120.400 0.021 0.000 2.502 311 D HA 0.128 4.773 4.640 0.008 0.000 0.249 311 D C -0.591 175.669 176.300 -0.067 0.000 1.188 311 D CA -0.705 53.308 54.000 0.022 0.000 0.890 311 D CB 1.354 42.178 40.800 0.039 0.000 1.140 311 D HN 0.035 nan 8.370 nan 0.000 0.505 312 P HA -0.161 nan 4.420 nan 0.000 0.216 312 P C 1.152 178.324 177.300 -0.213 0.000 1.153 312 P CA 1.305 64.191 63.100 -0.356 0.000 0.858 312 P CB 0.202 31.337 31.700 -0.942 0.000 0.789 313 R N -0.210 120.122 120.500 -0.280 0.000 2.127 313 R HA -0.147 4.197 4.340 0.008 0.000 0.238 313 R C 2.155 178.470 176.300 0.025 0.000 1.134 313 R CA 1.311 57.342 56.100 -0.114 0.000 0.975 313 R CB -0.602 29.594 30.300 -0.173 0.000 0.865 313 R HN 0.424 nan 8.270 nan 0.000 0.447 314 E N 0.492 120.690 120.200 -0.003 0.000 2.076 314 E HA 0.005 4.359 4.350 0.008 0.000 0.190 314 E C 0.256 176.874 176.600 0.030 0.000 0.979 314 E CA 0.201 56.612 56.400 0.019 0.000 0.807 314 E CB 0.062 29.771 29.700 0.015 0.000 0.761 314 E HN 0.047 nan 8.360 nan 0.000 0.454 315 S N 2.937 118.650 115.700 0.020 0.000 2.784 315 S HA -0.082 4.393 4.470 0.008 0.000 0.322 315 S C 0.248 174.877 174.600 0.048 0.000 1.234 315 S CA 0.132 58.353 58.200 0.036 0.000 1.064 315 S CB 0.105 63.315 63.200 0.016 0.000 0.787 315 S HN 0.170 nan 8.310 nan 0.000 0.506 316 Q N 5.310 125.160 119.800 0.082 0.000 2.314 316 Q HA 0.225 4.570 4.340 0.008 0.000 0.257 316 Q C -2.074 173.953 176.000 0.046 0.000 0.975 316 Q CA -1.913 53.929 55.803 0.064 0.000 0.933 316 Q CB 0.604 29.428 28.738 0.144 0.000 1.195 316 Q HN 0.324 nan 8.270 nan 0.000 0.426 317 P HA -0.060 nan 4.420 nan 0.000 0.212 317 P C -0.034 177.142 177.300 -0.206 0.000 1.180 317 P CA 0.958 64.012 63.100 -0.078 0.000 0.902 317 P CB 0.267 31.900 31.700 -0.111 0.000 0.778 318 L N -4.871 116.119 121.223 -0.388 0.000 2.866 318 L HA 0.398 4.742 4.340 0.008 0.000 0.262 318 L C -0.941 175.621 176.870 -0.513 0.000 0.986 318 L CA -1.097 53.357 54.840 -0.643 0.000 0.925 318 L CB 0.377 42.225 42.059 -0.350 0.000 1.484 318 L HN -0.259 nan 8.230 nan 0.000 0.414 319 L N 1.397 122.309 121.223 -0.518 0.000 2.360 319 L HA 0.832 5.177 4.340 0.008 0.000 0.276 319 L C 0.805 177.513 176.870 -0.270 0.000 1.121 319 L CA 0.407 55.111 54.840 -0.227 0.000 0.845 319 L CB 0.252 42.316 42.059 0.009 0.000 1.143 319 L HN 0.996 nan 8.230 nan 0.000 0.452 320 G N 1.208 109.847 108.800 -0.267 0.000 2.782 320 G HA2 0.387 4.351 3.960 0.008 0.000 0.304 320 G HA3 0.387 4.351 3.960 0.008 0.000 0.304 320 G C -0.887 173.894 174.900 -0.199 0.000 1.315 320 G CA -0.594 44.183 45.100 -0.538 0.000 0.791 320 G HN 0.374 nan 8.290 nan 0.000 0.519 321 T N 0.486 114.963 114.554 -0.129 0.000 2.867 321 T HA 0.352 4.707 4.350 0.008 0.000 0.290 321 T C 0.666 175.367 174.700 0.001 0.000 1.025 321 T CA 0.878 63.053 62.100 0.126 0.000 1.146 321 T CB 0.280 69.172 68.868 0.040 0.000 1.024 321 T HN 1.450 nan 8.240 nan 0.000 0.519 322 V N 0.382 120.296 119.914 0.000 0.000 3.156 322 V HA 0.668 4.792 4.120 0.008 0.000 0.311 322 V C -0.736 175.303 176.094 -0.093 0.000 1.208 322 V CA -1.382 60.880 62.300 -0.064 0.000 1.063 322 V CB 2.000 33.781 31.823 -0.071 0.000 1.098 322 V HN 0.609 nan 8.190 nan 0.000 0.452 323 I N 3.038 123.550 120.570 -0.097 0.000 2.310 323 I HA 0.352 4.527 4.170 0.008 0.000 0.287 323 I C 0.292 176.348 176.117 -0.100 0.000 1.073 323 I CA 0.066 61.306 61.300 -0.100 0.000 1.216 323 I CB 0.427 38.373 38.000 -0.090 0.000 1.415 323 I HN 0.975 nan 8.210 nan 0.000 0.480 324 D N 3.548 123.880 120.400 -0.114 0.000 2.349 324 D HA 0.060 4.705 4.640 0.008 0.000 0.214 324 D C 1.346 177.593 176.300 -0.088 0.000 1.063 324 D CA 0.534 54.463 54.000 -0.118 0.000 0.847 324 D CB 0.588 41.283 40.800 -0.175 0.000 0.933 324 D HN 0.703 nan 8.370 nan 0.000 0.513 325 G N 0.196 108.949 108.800 -0.078 0.000 2.162 325 G HA2 -0.327 3.637 3.960 0.008 0.000 0.260 325 G HA3 -0.327 3.637 3.960 0.008 0.000 0.260 325 G C 0.811 175.682 174.900 -0.048 0.000 0.976 325 G CA 0.906 45.971 45.100 -0.059 0.000 0.655 325 G HN 0.323 nan 8.290 nan 0.000 0.533 326 M N -1.276 118.291 119.600 -0.056 0.000 3.207 326 M HA 0.392 4.877 4.480 0.008 0.000 0.202 326 M C 2.350 178.628 176.300 -0.037 0.000 1.730 326 M CA 0.654 55.932 55.300 -0.037 0.000 1.461 326 M CB -1.016 31.562 32.600 -0.036 0.000 1.013 326 M HN 0.165 nan 8.290 nan 0.000 0.592 327 L N 0.714 121.903 121.223 -0.057 0.000 2.131 327 L HA 0.059 4.404 4.340 0.008 0.000 0.210 327 L C 0.160 176.985 176.870 -0.074 0.000 1.092 327 L CA 1.043 55.850 54.840 -0.055 0.000 0.759 327 L CB 0.350 42.364 42.059 -0.075 0.000 0.903 327 L HN 0.202 nan 8.230 nan 0.000 0.435 328 L N -0.197 120.970 121.223 -0.093 0.000 2.504 328 L HA 0.161 4.505 4.340 0.008 0.000 0.265 328 L C 0.288 177.102 176.870 -0.094 0.000 0.975 328 L CA -0.453 54.323 54.840 -0.106 0.000 0.864 328 L CB 1.966 43.943 42.059 -0.136 0.000 1.212 328 L HN 0.049 nan 8.230 nan 0.000 0.416 329 L N 2.554 123.726 121.223 -0.085 0.000 2.217 329 L HA 0.035 4.379 4.340 0.008 0.000 0.211 329 L C 0.743 177.565 176.870 -0.080 0.000 1.107 329 L CA 1.515 56.310 54.840 -0.073 0.000 0.783 329 L CB -0.069 41.952 42.059 -0.062 0.000 0.919 329 L HN 0.519 nan 8.230 nan 0.000 0.442 330 K N -1.961 118.382 120.400 -0.095 0.000 2.283 330 K HA 0.394 4.718 4.320 0.008 0.000 0.257 330 K C -0.304 176.236 176.600 -0.099 0.000 1.066 330 K CA -0.599 55.634 56.287 -0.090 0.000 0.891 330 K CB 1.349 33.796 32.500 -0.089 0.000 1.438 330 K HN -0.166 nan 8.250 nan 0.000 0.464 331 T N -1.741 112.758 114.554 -0.091 0.000 2.788 331 T HA 0.148 4.503 4.350 0.008 0.000 0.287 331 T C -2.087 172.554 174.700 -0.098 0.000 1.007 331 T CA -1.252 60.791 62.100 -0.095 0.000 1.005 331 T CB 0.829 69.645 68.868 -0.086 0.000 1.012 331 T HN 0.148 nan 8.240 nan 0.000 0.530 332 P HA 0.010 nan 4.420 nan 0.000 0.217 332 P C 0.919 178.177 177.300 -0.071 0.000 1.151 332 P CA 0.774 63.821 63.100 -0.090 0.000 0.828 332 P CB -0.048 31.598 31.700 -0.090 0.000 0.788 333 E N -0.602 119.557 120.200 -0.068 0.000 2.533 333 E HA -0.111 4.243 4.350 0.008 0.000 0.201 333 E C 1.397 177.968 176.600 -0.048 0.000 1.097 333 E CA 0.741 57.109 56.400 -0.052 0.000 0.887 333 E CB -0.567 29.100 29.700 -0.055 0.000 0.855 333 E HN 0.465 nan 8.360 nan 0.000 0.540 334 E N -0.494 119.669 120.200 -0.061 0.000 2.279 334 E HA 0.152 4.507 4.350 0.008 0.000 0.199 334 E C 1.718 178.275 176.600 -0.072 0.000 0.893 334 E CA -0.107 56.257 56.400 -0.061 0.000 0.978 334 E CB 0.005 29.664 29.700 -0.067 0.000 0.964 334 E HN 0.151 nan 8.360 nan 0.000 0.486 335 L N 1.715 122.879 121.223 -0.099 0.000 2.261 335 L HA -0.195 4.150 4.340 0.008 0.000 0.216 335 L C 2.277 179.084 176.870 -0.104 0.000 1.114 335 L CA 1.072 55.827 54.840 -0.140 0.000 0.777 335 L CB -0.280 41.659 42.059 -0.201 0.000 0.910 335 L HN 0.164 nan 8.230 nan 0.000 0.440 336 Q N -0.573 119.193 119.800 -0.056 0.000 2.369 336 Q HA -0.066 4.279 4.340 0.008 0.000 0.206 336 Q C 2.283 178.280 176.000 -0.005 0.000 0.963 336 Q CA 1.047 56.842 55.803 -0.013 0.000 0.894 336 Q CB 0.022 28.765 28.738 0.008 0.000 0.965 336 Q HN 0.558 nan 8.270 nan 0.000 0.475 337 A N 1.450 124.258 122.820 -0.019 0.000 2.021 337 A HA -0.080 4.245 4.320 0.008 0.000 0.216 337 A C 1.121 178.699 177.584 -0.010 0.000 1.163 337 A CA 0.182 52.213 52.037 -0.010 0.000 0.676 337 A CB -0.026 18.965 19.000 -0.015 0.000 0.818 337 A HN 0.290 nan 8.150 nan 0.000 0.453 338 E N -0.162 120.024 120.200 -0.023 0.000 2.313 338 E HA 0.267 4.621 4.350 0.008 0.000 0.276 338 E C 0.114 176.722 176.600 0.014 0.000 1.031 338 E CA -0.416 55.977 56.400 -0.013 0.000 0.857 338 E CB 0.839 30.517 29.700 -0.037 0.000 1.040 338 E HN 0.270 nan 8.360 nan 0.000 0.408 339 R N 2.246 122.764 120.500 0.030 0.000 2.146 339 R HA 0.073 4.418 4.340 0.008 0.000 0.206 339 R C 0.079 176.432 176.300 0.089 0.000 1.049 339 R CA 0.342 56.471 56.100 0.047 0.000 1.029 339 R CB -0.031 30.282 30.300 0.022 0.000 0.949 339 R HN 0.537 nan 8.270 nan 0.000 0.471 340 N N 1.299 120.049 118.700 0.083 0.000 2.380 340 N HA 0.059 4.804 4.740 0.008 0.000 0.292 340 N C -1.025 174.633 175.510 0.246 0.000 1.302 340 N CA 0.683 53.799 53.050 0.109 0.000 1.007 340 N CB -0.115 38.419 38.487 0.079 0.000 1.408 340 N HN 0.031 nan 8.380 nan 0.000 0.487 341 F N -0.293 119.656 119.950 -0.002 0.000 3.194 341 F HA 0.236 4.767 4.527 0.007 0.000 0.327 341 F C -1.126 174.688 175.800 0.023 0.000 1.141 341 F CA -1.197 56.815 58.000 0.020 0.000 0.862 341 F CB 0.862 39.877 39.000 0.025 0.000 1.447 341 F HN 0.281 nan 8.300 nan 0.000 0.479 342 H N 1.003 119.561 119.070 -0.853 0.000 2.562 342 H HA 0.570 5.131 4.556 0.008 0.000 0.314 342 H C -0.573 174.624 175.328 -0.220 0.000 1.079 342 H CA 0.589 56.314 56.048 -0.538 0.000 1.349 342 H CB 0.952 30.287 29.762 -0.712 0.000 1.432 342 H HN 0.616 nan 8.280 nan 0.000 0.479 343 T N 2.543 116.908 114.554 -0.314 0.000 2.885 343 T HA 0.626 4.980 4.350 0.008 0.000 0.285 343 T C -0.505 174.142 174.700 -0.087 0.000 1.019 343 T CA -0.540 61.513 62.100 -0.079 0.000 1.010 343 T CB 1.298 70.107 68.868 -0.098 0.000 1.022 343 T HN 0.505 nan 8.240 nan 0.000 0.466 344 V N -1.766 118.226 119.914 0.131 0.000 3.147 344 V HA 0.738 4.862 4.120 0.008 0.000 0.306 344 V C -3.299 172.975 176.094 0.300 0.000 1.209 344 V CA -3.169 59.210 62.300 0.131 0.000 1.023 344 V CB 1.409 33.291 31.823 0.098 0.000 1.059 344 V HN 0.687 nan 8.190 nan 0.000 0.435 345 P HA 0.097 nan 4.420 nan 0.000 0.261 345 P C -1.402 176.223 177.300 0.542 0.000 1.173 345 P CA 0.761 64.063 63.100 0.335 0.000 0.760 345 P CB -0.186 31.534 31.700 0.034 0.000 0.783 346 Y N 4.012 124.533 120.300 0.369 0.000 2.327 346 Y HA 0.439 4.993 4.550 0.008 0.000 0.325 346 Y C -0.480 175.405 175.900 -0.024 0.000 0.999 346 Y CA -1.468 56.666 58.100 0.057 0.000 1.195 346 Y CB 1.188 39.238 38.460 -0.685 0.000 1.132 346 Y HN 0.224 nan 8.280 nan 0.000 0.455 347 M N 7.905 127.463 119.600 -0.069 0.000 2.113 347 M HA 0.536 5.021 4.480 0.008 0.000 0.352 347 M C -2.017 173.988 176.300 -0.492 0.000 1.170 347 M CA -0.510 54.469 55.300 -0.534 0.000 1.053 347 M CB 0.553 32.421 32.600 -1.221 0.000 1.601 347 M HN 0.425 nan 8.290 nan 0.000 0.459 348 V N 4.665 124.257 119.914 -0.537 0.000 2.531 348 V HA 0.888 5.012 4.120 0.008 0.000 0.301 348 V C 0.182 175.944 176.094 -0.554 0.000 1.034 348 V CA -0.653 61.315 62.300 -0.554 0.000 0.865 348 V CB 1.410 32.811 31.823 -0.703 0.000 0.995 348 V HN 1.007 nan 8.190 nan 0.000 0.424 349 G N 3.514 111.874 108.800 -0.733 0.000 2.694 349 G HA2 0.901 4.866 3.960 0.008 0.000 0.290 349 G HA3 0.901 4.866 3.960 0.008 0.000 0.290 349 G C -1.119 173.374 174.900 -0.679 0.000 1.386 349 G CA -0.672 43.641 45.100 -1.312 0.000 0.872 349 G HN 0.905 nan 8.290 nan 0.000 0.475 350 I N -2.629 117.709 120.570 -0.387 0.000 3.457 350 I HA 0.659 4.834 4.170 0.008 0.000 0.307 350 I C -0.898 175.330 176.117 0.185 0.000 1.138 350 I CA -1.478 59.803 61.300 -0.031 0.000 0.974 350 I CB 2.346 40.333 38.000 -0.020 0.000 1.324 350 I HN 0.444 nan 8.210 nan 0.000 0.485 351 N N 0.432 119.223 118.700 0.152 0.000 2.292 351 N HA 0.275 5.020 4.740 0.008 0.000 0.303 351 N C -0.142 175.475 175.510 0.178 0.000 1.140 351 N CA -0.816 52.376 53.050 0.237 0.000 0.788 351 N CB 2.566 41.170 38.487 0.195 0.000 1.361 351 N HN 0.505 nan 8.380 nan 0.000 0.489 352 K N 0.849 121.374 120.400 0.207 0.000 2.000 352 K HA -0.178 4.146 4.320 0.008 0.000 0.218 352 K C -0.034 176.649 176.600 0.138 0.000 1.053 352 K CA 1.922 58.305 56.287 0.160 0.000 0.946 352 K CB 0.065 32.657 32.500 0.154 0.000 0.723 352 K HN 0.520 nan 8.250 nan 0.000 0.446 353 Q N 0.374 120.262 119.800 0.146 0.000 2.571 353 Q HA 0.125 4.470 4.340 0.008 0.000 0.243 353 Q C -0.097 175.978 176.000 0.125 0.000 1.055 353 Q CA -0.392 55.493 55.803 0.137 0.000 0.815 353 Q CB 1.652 30.476 28.738 0.144 0.000 1.151 353 Q HN 0.185 nan 8.270 nan 0.000 0.519 354 E N 0.759 121.005 120.200 0.078 0.000 2.072 354 E HA -0.146 4.209 4.350 0.008 0.000 0.191 354 E C 0.320 176.938 176.600 0.030 0.000 0.985 354 E CA 1.102 57.499 56.400 -0.005 0.000 0.801 354 E CB 0.164 29.707 29.700 -0.260 0.000 0.750 354 E HN 0.474 nan 8.360 nan 0.000 0.452 355 F N 1.155 121.059 119.950 -0.078 0.000 2.974 355 F HA 0.245 4.777 4.527 0.007 0.000 0.292 355 F C 1.497 177.281 175.800 -0.026 0.000 1.209 355 F CA -0.393 57.544 58.000 -0.105 0.000 1.366 355 F CB 0.174 39.078 39.000 -0.160 0.000 1.033 355 F HN -0.090 nan 8.300 nan 0.000 0.516 356 G N 0.355 109.200 108.800 0.075 0.000 2.496 356 G HA2 -0.264 3.701 3.960 0.008 0.000 0.214 356 G HA3 -0.264 3.701 3.960 0.008 0.000 0.214 356 G C 1.013 176.004 174.900 0.152 0.000 1.234 356 G CA 1.104 46.287 45.100 0.139 0.000 0.807 356 G HN 0.609 nan 8.290 nan 0.000 0.543 357 W N -0.821 120.438 121.300 -0.069 0.000 4.634 357 W HA 0.391 5.056 4.660 0.008 0.000 0.188 357 W C 1.774 178.224 176.519 -0.114 0.000 1.087 357 W CA 0.108 57.409 57.345 -0.075 0.000 1.788 357 W CB -0.497 28.960 29.460 -0.005 0.000 0.651 357 W HN 0.134 nan 8.180 nan 0.000 0.982 358 L N 2.106 123.102 121.223 -0.380 0.000 1.952 358 L HA -0.266 4.079 4.340 0.008 0.000 0.236 358 L C 2.315 178.804 176.870 -0.634 0.000 1.092 358 L CA 3.168 57.647 54.840 -0.602 0.000 0.817 358 L CB -1.442 40.557 42.059 -0.101 0.000 0.907 358 L HN 0.190 nan 8.230 nan 0.000 0.438 359 I N -0.564 119.708 120.570 -0.497 0.000 2.103 359 I HA -0.371 3.803 4.170 0.008 0.000 0.241 359 I C -0.245 175.522 176.117 -0.584 0.000 1.036 359 I CA 2.317 63.304 61.300 -0.521 0.000 1.300 359 I CB -1.969 35.671 38.000 -0.601 0.000 1.010 359 I HN 0.368 nan 8.210 nan 0.000 0.406 360 P HA -0.209 nan 4.420 nan 0.000 0.215 360 P C 1.171 178.301 177.300 -0.282 0.000 1.163 360 P CA 1.326 64.092 63.100 -0.556 0.000 0.894 360 P CB -0.112 31.256 31.700 -0.554 0.000 0.791 364 M N 1.157 120.721 119.600 -0.060 0.000 2.706 364 M HA 0.007 4.491 4.480 0.008 0.000 0.251 364 M C 0.199 176.552 176.300 0.089 0.000 1.070 364 M CA 0.621 55.946 55.300 0.042 0.000 1.073 364 M CB -0.323 32.342 32.600 0.108 0.000 1.449 364 M HN 0.369 nan 8.290 nan 0.000 0.531 365 S N -0.050 115.682 115.700 0.053 0.000 3.608 365 S HA -0.190 4.285 4.470 0.008 0.000 0.382 365 S C -0.384 174.304 174.600 0.147 0.000 0.945 365 S CA 0.165 58.411 58.200 0.077 0.000 1.256 365 S CB -1.946 61.283 63.200 0.050 0.000 0.913 365 S HN 0.482 nan 8.310 nan 0.000 0.518 366 Y N 1.841 122.166 120.300 0.042 0.000 2.442 366 Y HA 0.318 4.872 4.550 0.007 0.000 0.330 366 Y C -1.875 174.096 175.900 0.119 0.000 1.129 366 Y CA -1.522 56.648 58.100 0.117 0.000 1.365 366 Y CB 0.449 39.021 38.460 0.187 0.000 1.233 366 Y HN 0.112 nan 8.280 nan 0.000 0.529 367 P HA 0.135 nan 4.420 nan 0.000 0.259 367 P C -0.335 177.017 177.300 0.086 0.000 1.635 367 P CA 0.792 63.889 63.100 -0.005 0.000 1.199 367 P CB -0.117 31.521 31.700 -0.102 0.000 1.850 368 L N 0.672 121.989 121.223 0.156 0.000 3.520 368 L HA 0.028 4.373 4.340 0.008 0.000 0.323 368 L C 1.686 178.636 176.870 0.134 0.000 1.246 368 L CA 0.197 55.144 54.840 0.179 0.000 1.085 368 L CB 0.139 42.372 42.059 0.289 0.000 1.477 368 L HN 0.148 nan 8.230 nan 0.000 0.624 369 S N -0.686 115.078 115.700 0.108 0.000 2.465 369 S HA -0.158 4.317 4.470 0.008 0.000 0.241 369 S C 1.500 176.141 174.600 0.068 0.000 1.000 369 S CA 0.906 59.158 58.200 0.088 0.000 0.964 369 S CB -0.140 63.103 63.200 0.072 0.000 0.763 369 S HN 0.373 nan 8.310 nan 0.000 0.512 370 E N 1.359 121.595 120.200 0.060 0.000 2.153 370 E HA 0.090 4.445 4.350 0.008 0.000 0.194 370 E C 1.880 178.509 176.600 0.048 0.000 0.988 370 E CA 1.075 57.501 56.400 0.045 0.000 0.811 370 E CB -0.770 28.950 29.700 0.032 0.000 0.746 370 E HN 0.693 nan 8.360 nan 0.000 0.466 371 G N 0.688 109.527 108.800 0.064 0.000 3.102 371 G HA2 -0.231 3.733 3.960 0.008 0.000 0.200 371 G HA3 -0.231 3.733 3.960 0.008 0.000 0.200 371 G C 0.271 175.213 174.900 0.069 0.000 1.685 371 G CA 0.112 45.251 45.100 0.065 0.000 1.299 371 G HN 0.379 nan 8.290 nan 0.000 0.576 372 Q N -0.061 119.770 119.800 0.052 0.000 2.576 372 Q HA 0.913 5.258 4.340 0.008 0.000 0.249 372 Q C -1.023 174.993 176.000 0.026 0.000 1.041 372 Q CA -1.006 54.826 55.803 0.048 0.000 0.928 372 Q CB 2.411 31.171 28.738 0.038 0.000 1.302 372 Q HN 0.690 nan 8.270 nan 0.000 0.504 373 L N 0.794 122.023 121.223 0.010 0.000 2.465 373 L HA 0.434 4.778 4.340 0.008 0.000 0.257 373 L C -1.824 175.026 176.870 -0.032 0.000 0.988 373 L CA -0.250 54.566 54.840 -0.041 0.000 0.827 373 L CB 2.438 44.428 42.059 -0.115 0.000 1.397 373 L HN 0.945 nan 8.230 nan 0.000 0.410 374 D N 1.827 122.199 120.400 -0.047 0.000 2.374 374 D HA 0.208 4.853 4.640 0.008 0.000 0.239 374 D C -0.182 176.101 176.300 -0.027 0.000 0.991 374 D CA -0.533 53.454 54.000 -0.022 0.000 0.960 374 D CB 1.399 42.192 40.800 -0.011 0.000 1.284 374 D HN 0.429 nan 8.370 nan 0.000 0.512 375 Q N 0.190 119.990 119.800 0.001 0.000 2.217 375 Q HA -0.176 4.168 4.340 0.008 0.000 0.209 375 Q C 1.552 177.559 176.000 0.010 0.000 0.988 375 Q CA 1.491 57.304 55.803 0.016 0.000 0.878 375 Q CB -0.102 28.652 28.738 0.027 0.000 0.909 375 Q HN 0.473 nan 8.270 nan 0.000 0.424 376 K N -0.142 120.258 120.400 0.000 0.000 1.995 376 K HA 0.015 4.340 4.320 0.008 0.000 0.207 376 K C 2.265 178.861 176.600 -0.007 0.000 1.041 376 K CA 1.126 57.415 56.287 0.003 0.000 0.942 376 K CB -0.728 31.773 32.500 0.002 0.000 0.731 376 K HN 0.141 nan 8.250 nan 0.000 0.439 377 T N 2.173 116.711 114.554 -0.028 0.000 2.685 377 T HA -0.208 4.147 4.350 0.008 0.000 0.268 377 T C 1.957 176.605 174.700 -0.087 0.000 1.034 377 T CA 1.782 63.854 62.100 -0.047 0.000 1.149 377 T CB -0.342 68.489 68.868 -0.062 0.000 0.860 377 T HN 0.365 nan 8.240 nan 0.000 0.449 378 A N 2.104 124.834 122.820 -0.151 0.000 1.851 378 A HA -0.144 4.180 4.320 0.008 0.000 0.216 378 A C 2.354 179.926 177.584 -0.020 0.000 1.195 378 A CA 1.930 53.798 52.037 -0.281 0.000 0.622 378 A CB -0.858 17.977 19.000 -0.275 0.000 0.831 378 A HN 0.417 nan 8.150 nan 0.000 0.444 379 M N -0.271 119.366 119.600 0.062 0.000 2.153 379 M HA -0.242 4.243 4.480 0.008 0.000 0.253 379 M C 2.472 178.890 176.300 0.197 0.000 1.081 379 M CA 2.048 57.432 55.300 0.141 0.000 1.076 379 M CB -0.962 31.690 32.600 0.087 0.000 1.350 379 M HN 0.635 nan 8.290 nan 0.000 0.401 380 S N 0.582 116.368 115.700 0.143 0.000 2.338 380 S HA -0.088 4.386 4.470 0.008 0.000 0.218 380 S C 1.831 176.571 174.600 0.234 0.000 1.032 380 S CA 0.968 59.284 58.200 0.193 0.000 0.999 380 S CB -0.196 63.066 63.200 0.104 0.000 0.905 380 S HN 0.405 nan 8.310 nan 0.000 0.439 381 L N 0.915 122.229 121.223 0.151 0.000 1.956 381 L HA -0.151 4.194 4.340 0.008 0.000 0.216 381 L C 2.585 179.663 176.870 0.347 0.000 1.073 381 L CA 1.675 56.630 54.840 0.192 0.000 0.762 381 L CB -0.747 41.426 42.059 0.191 0.000 0.889 381 L HN 0.382 nan 8.230 nan 0.000 0.433 382 L N -0.347 121.193 121.223 0.529 0.000 2.085 382 L HA -0.325 4.019 4.340 0.008 0.000 0.218 382 L C 2.194 179.297 176.870 0.388 0.000 1.080 382 L CA 2.077 57.192 54.840 0.458 0.000 0.776 382 L CB -0.711 41.639 42.059 0.485 0.000 0.891 382 L HN 0.439 nan 8.230 nan 0.000 0.437 383 W N 0.643 122.062 121.300 0.198 0.000 2.381 383 W HA -0.245 4.420 4.660 0.008 0.000 0.321 383 W C 2.182 178.797 176.519 0.160 0.000 1.196 383 W CA 1.485 58.926 57.345 0.160 0.000 1.304 383 W CB -0.187 29.330 29.460 0.096 0.000 1.166 383 W HN 0.064 nan 8.180 nan 0.000 0.473 384 K N 0.644 120.958 120.400 -0.143 0.000 2.442 384 K HA -0.101 4.224 4.320 0.008 0.000 0.199 384 K C 1.541 178.062 176.600 -0.132 0.000 1.044 384 K CA 1.291 57.412 56.287 -0.277 0.000 0.941 384 K CB -0.195 32.249 32.500 -0.093 0.000 0.759 384 K HN -0.031 nan 8.250 nan 0.000 0.472 385 S N 0.232 115.934 115.700 0.003 0.000 2.660 385 S HA 0.007 4.481 4.470 0.008 0.000 0.227 385 S C 0.866 175.481 174.600 0.024 0.000 0.948 385 S CA -0.381 57.864 58.200 0.075 0.000 0.948 385 S CB -0.209 63.093 63.200 0.170 0.000 0.779 385 S HN 0.317 nan 8.310 nan 0.000 0.487 386 Y N 4.040 124.214 120.300 -0.211 0.000 2.151 386 Y HA -0.123 4.431 4.550 0.007 0.000 0.284 386 Y C -0.824 174.988 175.900 -0.147 0.000 1.166 386 Y CA 1.464 59.434 58.100 -0.218 0.000 1.163 386 Y CB -1.047 37.139 38.460 -0.457 0.000 0.974 386 Y HN 0.258 nan 8.280 nan 0.000 0.511 387 P HA -0.125 nan 4.420 nan 0.000 0.231 387 P C 0.900 178.108 177.300 -0.154 0.000 1.158 387 P CA 1.500 64.528 63.100 -0.121 0.000 0.763 387 P CB 0.019 31.700 31.700 -0.032 0.000 0.805 388 L N -1.006 120.132 121.223 -0.142 0.000 2.519 388 L HA 0.064 4.409 4.340 0.008 0.000 0.194 388 L C 2.505 179.255 176.870 -0.199 0.000 1.072 388 L CA 0.489 55.246 54.840 -0.137 0.000 0.845 388 L CB -0.560 41.465 42.059 -0.056 0.000 1.138 388 L HN -0.225 nan 8.230 nan 0.000 0.487 389 V N -3.897 115.909 119.914 -0.181 0.000 3.174 389 V HA 0.082 4.206 4.120 0.008 0.000 0.254 389 V C 1.248 177.247 176.094 -0.159 0.000 1.120 389 V CA -0.335 61.872 62.300 -0.157 0.000 1.114 389 V CB -0.142 31.619 31.823 -0.103 0.000 0.756 389 V HN 0.588 nan 8.190 nan 0.000 0.467 390 C N 1.229 120.321 119.300 -0.346 0.000 3.690 390 C HA -0.174 4.290 4.460 0.008 0.000 0.295 390 C C 0.087 174.980 174.990 -0.162 0.000 1.283 390 C CA 0.041 58.629 59.018 -0.717 0.000 2.212 390 C CB -2.584 24.745 27.740 -0.685 0.000 1.407 390 C HN 0.619 nan 8.230 nan 0.000 0.595 391 I N 3.378 124.122 120.570 0.290 0.000 2.406 391 I HA 0.532 4.706 4.170 0.008 0.000 0.290 391 I C 0.889 177.413 176.117 0.679 0.000 0.999 391 I CA -0.081 61.542 61.300 0.539 0.000 1.124 391 I CB 1.660 39.982 38.000 0.537 0.000 1.289 391 I HN 0.645 nan 8.210 nan 0.000 0.441 392 A N 6.098 129.230 122.820 0.520 0.000 2.511 392 A HA 0.090 4.414 4.320 0.008 0.000 0.242 392 A C 1.390 179.129 177.584 0.259 0.000 1.069 392 A CA 0.016 52.286 52.037 0.388 0.000 0.763 392 A CB 0.293 19.433 19.000 0.234 0.000 1.001 392 A HN 0.929 nan 8.150 nan 0.000 0.498 393 K N 1.015 121.405 120.400 -0.016 0.000 2.074 393 K HA -0.208 4.116 4.320 0.008 0.000 0.209 393 K C 1.649 178.174 176.600 -0.124 0.000 1.048 393 K CA 2.086 58.178 56.287 -0.324 0.000 0.926 393 K CB -0.099 31.846 32.500 -0.924 0.000 0.713 393 K HN 0.945 nan 8.250 nan 0.000 0.444 394 E N 0.382 120.533 120.200 -0.082 0.000 2.510 394 E HA -0.175 4.179 4.350 0.008 0.000 0.202 394 E C 1.568 178.179 176.600 0.017 0.000 1.072 394 E CA 0.711 57.089 56.400 -0.037 0.000 0.883 394 E CB -0.113 29.571 29.700 -0.027 0.000 0.818 394 E HN 0.383 nan 8.360 nan 0.000 0.548 395 L N 0.063 121.328 121.223 0.069 0.000 2.425 395 L HA 0.057 4.401 4.340 0.008 0.000 0.215 395 L C 2.252 179.194 176.870 0.119 0.000 1.065 395 L CA -0.251 54.648 54.840 0.098 0.000 0.842 395 L CB -0.271 41.893 42.059 0.175 0.000 1.033 395 L HN 0.039 nan 8.230 nan 0.000 0.474 396 I N 0.973 121.636 120.570 0.154 0.000 2.147 396 I HA -0.242 3.933 4.170 0.008 0.000 0.245 396 I C -0.028 176.175 176.117 0.143 0.000 1.059 396 I CA 2.229 63.640 61.300 0.185 0.000 1.320 396 I CB -2.470 35.635 38.000 0.175 0.000 1.021 396 I HN 0.181 nan 8.210 nan 0.000 0.415 397 P HA -0.149 nan 4.420 nan 0.000 0.208 397 P C 1.613 178.966 177.300 0.087 0.000 1.189 397 P CA 1.343 64.486 63.100 0.072 0.000 0.931 397 P CB -0.137 31.584 31.700 0.037 0.000 0.783 398 E N -0.658 119.584 120.200 0.070 0.000 2.219 398 E HA -0.201 4.154 4.350 0.008 0.000 0.198 398 E C 1.885 178.573 176.600 0.147 0.000 0.998 398 E CA 1.414 57.862 56.400 0.081 0.000 0.818 398 E CB -0.606 29.117 29.700 0.038 0.000 0.741 398 E HN 0.189 nan 8.360 nan 0.000 0.477 399 A N 0.838 123.746 122.820 0.147 0.000 1.832 399 A HA -0.122 4.203 4.320 0.008 0.000 0.214 399 A C 2.471 180.218 177.584 0.271 0.000 1.204 399 A CA 1.892 54.056 52.037 0.212 0.000 0.606 399 A CB -0.911 18.212 19.000 0.205 0.000 0.849 399 A HN 0.209 nan 8.150 nan 0.000 0.445 400 T N -0.095 114.600 114.554 0.236 0.000 2.759 400 T HA -0.153 4.202 4.350 0.008 0.000 0.269 400 T C 1.845 176.663 174.700 0.197 0.000 1.042 400 T CA 1.777 64.023 62.100 0.244 0.000 1.140 400 T CB -0.273 68.717 68.868 0.203 0.000 0.864 400 T HN 0.661 nan 8.240 nan 0.000 0.455 401 E N 1.956 122.241 120.200 0.141 0.000 2.012 401 E HA -0.203 4.151 4.350 0.008 0.000 0.197 401 E C 2.086 178.718 176.600 0.054 0.000 1.007 401 E CA 1.748 58.200 56.400 0.088 0.000 0.816 401 E CB -0.355 29.384 29.700 0.065 0.000 0.762 401 E HN 0.298 nan 8.360 nan 0.000 0.451 402 K N -1.256 119.158 120.400 0.023 0.000 2.173 402 K HA -0.197 4.127 4.320 0.008 0.000 0.207 402 K C 1.728 178.183 176.600 -0.243 0.000 1.046 402 K CA 1.723 57.903 56.287 -0.177 0.000 0.929 402 K CB -0.459 31.779 32.500 -0.437 0.000 0.720 402 K HN 0.334 nan 8.250 nan 0.000 0.453 403 Y N -0.544 119.702 120.300 -0.091 0.000 2.269 403 Y HA 0.151 4.706 4.550 0.008 0.000 0.279 403 Y C 1.830 177.751 175.900 0.035 0.000 1.118 403 Y CA 1.062 59.150 58.100 -0.020 0.000 1.145 403 Y CB -0.035 38.468 38.460 0.072 0.000 1.081 403 Y HN -0.157 nan 8.280 nan 0.000 0.501 404 L N -1.297 120.089 121.223 0.272 0.000 2.179 404 L HA 0.048 4.392 4.340 0.008 0.000 0.208 404 L C 2.327 179.261 176.870 0.106 0.000 1.096 404 L CA 1.098 56.050 54.840 0.188 0.000 0.779 404 L CB -1.214 40.964 42.059 0.198 0.000 0.922 404 L HN 0.325 nan 8.230 nan 0.000 0.443 405 G N 0.438 109.290 108.800 0.087 0.000 2.586 405 G HA2 -0.111 3.854 3.960 0.008 0.000 0.215 405 G HA3 -0.111 3.854 3.960 0.008 0.000 0.215 405 G C 1.543 176.457 174.900 0.023 0.000 1.128 405 G CA 0.600 45.730 45.100 0.049 0.000 0.774 405 G HN 0.477 nan 8.290 nan 0.000 0.543 406 G N 0.058 108.867 108.800 0.015 0.000 2.442 406 G HA2 0.112 4.076 3.960 0.008 0.000 0.219 406 G HA3 0.112 4.076 3.960 0.008 0.000 0.219 406 G C 0.891 175.795 174.900 0.007 0.000 1.141 406 G CA 1.472 46.568 45.100 -0.006 0.000 0.763 406 G HN 0.761 nan 8.290 nan 0.000 0.554 407 T N -3.429 111.138 114.554 0.022 0.000 2.909 407 T HA 0.431 4.785 4.350 0.008 0.000 0.299 407 T C -0.128 174.588 174.700 0.027 0.000 1.073 407 T CA -0.641 61.472 62.100 0.022 0.000 0.999 407 T CB 2.264 71.147 68.868 0.025 0.000 1.098 407 T HN -0.092 nan 8.240 nan 0.000 0.477 408 D N 0.328 120.741 120.400 0.022 0.000 2.348 408 D HA -0.045 4.600 4.640 0.008 0.000 0.216 408 D C 0.346 176.660 176.300 0.024 0.000 0.970 408 D CA 0.657 54.670 54.000 0.021 0.000 0.889 408 D CB 0.147 40.957 40.800 0.016 0.000 0.912 408 D HN 0.596 nan 8.370 nan 0.000 0.524 409 D N 0.709 121.125 120.400 0.027 0.000 2.425 409 D HA -0.014 4.630 4.640 0.008 0.000 0.247 409 D C 1.158 177.480 176.300 0.037 0.000 1.147 409 D CA 0.314 54.332 54.000 0.031 0.000 0.879 409 D CB 1.346 42.166 40.800 0.033 0.000 1.179 409 D HN 0.017 nan 8.370 nan 0.000 0.456 410 T N 0.820 115.395 114.554 0.035 0.000 2.976 410 T HA -0.039 4.315 4.350 0.008 0.000 0.257 410 T C 2.035 176.765 174.700 0.049 0.000 1.051 410 T CA 0.219 62.341 62.100 0.037 0.000 1.141 410 T CB -0.169 68.715 68.868 0.028 0.000 0.881 410 T HN 0.298 nan 8.240 nan 0.000 0.461 411 V N 1.803 121.746 119.914 0.047 0.000 2.867 411 V HA -0.099 4.026 4.120 0.008 0.000 0.260 411 V C 2.182 178.319 176.094 0.072 0.000 1.099 411 V CA 1.382 63.716 62.300 0.056 0.000 1.122 411 V CB -0.868 30.983 31.823 0.046 0.000 0.708 411 V HN 0.505 nan 8.190 nan 0.000 0.490 412 K N -0.352 120.091 120.400 0.072 0.000 2.352 412 K HA 0.110 4.435 4.320 0.008 0.000 0.194 412 K C 2.027 178.695 176.600 0.113 0.000 1.038 412 K CA 0.026 56.365 56.287 0.086 0.000 1.023 412 K CB 0.104 32.645 32.500 0.070 0.000 0.840 412 K HN 0.406 nan 8.250 nan 0.000 0.519 413 K N 1.350 121.812 120.400 0.105 0.000 2.062 413 K HA -0.100 4.224 4.320 0.008 0.000 0.205 413 K C 2.079 178.785 176.600 0.177 0.000 1.051 413 K CA 0.978 57.341 56.287 0.127 0.000 0.941 413 K CB 0.067 32.613 32.500 0.077 0.000 0.719 413 K HN -0.003 nan 8.250 nan 0.000 0.440 414 K N 1.352 121.843 120.400 0.152 0.000 2.009 414 K HA -0.211 4.114 4.320 0.008 0.000 0.210 414 K C 1.415 178.186 176.600 0.285 0.000 1.049 414 K CA 1.979 58.394 56.287 0.214 0.000 0.929 414 K CB -0.062 32.539 32.500 0.169 0.000 0.714 414 K HN 0.075 nan 8.250 nan 0.000 0.440 415 D N 1.056 121.583 120.400 0.212 0.000 2.092 415 D HA -0.186 4.459 4.640 0.008 0.000 0.193 415 D C 2.074 178.506 176.300 0.219 0.000 0.994 415 D CA 1.094 55.214 54.000 0.199 0.000 0.828 415 D CB -0.339 40.551 40.800 0.150 0.000 0.963 415 D HN 0.248 nan 8.370 nan 0.000 0.450 416 L N -0.141 121.218 121.223 0.227 0.000 2.265 416 L HA -0.149 4.196 4.340 0.008 0.000 0.215 416 L C 2.266 179.310 176.870 0.290 0.000 1.117 416 L CA 0.349 55.349 54.840 0.266 0.000 0.782 416 L CB -0.235 41.981 42.059 0.261 0.000 0.914 416 L HN -0.045 nan 8.230 nan 0.000 0.441 417 F N 0.290 120.313 119.950 0.121 0.000 2.206 417 F HA -0.124 4.408 4.527 0.008 0.000 0.298 417 F C 2.062 177.869 175.800 0.013 0.000 1.090 417 F CA 1.280 59.324 58.000 0.072 0.000 1.323 417 F CB -0.036 39.032 39.000 0.113 0.000 1.028 417 F HN -0.123 nan 8.300 nan 0.000 0.492 418 L N -0.448 120.841 121.223 0.110 0.000 2.072 418 L HA -0.167 4.178 4.340 0.008 0.000 0.205 418 L C 2.033 178.893 176.870 -0.016 0.000 1.079 418 L CA 1.255 56.124 54.840 0.049 0.000 0.752 418 L CB -0.866 41.350 42.059 0.261 0.000 0.906 418 L HN 0.007 nan 8.230 nan 0.000 0.436 419 D N 0.227 120.670 120.400 0.072 0.000 2.218 419 D HA -0.159 4.485 4.640 0.008 0.000 0.204 419 D C 2.120 178.419 176.300 -0.000 0.000 0.976 419 D CA 0.842 54.900 54.000 0.098 0.000 0.853 419 D CB 0.124 41.039 40.800 0.191 0.000 0.939 419 D HN 0.179 nan 8.370 nan 0.000 0.481 420 L N 0.910 122.015 121.223 -0.196 0.000 2.007 420 L HA -0.067 4.277 4.340 0.008 0.000 0.205 420 L C 2.226 178.781 176.870 -0.525 0.000 1.073 420 L CA 1.140 55.623 54.840 -0.595 0.000 0.744 420 L CB -0.823 40.806 42.059 -0.716 0.000 0.898 420 L HN -0.055 nan 8.230 nan 0.000 0.435 421 I N 0.726 120.909 120.570 -0.645 0.000 2.399 421 I HA -0.284 3.890 4.170 0.008 0.000 0.254 421 I C 2.651 178.473 176.117 -0.493 0.000 1.146 421 I CA 1.123 61.973 61.300 -0.751 0.000 1.412 421 I CB -0.404 36.792 38.000 -1.341 0.000 1.076 421 I HN 0.357 nan 8.210 nan 0.000 0.432 422 A N -0.243 122.418 122.820 -0.265 0.000 1.935 422 A HA -0.139 4.186 4.320 0.008 0.000 0.214 422 A C 1.961 179.560 177.584 0.024 0.000 1.178 422 A CA 1.083 53.133 52.037 0.022 0.000 0.640 422 A CB -0.297 18.760 19.000 0.094 0.000 0.825 422 A HN 0.270 nan 8.150 nan 0.000 0.447 423 D N -0.207 120.138 120.400 -0.092 0.000 2.310 423 D HA -0.064 4.580 4.640 0.008 0.000 0.212 423 D C 1.786 177.890 176.300 -0.326 0.000 0.965 423 D CA 1.000 54.940 54.000 -0.101 0.000 0.879 423 D CB 0.211 41.031 40.800 0.033 0.000 0.921 423 D HN 0.256 nan 8.370 nan 0.000 0.510 424 V N 0.282 119.911 119.914 -0.476 0.000 2.725 424 V HA -0.037 4.088 4.120 0.008 0.000 0.247 424 V C 2.321 178.203 176.094 -0.354 0.000 1.058 424 V CA 0.726 62.666 62.300 -0.600 0.000 1.080 424 V CB -0.001 31.400 31.823 -0.703 0.000 0.713 424 V HN 0.145 nan 8.190 nan 0.000 0.465 425 M N -1.452 117.972 119.600 -0.294 0.000 2.357 425 M HA 0.111 4.596 4.480 0.008 0.000 0.266 425 M C 1.638 177.533 176.300 -0.675 0.000 1.095 425 M CA 1.923 56.935 55.300 -0.481 0.000 1.156 425 M CB 0.089 32.371 32.600 -0.530 0.000 1.365 425 M HN 0.387 nan 8.290 nan 0.000 0.447 426 F N -1.798 118.093 119.950 -0.100 0.000 2.577 426 F HA 0.367 4.898 4.527 0.007 0.000 0.282 426 F C 2.186 177.936 175.800 -0.084 0.000 0.957 426 F CA 0.061 58.023 58.000 -0.063 0.000 1.168 426 F CB -1.403 37.597 39.000 -0.001 0.000 0.958 426 F HN 0.031 nan 8.300 nan 0.000 0.702 427 G N 1.665 110.543 108.800 0.131 0.000 2.957 427 G HA2 -0.260 3.705 3.960 0.008 0.000 0.207 427 G HA3 -0.260 3.705 3.960 0.008 0.000 0.207 427 G C 1.710 176.604 174.900 -0.011 0.000 1.389 427 G CA 2.269 47.394 45.100 0.041 0.000 0.796 427 G HN 0.128 nan 8.290 nan 0.000 0.704 428 V N 2.617 122.506 119.914 -0.042 0.000 2.250 428 V HA -0.176 3.949 4.120 0.008 0.000 0.250 428 V C 0.536 176.610 176.094 -0.034 0.000 1.060 428 V CA 2.659 64.948 62.300 -0.019 0.000 1.030 428 V CB -1.653 30.146 31.823 -0.041 0.000 0.643 428 V HN 0.340 nan 8.190 nan 0.000 0.445 429 P HA -0.175 nan 4.420 nan 0.000 0.214 429 P C 2.076 179.331 177.300 -0.074 0.000 1.172 429 P CA 2.358 65.413 63.100 -0.075 0.000 0.925 429 P CB -0.224 31.398 31.700 -0.130 0.000 0.793 430 S N -0.771 114.881 115.700 -0.080 0.000 2.372 430 S HA -0.154 4.320 4.470 0.008 0.000 0.227 430 S C 2.014 176.511 174.600 -0.172 0.000 1.044 430 S CA 1.622 59.748 58.200 -0.123 0.000 1.050 430 S CB -1.426 61.708 63.200 -0.111 0.000 0.901 430 S HN -0.046 nan 8.310 nan 0.000 0.447 431 V N 1.974 121.808 119.914 -0.132 0.000 2.358 431 V HA -0.134 3.990 4.120 0.008 0.000 0.246 431 V C 2.040 178.091 176.094 -0.071 0.000 1.047 431 V CA 1.406 63.626 62.300 -0.133 0.000 1.035 431 V CB -0.680 31.118 31.823 -0.042 0.000 0.658 431 V HN 0.471 nan 8.190 nan 0.000 0.452 432 I N -0.235 120.318 120.570 -0.028 0.000 2.361 432 I HA -0.192 3.982 4.170 0.008 0.000 0.251 432 I C 2.276 178.392 176.117 -0.002 0.000 1.133 432 I CA 1.136 62.441 61.300 0.008 0.000 1.413 432 I CB -0.330 37.680 38.000 0.016 0.000 1.073 432 I HN 0.179 nan 8.210 nan 0.000 0.424 433 V N 0.828 120.715 119.914 -0.045 0.000 2.453 433 V HA -0.177 3.947 4.120 0.008 0.000 0.247 433 V C 2.661 178.728 176.094 -0.044 0.000 1.048 433 V CA 1.656 63.939 62.300 -0.029 0.000 1.049 433 V CB -0.755 31.031 31.823 -0.062 0.000 0.672 433 V HN 0.447 nan 8.190 nan 0.000 0.457 434 A N 0.332 123.054 122.820 -0.163 0.000 1.858 434 A HA -0.214 4.111 4.320 0.008 0.000 0.216 434 A C 2.370 179.964 177.584 0.015 0.000 1.190 434 A CA 1.839 53.725 52.037 -0.252 0.000 0.617 434 A CB -0.506 18.102 19.000 -0.653 0.000 0.827 434 A HN 0.463 nan 8.150 nan 0.000 0.443 435 R N -0.129 120.437 120.500 0.110 0.000 2.094 435 R HA -0.167 4.177 4.340 0.008 0.000 0.239 435 R C 2.134 178.521 176.300 0.145 0.000 1.137 435 R CA 1.955 58.188 56.100 0.222 0.000 0.943 435 R CB -0.573 29.833 30.300 0.177 0.000 0.850 435 R HN 0.718 nan 8.270 nan 0.000 0.433 436 N N -0.732 118.033 118.700 0.109 0.000 2.104 436 N HA -0.226 4.519 4.740 0.008 0.000 0.190 436 N C 1.823 177.407 175.510 0.124 0.000 1.024 436 N CA 1.200 54.308 53.050 0.097 0.000 0.853 436 N CB -0.224 38.312 38.487 0.082 0.000 1.008 436 N HN 0.292 nan 8.380 nan 0.000 0.424 437 H N 1.541 120.658 119.070 0.078 0.000 2.387 437 H HA -0.036 4.525 4.556 0.008 0.000 0.299 437 H C 2.256 177.638 175.328 0.091 0.000 1.090 437 H CA 1.527 57.643 56.048 0.112 0.000 1.332 437 H CB 0.055 29.914 29.762 0.162 0.000 1.386 437 H HN 0.063 nan 8.280 nan 0.000 0.516 438 R N 0.270 120.843 120.500 0.121 0.000 2.070 438 R HA -0.138 4.206 4.340 0.008 0.000 0.233 438 R C 1.445 177.744 176.300 -0.001 0.000 1.137 438 R CA 2.029 58.169 56.100 0.068 0.000 0.945 438 R CB -0.261 30.146 30.300 0.179 0.000 0.845 438 R HN 0.359 nan 8.270 nan 0.000 0.430 439 D N 0.649 121.067 120.400 0.029 0.000 2.149 439 D HA -0.133 4.512 4.640 0.008 0.000 0.198 439 D C 1.713 178.004 176.300 -0.015 0.000 0.990 439 D CA 1.530 55.536 54.000 0.010 0.000 0.839 439 D CB -0.321 40.496 40.800 0.029 0.000 0.948 439 D HN 0.445 nan 8.370 nan 0.000 0.460 440 A N 0.058 122.861 122.820 -0.028 0.000 2.186 440 A HA 0.154 4.479 4.320 0.008 0.000 0.219 440 A C 1.603 179.144 177.584 -0.072 0.000 1.159 440 A CA 1.591 53.604 52.037 -0.040 0.000 0.680 440 A CB -0.471 18.506 19.000 -0.038 0.000 0.787 440 A HN 0.351 nan 8.150 nan 0.000 0.467 441 G N -2.626 106.117 108.800 -0.096 0.000 2.356 441 G HA2 0.362 4.327 3.960 0.008 0.000 0.233 441 G HA3 0.362 4.327 3.960 0.008 0.000 0.233 441 G C -0.095 174.726 174.900 -0.132 0.000 1.105 441 G CA 0.223 45.269 45.100 -0.091 0.000 0.861 441 G HN 1.823 nan 8.290 nan 0.000 0.493 442 A N -0.462 122.240 122.820 -0.197 0.000 2.606 442 A HA 0.953 5.277 4.320 0.008 0.000 0.293 442 A C -3.015 174.496 177.584 -0.122 0.000 1.082 442 A CA -1.406 50.509 52.037 -0.204 0.000 0.685 442 A CB 1.550 20.332 19.000 -0.364 0.000 1.284 442 A HN 0.138 nan 8.150 nan 0.000 0.408 443 P HA 0.284 nan 4.420 nan 0.000 0.263 443 P C -0.636 176.776 177.300 0.186 0.000 1.195 443 P CA 0.853 63.985 63.100 0.055 0.000 0.762 443 P CB 0.577 32.354 31.700 0.127 0.000 0.799 444 T N 3.010 117.549 114.554 -0.026 0.000 2.971 444 T HA 0.522 4.876 4.350 0.008 0.000 0.304 444 T C -1.054 173.481 174.700 -0.276 0.000 1.038 444 T CA -0.363 61.772 62.100 0.058 0.000 1.007 444 T CB 0.732 69.723 68.868 0.206 0.000 1.055 444 T HN 0.106 nan 8.240 nan 0.000 0.451 445 Y N 1.141 121.405 120.300 -0.060 0.000 2.602 445 Y HA 0.812 5.367 4.550 0.007 0.000 0.342 445 Y C 0.011 175.810 175.900 -0.168 0.000 1.029 445 Y CA -1.335 56.671 58.100 -0.157 0.000 1.080 445 Y CB 2.236 40.352 38.460 -0.573 0.000 1.284 445 Y HN 0.418 nan 8.280 nan 0.000 0.485 446 M N 1.878 121.669 119.600 0.319 0.000 2.520 446 M HA 0.407 4.892 4.480 0.008 0.000 0.280 446 M C -1.724 174.944 176.300 0.613 0.000 1.232 446 M CA -0.816 54.598 55.300 0.190 0.000 0.892 446 M CB 3.317 35.852 32.600 -0.108 0.000 1.728 446 M HN 0.776 nan 8.290 nan 0.000 0.475 447 Y N -1.134 119.407 120.300 0.402 0.000 2.677 447 Y HA 0.817 5.371 4.550 0.007 0.000 0.334 447 Y C -1.412 174.644 175.900 0.260 0.000 1.154 447 Y CA -0.920 57.411 58.100 0.384 0.000 1.070 447 Y CB 1.747 40.461 38.460 0.423 0.000 1.294 447 Y HN 0.697 nan 8.280 nan 0.000 0.475 448 E N 1.921 122.520 120.200 0.665 0.000 2.409 448 E HA 0.249 4.603 4.350 0.008 0.000 0.259 448 E C -2.211 174.690 176.600 0.501 0.000 0.932 448 E CA -0.658 56.036 56.400 0.490 0.000 0.809 448 E CB 0.915 30.805 29.700 0.318 0.000 1.341 448 E HN 0.630 nan 8.360 nan 0.000 0.405 449 F N 3.511 123.712 119.950 0.419 0.000 2.506 449 F HA 0.123 4.655 4.527 0.008 0.000 0.371 449 F C 0.279 176.201 175.800 0.204 0.000 1.078 449 F CA 0.527 58.669 58.000 0.237 0.000 1.195 449 F CB 0.818 39.938 39.000 0.199 0.000 1.099 449 F HN 0.480 nan 8.300 nan 0.000 0.548 450 Q N 7.323 127.062 119.800 -0.102 0.000 2.943 450 Q HA 0.168 4.513 4.340 0.008 0.000 0.327 450 Q C -2.080 173.861 176.000 -0.098 0.000 0.937 450 Q CA -0.393 55.408 55.803 -0.003 0.000 0.914 450 Q CB 0.542 29.298 28.738 0.031 0.000 1.339 450 Q HN 0.798 nan 8.270 nan 0.000 0.417 451 Y N -0.003 120.146 120.300 -0.253 0.000 2.597 451 Y HA 0.467 5.021 4.550 0.007 0.000 0.340 451 Y C -1.680 174.295 175.900 0.125 0.000 1.097 451 Y CA -1.018 56.974 58.100 -0.181 0.000 1.037 451 Y CB 1.646 39.812 38.460 -0.489 0.000 1.305 451 Y HN 0.294 nan 8.280 nan 0.000 0.463 452 R N 6.301 126.478 120.500 -0.539 0.000 2.337 452 R HA 0.481 4.826 4.340 0.008 0.000 0.319 452 R C -2.815 173.331 176.300 -0.256 0.000 0.954 452 R CA -2.095 53.865 56.100 -0.233 0.000 0.840 452 R CB 1.151 31.310 30.300 -0.235 0.000 1.164 452 R HN 0.461 nan 8.270 nan 0.000 0.472 453 P HA -0.017 nan 4.420 nan 0.000 0.271 453 P C -0.077 177.120 177.300 -0.172 0.000 1.233 453 P CA -0.023 63.109 63.100 0.054 0.000 0.789 453 P CB 1.276 32.936 31.700 -0.066 0.000 0.951 454 S N -0.369 115.127 115.700 -0.340 0.000 2.503 454 S HA 0.046 4.521 4.470 0.008 0.000 0.215 454 S C 1.305 175.617 174.600 -0.480 0.000 1.003 454 S CA -0.055 57.878 58.200 -0.445 0.000 0.910 454 S CB -0.860 62.008 63.200 -0.554 0.000 0.790 454 S HN 0.323 nan 8.310 nan 0.000 0.514 455 F N 2.957 122.718 119.950 -0.316 0.000 2.816 455 F HA 0.353 4.885 4.527 0.008 0.000 0.302 455 F C 1.559 177.194 175.800 -0.276 0.000 1.178 455 F CA -0.387 57.428 58.000 -0.308 0.000 1.421 455 F CB -0.805 37.955 39.000 -0.400 0.000 1.114 455 F HN 0.046 nan 8.300 nan 0.000 0.573 456 S N -0.287 115.335 115.700 -0.130 0.000 2.680 456 S HA 0.029 4.503 4.470 0.008 0.000 0.249 456 S C 0.626 175.232 174.600 0.011 0.000 1.358 456 S CA -0.386 57.799 58.200 -0.025 0.000 0.963 456 S CB 0.348 63.519 63.200 -0.048 0.000 0.984 456 S HN 0.278 nan 8.310 nan 0.000 0.584 457 S N -0.516 115.183 115.700 -0.002 0.000 2.617 457 S HA 0.229 4.704 4.470 0.008 0.000 0.283 457 S C 0.135 174.646 174.600 -0.148 0.000 1.189 457 S CA -0.759 57.417 58.200 -0.039 0.000 1.036 457 S CB 0.599 63.800 63.200 0.003 0.000 1.014 457 S HN 0.503 nan 8.310 nan 0.000 0.522 458 D N 2.942 123.278 120.400 -0.106 0.000 2.310 458 D HA 0.012 4.657 4.640 0.008 0.000 0.212 458 D C 1.239 177.433 176.300 -0.178 0.000 0.965 458 D CA 1.208 55.136 54.000 -0.120 0.000 0.879 458 D CB -0.090 40.667 40.800 -0.071 0.000 0.921 458 D HN 0.562 nan 8.370 nan 0.000 0.510 459 M N -0.260 119.198 119.600 -0.237 0.000 2.495 459 M HA 0.041 4.525 4.480 0.008 0.000 0.237 459 M C 0.757 176.640 176.300 -0.695 0.000 1.131 459 M CA 0.089 55.203 55.300 -0.309 0.000 1.032 459 M CB 0.394 32.915 32.600 -0.132 0.000 1.513 459 M HN -0.235 nan 8.290 nan 0.000 0.488 460 K N 3.074 122.957 120.400 -0.862 0.000 2.201 460 K HA 0.283 4.608 4.320 0.008 0.000 0.278 460 K C -2.296 174.001 176.600 -0.505 0.000 1.027 460 K CA -1.723 53.911 56.287 -1.088 0.000 0.909 460 K CB 0.953 32.930 32.500 -0.872 0.000 1.062 460 K HN -0.108 nan 8.250 nan 0.000 0.465 461 P HA 0.005 nan 4.420 nan 0.000 0.269 461 P C -0.593 176.626 177.300 -0.135 0.000 1.209 461 P CA 0.001 62.988 63.100 -0.188 0.000 0.776 461 P CB 0.798 32.435 31.700 -0.105 0.000 0.876 462 K N 0.471 120.809 120.400 -0.104 0.000 2.459 462 K HA -0.019 4.306 4.320 0.008 0.000 0.193 462 K C 1.660 178.226 176.600 -0.057 0.000 1.030 462 K CA 1.076 57.311 56.287 -0.088 0.000 1.026 462 K CB -0.235 32.213 32.500 -0.087 0.000 0.809 462 K HN 0.619 nan 8.250 nan 0.000 0.504 463 T N -2.038 112.495 114.554 -0.035 0.000 3.085 463 T HA 0.033 4.387 4.350 0.008 0.000 0.263 463 T C 0.728 175.437 174.700 0.014 0.000 1.127 463 T CA -0.004 62.092 62.100 -0.007 0.000 1.103 463 T CB 0.013 68.886 68.868 0.009 0.000 0.921 463 T HN -0.227 nan 8.240 nan 0.000 0.510 464 V N 2.607 122.531 119.914 0.017 0.000 2.385 464 V HA 0.464 4.589 4.120 0.008 0.000 0.269 464 V C -0.003 176.119 176.094 0.046 0.000 1.043 464 V CA -0.848 61.486 62.300 0.057 0.000 0.906 464 V CB 0.623 32.504 31.823 0.096 0.000 0.995 464 V HN 0.429 nan 8.190 nan 0.000 0.467 465 I N 3.385 123.989 120.570 0.058 0.000 2.493 465 I HA 0.626 4.801 4.170 0.008 0.000 0.298 465 I C 1.010 177.204 176.117 0.128 0.000 0.998 465 I CA -0.610 60.719 61.300 0.049 0.000 1.137 465 I CB 1.788 39.793 38.000 0.008 0.000 1.310 465 I HN 0.793 nan 8.210 nan 0.000 0.445 466 G N 3.829 112.745 108.800 0.194 0.000 2.363 466 G HA2 -0.231 3.734 3.960 0.008 0.000 0.286 466 G HA3 -0.231 3.734 3.960 0.008 0.000 0.286 466 G C -0.316 174.744 174.900 0.267 0.000 0.975 466 G CA 0.080 45.382 45.100 0.336 0.000 1.309 466 G HN 0.749 nan 8.290 nan 0.000 0.491 467 D N -0.618 119.932 120.400 0.250 0.000 2.403 467 D HA 0.349 4.993 4.640 0.008 0.000 0.278 467 D C 0.970 177.395 176.300 0.209 0.000 1.230 467 D CA -0.576 53.561 54.000 0.229 0.000 1.062 467 D CB 0.356 41.319 40.800 0.272 0.000 1.119 467 D HN 0.418 nan 8.370 nan 0.000 0.557 468 H N -1.546 117.574 119.070 0.084 0.000 2.848 468 H HA 0.369 4.930 4.556 0.007 0.000 0.317 468 H C 1.232 176.600 175.328 0.067 0.000 1.046 468 H CA 1.401 57.459 56.048 0.017 0.000 1.470 468 H CB 0.359 30.116 29.762 -0.009 0.000 1.483 468 H HN 0.543 nan 8.280 nan 0.000 0.548 469 G N 4.295 112.807 108.800 -0.480 0.000 2.353 469 G HA2 -0.466 3.499 3.960 0.008 0.000 0.258 469 G HA3 -0.466 3.499 3.960 0.008 0.000 0.258 469 G C 1.437 176.150 174.900 -0.311 0.000 1.013 469 G CA 0.902 45.695 45.100 -0.513 0.000 0.622 469 G HN 0.683 nan 8.290 nan 0.000 0.535 470 D N 1.143 121.522 120.400 -0.035 0.000 2.339 470 D HA -0.215 4.430 4.640 0.008 0.000 0.189 470 D C 2.378 178.595 176.300 -0.137 0.000 1.022 470 D CA 1.924 56.021 54.000 0.162 0.000 0.884 470 D CB -0.243 40.715 40.800 0.264 0.000 0.916 470 D HN 0.790 nan 8.370 nan 0.000 0.453 471 E N 1.132 120.873 120.200 -0.766 0.000 2.273 471 E HA -0.212 4.143 4.350 0.008 0.000 0.198 471 E C 2.221 178.488 176.600 -0.555 0.000 1.002 471 E CA 0.669 56.262 56.400 -1.345 0.000 0.828 471 E CB -0.646 28.322 29.700 -1.219 0.000 0.747 471 E HN 0.398 nan 8.360 nan 0.000 0.491 472 L N -0.260 120.731 121.223 -0.387 0.000 1.990 472 L HA -0.195 4.149 4.340 0.008 0.000 0.213 472 L C 2.737 179.460 176.870 -0.244 0.000 1.072 472 L CA 1.891 56.541 54.840 -0.317 0.000 0.755 472 L CB -0.784 40.977 42.059 -0.497 0.000 0.889 472 L HN 0.028 nan 8.230 nan 0.000 0.432 473 F N -0.051 119.829 119.950 -0.116 0.000 2.087 473 F HA -0.343 4.189 4.527 0.008 0.000 0.299 473 F C 3.047 178.820 175.800 -0.046 0.000 1.100 473 F CA 1.876 59.820 58.000 -0.094 0.000 1.226 473 F CB -0.992 38.003 39.000 -0.009 0.000 0.983 473 F HN 0.124 nan 8.300 nan 0.000 0.479 474 S N 0.291 116.088 115.700 0.160 0.000 2.343 474 S HA -0.158 4.317 4.470 0.008 0.000 0.219 474 S C 2.194 176.733 174.600 -0.102 0.000 1.033 474 S CA 1.666 59.902 58.200 0.060 0.000 1.014 474 S CB -0.827 62.414 63.200 0.069 0.000 0.915 474 S HN 0.088 nan 8.310 nan 0.000 0.435 475 V N 0.575 120.327 119.914 -0.271 0.000 2.324 475 V HA -0.137 3.987 4.120 0.008 0.000 0.250 475 V C 1.848 177.730 176.094 -0.354 0.000 1.060 475 V CA 1.873 63.901 62.300 -0.453 0.000 1.042 475 V CB -0.913 30.608 31.823 -0.503 0.000 0.650 475 V HN 0.568 nan 8.190 nan 0.000 0.450 476 F N 0.680 120.478 119.950 -0.253 0.000 2.701 476 F HA 0.454 4.985 4.527 0.007 0.000 0.295 476 F C 1.646 177.372 175.800 -0.123 0.000 1.165 476 F CA 0.314 58.181 58.000 -0.223 0.000 1.399 476 F CB -0.470 38.344 39.000 -0.309 0.000 0.996 476 F HN 0.245 nan 8.300 nan 0.000 0.513 477 G N 0.820 109.651 108.800 0.051 0.000 2.395 477 G HA2 -0.320 3.645 3.960 0.008 0.000 0.300 477 G HA3 -0.320 3.645 3.960 0.008 0.000 0.300 477 G C 1.318 176.400 174.900 0.303 0.000 0.998 477 G CA 0.405 45.637 45.100 0.220 0.000 1.046 477 G HN 0.605 nan 8.290 nan 0.000 0.513 478 A N 0.141 123.034 122.820 0.122 0.000 1.933 478 A HA 0.126 4.450 4.320 0.008 0.000 0.218 478 A C 0.684 178.255 177.584 -0.022 0.000 1.175 478 A CA 1.993 53.972 52.037 -0.097 0.000 0.628 478 A CB -0.760 17.990 19.000 -0.417 0.000 0.814 478 A HN 0.474 nan 8.150 nan 0.000 0.444 479 P HA -0.161 nan 4.420 nan 0.000 0.218 479 P C 0.580 177.890 177.300 0.016 0.000 1.146 479 P CA 1.090 64.330 63.100 0.233 0.000 0.820 479 P CB -0.166 31.521 31.700 -0.021 0.000 0.778 480 F N -2.704 117.329 119.950 0.138 0.000 2.789 480 F HA 0.134 4.666 4.527 0.008 0.000 0.300 480 F C 1.866 177.742 175.800 0.127 0.000 1.132 480 F CA 0.541 58.636 58.000 0.158 0.000 1.404 480 F CB -0.614 38.528 39.000 0.237 0.000 1.114 480 F HN -0.141 nan 8.300 nan 0.000 0.584 481 L N -1.112 120.261 121.223 0.249 0.000 2.488 481 L HA 0.175 4.519 4.340 0.008 0.000 0.186 481 L C 0.862 177.810 176.870 0.129 0.000 1.124 481 L CA 0.053 54.986 54.840 0.156 0.000 0.838 481 L CB -0.304 41.810 42.059 0.092 0.000 1.107 481 L HN -0.306 nan 8.230 nan 0.000 0.494 482 K N 1.346 121.815 120.400 0.114 0.000 2.326 482 K HA 0.163 4.487 4.320 0.008 0.000 0.275 482 K C -0.511 176.260 176.600 0.286 0.000 1.018 482 K CA 0.001 56.403 56.287 0.192 0.000 0.962 482 K CB 0.924 33.546 32.500 0.203 0.000 0.953 482 K HN 0.019 nan 8.250 nan 0.000 0.475 483 E N -0.709 119.611 120.200 0.200 0.000 2.267 483 E HA 0.354 4.709 4.350 0.008 0.000 0.258 483 E C 0.428 177.072 176.600 0.072 0.000 1.074 483 E CA 0.233 56.709 56.400 0.128 0.000 0.915 483 E CB 1.160 30.904 29.700 0.073 0.000 1.186 483 E HN 0.696 nan 8.360 nan 0.000 0.439 484 G N -0.486 108.311 108.800 -0.005 0.000 2.149 484 G HA2 -0.114 3.851 3.960 0.008 0.000 0.235 484 G HA3 -0.114 3.851 3.960 0.008 0.000 0.235 484 G C -0.121 174.667 174.900 -0.186 0.000 1.018 484 G CA -0.025 45.026 45.100 -0.083 0.000 0.728 484 G HN 0.611 nan 8.290 nan 0.000 0.508 485 A N 0.362 123.088 122.820 -0.156 0.000 2.288 485 A HA 0.861 5.185 4.320 0.008 0.000 0.320 485 A C 0.762 178.264 177.584 -0.136 0.000 1.217 485 A CA 0.651 52.554 52.037 -0.224 0.000 0.840 485 A CB 0.800 19.736 19.000 -0.107 0.000 1.179 485 A HN 1.939 nan 8.150 nan 0.000 0.504 486 S N 1.481 117.103 115.700 -0.129 0.000 2.584 486 S HA 0.124 4.599 4.470 0.008 0.000 0.270 486 S C 0.899 175.451 174.600 -0.079 0.000 1.346 486 S CA 0.495 58.643 58.200 -0.086 0.000 1.018 486 S CB 0.844 64.005 63.200 -0.065 0.000 0.899 486 S HN 0.785 nan 8.310 nan 0.000 0.542 487 E N 0.609 120.768 120.200 -0.068 0.000 2.160 487 E HA -0.198 4.157 4.350 0.008 0.000 0.195 487 E C 1.817 178.374 176.600 -0.071 0.000 0.991 487 E CA 1.784 58.139 56.400 -0.074 0.000 0.810 487 E CB -0.279 29.388 29.700 -0.055 0.000 0.742 487 E HN 0.812 nan 8.360 nan 0.000 0.466 488 E N 0.365 120.537 120.200 -0.048 0.000 2.038 488 E HA -0.277 4.078 4.350 0.008 0.000 0.195 488 E C 1.983 178.541 176.600 -0.070 0.000 1.000 488 E CA 1.502 57.880 56.400 -0.037 0.000 0.803 488 E CB -0.169 29.539 29.700 0.013 0.000 0.750 488 E HN 0.448 nan 8.360 nan 0.000 0.448 489 E N 0.126 120.302 120.200 -0.040 0.000 2.204 489 E HA -0.148 4.207 4.350 0.008 0.000 0.194 489 E C 2.232 178.770 176.600 -0.103 0.000 0.989 489 E CA 0.652 57.007 56.400 -0.075 0.000 0.824 489 E CB -0.023 29.703 29.700 0.043 0.000 0.756 489 E HN 0.346 nan 8.360 nan 0.000 0.477 490 I N 0.280 120.772 120.570 -0.130 0.000 2.252 490 I HA -0.235 3.940 4.170 0.008 0.000 0.245 490 I C 2.708 178.719 176.117 -0.176 0.000 1.102 490 I CA 0.901 62.060 61.300 -0.236 0.000 1.385 490 I CB -0.235 37.591 38.000 -0.291 0.000 1.064 490 I HN 0.078 nan 8.210 nan 0.000 0.414 491 R N 0.222 120.648 120.500 -0.123 0.000 2.115 491 R HA -0.151 4.194 4.340 0.008 0.000 0.226 491 R C 2.224 178.462 176.300 -0.103 0.000 1.100 491 R CA 0.973 57.019 56.100 -0.089 0.000 0.980 491 R CB -0.197 30.055 30.300 -0.079 0.000 0.875 491 R HN 0.210 nan 8.270 nan 0.000 0.445 492 L N 0.457 121.590 121.223 -0.150 0.000 1.976 492 L HA -0.175 4.169 4.340 0.008 0.000 0.209 492 L C 2.302 179.096 176.870 -0.127 0.000 1.071 492 L CA 2.310 57.031 54.840 -0.198 0.000 0.746 492 L CB -1.133 40.691 42.059 -0.392 0.000 0.890 492 L HN 0.058 nan 8.230 nan 0.000 0.432 493 S N -0.691 114.968 115.700 -0.069 0.000 2.365 493 S HA -0.338 4.136 4.470 0.008 0.000 0.225 493 S C 2.258 176.879 174.600 0.034 0.000 1.039 493 S CA 2.008 60.219 58.200 0.018 0.000 1.033 493 S CB -0.562 62.722 63.200 0.141 0.000 0.887 493 S HN 0.542 nan 8.310 nan 0.000 0.447 494 K N -0.183 120.274 120.400 0.096 0.000 2.209 494 K HA -0.047 4.278 4.320 0.008 0.000 0.204 494 K C 2.248 178.809 176.600 -0.064 0.000 1.048 494 K CA 1.364 57.688 56.287 0.062 0.000 0.940 494 K CB -0.199 32.386 32.500 0.143 0.000 0.729 494 K HN 0.558 nan 8.250 nan 0.000 0.451 495 M N -0.089 119.451 119.600 -0.100 0.000 2.134 495 M HA -0.120 4.364 4.480 0.008 0.000 0.262 495 M C 1.742 177.929 176.300 -0.188 0.000 1.076 495 M CA 1.183 56.369 55.300 -0.190 0.000 1.143 495 M CB 0.210 32.686 32.600 -0.206 0.000 1.346 495 M HN -0.054 nan 8.290 nan 0.000 0.421 496 V N 1.080 120.922 119.914 -0.119 0.000 2.568 496 V HA -0.311 3.813 4.120 0.008 0.000 0.253 496 V C 2.375 178.417 176.094 -0.087 0.000 1.072 496 V CA 1.698 63.938 62.300 -0.099 0.000 1.084 496 V CB -0.819 30.802 31.823 -0.337 0.000 0.676 496 V HN 0.562 nan 8.190 nan 0.000 0.469 497 M N -0.622 118.909 119.600 -0.116 0.000 2.132 497 M HA -0.177 4.308 4.480 0.008 0.000 0.263 497 M C 2.356 178.704 176.300 0.080 0.000 1.065 497 M CA 1.744 57.009 55.300 -0.059 0.000 1.122 497 M CB -0.432 32.101 32.600 -0.112 0.000 1.365 497 M HN 0.221 nan 8.290 nan 0.000 0.411 498 K N 0.451 120.871 120.400 0.032 0.000 2.026 498 K HA -0.119 4.205 4.320 0.008 0.000 0.208 498 K C 1.798 178.533 176.600 0.225 0.000 1.048 498 K CA 1.518 57.838 56.287 0.056 0.000 0.929 498 K CB -0.148 32.312 32.500 -0.067 0.000 0.713 498 K HN 0.184 nan 8.250 nan 0.000 0.439 499 F N -0.230 119.871 119.950 0.251 0.000 2.043 499 F HA -0.310 4.221 4.527 0.007 0.000 0.297 499 F C 2.424 178.471 175.800 0.411 0.000 1.121 499 F CA 0.848 59.073 58.000 0.375 0.000 1.199 499 F CB -0.275 39.086 39.000 0.600 0.000 0.968 499 F HN 0.296 nan 8.300 nan 0.000 0.478 500 W N 0.228 121.688 121.300 0.266 0.000 2.317 500 W HA -0.309 4.355 4.660 0.007 0.000 0.318 500 W C 2.653 179.215 176.519 0.072 0.000 1.227 500 W CA 0.965 58.373 57.345 0.105 0.000 1.269 500 W CB -0.662 28.796 29.460 -0.004 0.000 1.155 500 W HN 0.044 nan 8.180 nan 0.000 0.484 501 A N 0.547 123.534 122.820 0.279 0.000 1.908 501 A HA -0.244 4.081 4.320 0.008 0.000 0.218 501 A C 1.758 179.417 177.584 0.125 0.000 1.181 501 A CA 1.952 54.070 52.037 0.135 0.000 0.627 501 A CB -1.090 17.968 19.000 0.097 0.000 0.818 501 A HN 0.284 nan 8.150 nan 0.000 0.445 502 N N -0.921 117.885 118.700 0.177 0.000 2.084 502 N HA -0.154 4.590 4.740 0.008 0.000 0.190 502 N C 1.480 177.044 175.510 0.089 0.000 1.030 502 N CA 1.585 54.717 53.050 0.137 0.000 0.849 502 N CB -0.672 37.936 38.487 0.200 0.000 1.012 502 N HN 0.516 nan 8.380 nan 0.000 0.423 503 F N 1.839 121.759 119.950 -0.050 0.000 2.154 503 F HA -0.183 4.348 4.527 0.007 0.000 0.301 503 F C 2.159 177.894 175.800 -0.109 0.000 1.087 503 F CA 1.384 59.283 58.000 -0.168 0.000 1.274 503 F CB -0.261 38.545 39.000 -0.324 0.000 1.009 503 F HN 0.046 nan 8.300 nan 0.000 0.485 504 A N 0.038 122.855 122.820 -0.006 0.000 1.969 504 A HA -0.098 4.226 4.320 0.008 0.000 0.218 504 A C 2.333 179.859 177.584 -0.097 0.000 1.169 504 A CA 1.343 53.340 52.037 -0.068 0.000 0.635 504 A CB -0.516 18.470 19.000 -0.023 0.000 0.810 504 A HN 0.440 nan 8.150 nan 0.000 0.445 505 R N -0.357 120.101 120.500 -0.070 0.000 2.051 505 R HA 0.001 4.345 4.340 0.008 0.000 0.225 505 R C 1.266 177.507 176.300 -0.098 0.000 1.155 505 R CA 1.440 57.505 56.100 -0.058 0.000 0.945 505 R CB -0.205 30.087 30.300 -0.014 0.000 0.840 505 R HN 0.564 nan 8.270 nan 0.000 0.432 506 N N -1.112 117.523 118.700 -0.109 0.000 2.282 506 N HA 0.062 4.807 4.740 0.008 0.000 0.185 506 N C 0.857 176.252 175.510 -0.192 0.000 1.099 506 N CA 0.947 53.931 53.050 -0.111 0.000 0.878 506 N CB 1.474 39.931 38.487 -0.050 0.000 0.993 506 N HN 0.424 nan 8.380 nan 0.000 0.481 507 G N 1.344 109.916 108.800 -0.380 0.000 2.157 507 G HA2 -0.247 3.717 3.960 0.008 0.000 0.248 507 G HA3 -0.247 3.717 3.960 0.008 0.000 0.248 507 G C -0.197 174.465 174.900 -0.396 0.000 0.979 507 G CA 0.015 44.717 45.100 -0.662 0.000 0.650 507 G HN 0.459 nan 8.290 nan 0.000 0.529 508 N N 0.167 118.741 118.700 -0.210 0.000 2.461 508 N HA 0.411 5.156 4.740 0.008 0.000 0.284 508 N C -1.082 174.342 175.510 -0.142 0.000 1.049 508 N CA -1.531 51.439 53.050 -0.132 0.000 0.889 508 N CB 2.455 40.952 38.487 0.015 0.000 1.365 508 N HN -0.025 nan 8.380 nan 0.000 0.499 509 P HA -0.131 nan 4.420 nan 0.000 0.219 509 P C -0.030 177.398 177.300 0.213 0.000 1.146 509 P CA 0.825 63.854 63.100 -0.118 0.000 0.808 509 P CB 0.277 31.580 31.700 -0.661 0.000 0.779 510 N N 0.646 119.417 118.700 0.118 0.000 2.273 510 N HA 0.231 4.976 4.740 0.008 0.000 0.227 510 N C 1.123 176.799 175.510 0.277 0.000 1.292 510 N CA 1.372 54.600 53.050 0.298 0.000 0.875 510 N CB 0.048 38.677 38.487 0.236 0.000 1.105 510 N HN 0.214 nan 8.380 nan 0.000 0.434 511 G N -0.586 108.379 108.800 0.275 0.000 2.320 511 G HA2 0.140 4.105 3.960 0.008 0.000 0.296 511 G HA3 0.140 4.105 3.960 0.008 0.000 0.296 511 G C -1.718 173.269 174.900 0.145 0.000 1.306 511 G CA -0.736 44.470 45.100 0.177 0.000 0.836 511 G HN 0.407 nan 8.290 nan 0.000 0.517 512 E N -0.199 120.057 120.200 0.093 0.000 2.289 512 E HA 0.448 4.803 4.350 0.008 0.000 0.278 512 E C 0.970 177.595 176.600 0.042 0.000 1.032 512 E CA 0.662 57.103 56.400 0.069 0.000 0.854 512 E CB 1.275 31.006 29.700 0.052 0.000 1.046 512 E HN 1.778 nan 8.360 nan 0.000 0.409 513 G N 2.915 111.738 108.800 0.038 0.000 2.157 513 G HA2 -0.261 3.704 3.960 0.008 0.000 0.239 513 G HA3 -0.261 3.704 3.960 0.008 0.000 0.239 513 G C -0.082 174.805 174.900 -0.022 0.000 0.982 513 G CA -0.244 44.860 45.100 0.007 0.000 0.650 513 G HN 0.386 nan 8.290 nan 0.000 0.527 514 L N 0.539 121.769 121.223 0.011 0.000 2.362 514 L HA 0.580 4.925 4.340 0.008 0.000 0.271 514 L C -1.928 175.054 176.870 0.187 0.000 1.002 514 L CA -2.415 52.410 54.840 -0.024 0.000 0.818 514 L CB 1.941 43.905 42.059 -0.158 0.000 1.298 514 L HN -0.127 nan 8.230 nan 0.000 0.420 515 P HA 0.018 nan 4.420 nan 0.000 0.270 515 P C -1.066 176.472 177.300 0.396 0.000 1.227 515 P CA -0.212 63.055 63.100 0.278 0.000 0.788 515 P CB 0.289 32.121 31.700 0.219 0.000 0.926 516 H N 0.720 119.916 119.070 0.209 0.000 2.690 516 H HA 0.217 4.777 4.556 0.008 0.000 0.314 516 H C -1.116 174.343 175.328 0.219 0.000 1.069 516 H CA -0.129 56.050 56.048 0.218 0.000 1.436 516 H CB 0.191 30.046 29.762 0.156 0.000 1.462 516 H HN 0.333 nan 8.280 nan 0.000 0.511 517 W N 9.794 130.749 121.300 -0.576 0.000 2.282 517 W HA 0.305 4.970 4.660 0.008 0.000 0.322 517 W C -2.701 173.592 176.519 -0.377 0.000 1.011 517 W CA -3.228 53.867 57.345 -0.417 0.000 1.392 517 W CB 0.768 29.943 29.460 -0.475 0.000 1.215 517 W HN 0.573 nan 8.180 nan 0.000 0.394 518 P HA -0.030 nan 4.420 nan 0.000 0.267 518 P C -0.262 177.248 177.300 0.350 0.000 1.205 518 P CA 0.326 63.570 63.100 0.241 0.000 0.765 518 P CB 0.948 32.779 31.700 0.218 0.000 0.828 519 E N 3.348 123.658 120.200 0.183 0.000 2.351 519 E HA -0.084 4.270 4.350 0.008 0.000 0.266 519 E C -0.771 175.757 176.600 -0.119 0.000 1.031 519 E CA -0.452 55.788 56.400 -0.267 0.000 0.911 519 E CB -0.003 29.540 29.700 -0.262 0.000 0.986 519 E HN 0.368 nan 8.360 nan 0.000 0.446 520 Y N 6.700 126.852 120.300 -0.246 0.000 2.643 520 Y HA -0.052 4.503 4.550 0.008 0.000 0.353 520 Y C -0.144 175.709 175.900 -0.079 0.000 1.257 520 Y CA 0.223 58.285 58.100 -0.064 0.000 1.779 520 Y CB -0.548 37.890 38.460 -0.036 0.000 1.495 520 Y HN 0.578 nan 8.280 nan 0.000 0.466 521 N N 0.548 119.114 118.700 -0.225 0.000 3.084 521 N HA 0.114 4.858 4.740 0.008 0.000 0.336 521 N C 0.724 176.095 175.510 -0.231 0.000 1.391 521 N CA -0.282 52.671 53.050 -0.160 0.000 0.712 521 N CB 0.106 38.538 38.487 -0.092 0.000 1.248 521 N HN 0.250 nan 8.380 nan 0.000 0.545 522 Q N -0.460 119.263 119.800 -0.129 0.000 2.226 522 Q HA -0.023 4.321 4.340 0.008 0.000 0.204 522 Q C 1.080 177.004 176.000 -0.127 0.000 0.975 522 Q CA 1.328 57.065 55.803 -0.109 0.000 0.866 522 Q CB -0.352 28.353 28.738 -0.055 0.000 0.915 522 Q HN 0.486 nan 8.270 nan 0.000 0.440 523 K N 0.852 121.178 120.400 -0.124 0.000 2.365 523 K HA -0.052 4.272 4.320 0.008 0.000 0.199 523 K C 0.108 176.623 176.600 -0.142 0.000 1.045 523 K CA 0.148 56.380 56.287 -0.090 0.000 0.962 523 K CB 0.112 32.587 32.500 -0.042 0.000 0.759 523 K HN 0.223 nan 8.250 nan 0.000 0.469 524 E N -0.538 119.454 120.200 -0.347 0.000 2.297 524 E HA -0.179 4.176 4.350 0.008 0.000 0.228 524 E C -0.016 176.491 176.600 -0.155 0.000 1.213 524 E CA 0.267 56.289 56.400 -0.631 0.000 0.712 524 E CB -1.626 27.857 29.700 -0.361 0.000 1.202 524 E HN 0.453 nan 8.360 nan 0.000 0.376 525 G N 0.317 109.098 108.800 -0.032 0.000 2.425 525 G HA2 0.538 4.502 3.960 0.008 0.000 0.302 525 G HA3 0.538 4.502 3.960 0.008 0.000 0.302 525 G C -0.424 174.743 174.900 0.445 0.000 1.159 525 G CA -0.180 45.032 45.100 0.187 0.000 0.865 525 G HN 0.276 nan 8.290 nan 0.000 0.515 526 Y N -0.567 119.884 120.300 0.251 0.000 2.818 526 Y HA 0.773 5.328 4.550 0.008 0.000 0.322 526 Y C -1.458 174.500 175.900 0.098 0.000 1.323 526 Y CA -1.785 56.506 58.100 0.319 0.000 1.090 526 Y CB 1.686 40.325 38.460 0.299 0.000 1.328 526 Y HN 0.591 nan 8.280 nan 0.000 0.482 527 L N 2.010 123.243 121.223 0.018 0.000 2.333 527 L HA 0.480 4.825 4.340 0.008 0.000 0.280 527 L C -1.146 175.647 176.870 -0.127 0.000 1.004 527 L CA -0.779 53.792 54.840 -0.448 0.000 0.820 527 L CB 1.998 43.197 42.059 -1.434 0.000 1.247 527 L HN 0.742 nan 8.230 nan 0.000 0.416 528 Q N 6.239 125.941 119.800 -0.163 0.000 2.441 528 Q HA 0.415 4.760 4.340 0.008 0.000 0.234 528 Q C -0.706 175.252 176.000 -0.070 0.000 1.078 528 Q CA -0.211 55.596 55.803 0.006 0.000 0.907 528 Q CB 0.989 29.722 28.738 -0.009 0.000 1.269 528 Q HN 0.627 nan 8.270 nan 0.000 0.502 529 I N 1.215 121.748 120.570 -0.062 0.000 2.581 529 I HA 0.527 4.702 4.170 0.008 0.000 0.288 529 I C 0.986 176.944 176.117 -0.264 0.000 1.047 529 I CA 0.195 61.408 61.300 -0.144 0.000 1.374 529 I CB 1.131 39.069 38.000 -0.103 0.000 1.423 529 I HN 0.777 nan 8.210 nan 0.000 0.549 530 G N 2.746 111.377 108.800 -0.282 0.000 2.347 530 G HA2 0.190 4.155 3.960 0.008 0.000 0.224 530 G HA3 0.190 4.155 3.960 0.008 0.000 0.224 530 G C 0.284 175.108 174.900 -0.127 0.000 1.318 530 G CA 0.014 44.944 45.100 -0.284 0.000 1.016 530 G HN 0.703 nan 8.290 nan 0.000 0.469 531 A N 0.160 123.004 122.820 0.039 0.000 1.848 531 A HA -0.022 4.303 4.320 0.008 0.000 0.217 531 A C 1.276 178.851 177.584 -0.016 0.000 1.220 531 A CA 2.274 54.345 52.037 0.056 0.000 0.645 531 A CB -0.892 18.147 19.000 0.065 0.000 0.842 531 A HN 1.048 nan 8.150 nan 0.000 0.451 532 N N 0.052 118.741 118.700 -0.018 0.000 2.485 532 N HA 0.264 5.009 4.740 0.008 0.000 0.243 532 N C -1.234 174.251 175.510 -0.042 0.000 0.987 532 N CA -0.220 52.815 53.050 -0.026 0.000 0.940 532 N CB 0.476 38.954 38.487 -0.016 0.000 1.122 532 N HN 0.236 nan 8.380 nan 0.000 0.509 533 T N 3.814 118.340 114.554 -0.047 0.000 2.987 533 T HA 0.078 4.432 4.350 0.008 0.000 0.288 533 T C -0.092 174.582 174.700 -0.043 0.000 0.981 533 T CA -0.217 61.851 62.100 -0.053 0.000 1.031 533 T CB 0.021 68.875 68.868 -0.024 0.000 0.976 533 T HN 0.583 nan 8.240 nan 0.000 0.612 534 Q N 1.404 121.162 119.800 -0.071 0.000 2.458 534 Q HA 0.831 5.175 4.340 0.008 0.000 0.282 534 Q C -0.890 175.022 176.000 -0.146 0.000 1.106 534 Q CA -1.426 54.334 55.803 -0.072 0.000 0.814 534 Q CB 1.804 30.514 28.738 -0.048 0.000 1.425 534 Q HN 0.428 nan 8.270 nan 0.000 0.437 535 A N 0.493 123.234 122.820 -0.132 0.000 2.287 535 A HA 0.838 5.162 4.320 0.008 0.000 0.273 535 A C -0.511 176.908 177.584 -0.276 0.000 1.091 535 A CA 0.295 52.207 52.037 -0.207 0.000 0.817 535 A CB 0.633 19.584 19.000 -0.080 0.000 1.069 535 A HN 0.994 nan 8.150 nan 0.000 0.492 536 A N -0.182 122.356 122.820 -0.470 0.000 2.557 536 A HA 0.706 5.031 4.320 0.008 0.000 0.292 536 A C -1.050 176.339 177.584 -0.324 0.000 1.139 536 A CA -0.622 51.139 52.037 -0.460 0.000 0.665 536 A CB 0.935 19.535 19.000 -0.668 0.000 1.285 536 A HN 0.821 nan 8.150 nan 0.000 0.433 537 Q N 0.294 120.078 119.800 -0.027 0.000 2.458 537 Q HA 0.522 4.867 4.340 0.008 0.000 0.282 537 Q C -1.312 174.889 176.000 0.336 0.000 1.106 537 Q CA -1.132 54.772 55.803 0.168 0.000 0.814 537 Q CB 1.727 30.513 28.738 0.079 0.000 1.425 537 Q HN 0.654 nan 8.270 nan 0.000 0.437 538 K N 1.237 121.800 120.400 0.271 0.000 5.587 538 K HA -0.218 4.107 4.320 0.008 0.000 0.436 538 K C -0.866 175.873 176.600 0.232 0.000 1.020 538 K CA 0.036 56.452 56.287 0.215 0.000 1.212 538 K CB -0.923 31.658 32.500 0.135 0.000 1.905 538 K HN 0.380 nan 8.250 nan 0.000 0.351 539 L N 3.718 125.024 121.223 0.138 0.000 2.278 539 L HA 0.142 4.487 4.340 0.008 0.000 0.287 539 L C 0.679 177.537 176.870 -0.019 0.000 1.072 539 L CA 0.294 55.058 54.840 -0.127 0.000 0.819 539 L CB 0.723 42.482 42.059 -0.500 0.000 1.176 539 L HN 0.461 nan 8.230 nan 0.000 0.435 540 K N 2.306 122.714 120.400 0.014 0.000 3.281 540 K HA -0.313 4.012 4.320 0.008 0.000 0.308 540 K C 1.140 177.799 176.600 0.098 0.000 1.218 540 K CA 1.291 57.616 56.287 0.064 0.000 0.923 540 K CB -1.365 31.169 32.500 0.055 0.000 1.222 540 K HN 0.957 nan 8.250 nan 0.000 0.440 541 D N 1.265 121.722 120.400 0.095 0.000 2.230 541 D HA -0.218 4.427 4.640 0.008 0.000 0.189 541 D C 1.675 178.039 176.300 0.107 0.000 1.006 541 D CA 2.226 56.289 54.000 0.105 0.000 0.853 541 D CB 0.104 40.963 40.800 0.098 0.000 0.959 541 D HN 0.376 nan 8.370 nan 0.000 0.449 542 K N 0.246 120.697 120.400 0.085 0.000 2.089 542 K HA -0.211 4.114 4.320 0.008 0.000 0.210 542 K C 2.153 178.818 176.600 0.108 0.000 1.048 542 K CA 1.785 58.112 56.287 0.067 0.000 0.926 542 K CB -0.096 32.416 32.500 0.021 0.000 0.714 542 K HN 0.132 nan 8.250 nan 0.000 0.448 543 E N -0.576 119.712 120.200 0.148 0.000 2.028 543 E HA -0.123 4.232 4.350 0.008 0.000 0.191 543 E C 1.938 178.795 176.600 0.428 0.000 0.988 543 E CA 1.308 57.885 56.400 0.295 0.000 0.799 543 E CB -0.304 29.589 29.700 0.323 0.000 0.755 543 E HN 0.029 nan 8.360 nan 0.000 0.447 544 V N 1.622 121.709 119.914 0.288 0.000 2.222 544 V HA -0.385 3.739 4.120 0.008 0.000 0.252 544 V C 2.313 178.561 176.094 0.257 0.000 1.060 544 V CA 2.235 64.690 62.300 0.258 0.000 1.027 544 V CB -1.245 30.674 31.823 0.159 0.000 0.644 544 V HN 0.403 nan 8.190 nan 0.000 0.448 545 A N -0.396 122.537 122.820 0.188 0.000 1.940 545 A HA -0.335 3.990 4.320 0.008 0.000 0.221 545 A C 2.121 179.786 177.584 0.135 0.000 1.190 545 A CA 2.564 54.685 52.037 0.140 0.000 0.647 545 A CB -0.912 18.155 19.000 0.112 0.000 0.821 545 A HN 0.606 nan 8.150 nan 0.000 0.457 546 F N -1.106 118.839 119.950 -0.010 0.000 2.161 546 F HA -0.177 4.355 4.527 0.008 0.000 0.300 546 F C 1.766 177.400 175.800 -0.277 0.000 1.089 546 F CA 1.704 59.600 58.000 -0.173 0.000 1.282 546 F CB -0.423 38.408 39.000 -0.281 0.000 1.010 546 F HN 0.395 nan 8.300 nan 0.000 0.485 547 W N -0.134 121.075 121.300 -0.152 0.000 2.737 547 W HA 0.071 4.736 4.660 0.008 0.000 0.262 547 W C 2.260 178.662 176.519 -0.195 0.000 1.282 547 W CA 1.080 58.195 57.345 -0.382 0.000 1.386 547 W CB -0.924 28.340 29.460 -0.326 0.000 1.099 547 W HN -0.240 nan 8.180 nan 0.000 0.621 548 T N 0.283 114.905 114.554 0.113 0.000 3.098 548 T HA -0.115 4.240 4.350 0.008 0.000 0.266 548 T C 1.338 176.066 174.700 0.048 0.000 1.145 548 T CA 1.092 63.258 62.100 0.109 0.000 1.092 548 T CB -0.194 68.731 68.868 0.096 0.000 0.908 548 T HN 0.210 nan 8.240 nan 0.000 0.526 549 N N -0.053 118.616 118.700 -0.051 0.000 2.612 549 N HA 0.174 4.919 4.740 0.008 0.000 0.224 549 N C 1.491 176.933 175.510 -0.114 0.000 1.051 549 N CA 0.057 53.062 53.050 -0.076 0.000 0.889 549 N CB -0.072 38.351 38.487 -0.106 0.000 1.449 549 N HN 0.152 nan 8.380 nan 0.000 0.442 550 L N 0.980 122.015 121.223 -0.313 0.000 2.079 550 L HA 0.053 4.397 4.340 0.008 0.000 0.210 550 L C 1.465 178.364 176.870 0.047 0.000 1.081 550 L CA 1.538 56.189 54.840 -0.315 0.000 0.752 550 L CB -0.614 40.964 42.059 -0.802 0.000 0.896 550 L HN 0.137 nan 8.230 nan 0.000 0.433 551 F N -1.487 118.456 119.950 -0.012 0.000 2.811 551 F HA 0.119 4.651 4.527 0.008 0.000 0.301 551 F C 1.690 177.504 175.800 0.024 0.000 1.151 551 F CA 0.039 58.074 58.000 0.059 0.000 1.412 551 F CB 0.073 39.140 39.000 0.112 0.000 1.113 551 F HN 0.243 nan 8.300 nan 0.000 0.579 552 A N 0.243 123.166 122.820 0.172 0.000 2.538 552 A HA 0.252 4.576 4.320 0.008 0.000 0.269 552 A C 0.485 178.102 177.584 0.055 0.000 1.231 552 A CA -0.217 51.873 52.037 0.089 0.000 0.948 552 A CB 0.021 19.059 19.000 0.063 0.000 1.110 552 A HN 0.255 nan 8.150 nan 0.000 0.529 553 K N 0.000 120.438 120.400 0.063 0.000 2.780 553 K HA 0.000 4.325 4.320 0.008 0.000 0.191 553 K CA 0.000 56.309 56.287 0.037 0.000 0.838 553 K CB 0.000 32.522 32.500 0.036 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543