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 3h70_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLKLTALHFY KYSEPFKSQI VTPKVTLTHR DCLFIELIDD KGNAYFGECN DATA SEQUENCE AFQTDWYDHE TIASVKHVIE QWFEDNRNKS FETYEAALKL VDSLENTPAA DATA SEQUENCE RATIVMALYQ MFHVLPSFSV AYGATASGLS NKQLESLKAT KPTRIKLKWT DATA SEQUENCE PQIMHQIRVL RELDFHFQLV IDANESLDRQ DFTQLQLLAR EQVLYIEEPF DATA SEQUENCE KDISMLDEVA DGTIPPIALD EKATSLLDII NLIELYNVKV VVLKPFRLGG DATA SEQUENCE IDKVQTAIDT LKSHGAKVVI GGMYEYGLSR YFTAMLARKG DYPGDVTPAG DATA SEQUENCE YYFEQDVVAH SGILKEGRLE FRPPLVDITQ LQPYEGHHHH HH 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.521 174.600 -0.132 0.000 1.055 0 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 0 S CB 0.000 63.166 63.200 -0.056 0.000 0.593 1 L N 2.235 123.272 121.223 -0.309 0.000 2.393 1 L HA 0.706 4.988 4.340 -0.097 0.000 0.260 1 L C -0.870 175.569 176.870 -0.718 0.000 1.002 1 L CA -0.853 53.704 54.840 -0.471 0.000 0.818 1 L CB 2.450 44.204 42.059 -0.508 0.000 1.369 1 L HN 0.610 nan 8.230 nan 0.000 0.412 2 K N 2.464 122.615 120.400 -0.414 0.000 2.498 2 K HA 0.601 4.863 4.320 -0.097 0.000 0.254 2 K C -1.529 175.037 176.600 -0.057 0.000 0.933 2 K CA -0.711 55.422 56.287 -0.256 0.000 0.806 2 K CB 2.934 35.350 32.500 -0.140 0.000 1.301 2 K HN 0.399 nan 8.250 nan 0.000 0.432 3 L N 2.539 123.818 121.223 0.092 0.000 2.265 3 L HA 0.234 4.516 4.340 -0.097 0.000 0.288 3 L C 1.372 178.360 176.870 0.197 0.000 1.058 3 L CA -0.203 54.774 54.840 0.228 0.000 0.809 3 L CB 1.052 43.355 42.059 0.407 0.000 1.179 3 L HN 0.916 nan 8.230 nan 0.000 0.429 4 T N -0.996 113.679 114.554 0.202 0.000 2.990 4 T HA 0.412 4.704 4.350 -0.097 0.000 0.249 4 T C 0.477 175.360 174.700 0.306 0.000 1.039 4 T CA 0.285 62.495 62.100 0.185 0.000 1.036 4 T CB 0.606 69.524 68.868 0.083 0.000 0.994 4 T HN 0.555 nan 8.240 nan 0.000 0.489 5 A N 0.644 123.574 122.820 0.185 0.000 2.556 5 A HA 0.809 5.071 4.320 -0.097 0.000 0.294 5 A C -1.982 175.185 177.584 -0.694 0.000 1.091 5 A CA -0.909 51.030 52.037 -0.162 0.000 0.704 5 A CB 1.778 20.649 19.000 -0.216 0.000 1.300 5 A HN 0.517 nan 8.150 nan 0.000 0.406 6 L N 1.569 122.108 121.223 -1.140 0.000 2.436 6 L HA 0.758 5.040 4.340 -0.097 0.000 0.268 6 L C -1.624 174.622 176.870 -1.039 0.000 0.974 6 L CA -0.100 54.036 54.840 -1.173 0.000 0.826 6 L CB 1.849 42.958 42.059 -1.584 0.000 1.291 6 L HN 0.772 nan 8.230 nan 0.000 0.406 7 H N 4.247 122.981 119.070 -0.561 0.000 2.717 7 H HA 0.525 5.020 4.556 -0.102 0.000 0.366 7 H C -1.446 173.484 175.328 -0.663 0.000 1.132 7 H CA -0.437 55.304 56.048 -0.512 0.000 1.180 7 H CB 1.763 31.309 29.762 -0.360 0.000 1.678 7 H HN 0.463 nan 8.280 nan 0.000 0.537 8 F N 1.756 121.570 119.950 -0.226 0.000 2.469 8 F HA 0.408 4.879 4.527 -0.094 0.000 0.332 8 F C -0.382 175.247 175.800 -0.285 0.000 1.103 8 F CA -0.473 57.427 58.000 -0.168 0.000 0.979 8 F CB 1.038 39.944 39.000 -0.158 0.000 1.137 8 F HN 0.361 nan 8.300 nan 0.000 0.463 9 Y N 0.718 121.257 120.300 0.397 0.000 2.605 9 Y HA 0.564 5.072 4.550 -0.070 0.000 0.343 9 Y C -0.424 175.701 175.900 0.375 0.000 1.036 9 Y CA -1.315 56.985 58.100 0.333 0.000 1.065 9 Y CB 2.201 40.806 38.460 0.243 0.000 1.288 9 Y HN 0.388 nan 8.280 nan 0.000 0.481 10 K N 0.775 121.464 120.400 0.480 0.000 2.375 10 K HA 0.540 4.802 4.320 -0.097 0.000 0.249 10 K C -2.362 174.448 176.600 0.351 0.000 0.942 10 K CA -0.774 55.760 56.287 0.411 0.000 0.806 10 K CB 2.043 34.716 32.500 0.288 0.000 1.227 10 K HN 0.689 nan 8.250 nan 0.000 0.430 11 Y N 0.775 121.168 120.300 0.155 0.000 2.457 11 Y HA 0.426 4.932 4.550 -0.073 0.000 0.343 11 Y C -1.330 174.570 175.900 -0.000 0.000 0.994 11 Y CA -0.606 57.455 58.100 -0.064 0.000 1.031 11 Y CB 2.401 40.663 38.460 -0.330 0.000 1.246 11 Y HN 0.502 nan 8.280 nan 0.000 0.449 12 S N 5.110 120.569 115.700 -0.402 0.000 2.381 12 S HA 0.365 4.777 4.470 -0.097 0.000 0.193 12 S C -1.624 172.827 174.600 -0.247 0.000 1.287 12 S CA -0.654 57.431 58.200 -0.190 0.000 1.199 12 S CB -0.099 63.079 63.200 -0.036 0.000 1.214 12 S HN 0.632 nan 8.310 nan 0.000 0.444 13 E N 3.966 123.945 120.200 -0.369 0.000 2.277 13 E HA 0.461 4.753 4.350 -0.097 0.000 0.274 13 E C -2.506 174.043 176.600 -0.085 0.000 1.022 13 E CA -2.381 53.873 56.400 -0.244 0.000 0.853 13 E CB 1.090 30.593 29.700 -0.328 0.000 1.086 13 E HN 0.403 nan 8.360 nan 0.000 0.397 14 P HA 0.170 nan 4.420 nan 0.000 0.278 14 P C -0.485 176.770 177.300 -0.075 0.000 1.238 14 P CA -0.264 62.580 63.100 -0.425 0.000 0.794 14 P CB 0.402 31.817 31.700 -0.475 0.000 0.955 15 F N 1.702 121.634 119.950 -0.030 0.000 2.443 15 F HA 0.155 4.627 4.527 -0.093 0.000 0.353 15 F C 2.125 177.892 175.800 -0.054 0.000 1.101 15 F CA 0.274 58.273 58.000 -0.003 0.000 1.226 15 F CB 0.443 39.383 39.000 -0.100 0.000 1.140 15 F HN 0.303 nan 8.300 nan 0.000 0.557 16 K N 0.739 121.214 120.400 0.125 0.000 2.032 16 K HA -0.084 4.178 4.320 -0.097 0.000 0.209 16 K C 0.246 176.855 176.600 0.015 0.000 1.048 16 K CA 1.198 57.504 56.287 0.032 0.000 0.927 16 K CB -0.080 32.403 32.500 -0.028 0.000 0.712 16 K HN 0.431 nan 8.250 nan 0.000 0.441 17 S N 0.956 116.668 115.700 0.020 0.000 2.449 17 S HA 0.122 4.534 4.470 -0.097 0.000 0.310 17 S C -0.767 173.814 174.600 -0.031 0.000 1.096 17 S CA -0.727 57.459 58.200 -0.023 0.000 1.095 17 S CB 1.853 65.016 63.200 -0.062 0.000 1.007 17 S HN 0.167 nan 8.310 nan 0.000 0.474 18 Q N 3.058 122.827 119.800 -0.052 0.000 2.304 18 Q HA 0.046 4.328 4.340 -0.097 0.000 0.301 18 Q C -0.597 175.271 176.000 -0.220 0.000 1.063 18 Q CA 0.179 55.920 55.803 -0.102 0.000 0.947 18 Q CB 0.315 29.007 28.738 -0.076 0.000 1.201 18 Q HN 0.472 nan 8.270 nan 0.000 0.389 19 I N 5.143 125.462 120.570 -0.417 0.000 2.396 19 I HA 0.140 4.252 4.170 -0.097 0.000 0.289 19 I C -0.433 175.475 176.117 -0.348 0.000 1.056 19 I CA -0.099 60.893 61.300 -0.513 0.000 1.365 19 I CB 0.838 38.250 38.000 -0.980 0.000 1.407 19 I HN 0.395 nan 8.210 nan 0.000 0.509 20 V N 6.206 125.980 119.914 -0.233 0.000 2.447 20 V HA 0.494 4.555 4.120 -0.097 0.000 0.292 20 V C 0.117 176.134 176.094 -0.127 0.000 1.021 20 V CA -0.474 61.722 62.300 -0.173 0.000 0.850 20 V CB 1.759 33.515 31.823 -0.112 0.000 1.005 20 V HN 0.925 nan 8.190 nan 0.000 0.426 21 T N 2.007 116.475 114.554 -0.143 0.000 2.865 21 T HA 0.582 4.874 4.350 -0.097 0.000 0.294 21 T C -2.352 172.314 174.700 -0.058 0.000 1.119 21 T CA -1.858 60.198 62.100 -0.074 0.000 1.007 21 T CB 2.381 71.219 68.868 -0.049 0.000 1.225 21 T HN 0.248 nan 8.240 nan 0.000 0.515 22 P HA 0.059 nan 4.420 nan 0.000 0.219 22 P C 1.047 178.357 177.300 0.017 0.000 1.146 22 P CA 0.954 64.059 63.100 0.008 0.000 0.808 22 P CB 0.116 31.835 31.700 0.031 0.000 0.779 23 K N -1.490 118.934 120.400 0.040 0.000 2.262 23 K HA 0.215 4.477 4.320 -0.097 0.000 0.200 23 K C 0.549 177.133 176.600 -0.026 0.000 1.049 23 K CA 0.346 56.696 56.287 0.104 0.000 0.979 23 K CB 0.458 33.142 32.500 0.306 0.000 0.773 23 K HN 0.003 nan 8.250 nan 0.000 0.474 24 V N -0.211 119.554 119.914 -0.248 0.000 3.278 24 V HA 0.178 4.240 4.120 -0.097 0.000 0.288 24 V C -1.926 173.894 176.094 -0.458 0.000 1.514 24 V CA -0.728 61.276 62.300 -0.493 0.000 1.051 24 V CB 2.486 33.541 31.823 -1.280 0.000 1.163 24 V HN -0.041 nan 8.190 nan 0.000 0.458 25 T N 5.254 119.566 114.554 -0.403 0.000 2.812 25 T HA 0.698 4.990 4.350 -0.097 0.000 0.282 25 T C -0.935 173.561 174.700 -0.339 0.000 0.990 25 T CA -0.227 61.687 62.100 -0.309 0.000 0.960 25 T CB 0.886 69.648 68.868 -0.177 0.000 0.948 25 T HN 0.526 nan 8.240 nan 0.000 0.438 26 L N 3.165 124.171 121.223 -0.363 0.000 2.376 26 L HA 0.423 4.704 4.340 -0.097 0.000 0.275 26 L C 1.511 178.348 176.870 -0.056 0.000 0.987 26 L CA -0.763 53.931 54.840 -0.242 0.000 0.828 26 L CB 2.080 43.889 42.059 -0.417 0.000 1.249 26 L HN 0.802 nan 8.230 nan 0.000 0.409 27 T N -2.569 112.064 114.554 0.132 0.000 3.039 27 T HA 0.166 4.458 4.350 -0.097 0.000 0.250 27 T C 0.523 175.324 174.700 0.168 0.000 1.052 27 T CA 0.478 62.680 62.100 0.169 0.000 1.125 27 T CB 0.047 69.061 68.868 0.244 0.000 0.908 27 T HN 0.506 nan 8.240 nan 0.000 0.473 28 H N -0.016 119.208 119.070 0.257 0.000 2.946 28 H HA 0.774 5.271 4.556 -0.099 0.000 0.365 28 H C -0.965 174.458 175.328 0.159 0.000 1.197 28 H CA -1.087 55.045 56.048 0.139 0.000 1.131 28 H CB 1.426 31.223 29.762 0.057 0.000 1.849 28 H HN 0.005 nan 8.280 nan 0.000 0.555 29 R N 1.627 122.150 120.500 0.038 0.000 2.423 29 R HA 0.212 4.494 4.340 -0.097 0.000 0.293 29 R C -1.298 175.131 176.300 0.215 0.000 1.196 29 R CA -0.515 55.651 56.100 0.109 0.000 1.262 29 R CB -0.488 29.669 30.300 -0.238 0.000 1.116 29 R HN 0.545 nan 8.270 nan 0.000 0.566 30 D N 2.263 122.826 120.400 0.271 0.000 2.424 30 D HA 0.066 4.648 4.640 -0.097 0.000 0.244 30 D C -0.584 175.871 176.300 0.258 0.000 1.134 30 D CA 0.436 54.578 54.000 0.237 0.000 0.881 30 D CB 1.186 42.113 40.800 0.211 0.000 1.191 30 D HN 0.420 nan 8.370 nan 0.000 0.445 31 C N 3.421 122.893 119.300 0.287 0.000 2.782 31 C HA 0.449 4.851 4.460 -0.097 0.000 0.328 31 C C -0.935 174.193 174.990 0.231 0.000 1.145 31 C CA -0.846 58.310 59.018 0.230 0.000 1.358 31 C CB 0.812 28.805 27.740 0.422 0.000 1.841 31 C HN 0.580 nan 8.230 nan 0.000 0.477 32 L N 5.117 126.360 121.223 0.035 0.000 2.312 32 L HA 0.749 5.031 4.340 -0.097 0.000 0.281 32 L C -1.062 175.786 176.870 -0.038 0.000 1.070 32 L CA 0.499 55.377 54.840 0.064 0.000 0.805 32 L CB 0.580 42.587 42.059 -0.087 0.000 1.174 32 L HN 0.644 nan 8.230 nan 0.000 0.434 33 F N 5.192 125.266 119.950 0.207 0.000 2.532 33 F HA 0.600 5.075 4.527 -0.087 0.000 0.321 33 F C 0.121 176.109 175.800 0.314 0.000 1.089 33 F CA -0.670 57.478 58.000 0.246 0.000 0.926 33 F CB 1.750 40.898 39.000 0.247 0.000 1.168 33 F HN 0.450 nan 8.300 nan 0.000 0.459 34 I N -0.549 120.252 120.570 0.385 0.000 2.797 34 I HA 0.694 4.806 4.170 -0.097 0.000 0.307 34 I C -1.286 174.934 176.117 0.173 0.000 1.033 34 I CA -0.672 60.727 61.300 0.165 0.000 1.071 34 I CB 2.312 40.287 38.000 -0.041 0.000 1.255 34 I HN 0.635 nan 8.210 nan 0.000 0.445 35 E N 5.277 125.451 120.200 -0.042 0.000 2.244 35 E HA 0.513 4.805 4.350 -0.097 0.000 0.260 35 E C -2.012 174.420 176.600 -0.279 0.000 0.884 35 E CA -0.693 55.535 56.400 -0.287 0.000 0.777 35 E CB 2.050 31.625 29.700 -0.209 0.000 1.197 35 E HN 0.725 nan 8.360 nan 0.000 0.416 36 L N 5.817 126.921 121.223 -0.198 0.000 2.307 36 L HA 0.553 4.835 4.340 -0.097 0.000 0.284 36 L C -0.369 176.495 176.870 -0.009 0.000 1.023 36 L CA -0.820 53.962 54.840 -0.097 0.000 0.810 36 L CB 1.493 43.589 42.059 0.062 0.000 1.231 36 L HN 0.542 nan 8.230 nan 0.000 0.423 37 I N 2.379 122.937 120.570 -0.020 0.000 2.406 37 I HA 0.235 4.347 4.170 -0.097 0.000 0.290 37 I C -0.337 175.840 176.117 0.101 0.000 0.999 37 I CA -0.833 60.488 61.300 0.035 0.000 1.124 37 I CB 1.773 39.767 38.000 -0.011 0.000 1.289 37 I HN 0.587 nan 8.210 nan 0.000 0.441 38 D N 4.448 124.930 120.400 0.136 0.000 2.447 38 D HA -0.014 4.567 4.640 -0.097 0.000 0.265 38 D C 0.745 177.075 176.300 0.050 0.000 1.250 38 D CA -0.437 53.625 54.000 0.102 0.000 1.046 38 D CB 0.456 41.316 40.800 0.101 0.000 1.095 38 D HN 0.623 nan 8.370 nan 0.000 0.555 39 D N -1.099 119.307 120.400 0.010 0.000 2.392 39 D HA -0.156 4.426 4.640 -0.097 0.000 0.228 39 D C 0.581 176.880 176.300 -0.001 0.000 1.003 39 D CA 0.588 54.586 54.000 -0.003 0.000 0.917 39 D CB -0.132 40.648 40.800 -0.033 0.000 0.890 39 D HN 0.411 nan 8.370 nan 0.000 0.532 40 K N -0.424 119.980 120.400 0.006 0.000 2.373 40 K HA 0.282 4.543 4.320 -0.097 0.000 0.202 40 K C 0.896 177.500 176.600 0.006 0.000 1.025 40 K CA 0.294 56.583 56.287 0.003 0.000 1.115 40 K CB 0.974 33.475 32.500 0.001 0.000 0.858 40 K HN 0.173 nan 8.250 nan 0.000 0.525 41 G N 2.056 110.864 108.800 0.013 0.000 2.147 41 G HA2 -0.213 3.688 3.960 -0.097 0.000 0.244 41 G HA3 -0.213 3.688 3.960 -0.097 0.000 0.244 41 G C -0.523 174.369 174.900 -0.014 0.000 1.005 41 G CA -0.326 44.778 45.100 0.007 0.000 0.713 41 G HN 0.263 nan 8.290 nan 0.000 0.515 42 N N 0.899 119.594 118.700 -0.009 0.000 2.444 42 N HA 0.588 5.270 4.740 -0.097 0.000 0.271 42 N C 0.318 175.734 175.510 -0.156 0.000 1.069 42 N CA 0.647 53.639 53.050 -0.096 0.000 0.965 42 N CB 1.631 40.086 38.487 -0.053 0.000 1.092 42 N HN 0.664 nan 8.380 nan 0.000 0.476 43 A N 2.786 125.429 122.820 -0.294 0.000 2.301 43 A HA 0.628 4.890 4.320 -0.097 0.000 0.312 43 A C -1.198 176.055 177.584 -0.551 0.000 1.182 43 A CA -0.380 51.467 52.037 -0.317 0.000 0.826 43 A CB 0.301 19.149 19.000 -0.255 0.000 1.134 43 A HN 0.627 nan 8.150 nan 0.000 0.501 44 Y N 0.534 120.696 120.300 -0.230 0.000 2.406 44 Y HA 0.574 5.083 4.550 -0.069 0.000 0.340 44 Y C -0.666 175.094 175.900 -0.233 0.000 0.975 44 Y CA -0.422 57.623 58.100 -0.093 0.000 1.056 44 Y CB 1.956 40.418 38.460 0.003 0.000 1.210 44 Y HN 0.624 nan 8.280 nan 0.000 0.448 45 F N 0.947 121.032 119.950 0.224 0.000 2.470 45 F HA 0.804 5.277 4.527 -0.090 0.000 0.329 45 F C 0.668 176.589 175.800 0.201 0.000 1.072 45 F CA -0.861 57.258 58.000 0.199 0.000 0.989 45 F CB 2.042 41.143 39.000 0.169 0.000 1.193 45 F HN 0.538 nan 8.300 nan 0.000 0.481 46 G N 0.952 109.971 108.800 0.365 0.000 2.591 46 G HA2 0.497 4.399 3.960 -0.097 0.000 0.306 46 G HA3 0.497 4.399 3.960 -0.097 0.000 0.306 46 G C -2.039 172.927 174.900 0.109 0.000 1.334 46 G CA -0.584 44.624 45.100 0.179 0.000 0.981 46 G HN 0.583 nan 8.290 nan 0.000 0.491 47 E N 0.898 121.068 120.200 -0.050 0.000 2.151 47 E HA 0.408 4.700 4.350 -0.097 0.000 0.275 47 E C -0.536 175.867 176.600 -0.328 0.000 0.936 47 E CA -0.695 55.446 56.400 -0.432 0.000 0.777 47 E CB 1.500 31.023 29.700 -0.295 0.000 1.108 47 E HN 0.487 nan 8.360 nan 0.000 0.401 48 C N 4.654 123.711 119.300 -0.405 0.000 2.452 48 C HA 0.345 4.747 4.460 -0.097 0.000 0.379 48 C C 0.765 175.504 174.990 -0.420 0.000 1.275 48 C CA -0.443 58.381 59.018 -0.322 0.000 2.056 48 C CB -0.412 27.174 27.740 -0.256 0.000 2.506 48 C HN 0.860 nan 8.230 nan 0.000 0.560 49 N N 2.515 120.893 118.700 -0.537 0.000 2.270 49 N HA 0.253 4.935 4.740 -0.097 0.000 0.198 49 N C 0.325 175.216 175.510 -1.033 0.000 1.117 49 N CA 0.205 52.740 53.050 -0.858 0.000 0.845 49 N CB 0.327 38.015 38.487 -1.331 0.000 0.980 49 N HN 0.830 nan 8.380 nan 0.000 0.486 50 A N -0.013 122.401 122.820 -0.677 0.000 2.351 50 A HA 0.501 4.763 4.320 -0.097 0.000 0.257 50 A C -0.291 176.956 177.584 -0.563 0.000 1.087 50 A CA -0.123 51.597 52.037 -0.528 0.000 0.798 50 A CB 0.156 18.994 19.000 -0.271 0.000 1.033 50 A HN 0.110 nan 8.150 nan 0.000 0.488 51 F N -0.940 118.976 119.950 -0.057 0.000 2.461 51 F HA 0.409 4.879 4.527 -0.094 0.000 0.332 51 F C 1.580 177.445 175.800 0.108 0.000 1.073 51 F CA -0.323 57.731 58.000 0.090 0.000 1.017 51 F CB 0.988 40.119 39.000 0.218 0.000 1.301 51 F HN 0.647 nan 8.300 nan 0.000 0.492 52 Q N 0.220 120.262 119.800 0.403 0.000 2.084 52 Q HA -0.066 4.216 4.340 -0.097 0.000 0.202 52 Q C 0.499 176.642 176.000 0.239 0.000 0.978 52 Q CA 1.780 57.741 55.803 0.263 0.000 0.844 52 Q CB -0.237 28.650 28.738 0.249 0.000 0.898 52 Q HN 0.793 nan 8.270 nan 0.000 0.426 53 T N -2.266 112.489 114.554 0.335 0.000 2.927 53 T HA 0.289 4.581 4.350 -0.097 0.000 0.286 53 T C -0.080 174.772 174.700 0.252 0.000 1.040 53 T CA -0.383 61.887 62.100 0.283 0.000 1.010 53 T CB 1.052 70.105 68.868 0.309 0.000 1.177 53 T HN 0.217 nan 8.240 nan 0.000 0.546 54 D N 0.347 120.855 120.400 0.180 0.000 2.519 54 D HA -0.029 4.552 4.640 -0.097 0.000 0.238 54 D C 1.270 177.628 176.300 0.096 0.000 1.192 54 D CA -0.706 53.351 54.000 0.096 0.000 0.835 54 D CB -0.490 40.371 40.800 0.101 0.000 0.975 54 D HN 0.818 nan 8.370 nan 0.000 0.490 55 W N -0.552 120.827 121.300 0.132 0.000 2.465 55 W HA -0.123 4.478 4.660 -0.099 0.000 0.268 55 W C 0.570 177.181 176.519 0.153 0.000 1.242 55 W CA 0.116 57.520 57.345 0.099 0.000 1.248 55 W CB -1.022 28.463 29.460 0.042 0.000 1.118 55 W HN 0.080 nan 8.180 nan 0.000 0.587 56 Y N 1.457 121.274 120.300 -0.805 0.000 2.539 56 Y HA 0.209 4.701 4.550 -0.096 0.000 0.284 56 Y C 0.013 175.785 175.900 -0.213 0.000 1.134 56 Y CA 1.188 58.898 58.100 -0.651 0.000 1.251 56 Y CB 0.142 37.892 38.460 -1.184 0.000 1.260 56 Y HN -0.148 nan 8.280 nan 0.000 0.528 57 D N -2.322 118.008 120.400 -0.117 0.000 2.570 57 D HA 0.108 4.690 4.640 -0.097 0.000 0.244 57 D C 0.724 177.035 176.300 0.018 0.000 1.178 57 D CA -0.314 53.660 54.000 -0.043 0.000 0.881 57 D CB 0.661 41.492 40.800 0.053 0.000 1.453 57 D HN 0.211 nan 8.370 nan 0.000 0.447 58 H N 0.550 119.613 119.070 -0.011 0.000 2.495 58 H HA 0.121 4.620 4.556 -0.096 0.000 0.287 58 H C -0.477 174.865 175.328 0.023 0.000 1.033 58 H CA 0.575 56.628 56.048 0.010 0.000 1.307 58 H CB 0.094 29.860 29.762 0.006 0.000 1.401 58 H HN 0.343 nan 8.280 nan 0.000 0.555 59 E N 2.080 121.963 120.200 -0.528 0.000 2.313 59 E HA 0.224 4.516 4.350 -0.097 0.000 0.276 59 E C 0.092 176.606 176.600 -0.142 0.000 1.031 59 E CA 0.001 56.191 56.400 -0.350 0.000 0.857 59 E CB 1.328 30.811 29.700 -0.363 0.000 1.040 59 E HN 0.531 nan 8.360 nan 0.000 0.408 60 T N -1.119 113.380 114.554 -0.092 0.000 2.888 60 T HA 0.391 4.683 4.350 -0.097 0.000 0.288 60 T C 1.230 175.880 174.700 -0.083 0.000 1.063 60 T CA -0.795 61.281 62.100 -0.040 0.000 1.010 60 T CB 0.654 69.531 68.868 0.016 0.000 1.214 60 T HN 0.362 nan 8.240 nan 0.000 0.533 61 I N 0.752 121.290 120.570 -0.054 0.000 2.208 61 I HA -0.164 3.948 4.170 -0.097 0.000 0.245 61 I C 2.994 179.003 176.117 -0.181 0.000 1.097 61 I CA 1.870 63.109 61.300 -0.101 0.000 1.363 61 I CB -0.681 37.321 38.000 0.002 0.000 1.051 61 I HN 0.883 nan 8.210 nan 0.000 0.413 62 A N 0.617 123.362 122.820 -0.124 0.000 1.877 62 A HA -0.229 4.033 4.320 -0.097 0.000 0.216 62 A C 2.504 179.871 177.584 -0.363 0.000 1.186 62 A CA 2.209 54.099 52.037 -0.245 0.000 0.620 62 A CB -0.881 18.040 19.000 -0.132 0.000 0.822 62 A HN 0.533 nan 8.150 nan 0.000 0.443 63 S N -0.407 115.190 115.700 -0.171 0.000 2.382 63 S HA -0.116 4.296 4.470 -0.097 0.000 0.228 63 S C 1.757 176.302 174.600 -0.091 0.000 1.027 63 S CA 1.456 59.607 58.200 -0.081 0.000 0.991 63 S CB -0.906 62.280 63.200 -0.024 0.000 0.823 63 S HN 0.237 nan 8.310 nan 0.000 0.469 64 V N 2.684 122.514 119.914 -0.140 0.000 2.358 64 V HA -0.121 3.941 4.120 -0.097 0.000 0.246 64 V C 2.906 178.912 176.094 -0.146 0.000 1.047 64 V CA 1.936 64.164 62.300 -0.120 0.000 1.035 64 V CB -0.768 30.970 31.823 -0.141 0.000 0.658 64 V HN 0.502 nan 8.190 nan 0.000 0.452 65 K N 0.076 120.267 120.400 -0.348 0.000 2.032 65 K HA -0.231 4.031 4.320 -0.097 0.000 0.209 65 K C 2.060 178.471 176.600 -0.315 0.000 1.048 65 K CA 2.132 58.026 56.287 -0.654 0.000 0.927 65 K CB -0.478 31.398 32.500 -1.041 0.000 0.712 65 K HN 0.660 nan 8.250 nan 0.000 0.441 66 H N -0.522 118.441 119.070 -0.178 0.000 2.353 66 H HA -0.083 4.415 4.556 -0.097 0.000 0.300 66 H C 2.182 177.534 175.328 0.041 0.000 1.090 66 H CA 1.194 57.213 56.048 -0.048 0.000 1.327 66 H CB 0.253 30.004 29.762 -0.019 0.000 1.383 66 H HN -0.040 nan 8.280 nan 0.000 0.508 67 V N 1.041 121.055 119.914 0.166 0.000 2.295 67 V HA -0.240 3.821 4.120 -0.097 0.000 0.246 67 V C 2.332 178.567 176.094 0.234 0.000 1.049 67 V CA 1.701 64.098 62.300 0.162 0.000 1.024 67 V CB -0.347 31.532 31.823 0.093 0.000 0.648 67 V HN 0.395 nan 8.190 nan 0.000 0.447 68 I N -0.112 120.597 120.570 0.233 0.000 2.394 68 I HA -0.225 3.887 4.170 -0.097 0.000 0.251 68 I C 2.553 178.986 176.117 0.525 0.000 1.136 68 I CA 1.651 63.165 61.300 0.358 0.000 1.425 68 I CB -0.330 37.870 38.000 0.333 0.000 1.079 68 I HN 0.423 nan 8.210 nan 0.000 0.425 69 E N 0.868 121.365 120.200 0.496 0.000 2.077 69 E HA -0.317 3.974 4.350 -0.097 0.000 0.193 69 E C 2.176 179.000 176.600 0.374 0.000 0.989 69 E CA 1.372 58.062 56.400 0.483 0.000 0.800 69 E CB 0.067 29.996 29.700 0.382 0.000 0.746 69 E HN 0.292 nan 8.360 nan 0.000 0.452 70 Q N -0.186 119.791 119.800 0.294 0.000 2.119 70 Q HA -0.162 4.120 4.340 -0.097 0.000 0.201 70 Q C 1.598 177.730 176.000 0.220 0.000 0.972 70 Q CA 1.869 57.798 55.803 0.209 0.000 0.847 70 Q CB -0.654 28.179 28.738 0.158 0.000 0.903 70 Q HN 0.518 nan 8.270 nan 0.000 0.433 71 W N -0.178 121.204 121.300 0.135 0.000 2.338 71 W HA -0.246 4.354 4.660 -0.099 0.000 0.304 71 W C 1.694 178.293 176.519 0.133 0.000 1.212 71 W CA 1.813 59.225 57.345 0.112 0.000 1.264 71 W CB -0.654 28.874 29.460 0.113 0.000 1.142 71 W HN 0.264 nan 8.180 nan 0.000 0.512 72 F N 1.803 121.808 119.950 0.092 0.000 2.134 72 F HA -0.183 4.288 4.527 -0.093 0.000 0.299 72 F C 2.306 177.982 175.800 -0.207 0.000 1.097 72 F CA 2.256 60.168 58.000 -0.146 0.000 1.264 72 F CB -0.635 38.417 39.000 0.086 0.000 1.001 72 F HN -0.197 nan 8.300 nan 0.000 0.479 73 E N 0.288 120.434 120.200 -0.089 0.000 2.160 73 E HA -0.196 4.095 4.350 -0.097 0.000 0.195 73 E C 1.714 178.150 176.600 -0.273 0.000 0.991 73 E CA 1.461 57.757 56.400 -0.173 0.000 0.810 73 E CB -0.475 29.219 29.700 -0.010 0.000 0.742 73 E HN 0.551 nan 8.360 nan 0.000 0.466 74 D N -0.200 120.026 120.400 -0.290 0.000 2.333 74 D HA 0.001 4.583 4.640 -0.097 0.000 0.208 74 D C 1.018 177.071 176.300 -0.413 0.000 0.984 74 D CA 0.338 54.164 54.000 -0.291 0.000 0.873 74 D CB 0.109 40.783 40.800 -0.209 0.000 0.935 74 D HN 0.140 nan 8.370 nan 0.000 0.521 75 N N 0.635 118.944 118.700 -0.652 0.000 2.166 75 N HA 0.018 4.700 4.740 -0.097 0.000 0.213 75 N C 0.262 175.441 175.510 -0.553 0.000 1.222 75 N CA -0.125 52.540 53.050 -0.643 0.000 0.900 75 N CB 1.494 39.366 38.487 -1.024 0.000 1.055 75 N HN 0.280 nan 8.380 nan 0.000 0.515 76 R N 1.645 121.694 120.500 -0.751 0.000 2.623 76 R HA 0.105 4.387 4.340 -0.097 0.000 0.271 76 R C 0.066 176.148 176.300 -0.363 0.000 1.043 76 R CA 0.227 55.870 56.100 -0.761 0.000 1.083 76 R CB 0.096 29.627 30.300 -1.281 0.000 0.974 76 R HN -0.031 nan 8.270 nan 0.000 0.436 77 N N -0.313 118.260 118.700 -0.211 0.000 2.936 77 N HA -0.166 4.515 4.740 -0.097 0.000 0.236 77 N C -1.101 174.354 175.510 -0.092 0.000 0.930 77 N CA 1.472 54.449 53.050 -0.123 0.000 0.966 77 N CB -0.745 37.667 38.487 -0.124 0.000 1.090 77 N HN 0.690 nan 8.380 nan 0.000 0.592 78 K N 1.744 122.101 120.400 -0.073 0.000 2.276 78 K HA 0.289 4.551 4.320 -0.097 0.000 0.283 78 K C 0.581 177.204 176.600 0.038 0.000 1.044 78 K CA -0.147 56.134 56.287 -0.011 0.000 0.944 78 K CB 0.859 33.362 32.500 0.005 0.000 1.012 78 K HN 0.229 nan 8.250 nan 0.000 0.472 79 S N 2.820 118.516 115.700 -0.006 0.000 2.562 79 S HA 0.604 5.016 4.470 -0.097 0.000 0.275 79 S C -0.379 174.254 174.600 0.055 0.000 1.281 79 S CA -0.814 57.330 58.200 -0.095 0.000 1.045 79 S CB 0.064 63.212 63.200 -0.086 0.000 0.962 79 S HN 0.485 nan 8.310 nan 0.000 0.503 80 F N -0.978 119.008 119.950 0.061 0.000 2.608 80 F HA 0.619 5.086 4.527 -0.101 0.000 0.309 80 F C 0.108 175.981 175.800 0.120 0.000 1.103 80 F CA -1.038 57.004 58.000 0.070 0.000 0.954 80 F CB 1.274 40.322 39.000 0.081 0.000 1.267 80 F HN 0.558 nan 8.300 nan 0.000 0.444 81 E N 0.465 120.813 120.200 0.247 0.000 2.476 81 E HA 0.145 4.437 4.350 -0.097 0.000 0.199 81 E C 0.024 176.749 176.600 0.210 0.000 1.021 81 E CA 0.496 57.017 56.400 0.201 0.000 0.907 81 E CB 0.829 30.587 29.700 0.098 0.000 0.974 81 E HN 0.781 nan 8.360 nan 0.000 0.489 82 T N -3.401 111.170 114.554 0.029 0.000 2.864 82 T HA 0.131 4.423 4.350 -0.097 0.000 0.299 82 T C 0.277 174.390 174.700 -0.978 0.000 1.166 82 T CA -0.836 61.014 62.100 -0.418 0.000 1.007 82 T CB 1.119 69.865 68.868 -0.204 0.000 1.219 82 T HN -0.062 nan 8.240 nan 0.000 0.506 83 Y N 1.437 120.878 120.300 -1.432 0.000 2.128 83 Y HA -0.053 4.440 4.550 -0.095 0.000 0.284 83 Y C 2.171 177.803 175.900 -0.447 0.000 1.154 83 Y CA 2.178 59.663 58.100 -1.024 0.000 1.149 83 Y CB -0.642 37.513 38.460 -0.507 0.000 0.976 83 Y HN 0.817 nan 8.280 nan 0.000 0.505 84 E N 0.341 120.316 120.200 -0.375 0.000 2.085 84 E HA -0.200 4.092 4.350 -0.097 0.000 0.194 84 E C 2.408 178.836 176.600 -0.286 0.000 0.994 84 E CA 1.649 57.852 56.400 -0.328 0.000 0.801 84 E CB -0.728 28.871 29.700 -0.168 0.000 0.743 84 E HN 0.544 nan 8.360 nan 0.000 0.453 85 A N 0.776 123.458 122.820 -0.230 0.000 1.930 85 A HA -0.052 4.210 4.320 -0.097 0.000 0.217 85 A C 2.353 179.799 177.584 -0.230 0.000 1.175 85 A CA 1.793 53.744 52.037 -0.143 0.000 0.627 85 A CB -0.795 18.195 19.000 -0.016 0.000 0.815 85 A HN 0.285 nan 8.150 nan 0.000 0.443 86 A N -0.071 122.512 122.820 -0.395 0.000 1.902 86 A HA -0.061 4.201 4.320 -0.097 0.000 0.217 86 A C 2.121 179.493 177.584 -0.353 0.000 1.181 86 A CA 1.493 53.170 52.037 -0.600 0.000 0.623 86 A CB -0.640 18.055 19.000 -0.508 0.000 0.818 86 A HN 0.474 nan 8.150 nan 0.000 0.443 87 L N -1.223 119.781 121.223 -0.366 0.000 2.191 87 L HA -0.183 4.099 4.340 -0.097 0.000 0.212 87 L C 2.420 179.188 176.870 -0.169 0.000 1.103 87 L CA 1.383 56.046 54.840 -0.294 0.000 0.769 87 L CB -0.368 41.441 42.059 -0.415 0.000 0.908 87 L HN 0.216 nan 8.230 nan 0.000 0.438 88 K N 0.333 120.642 120.400 -0.152 0.000 2.209 88 K HA -0.096 4.166 4.320 -0.097 0.000 0.204 88 K C 1.899 178.491 176.600 -0.013 0.000 1.048 88 K CA 1.068 57.309 56.287 -0.077 0.000 0.940 88 K CB -0.285 32.174 32.500 -0.069 0.000 0.729 88 K HN 0.236 nan 8.250 nan 0.000 0.451 89 L N 0.152 121.381 121.223 0.010 0.000 2.362 89 L HA -0.070 4.212 4.340 -0.097 0.000 0.219 89 L C 1.553 178.626 176.870 0.340 0.000 1.134 89 L CA 0.628 55.560 54.840 0.153 0.000 0.807 89 L CB -0.340 41.831 42.059 0.187 0.000 0.927 89 L HN 0.035 nan 8.230 nan 0.000 0.447 90 V N -6.022 113.985 119.914 0.154 0.000 3.542 90 V HA 0.119 4.180 4.120 -0.097 0.000 0.296 90 V C 1.398 177.500 176.094 0.014 0.000 1.364 90 V CA 0.033 62.366 62.300 0.055 0.000 1.118 90 V CB -0.149 31.573 31.823 -0.169 0.000 0.972 90 V HN 0.168 nan 8.190 nan 0.000 0.430 91 D N 2.624 123.038 120.400 0.024 0.000 2.182 91 D HA -0.151 4.431 4.640 -0.097 0.000 0.201 91 D C 2.275 178.589 176.300 0.024 0.000 0.986 91 D CA 2.111 56.113 54.000 0.004 0.000 0.847 91 D CB 0.019 40.818 40.800 -0.002 0.000 0.942 91 D HN 0.755 nan 8.370 nan 0.000 0.467 92 S N -0.325 115.413 115.700 0.063 0.000 2.607 92 S HA 0.040 4.452 4.470 -0.097 0.000 0.224 92 S C 1.591 176.233 174.600 0.070 0.000 0.969 92 S CA 0.015 58.257 58.200 0.071 0.000 0.927 92 S CB -0.242 63.017 63.200 0.100 0.000 0.772 92 S HN 0.219 nan 8.310 nan 0.000 0.533 93 L N 0.530 121.777 121.223 0.041 0.000 2.769 93 L HA 0.350 4.632 4.340 -0.097 0.000 0.240 93 L C 1.729 178.597 176.870 -0.003 0.000 1.163 93 L CA -0.013 54.834 54.840 0.012 0.000 0.962 93 L CB -0.143 41.879 42.059 -0.061 0.000 1.258 93 L HN 0.278 nan 8.230 nan 0.000 0.513 94 E N 1.307 121.508 120.200 0.002 0.000 2.265 94 E HA -0.180 4.112 4.350 -0.097 0.000 0.196 94 E C 1.409 178.019 176.600 0.016 0.000 0.996 94 E CA 1.175 57.574 56.400 -0.001 0.000 0.832 94 E CB -0.014 29.683 29.700 -0.004 0.000 0.756 94 E HN 0.635 nan 8.360 nan 0.000 0.491 95 N N 0.714 119.432 118.700 0.030 0.000 2.494 95 N HA -0.084 4.597 4.740 -0.097 0.000 0.182 95 N C 0.635 176.196 175.510 0.085 0.000 1.076 95 N CA 0.963 54.044 53.050 0.052 0.000 0.908 95 N CB 0.039 38.556 38.487 0.051 0.000 0.967 95 N HN -0.012 nan 8.380 nan 0.000 0.449 96 T N -1.627 112.960 114.554 0.055 0.000 3.401 96 T HA 0.315 4.607 4.350 -0.097 0.000 0.341 96 T C -2.017 172.684 174.700 0.003 0.000 1.674 96 T CA -1.525 60.598 62.100 0.038 0.000 1.600 96 T CB 1.925 70.808 68.868 0.026 0.000 0.974 96 T HN -0.156 nan 8.240 nan 0.000 0.672 97 P HA -0.184 nan 4.420 nan 0.000 0.216 97 P C 1.691 179.008 177.300 0.029 0.000 1.150 97 P CA 1.442 64.551 63.100 0.016 0.000 0.843 97 P CB 0.021 31.739 31.700 0.029 0.000 0.787 98 A N 0.505 123.348 122.820 0.038 0.000 1.902 98 A HA -0.040 4.222 4.320 -0.097 0.000 0.217 98 A C 2.543 180.091 177.584 -0.060 0.000 1.181 98 A CA 2.225 54.276 52.037 0.022 0.000 0.623 98 A CB -1.508 17.468 19.000 -0.041 0.000 0.818 98 A HN 0.250 nan 8.150 nan 0.000 0.443 99 A N -0.360 122.416 122.820 -0.073 0.000 1.873 99 A HA -0.135 4.127 4.320 -0.097 0.000 0.215 99 A C 2.254 179.754 177.584 -0.139 0.000 1.186 99 A CA 1.672 53.653 52.037 -0.094 0.000 0.616 99 A CB -0.510 18.450 19.000 -0.066 0.000 0.823 99 A HN 0.547 nan 8.150 nan 0.000 0.442 100 R N -0.297 120.125 120.500 -0.130 0.000 2.083 100 R HA -0.134 4.147 4.340 -0.097 0.000 0.237 100 R C 2.275 178.482 176.300 -0.155 0.000 1.137 100 R CA 1.560 57.554 56.100 -0.177 0.000 0.951 100 R CB -0.437 29.792 30.300 -0.118 0.000 0.851 100 R HN 0.429 nan 8.270 nan 0.000 0.434 101 A N -0.069 122.700 122.820 -0.086 0.000 1.940 101 A HA -0.143 4.118 4.320 -0.097 0.000 0.219 101 A C 2.130 179.655 177.584 -0.099 0.000 1.176 101 A CA 2.040 54.040 52.037 -0.062 0.000 0.631 101 A CB -0.797 18.218 19.000 0.024 0.000 0.814 101 A HN 0.493 nan 8.150 nan 0.000 0.446 102 T N 0.304 114.788 114.554 -0.116 0.000 2.708 102 T HA -0.085 4.207 4.350 -0.097 0.000 0.266 102 T C 1.796 176.418 174.700 -0.130 0.000 1.037 102 T CA 1.538 63.567 62.100 -0.120 0.000 1.146 102 T CB -0.383 68.418 68.868 -0.112 0.000 0.865 102 T HN 0.449 nan 8.240 nan 0.000 0.435 103 I N 0.798 121.246 120.570 -0.202 0.000 2.252 103 I HA -0.122 3.990 4.170 -0.097 0.000 0.245 103 I C 2.462 178.473 176.117 -0.177 0.000 1.102 103 I CA 0.790 61.929 61.300 -0.268 0.000 1.385 103 I CB -0.429 37.212 38.000 -0.599 0.000 1.064 103 I HN 0.071 nan 8.210 nan 0.000 0.414 104 V N 0.569 120.389 119.914 -0.157 0.000 2.407 104 V HA -0.340 3.722 4.120 -0.097 0.000 0.248 104 V C 2.445 178.520 176.094 -0.033 0.000 1.055 104 V CA 1.968 64.234 62.300 -0.058 0.000 1.049 104 V CB -0.492 31.299 31.823 -0.054 0.000 0.662 104 V HN 0.471 nan 8.190 nan 0.000 0.455 105 M N -0.178 119.338 119.600 -0.141 0.000 2.149 105 M HA -0.188 4.234 4.480 -0.097 0.000 0.261 105 M C 2.095 178.301 176.300 -0.156 0.000 1.064 105 M CA 2.226 57.341 55.300 -0.309 0.000 1.102 105 M CB -0.220 32.194 32.600 -0.310 0.000 1.369 105 M HN 0.367 nan 8.290 nan 0.000 0.408 106 A N 0.389 123.194 122.820 -0.024 0.000 1.872 106 A HA -0.075 4.187 4.320 -0.097 0.000 0.214 106 A C 1.952 179.562 177.584 0.045 0.000 1.187 106 A CA 1.161 53.239 52.037 0.069 0.000 0.614 106 A CB -0.887 18.156 19.000 0.072 0.000 0.826 106 A HN 0.564 nan 8.150 nan 0.000 0.442 107 L N -2.020 119.247 121.223 0.073 0.000 2.042 107 L HA -0.226 4.056 4.340 -0.097 0.000 0.210 107 L C 2.591 179.646 176.870 0.309 0.000 1.076 107 L CA 1.925 56.865 54.840 0.166 0.000 0.749 107 L CB -0.774 41.401 42.059 0.193 0.000 0.893 107 L HN 0.578 nan 8.230 nan 0.000 0.432 108 Y N 1.163 121.576 120.300 0.189 0.000 2.151 108 Y HA -0.329 4.159 4.550 -0.104 0.000 0.284 108 Y C 2.677 178.681 175.900 0.174 0.000 1.166 108 Y CA 1.803 59.974 58.100 0.118 0.000 1.163 108 Y CB -0.179 38.226 38.460 -0.092 0.000 0.974 108 Y HN 0.224 nan 8.280 nan 0.000 0.511 109 Q N -0.693 119.259 119.800 0.253 0.000 2.364 109 Q HA -0.153 4.129 4.340 -0.097 0.000 0.207 109 Q C 1.971 177.971 176.000 0.001 0.000 0.970 109 Q CA 1.332 57.292 55.803 0.261 0.000 0.888 109 Q CB -0.133 28.874 28.738 0.447 0.000 0.951 109 Q HN 0.593 nan 8.270 nan 0.000 0.469 110 M N -1.061 118.310 119.600 -0.381 0.000 2.562 110 M HA -0.008 4.414 4.480 -0.097 0.000 0.257 110 M C 0.212 176.002 176.300 -0.851 0.000 1.099 110 M CA 1.053 55.867 55.300 -0.810 0.000 1.099 110 M CB 0.472 32.461 32.600 -1.019 0.000 1.427 110 M HN 0.127 nan 8.290 nan 0.000 0.489 111 F N -2.114 117.743 119.950 -0.157 0.000 2.825 111 F HA 0.257 4.730 4.527 -0.090 0.000 0.322 111 F C -0.261 175.149 175.800 -0.650 0.000 1.127 111 F CA -0.567 57.235 58.000 -0.330 0.000 1.164 111 F CB 0.242 39.023 39.000 -0.364 0.000 1.101 111 F HN -0.012 nan 8.300 nan 0.000 0.529 112 H N -1.451 117.508 119.070 -0.186 0.000 2.851 112 H HA 0.571 5.067 4.556 -0.100 0.000 0.372 112 H C -0.829 174.495 175.328 -0.005 0.000 1.158 112 H CA -1.023 54.918 56.048 -0.179 0.000 1.159 112 H CB 2.048 31.527 29.762 -0.472 0.000 1.757 112 H HN -0.298 nan 8.280 nan 0.000 0.546 113 V N 3.993 124.002 119.914 0.158 0.000 2.353 113 V HA 0.119 4.181 4.120 -0.097 0.000 0.264 113 V C 0.104 176.328 176.094 0.217 0.000 1.049 113 V CA -0.465 61.928 62.300 0.154 0.000 0.896 113 V CB 0.049 31.937 31.823 0.109 0.000 1.025 113 V HN 0.500 nan 8.190 nan 0.000 0.475 114 L N 8.899 130.269 121.223 0.245 0.000 2.410 114 L HA 0.311 4.593 4.340 -0.097 0.000 0.273 114 L C -1.568 175.477 176.870 0.293 0.000 1.144 114 L CA -1.068 53.963 54.840 0.318 0.000 0.863 114 L CB 0.536 42.740 42.059 0.242 0.000 1.140 114 L HN 0.458 nan 8.230 nan 0.000 0.463 115 P HA 0.236 nan 4.420 nan 0.000 0.280 115 P C -1.063 176.516 177.300 0.464 0.000 1.272 115 P CA -0.604 62.711 63.100 0.357 0.000 0.819 115 P CB 1.639 33.530 31.700 0.318 0.000 1.122 116 S N 0.470 116.363 115.700 0.321 0.000 2.475 116 S HA 0.809 5.221 4.470 -0.097 0.000 0.298 116 S C -0.417 174.345 174.600 0.271 0.000 1.119 116 S CA -0.481 57.842 58.200 0.205 0.000 1.085 116 S CB 0.106 63.370 63.200 0.106 0.000 1.028 116 S HN 0.508 nan 8.310 nan 0.000 0.489 117 F N -0.861 119.187 119.950 0.164 0.000 2.877 117 F HA 0.832 5.301 4.527 -0.096 0.000 0.319 117 F C -0.805 175.096 175.800 0.168 0.000 1.174 117 F CA -0.805 57.265 58.000 0.117 0.000 0.903 117 F CB 0.764 39.799 39.000 0.057 0.000 1.357 117 F HN 0.745 nan 8.300 nan 0.000 0.472 118 S N 0.602 116.524 115.700 0.369 0.000 2.634 118 S HA 0.953 5.365 4.470 -0.097 0.000 0.296 118 S C -1.002 173.842 174.600 0.406 0.000 1.104 118 S CA -0.116 58.260 58.200 0.293 0.000 0.920 118 S CB 1.676 64.973 63.200 0.161 0.000 1.111 118 S HN 1.978 nan 8.310 nan 0.000 0.493 119 V N -2.045 118.071 119.914 0.337 0.000 3.078 119 V HA 0.968 5.030 4.120 -0.097 0.000 0.311 119 V C 0.119 176.340 176.094 0.211 0.000 1.138 119 V CA -1.032 61.427 62.300 0.266 0.000 1.007 119 V CB 0.925 32.912 31.823 0.272 0.000 1.045 119 V HN 1.523 nan 8.190 nan 0.000 0.432 120 A N 1.857 124.777 122.820 0.166 0.000 2.498 120 A HA 0.501 4.763 4.320 -0.097 0.000 0.239 120 A C -0.573 177.123 177.584 0.187 0.000 1.068 120 A CA 0.022 52.150 52.037 0.151 0.000 0.766 120 A CB -0.140 18.927 19.000 0.112 0.000 1.003 120 A HN 1.532 nan 8.150 nan 0.000 0.497 121 Y N 1.850 122.172 120.300 0.037 0.000 2.365 121 Y HA 0.498 4.990 4.550 -0.096 0.000 0.340 121 Y C 0.491 176.388 175.900 -0.006 0.000 1.016 121 Y CA -0.712 57.393 58.100 0.008 0.000 1.196 121 Y CB 0.651 39.097 38.460 -0.023 0.000 1.167 121 Y HN 0.660 nan 8.280 nan 0.000 0.509 122 G N 5.053 113.627 108.800 -0.377 0.000 2.487 122 G HA2 0.638 4.539 3.960 -0.097 0.000 0.314 122 G HA3 0.638 4.539 3.960 -0.097 0.000 0.314 122 G C -1.223 173.254 174.900 -0.704 0.000 1.267 122 G CA -0.490 44.328 45.100 -0.471 0.000 0.937 122 G HN 0.964 nan 8.290 nan 0.000 0.481 123 A N 2.257 124.609 122.820 -0.780 0.000 2.302 123 A HA 0.862 5.124 4.320 -0.097 0.000 0.285 123 A C 0.614 178.046 177.584 -0.254 0.000 1.105 123 A CA -0.250 51.478 52.037 -0.514 0.000 0.816 123 A CB 0.762 19.524 19.000 -0.396 0.000 1.067 123 A HN 1.310 nan 8.150 nan 0.000 0.489 124 T N -1.016 113.457 114.554 -0.136 0.000 2.840 124 T HA 0.715 5.007 4.350 -0.097 0.000 0.287 124 T C -0.565 174.142 174.700 0.012 0.000 0.991 124 T CA 0.012 62.073 62.100 -0.065 0.000 0.964 124 T CB 1.351 70.190 68.868 -0.049 0.000 0.954 124 T HN 1.547 nan 8.240 nan 0.000 0.438 125 A N 2.130 124.945 122.820 -0.009 0.000 2.330 125 A HA 0.695 4.957 4.320 -0.097 0.000 0.313 125 A C 0.796 178.391 177.584 0.018 0.000 1.124 125 A CA -0.893 51.148 52.037 0.008 0.000 0.774 125 A CB 1.381 20.361 19.000 -0.033 0.000 1.198 125 A HN 0.785 nan 8.150 nan 0.000 0.465 126 S N 1.014 116.736 115.700 0.037 0.000 2.548 126 S HA 0.419 4.831 4.470 -0.097 0.000 0.215 126 S C 0.915 175.529 174.600 0.022 0.000 0.976 126 S CA 0.701 58.925 58.200 0.040 0.000 0.908 126 S CB 0.170 63.400 63.200 0.050 0.000 0.781 126 S HN 1.414 nan 8.310 nan 0.000 0.519 127 G N 0.356 109.160 108.800 0.008 0.000 2.494 127 G HA2 0.498 4.400 3.960 -0.097 0.000 0.308 127 G HA3 0.498 4.400 3.960 -0.097 0.000 0.308 127 G C -2.189 172.704 174.900 -0.012 0.000 1.263 127 G CA -0.645 44.453 45.100 -0.003 0.000 0.840 127 G HN 0.066 nan 8.290 nan 0.000 0.479 128 L N 2.232 123.447 121.223 -0.013 0.000 2.551 128 L HA 0.530 4.812 4.340 -0.097 0.000 0.248 128 L C 0.836 177.700 176.870 -0.011 0.000 1.509 128 L CA -0.573 54.258 54.840 -0.016 0.000 0.842 128 L CB 0.396 42.443 42.059 -0.022 0.000 1.087 128 L HN 0.820 nan 8.230 nan 0.000 0.512 129 S N -0.452 115.244 115.700 -0.008 0.000 2.624 129 S HA 0.167 4.579 4.470 -0.097 0.000 0.263 129 S C 1.101 175.698 174.600 -0.005 0.000 1.287 129 S CA 0.122 58.318 58.200 -0.007 0.000 0.990 129 S CB 0.832 64.027 63.200 -0.008 0.000 0.950 129 S HN 0.530 nan 8.310 nan 0.000 0.561 130 N N 0.963 119.660 118.700 -0.005 0.000 2.166 130 N HA -0.164 4.518 4.740 -0.097 0.000 0.186 130 N C 1.667 177.177 175.510 0.000 0.000 1.019 130 N CA 1.818 54.867 53.050 -0.002 0.000 0.856 130 N CB -0.347 38.138 38.487 -0.003 0.000 0.993 130 N HN 0.762 nan 8.380 nan 0.000 0.426 131 K N -0.124 120.274 120.400 -0.003 0.000 2.026 131 K HA -0.232 4.030 4.320 -0.097 0.000 0.208 131 K C 2.055 178.658 176.600 0.005 0.000 1.048 131 K CA 1.439 57.725 56.287 -0.002 0.000 0.929 131 K CB -0.178 32.316 32.500 -0.010 0.000 0.713 131 K HN 0.139 nan 8.250 nan 0.000 0.439 132 Q N 0.775 120.578 119.800 0.005 0.000 2.050 132 Q HA -0.147 4.135 4.340 -0.097 0.000 0.202 132 Q C 1.942 177.951 176.000 0.015 0.000 0.980 132 Q CA 1.489 57.300 55.803 0.013 0.000 0.840 132 Q CB -0.427 28.315 28.738 0.006 0.000 0.898 132 Q HN 0.350 nan 8.270 nan 0.000 0.424 133 L N 0.605 121.833 121.223 0.008 0.000 2.046 133 L HA -0.128 4.154 4.340 -0.097 0.000 0.208 133 L C 1.895 178.784 176.870 0.032 0.000 1.077 133 L CA 1.934 56.782 54.840 0.012 0.000 0.747 133 L CB -0.631 41.430 42.059 0.005 0.000 0.896 133 L HN 0.212 nan 8.230 nan 0.000 0.432 134 E N -0.871 119.345 120.200 0.026 0.000 2.106 134 E HA -0.184 4.107 4.350 -0.097 0.000 0.192 134 E C 2.360 178.983 176.600 0.039 0.000 0.984 134 E CA 1.207 57.626 56.400 0.031 0.000 0.806 134 E CB -0.415 29.296 29.700 0.018 0.000 0.750 134 E HN 0.548 nan 8.360 nan 0.000 0.458 135 S N 0.357 116.079 115.700 0.037 0.000 2.356 135 S HA -0.078 4.333 4.470 -0.097 0.000 0.223 135 S C 2.094 176.736 174.600 0.070 0.000 1.032 135 S CA 0.683 58.911 58.200 0.046 0.000 1.005 135 S CB -0.144 63.089 63.200 0.055 0.000 0.867 135 S HN 0.162 nan 8.310 nan 0.000 0.449 136 L N 0.832 122.103 121.223 0.081 0.000 2.046 136 L HA -0.124 4.158 4.340 -0.097 0.000 0.208 136 L C 2.691 179.676 176.870 0.192 0.000 1.077 136 L CA 1.527 56.441 54.840 0.124 0.000 0.747 136 L CB -0.488 41.627 42.059 0.094 0.000 0.896 136 L HN 0.290 nan 8.230 nan 0.000 0.432 137 K N -0.041 120.471 120.400 0.187 0.000 2.057 137 K HA -0.136 4.126 4.320 -0.097 0.000 0.207 137 K C 2.204 178.860 176.600 0.093 0.000 1.049 137 K CA 1.408 57.833 56.287 0.229 0.000 0.931 137 K CB -0.227 32.361 32.500 0.148 0.000 0.714 137 K HN 0.295 nan 8.250 nan 0.000 0.440 138 A N 0.960 123.803 122.820 0.039 0.000 1.930 138 A HA -0.108 4.154 4.320 -0.097 0.000 0.215 138 A C 2.200 179.752 177.584 -0.054 0.000 1.176 138 A CA 1.862 53.896 52.037 -0.005 0.000 0.632 138 A CB -0.670 18.329 19.000 -0.002 0.000 0.819 138 A HN 0.451 nan 8.150 nan 0.000 0.445 139 T N -3.339 111.183 114.554 -0.053 0.000 3.054 139 T HA 0.103 4.394 4.350 -0.097 0.000 0.259 139 T C 0.588 175.192 174.700 -0.160 0.000 1.092 139 T CA 0.579 62.643 62.100 -0.061 0.000 1.121 139 T CB -0.414 68.487 68.868 0.054 0.000 0.912 139 T HN 0.466 nan 8.240 nan 0.000 0.489 140 K N 1.775 121.902 120.400 -0.455 0.000 3.419 140 K HA -0.100 4.162 4.320 -0.097 0.000 0.272 140 K C -2.491 173.738 176.600 -0.618 0.000 0.973 140 K CA 0.250 55.842 56.287 -1.160 0.000 0.749 140 K CB -1.557 30.431 32.500 -0.853 0.000 1.403 140 K HN 0.482 nan 8.250 nan 0.000 0.456 141 P HA -0.056 nan 4.420 nan 0.000 0.269 141 P C 0.854 178.141 177.300 -0.022 0.000 1.215 141 P CA 0.286 63.290 63.100 -0.160 0.000 0.780 141 P CB 0.769 32.209 31.700 -0.432 0.000 0.898 142 T N -1.147 113.409 114.554 0.002 0.000 3.100 142 T HA 0.077 4.369 4.350 -0.097 0.000 0.253 142 T C 0.866 175.616 174.700 0.083 0.000 1.118 142 T CA 0.191 62.349 62.100 0.097 0.000 1.058 142 T CB 0.186 69.103 68.868 0.082 0.000 0.953 142 T HN 0.376 nan 8.240 nan 0.000 0.515 143 R N 0.493 120.981 120.500 -0.019 0.000 2.584 143 R HA 0.591 4.873 4.340 -0.097 0.000 0.276 143 R C -2.164 174.031 176.300 -0.175 0.000 1.046 143 R CA -0.789 55.282 56.100 -0.048 0.000 0.906 143 R CB 1.541 31.789 30.300 -0.087 0.000 1.215 143 R HN 0.315 nan 8.270 nan 0.000 0.449 144 I N 3.398 123.867 120.570 -0.168 0.000 2.447 144 I HA 0.325 4.437 4.170 -0.097 0.000 0.287 144 I C -0.274 175.731 176.117 -0.187 0.000 1.023 144 I CA -0.727 60.406 61.300 -0.278 0.000 1.083 144 I CB 2.266 39.943 38.000 -0.538 0.000 1.245 144 I HN 0.331 nan 8.210 nan 0.000 0.434 145 K N 6.739 127.039 120.400 -0.167 0.000 2.292 145 K HA 0.469 4.731 4.320 -0.097 0.000 0.270 145 K C -1.367 175.184 176.600 -0.082 0.000 1.062 145 K CA -0.652 55.562 56.287 -0.121 0.000 0.916 145 K CB 1.053 33.499 32.500 -0.090 0.000 1.166 145 K HN 0.425 nan 8.250 nan 0.000 0.458 146 L N 4.340 125.522 121.223 -0.070 0.000 2.289 146 L HA 0.347 4.629 4.340 -0.097 0.000 0.285 146 L C -0.453 176.419 176.870 0.003 0.000 1.049 146 L CA -0.139 54.674 54.840 -0.045 0.000 0.804 146 L CB 1.136 43.156 42.059 -0.065 0.000 1.195 146 L HN 0.530 nan 8.230 nan 0.000 0.428 147 K N 5.107 125.522 120.400 0.026 0.000 2.350 147 K HA 0.034 4.296 4.320 -0.097 0.000 0.279 147 K C -0.656 176.012 176.600 0.115 0.000 1.027 147 K CA -0.536 55.799 56.287 0.081 0.000 0.969 147 K CB 0.435 32.981 32.500 0.077 0.000 0.954 147 K HN 0.705 nan 8.250 nan 0.000 0.474 148 W N 5.918 127.207 121.300 -0.019 0.000 2.303 148 W HA 0.054 4.656 4.660 -0.098 0.000 0.318 148 W C -0.701 175.813 176.519 -0.008 0.000 1.362 148 W CA 0.291 57.624 57.345 -0.020 0.000 1.234 148 W CB 0.136 29.578 29.460 -0.030 0.000 1.248 148 W HN 0.803 nan 8.180 nan 0.000 0.546 149 T N 2.964 117.503 114.554 -0.026 0.000 2.812 149 T HA 0.419 4.711 4.350 -0.097 0.000 0.294 149 T C -2.316 172.331 174.700 -0.088 0.000 1.159 149 T CA -1.436 60.705 62.100 0.067 0.000 1.008 149 T CB 2.270 71.152 68.868 0.024 0.000 1.289 149 T HN 0.080 nan 8.240 nan 0.000 0.514 150 P HA 0.035 nan 4.420 nan 0.000 0.225 150 P C 1.154 178.419 177.300 -0.058 0.000 1.148 150 P CA 0.722 63.824 63.100 0.004 0.000 0.779 150 P CB 0.117 31.855 31.700 0.062 0.000 0.780 151 Q N -1.265 118.501 119.800 -0.058 0.000 2.360 151 Q HA 0.125 4.407 4.340 -0.097 0.000 0.202 151 Q C 1.798 177.712 176.000 -0.144 0.000 0.915 151 Q CA -0.151 55.646 55.803 -0.009 0.000 0.943 151 Q CB -0.425 28.332 28.738 0.032 0.000 1.064 151 Q HN 0.368 nan 8.270 nan 0.000 0.511 152 I N 0.311 120.692 120.570 -0.315 0.000 2.113 152 I HA -0.361 3.751 4.170 -0.097 0.000 0.242 152 I C 1.585 177.506 176.117 -0.327 0.000 1.064 152 I CA 1.359 62.425 61.300 -0.390 0.000 1.320 152 I CB 0.201 37.757 38.000 -0.740 0.000 1.028 152 I HN 0.165 nan 8.210 nan 0.000 0.406 153 M N -0.336 119.021 119.600 -0.405 0.000 2.175 153 M HA -0.155 4.267 4.480 -0.097 0.000 0.264 153 M C 2.234 178.372 176.300 -0.270 0.000 1.063 153 M CA 1.568 56.658 55.300 -0.349 0.000 1.119 153 M CB -1.909 30.449 32.600 -0.403 0.000 1.377 153 M HN 0.364 nan 8.290 nan 0.000 0.415 154 H N 0.031 119.039 119.070 -0.104 0.000 2.491 154 H HA -0.006 4.491 4.556 -0.097 0.000 0.290 154 H C 1.910 177.196 175.328 -0.069 0.000 1.050 154 H CA 1.087 57.091 56.048 -0.074 0.000 1.309 154 H CB -0.126 29.598 29.762 -0.064 0.000 1.392 154 H HN 0.555 nan 8.280 nan 0.000 0.554 155 Q N -0.153 119.650 119.800 0.004 0.000 2.204 155 Q HA 0.058 4.339 4.340 -0.097 0.000 0.198 155 Q C 2.389 178.368 176.000 -0.036 0.000 0.946 155 Q CA 0.282 56.073 55.803 -0.020 0.000 0.859 155 Q CB 0.403 29.113 28.738 -0.046 0.000 0.946 155 Q HN 0.369 nan 8.270 nan 0.000 0.474 156 I N 0.579 121.113 120.570 -0.061 0.000 2.361 156 I HA -0.276 3.836 4.170 -0.097 0.000 0.251 156 I C 2.511 178.618 176.117 -0.017 0.000 1.133 156 I CA 0.952 62.229 61.300 -0.038 0.000 1.413 156 I CB -0.160 37.800 38.000 -0.068 0.000 1.073 156 I HN 0.139 nan 8.210 nan 0.000 0.424 157 R N 0.618 121.105 120.500 -0.023 0.000 2.096 157 R HA -0.148 4.134 4.340 -0.097 0.000 0.235 157 R C 2.195 178.493 176.300 -0.003 0.000 1.127 157 R CA 1.398 57.493 56.100 -0.009 0.000 0.968 157 R CB -0.063 30.242 30.300 0.009 0.000 0.861 157 R HN 0.164 nan 8.270 nan 0.000 0.440 158 V N 0.941 120.854 119.914 -0.002 0.000 2.323 158 V HA -0.207 3.854 4.120 -0.097 0.000 0.244 158 V C 2.283 178.370 176.094 -0.011 0.000 1.041 158 V CA 1.541 63.837 62.300 -0.007 0.000 1.025 158 V CB -0.376 31.442 31.823 -0.010 0.000 0.656 158 V HN 0.331 nan 8.190 nan 0.000 0.451 159 L N -0.436 120.786 121.223 -0.003 0.000 2.079 159 L HA -0.134 4.148 4.340 -0.097 0.000 0.210 159 L C 2.582 179.517 176.870 0.108 0.000 1.081 159 L CA 1.175 56.029 54.840 0.023 0.000 0.752 159 L CB -0.592 41.496 42.059 0.049 0.000 0.896 159 L HN 0.227 nan 8.230 nan 0.000 0.433 160 R N 0.196 120.732 120.500 0.060 0.000 2.339 160 R HA -0.038 4.244 4.340 -0.097 0.000 0.199 160 R C 1.319 177.597 176.300 -0.036 0.000 1.018 160 R CA 0.524 56.619 56.100 -0.008 0.000 1.036 160 R CB -0.288 29.987 30.300 -0.042 0.000 0.899 160 R HN 0.385 nan 8.270 nan 0.000 0.473 161 E N 0.153 120.337 120.200 -0.027 0.000 2.481 161 E HA 0.139 4.431 4.350 -0.097 0.000 0.198 161 E C 0.456 177.026 176.600 -0.051 0.000 1.027 161 E CA -0.175 56.205 56.400 -0.033 0.000 0.900 161 E CB 0.290 29.979 29.700 -0.019 0.000 0.993 161 E HN 0.222 nan 8.360 nan 0.000 0.482 162 L N 2.350 123.513 121.223 -0.100 0.000 2.483 162 L HA -0.042 4.240 4.340 -0.097 0.000 0.276 162 L C 1.077 177.845 176.870 -0.170 0.000 1.213 162 L CA -0.049 54.673 54.840 -0.197 0.000 0.843 162 L CB 0.361 42.101 42.059 -0.532 0.000 1.107 162 L HN -0.022 nan 8.230 nan 0.000 0.487 163 D N 0.703 121.088 120.400 -0.026 0.000 2.344 163 D HA 0.052 4.634 4.640 -0.097 0.000 0.242 163 D C -0.402 176.016 176.300 0.196 0.000 1.159 163 D CA -0.073 53.975 54.000 0.080 0.000 0.859 163 D CB -0.454 40.421 40.800 0.125 0.000 0.925 163 D HN 0.225 nan 8.370 nan 0.000 0.510 164 F N -2.312 117.716 119.950 0.130 0.000 2.601 164 F HA 0.429 4.899 4.527 -0.096 0.000 0.309 164 F C -0.496 175.432 175.800 0.213 0.000 1.089 164 F CA -1.561 56.532 58.000 0.154 0.000 0.940 164 F CB 0.977 40.062 39.000 0.141 0.000 1.273 164 F HN -0.115 nan 8.300 nan 0.000 0.450 165 H N 3.041 122.237 119.070 0.211 0.000 2.582 165 H HA 0.562 5.060 4.556 -0.097 0.000 0.345 165 H C -1.537 173.911 175.328 0.200 0.000 1.104 165 H CA -0.178 55.880 56.048 0.017 0.000 1.390 165 H CB 1.320 31.070 29.762 -0.020 0.000 1.461 165 H HN 0.764 nan 8.280 nan 0.000 0.551 166 F N 1.185 120.787 119.950 -0.580 0.000 2.668 166 F HA 0.312 4.781 4.527 -0.097 0.000 0.309 166 F C -1.553 173.953 175.800 -0.492 0.000 1.117 166 F CA -1.279 56.507 58.000 -0.358 0.000 0.951 166 F CB 1.072 40.030 39.000 -0.071 0.000 1.323 166 F HN 0.273 nan 8.300 nan 0.000 0.451 167 Q N 2.207 121.952 119.800 -0.091 0.000 2.261 167 Q HA 0.429 4.710 4.340 -0.097 0.000 0.252 167 Q C -1.169 174.854 176.000 0.038 0.000 0.915 167 Q CA -0.575 55.147 55.803 -0.134 0.000 0.915 167 Q CB 2.052 30.714 28.738 -0.127 0.000 1.204 167 Q HN 0.811 nan 8.270 nan 0.000 0.421 168 L N 3.441 124.634 121.223 -0.050 0.000 2.272 168 L HA 0.447 4.729 4.340 -0.097 0.000 0.289 168 L C -1.143 175.616 176.870 -0.184 0.000 1.032 168 L CA -0.455 54.390 54.840 0.007 0.000 0.810 168 L CB 1.487 43.580 42.059 0.056 0.000 1.205 168 L HN 0.314 nan 8.230 nan 0.000 0.422 169 V N 6.098 125.869 119.914 -0.238 0.000 2.628 169 V HA 0.561 4.623 4.120 -0.097 0.000 0.306 169 V C -0.254 175.724 176.094 -0.193 0.000 1.045 169 V CA -0.659 61.401 62.300 -0.400 0.000 0.905 169 V CB 1.977 33.433 31.823 -0.611 0.000 0.997 169 V HN 0.529 nan 8.190 nan 0.000 0.436 170 I N 3.131 123.626 120.570 -0.125 0.000 2.474 170 I HA 0.486 4.598 4.170 -0.097 0.000 0.294 170 I C -0.599 175.547 176.117 0.050 0.000 1.005 170 I CA -0.442 60.859 61.300 0.002 0.000 1.113 170 I CB 1.872 39.922 38.000 0.083 0.000 1.289 170 I HN 0.590 nan 8.210 nan 0.000 0.436 171 D N 4.532 124.981 120.400 0.082 0.000 2.440 171 D HA 0.520 5.102 4.640 -0.097 0.000 0.239 171 D C 0.262 176.631 176.300 0.115 0.000 1.084 171 D CA -0.337 53.716 54.000 0.088 0.000 0.843 171 D CB 2.036 42.882 40.800 0.077 0.000 1.097 171 D HN 0.625 nan 8.370 nan 0.000 0.531 172 A N 3.623 126.472 122.820 0.050 0.000 2.275 172 A HA 0.101 4.363 4.320 -0.097 0.000 0.212 172 A C 0.770 178.315 177.584 -0.065 0.000 1.201 172 A CA -0.102 51.912 52.037 -0.038 0.000 0.843 172 A CB -0.606 18.215 19.000 -0.298 0.000 0.873 172 A HN 0.772 nan 8.150 nan 0.000 0.492 173 N N 0.878 119.574 118.700 -0.007 0.000 2.708 173 N HA -0.208 4.474 4.740 -0.097 0.000 0.251 173 N C -0.410 175.092 175.510 -0.014 0.000 1.017 173 N CA 0.931 53.989 53.050 0.013 0.000 0.742 173 N CB -1.567 36.947 38.487 0.045 0.000 0.943 173 N HN 0.709 nan 8.380 nan 0.000 0.539 174 E N -2.436 117.732 120.200 -0.054 0.000 2.328 174 E HA -0.293 3.998 4.350 -0.097 0.000 0.233 174 E C 0.267 176.841 176.600 -0.044 0.000 1.219 174 E CA 0.813 57.186 56.400 -0.045 0.000 0.717 174 E CB -1.471 28.231 29.700 0.002 0.000 1.210 174 E HN 0.761 nan 8.360 nan 0.000 0.381 175 S N -1.495 114.140 115.700 -0.108 0.000 2.603 175 S HA 0.247 4.659 4.470 -0.097 0.000 0.232 175 S C 0.648 175.167 174.600 -0.134 0.000 1.016 175 S CA -0.562 57.584 58.200 -0.090 0.000 0.976 175 S CB 0.466 63.624 63.200 -0.070 0.000 0.921 175 S HN 0.212 nan 8.310 nan 0.000 0.516 176 L N 2.638 123.729 121.223 -0.220 0.000 2.421 176 L HA 0.615 4.896 4.340 -0.097 0.000 0.263 176 L C -0.046 176.935 176.870 0.186 0.000 1.122 176 L CA -0.680 54.047 54.840 -0.189 0.000 0.804 176 L CB 0.651 42.380 42.059 -0.549 0.000 1.150 176 L HN 0.373 nan 8.230 nan 0.000 0.457 177 D N -1.159 119.339 120.400 0.163 0.000 2.714 177 D HA 0.314 4.896 4.640 -0.097 0.000 0.278 177 D C 0.490 176.786 176.300 -0.007 0.000 1.102 177 D CA -0.861 53.205 54.000 0.109 0.000 1.108 177 D CB 0.811 41.609 40.800 -0.003 0.000 1.444 177 D HN 0.207 nan 8.370 nan 0.000 0.568 178 R N -0.947 119.351 120.500 -0.336 0.000 2.170 178 R HA -0.115 4.167 4.340 -0.097 0.000 0.242 178 R C 1.356 177.256 176.300 -0.667 0.000 1.145 178 R CA 1.161 56.682 56.100 -0.965 0.000 0.984 178 R CB -0.260 29.610 30.300 -0.718 0.000 0.869 178 R HN 0.459 nan 8.270 nan 0.000 0.455 179 Q N 0.253 119.905 119.800 -0.246 0.000 2.435 179 Q HA -0.061 4.221 4.340 -0.097 0.000 0.207 179 Q C 0.613 176.641 176.000 0.048 0.000 0.956 179 Q CA 0.901 56.651 55.803 -0.089 0.000 0.917 179 Q CB 0.189 28.909 28.738 -0.029 0.000 0.997 179 Q HN 0.377 nan 8.270 nan 0.000 0.497 180 D N -0.656 119.815 120.400 0.118 0.000 2.349 180 D HA 0.025 4.607 4.640 -0.097 0.000 0.214 180 D C 1.142 177.700 176.300 0.430 0.000 1.063 180 D CA -0.060 54.102 54.000 0.271 0.000 0.847 180 D CB 0.092 40.970 40.800 0.129 0.000 0.933 180 D HN 0.082 nan 8.370 nan 0.000 0.513 181 F N 1.991 122.029 119.950 0.147 0.000 2.065 181 F HA -0.187 4.281 4.527 -0.097 0.000 0.298 181 F C 2.593 178.472 175.800 0.131 0.000 1.112 181 F CA 0.930 59.016 58.000 0.143 0.000 1.212 181 F CB -1.421 37.637 39.000 0.098 0.000 0.975 181 F HN -0.050 nan 8.300 nan 0.000 0.476 182 T N -0.683 114.062 114.554 0.319 0.000 2.684 182 T HA -0.293 3.999 4.350 -0.097 0.000 0.267 182 T C 1.968 176.777 174.700 0.181 0.000 1.036 182 T CA 1.795 64.015 62.100 0.200 0.000 1.148 182 T CB -0.395 68.559 68.868 0.143 0.000 0.863 182 T HN 0.295 nan 8.240 nan 0.000 0.436 183 Q N 0.000 119.937 119.800 0.228 0.000 2.167 183 Q HA 0.045 4.326 4.340 -0.097 0.000 0.202 183 Q C 2.257 178.419 176.000 0.270 0.000 0.970 183 Q CA 0.845 56.773 55.803 0.208 0.000 0.855 183 Q CB -0.227 28.658 28.738 0.245 0.000 0.911 183 Q HN 0.484 nan 8.270 nan 0.000 0.438 184 L N 0.214 121.657 121.223 0.368 0.000 2.083 184 L HA -0.237 4.045 4.340 -0.097 0.000 0.209 184 L C 2.403 179.367 176.870 0.157 0.000 1.083 184 L CA 1.390 56.409 54.840 0.298 0.000 0.752 184 L CB -0.226 41.947 42.059 0.189 0.000 0.899 184 L HN 0.339 nan 8.230 nan 0.000 0.433 185 Q N -0.908 118.968 119.800 0.127 0.000 2.172 185 Q HA -0.180 4.102 4.340 -0.097 0.000 0.200 185 Q C 2.156 178.192 176.000 0.060 0.000 0.964 185 Q CA 0.865 56.714 55.803 0.076 0.000 0.855 185 Q CB -0.012 28.769 28.738 0.071 0.000 0.918 185 Q HN 0.322 nan 8.270 nan 0.000 0.444 186 L N 0.364 121.625 121.223 0.064 0.000 2.156 186 L HA -0.114 4.168 4.340 -0.097 0.000 0.208 186 L C 1.931 178.807 176.870 0.010 0.000 1.095 186 L CA 1.067 55.924 54.840 0.028 0.000 0.770 186 L CB -0.344 41.724 42.059 0.015 0.000 0.914 186 L HN 0.206 nan 8.230 nan 0.000 0.439 187 L N -0.541 120.698 121.223 0.027 0.000 2.201 187 L HA -0.054 4.227 4.340 -0.097 0.000 0.212 187 L C 2.398 179.276 176.870 0.013 0.000 1.105 187 L CA 1.675 56.520 54.840 0.008 0.000 0.775 187 L CB -0.811 41.281 42.059 0.056 0.000 0.913 187 L HN 0.242 nan 8.230 nan 0.000 0.440 188 A N -0.641 122.195 122.820 0.028 0.000 2.070 188 A HA -0.156 4.105 4.320 -0.097 0.000 0.220 188 A C 2.214 179.801 177.584 0.006 0.000 1.159 188 A CA 1.252 53.302 52.037 0.020 0.000 0.656 188 A CB -0.505 18.511 19.000 0.026 0.000 0.800 188 A HN 0.515 nan 8.150 nan 0.000 0.453 189 R N -0.285 120.214 120.500 -0.001 0.000 2.334 189 R HA 0.087 4.369 4.340 -0.097 0.000 0.220 189 R C 0.032 176.318 176.300 -0.023 0.000 0.917 189 R CA 0.186 56.281 56.100 -0.009 0.000 1.073 189 R CB 0.253 30.548 30.300 -0.008 0.000 1.056 189 R HN 0.319 nan 8.270 nan 0.000 0.506 190 E N 0.897 121.079 120.200 -0.029 0.000 2.496 190 E HA 0.022 4.313 4.350 -0.097 0.000 0.200 190 E C -0.444 176.122 176.600 -0.057 0.000 1.016 190 E CA -0.168 56.204 56.400 -0.047 0.000 0.962 190 E CB 0.625 30.292 29.700 -0.054 0.000 1.071 190 E HN 0.091 nan 8.360 nan 0.000 0.457 191 Q N -0.802 118.972 119.800 -0.044 0.000 2.452 191 Q HA -0.150 4.132 4.340 -0.097 0.000 0.318 191 Q C -0.497 175.462 176.000 -0.068 0.000 1.386 191 Q CA 0.304 56.078 55.803 -0.049 0.000 0.872 191 Q CB -2.249 26.452 28.738 -0.062 0.000 1.151 191 Q HN 0.022 nan 8.270 nan 0.000 0.417 192 V N 1.180 121.063 119.914 -0.052 0.000 2.432 192 V HA 0.069 4.130 4.120 -0.097 0.000 0.271 192 V C 1.419 177.466 176.094 -0.078 0.000 1.046 192 V CA -0.113 62.143 62.300 -0.073 0.000 0.945 192 V CB 1.164 32.963 31.823 -0.041 0.000 0.992 192 V HN 0.531 nan 8.190 nan 0.000 0.471 193 L N 6.788 127.911 121.223 -0.166 0.000 2.042 193 L HA 0.007 4.289 4.340 -0.097 0.000 0.210 193 L C 0.311 177.180 176.870 -0.002 0.000 1.076 193 L CA 1.862 56.601 54.840 -0.168 0.000 0.749 193 L CB -0.286 41.541 42.059 -0.388 0.000 0.893 193 L HN 0.829 nan 8.230 nan 0.000 0.432 194 Y N -3.595 116.666 120.300 -0.065 0.000 2.687 194 Y HA 0.432 4.923 4.550 -0.098 0.000 0.338 194 Y C -1.149 174.743 175.900 -0.012 0.000 1.189 194 Y CA -2.169 55.917 58.100 -0.023 0.000 1.097 194 Y CB 0.210 38.666 38.460 -0.006 0.000 1.342 194 Y HN -0.114 nan 8.280 nan 0.000 0.461 195 I N 2.501 123.196 120.570 0.209 0.000 2.389 195 I HA 0.444 4.556 4.170 -0.097 0.000 0.288 195 I C -0.893 175.315 176.117 0.151 0.000 0.999 195 I CA -0.585 60.790 61.300 0.125 0.000 1.129 195 I CB 1.419 39.456 38.000 0.062 0.000 1.288 195 I HN 0.820 nan 8.210 nan 0.000 0.444 196 E N 7.071 127.364 120.200 0.155 0.000 2.259 196 E HA 0.108 4.400 4.350 -0.097 0.000 0.281 196 E C -0.547 176.058 176.600 0.008 0.000 1.037 196 E CA -0.299 56.168 56.400 0.111 0.000 0.854 196 E CB 0.531 30.315 29.700 0.139 0.000 1.051 196 E HN 0.450 nan 8.360 nan 0.000 0.409 197 E N 2.491 122.677 120.200 -0.023 0.000 2.202 197 E HA -0.194 4.098 4.350 -0.097 0.000 0.169 197 E C -1.849 174.636 176.600 -0.193 0.000 1.536 197 E CA 0.183 56.538 56.400 -0.075 0.000 0.664 197 E CB -0.743 28.940 29.700 -0.028 0.000 1.064 197 E HN 0.542 nan 8.360 nan 0.000 0.327 198 P HA -0.131 nan 4.420 nan 0.000 0.217 198 P C 0.405 177.203 177.300 -0.836 0.000 1.150 198 P CA 1.324 63.980 63.100 -0.741 0.000 0.832 198 P CB 0.133 31.206 31.700 -1.046 0.000 0.787 199 F N -1.151 118.736 119.950 -0.106 0.000 2.532 199 F HA 0.431 4.900 4.527 -0.097 0.000 0.321 199 F C 1.585 177.335 175.800 -0.082 0.000 1.089 199 F CA -1.152 56.794 58.000 -0.091 0.000 0.926 199 F CB 1.126 40.081 39.000 -0.074 0.000 1.168 199 F HN -0.394 nan 8.300 nan 0.000 0.459 200 K N 0.647 121.122 120.400 0.125 0.000 2.057 200 K HA -0.123 4.139 4.320 -0.097 0.000 0.206 200 K C 0.217 176.835 176.600 0.029 0.000 1.050 200 K CA 1.413 57.729 56.287 0.050 0.000 0.935 200 K CB -0.120 32.403 32.500 0.037 0.000 0.715 200 K HN 0.527 nan 8.250 nan 0.000 0.439 201 D N 0.686 121.108 120.400 0.036 0.000 2.411 201 D HA -0.007 4.575 4.640 -0.097 0.000 0.225 201 D C 0.910 177.163 176.300 -0.080 0.000 1.156 201 D CA -0.119 53.859 54.000 -0.036 0.000 0.874 201 D CB 0.287 41.056 40.800 -0.052 0.000 1.034 201 D HN 0.265 nan 8.370 nan 0.000 0.502 202 I N 3.082 123.548 120.570 -0.174 0.000 2.530 202 I HA -0.278 3.834 4.170 -0.097 0.000 0.257 202 I C 1.852 177.639 176.117 -0.550 0.000 1.179 202 I CA 1.147 62.244 61.300 -0.338 0.000 1.440 202 I CB 0.168 37.854 38.000 -0.523 0.000 1.087 202 I HN 0.356 nan 8.210 nan 0.000 0.440 203 S N 0.230 115.663 115.700 -0.445 0.000 2.474 203 S HA -0.162 4.250 4.470 -0.097 0.000 0.235 203 S C 1.894 176.399 174.600 -0.158 0.000 0.997 203 S CA 0.626 58.684 58.200 -0.236 0.000 0.949 203 S CB -0.314 62.862 63.200 -0.040 0.000 0.766 203 S HN 0.419 nan 8.310 nan 0.000 0.517 204 M N 1.043 120.489 119.600 -0.257 0.000 2.358 204 M HA 0.082 4.503 4.480 -0.097 0.000 0.264 204 M C 1.885 177.955 176.300 -0.385 0.000 1.064 204 M CA 0.861 55.912 55.300 -0.415 0.000 1.093 204 M CB -1.145 30.904 32.600 -0.919 0.000 1.401 204 M HN 0.422 nan 8.290 nan 0.000 0.440 205 L N -0.115 121.002 121.223 -0.177 0.000 2.191 205 L HA -0.218 4.064 4.340 -0.097 0.000 0.212 205 L C 1.258 178.108 176.870 -0.033 0.000 1.103 205 L CA 1.075 55.901 54.840 -0.023 0.000 0.769 205 L CB -0.765 41.337 42.059 0.071 0.000 0.908 205 L HN 0.283 nan 8.230 nan 0.000 0.438 206 D N -0.353 120.046 120.400 -0.002 0.000 2.348 206 D HA -0.132 4.450 4.640 -0.097 0.000 0.216 206 D C 1.687 177.979 176.300 -0.014 0.000 0.970 206 D CA 0.611 54.626 54.000 0.026 0.000 0.889 206 D CB 0.052 40.895 40.800 0.071 0.000 0.912 206 D HN 0.374 nan 8.370 nan 0.000 0.524 207 E N 0.083 120.249 120.200 -0.057 0.000 2.478 207 E HA 0.026 4.318 4.350 -0.097 0.000 0.194 207 E C 0.230 176.776 176.600 -0.089 0.000 1.045 207 E CA 0.077 56.473 56.400 -0.006 0.000 0.868 207 E CB 0.602 30.386 29.700 0.139 0.000 0.885 207 E HN 0.212 nan 8.360 nan 0.000 0.505 208 V N -1.994 117.784 119.914 -0.228 0.000 2.628 208 V HA 0.711 4.773 4.120 -0.097 0.000 0.306 208 V C -0.043 175.988 176.094 -0.105 0.000 1.045 208 V CA -1.432 60.714 62.300 -0.256 0.000 0.905 208 V CB 1.538 33.084 31.823 -0.462 0.000 0.997 208 V HN -0.019 nan 8.190 nan 0.000 0.436 209 A N 2.905 125.690 122.820 -0.060 0.000 2.548 209 A HA 0.144 4.406 4.320 -0.097 0.000 0.247 209 A C 0.494 178.067 177.584 -0.019 0.000 1.067 209 A CA 0.280 52.304 52.037 -0.023 0.000 0.757 209 A CB -0.296 18.701 19.000 -0.005 0.000 0.996 209 A HN 1.075 nan 8.150 nan 0.000 0.504 210 D N 2.195 122.591 120.400 -0.005 0.000 2.450 210 D HA 0.282 4.864 4.640 -0.097 0.000 0.247 210 D C 1.293 177.599 176.300 0.009 0.000 1.162 210 D CA 1.744 55.747 54.000 0.005 0.000 0.879 210 D CB 0.410 41.218 40.800 0.014 0.000 1.163 210 D HN 1.136 nan 8.370 nan 0.000 0.472 211 G N 2.909 111.717 108.800 0.014 0.000 2.194 211 G HA2 -0.301 3.601 3.960 -0.097 0.000 0.236 211 G HA3 -0.301 3.601 3.960 -0.097 0.000 0.236 211 G C 0.918 175.827 174.900 0.015 0.000 0.987 211 G CA 0.731 45.842 45.100 0.018 0.000 0.635 211 G HN 0.677 nan 8.290 nan 0.000 0.520 212 T N -1.013 113.546 114.554 0.008 0.000 3.086 212 T HA 0.602 4.894 4.350 -0.097 0.000 0.250 212 T C 1.048 175.756 174.700 0.014 0.000 1.074 212 T CA 0.646 62.752 62.100 0.010 0.000 0.988 212 T CB -0.057 68.815 68.868 0.006 0.000 0.988 212 T HN 1.383 nan 8.240 nan 0.000 0.530 213 I N -2.306 118.271 120.570 0.012 0.000 3.002 213 I HA 0.752 4.864 4.170 -0.097 0.000 0.310 213 I C -3.116 173.019 176.117 0.031 0.000 1.087 213 I CA -3.438 57.875 61.300 0.021 0.000 1.017 213 I CB 1.330 39.332 38.000 0.003 0.000 1.226 213 I HN -0.320 nan 8.210 nan 0.000 0.443 214 P HA 0.267 nan 4.420 nan 0.000 0.271 214 P C -2.575 174.763 177.300 0.064 0.000 1.233 214 P CA -0.766 62.364 63.100 0.050 0.000 0.789 214 P CB -0.388 31.342 31.700 0.050 0.000 0.951 215 P HA 0.034 nan 4.420 nan 0.000 0.265 215 P C -0.456 176.915 177.300 0.119 0.000 1.193 215 P CA 0.590 63.755 63.100 0.110 0.000 0.765 215 P CB 0.137 31.930 31.700 0.155 0.000 0.823 216 I N 2.227 122.846 120.570 0.080 0.000 2.396 216 I HA 0.495 4.607 4.170 -0.097 0.000 0.292 216 I C 0.637 176.777 176.117 0.038 0.000 0.999 216 I CA -0.743 60.592 61.300 0.059 0.000 1.310 216 I CB 0.659 38.682 38.000 0.038 0.000 1.404 216 I HN 0.322 nan 8.210 nan 0.000 0.496 217 A N 7.227 130.067 122.820 0.032 0.000 2.380 217 A HA 0.844 5.105 4.320 -0.097 0.000 0.315 217 A C -0.738 176.834 177.584 -0.020 0.000 1.101 217 A CA -0.633 51.378 52.037 -0.043 0.000 0.771 217 A CB 1.385 20.306 19.000 -0.132 0.000 1.287 217 A HN 0.653 nan 8.150 nan 0.000 0.436 218 L N 1.275 122.474 121.223 -0.040 0.000 2.309 218 L HA 0.449 4.730 4.340 -0.097 0.000 0.282 218 L C 0.397 177.258 176.870 -0.015 0.000 1.036 218 L CA -0.393 54.434 54.840 -0.021 0.000 0.806 218 L CB 1.562 43.607 42.059 -0.024 0.000 1.220 218 L HN 1.001 nan 8.230 nan 0.000 0.429 219 D N 0.365 120.771 120.400 0.009 0.000 2.957 219 D HA -0.027 4.554 4.640 -0.097 0.000 0.175 219 D C 1.367 177.697 176.300 0.049 0.000 1.502 219 D CA 0.206 54.227 54.000 0.035 0.000 1.524 219 D CB 0.307 41.145 40.800 0.064 0.000 1.300 219 D HN 0.438 nan 8.370 nan 0.000 0.241 220 E N 0.854 121.093 120.200 0.065 0.000 2.160 220 E HA -0.084 4.208 4.350 -0.097 0.000 0.195 220 E C 1.648 178.245 176.600 -0.005 0.000 0.991 220 E CA 1.209 57.647 56.400 0.063 0.000 0.810 220 E CB -0.016 29.724 29.700 0.067 0.000 0.742 220 E HN 0.301 nan 8.360 nan 0.000 0.466 221 K N -0.239 120.156 120.400 -0.009 0.000 2.487 221 K HA 0.203 4.465 4.320 -0.097 0.000 0.192 221 K C 0.379 176.958 176.600 -0.036 0.000 1.027 221 K CA 0.430 56.701 56.287 -0.027 0.000 1.054 221 K CB 0.526 33.014 32.500 -0.020 0.000 0.824 221 K HN -0.026 nan 8.250 nan 0.000 0.510 222 A N 2.067 124.865 122.820 -0.036 0.000 3.063 222 A HA 0.045 4.306 4.320 -0.097 0.000 0.263 222 A C 1.317 178.856 177.584 -0.075 0.000 1.736 222 A CA -0.215 51.791 52.037 -0.052 0.000 1.408 222 A CB -0.784 18.185 19.000 -0.052 0.000 1.108 222 A HN 0.308 nan 8.150 nan 0.000 0.621 223 T N -1.673 112.836 114.554 -0.076 0.000 2.942 223 T HA 0.148 4.440 4.350 -0.097 0.000 0.265 223 T C 0.873 175.523 174.700 -0.083 0.000 1.062 223 T CA 0.952 62.999 62.100 -0.089 0.000 1.139 223 T CB -0.362 68.459 68.868 -0.078 0.000 0.883 223 T HN 1.223 nan 8.240 nan 0.000 0.468 224 S N -0.505 115.151 115.700 -0.072 0.000 2.565 224 S HA 0.529 4.941 4.470 -0.097 0.000 0.269 224 S C 0.240 174.801 174.600 -0.065 0.000 1.153 224 S CA -0.747 57.414 58.200 -0.065 0.000 0.835 224 S CB 1.487 64.659 63.200 -0.045 0.000 1.122 224 S HN 0.043 nan 8.310 nan 0.000 0.462 225 L N 1.572 122.757 121.223 -0.062 0.000 2.012 225 L HA 0.073 4.355 4.340 -0.097 0.000 0.210 225 L C 2.087 178.915 176.870 -0.070 0.000 1.073 225 L CA 1.767 56.569 54.840 -0.063 0.000 0.748 225 L CB -1.129 40.899 42.059 -0.051 0.000 0.891 225 L HN 0.857 nan 8.230 nan 0.000 0.431 226 L N -0.803 120.386 121.223 -0.057 0.000 2.012 226 L HA -0.229 4.053 4.340 -0.097 0.000 0.210 226 L C 2.277 179.109 176.870 -0.064 0.000 1.073 226 L CA 1.504 56.309 54.840 -0.058 0.000 0.748 226 L CB -0.863 41.172 42.059 -0.041 0.000 0.891 226 L HN 0.288 nan 8.230 nan 0.000 0.431 227 D N 0.095 120.463 120.400 -0.054 0.000 2.144 227 D HA -0.109 4.472 4.640 -0.097 0.000 0.200 227 D C 2.292 178.563 176.300 -0.049 0.000 0.978 227 D CA 1.076 55.050 54.000 -0.044 0.000 0.833 227 D CB -0.025 40.752 40.800 -0.038 0.000 0.961 227 D HN 0.293 nan 8.370 nan 0.000 0.470 228 I N 0.635 121.167 120.570 -0.064 0.000 2.226 228 I HA -0.234 3.878 4.170 -0.097 0.000 0.245 228 I C 2.320 178.374 176.117 -0.105 0.000 1.100 228 I CA 0.767 62.025 61.300 -0.070 0.000 1.374 228 I CB -0.127 37.827 38.000 -0.077 0.000 1.057 228 I HN -0.031 nan 8.210 nan 0.000 0.413 229 I N 0.727 121.201 120.570 -0.160 0.000 2.226 229 I HA -0.289 3.822 4.170 -0.097 0.000 0.245 229 I C 2.194 178.193 176.117 -0.196 0.000 1.100 229 I CA 1.198 62.325 61.300 -0.288 0.000 1.374 229 I CB -0.559 37.228 38.000 -0.355 0.000 1.057 229 I HN 0.308 nan 8.210 nan 0.000 0.413 230 N N 0.955 119.587 118.700 -0.113 0.000 2.120 230 N HA -0.128 4.554 4.740 -0.097 0.000 0.188 230 N C 1.951 177.435 175.510 -0.043 0.000 1.024 230 N CA 1.318 54.325 53.050 -0.071 0.000 0.852 230 N CB -0.333 38.130 38.487 -0.040 0.000 1.003 230 N HN 0.345 nan 8.380 nan 0.000 0.424 231 L N 0.534 121.760 121.223 0.006 0.000 2.109 231 L HA -0.011 4.270 4.340 -0.097 0.000 0.207 231 L C 2.158 179.078 176.870 0.084 0.000 1.086 231 L CA 0.631 55.542 54.840 0.119 0.000 0.760 231 L CB -0.279 41.856 42.059 0.126 0.000 0.910 231 L HN 0.082 nan 8.230 nan 0.000 0.437 232 I N -0.409 120.159 120.570 -0.004 0.000 2.286 232 I HA -0.225 3.887 4.170 -0.097 0.000 0.248 232 I C 2.377 178.479 176.117 -0.026 0.000 1.115 232 I CA 1.008 62.302 61.300 -0.010 0.000 1.392 232 I CB -0.218 37.747 38.000 -0.058 0.000 1.065 232 I HN 0.260 nan 8.210 nan 0.000 0.418 233 E N 0.466 120.626 120.200 -0.066 0.000 2.347 233 E HA -0.058 4.233 4.350 -0.097 0.000 0.196 233 E C 2.137 178.654 176.600 -0.139 0.000 1.008 233 E CA 0.893 57.255 56.400 -0.064 0.000 0.852 233 E CB 0.160 29.826 29.700 -0.056 0.000 0.783 233 E HN 0.538 nan 8.360 nan 0.000 0.505 234 L N -1.311 119.761 121.223 -0.251 0.000 2.425 234 L HA 0.102 4.384 4.340 -0.097 0.000 0.215 234 L C 0.202 176.641 176.870 -0.718 0.000 1.065 234 L CA 0.279 54.781 54.840 -0.563 0.000 0.842 234 L CB 0.240 41.773 42.059 -0.878 0.000 1.033 234 L HN -0.030 nan 8.230 nan 0.000 0.474 235 Y N -1.476 118.822 120.300 -0.003 0.000 2.602 235 Y HA 0.284 4.776 4.550 -0.097 0.000 0.342 235 Y C 0.124 176.027 175.900 0.006 0.000 1.029 235 Y CA -1.689 56.413 58.100 0.003 0.000 1.080 235 Y CB 0.598 39.063 38.460 0.009 0.000 1.284 235 Y HN -0.214 nan 8.280 nan 0.000 0.485 236 N N 0.952 119.759 118.700 0.178 0.000 2.671 236 N HA 0.226 4.908 4.740 -0.097 0.000 0.274 236 N C -1.690 173.876 175.510 0.093 0.000 1.188 236 N CA 0.186 53.296 53.050 0.101 0.000 1.065 236 N CB -0.239 38.294 38.487 0.078 0.000 1.415 236 N HN 0.413 nan 8.380 nan 0.000 0.511 237 V N 3.579 123.542 119.914 0.082 0.000 2.435 237 V HA 0.279 4.341 4.120 -0.097 0.000 0.290 237 V C 0.946 177.062 176.094 0.036 0.000 1.030 237 V CA -0.496 61.838 62.300 0.057 0.000 0.881 237 V CB 1.779 33.634 31.823 0.053 0.000 0.983 237 V HN 0.550 nan 8.190 nan 0.000 0.445 238 K N 2.550 122.967 120.400 0.028 0.000 2.435 238 K HA 0.366 4.628 4.320 -0.097 0.000 0.199 238 K C -0.372 176.225 176.600 -0.004 0.000 1.153 238 K CA 0.307 56.610 56.287 0.026 0.000 0.974 238 K CB 1.453 33.988 32.500 0.058 0.000 0.997 238 K HN 0.473 nan 8.250 nan 0.000 0.547 239 V N 1.598 121.483 119.914 -0.049 0.000 2.789 239 V HA 0.382 4.444 4.120 -0.097 0.000 0.311 239 V C -0.864 175.141 176.094 -0.148 0.000 1.073 239 V CA -0.945 61.269 62.300 -0.143 0.000 0.921 239 V CB 2.358 33.956 31.823 -0.374 0.000 1.009 239 V HN -0.252 nan 8.190 nan 0.000 0.426 240 V N 4.045 123.876 119.914 -0.139 0.000 2.525 240 V HA 0.404 4.466 4.120 -0.097 0.000 0.299 240 V C -0.382 175.652 176.094 -0.101 0.000 1.034 240 V CA -0.673 61.565 62.300 -0.102 0.000 0.863 240 V CB 2.129 33.909 31.823 -0.072 0.000 0.999 240 V HN 0.604 nan 8.190 nan 0.000 0.423 241 V N 6.647 126.513 119.914 -0.080 0.000 2.353 241 V HA 0.338 4.400 4.120 -0.097 0.000 0.264 241 V C 0.072 176.140 176.094 -0.043 0.000 1.049 241 V CA -0.161 62.112 62.300 -0.045 0.000 0.896 241 V CB 0.856 32.675 31.823 -0.005 0.000 1.025 241 V HN 0.595 nan 8.190 nan 0.000 0.475 242 L N 5.887 127.080 121.223 -0.049 0.000 2.275 242 L HA 0.503 4.785 4.340 -0.097 0.000 0.288 242 L C 0.239 177.061 176.870 -0.080 0.000 1.046 242 L CA -0.416 54.381 54.840 -0.072 0.000 0.805 242 L CB 1.229 43.246 42.059 -0.070 0.000 1.193 242 L HN 0.521 nan 8.230 nan 0.000 0.426 243 K N 4.588 124.896 120.400 -0.153 0.000 2.293 243 K HA 0.278 4.540 4.320 -0.097 0.000 0.267 243 K C -1.808 174.627 176.600 -0.275 0.000 1.010 243 K CA -1.646 54.517 56.287 -0.207 0.000 0.875 243 K CB 1.888 34.158 32.500 -0.383 0.000 1.106 243 K HN 0.196 nan 8.250 nan 0.000 0.450 244 P HA -0.242 nan 4.420 nan 0.000 0.216 244 P C 0.950 178.214 177.300 -0.061 0.000 1.154 244 P CA 1.356 64.419 63.100 -0.062 0.000 0.865 244 P CB 0.015 31.722 31.700 0.011 0.000 0.789 245 F N -0.627 119.308 119.950 -0.026 0.000 2.269 245 F HA -0.041 4.428 4.527 -0.096 0.000 0.301 245 F C 1.959 177.744 175.800 -0.025 0.000 1.082 245 F CA 0.935 58.911 58.000 -0.040 0.000 1.360 245 F CB -1.179 37.789 39.000 -0.053 0.000 1.041 245 F HN -0.260 nan 8.300 nan 0.000 0.512 246 R N 0.764 120.841 120.500 -0.705 0.000 2.189 246 R HA 0.083 4.365 4.340 -0.097 0.000 0.218 246 R C 1.907 178.100 176.300 -0.178 0.000 1.074 246 R CA 1.085 56.932 56.100 -0.420 0.000 0.991 246 R CB -0.318 29.673 30.300 -0.516 0.000 0.883 246 R HN 0.425 nan 8.270 nan 0.000 0.457 247 L N -1.236 119.893 121.223 -0.157 0.000 2.509 247 L HA 0.177 4.459 4.340 -0.097 0.000 0.222 247 L C 1.231 178.068 176.870 -0.054 0.000 1.123 247 L CA 0.569 55.355 54.840 -0.090 0.000 0.856 247 L CB 0.380 42.388 42.059 -0.085 0.000 0.985 247 L HN 0.432 nan 8.230 nan 0.000 0.456 248 G N -0.626 108.152 108.800 -0.037 0.000 2.192 248 G HA2 0.015 3.917 3.960 -0.097 0.000 0.193 248 G HA3 0.015 3.917 3.960 -0.097 0.000 0.193 248 G C 0.444 175.328 174.900 -0.028 0.000 0.999 248 G CA -0.313 44.773 45.100 -0.024 0.000 0.659 248 G HN 0.777 nan 8.290 nan 0.000 0.503 249 G N -1.285 107.502 108.800 -0.021 0.000 2.347 249 G HA2 0.304 4.205 3.960 -0.097 0.000 0.477 249 G HA3 0.304 4.205 3.960 -0.097 0.000 0.477 249 G C 0.718 175.597 174.900 -0.034 0.000 1.349 249 G CA -0.100 44.984 45.100 -0.027 0.000 1.000 249 G HN 0.823 nan 8.290 nan 0.000 0.605 250 I N 0.629 121.166 120.570 -0.055 0.000 2.185 250 I HA -0.228 3.883 4.170 -0.097 0.000 0.246 250 I C 2.654 178.764 176.117 -0.012 0.000 1.088 250 I CA 2.356 63.610 61.300 -0.076 0.000 1.347 250 I CB -0.222 37.656 38.000 -0.204 0.000 1.041 250 I HN 0.752 nan 8.210 nan 0.000 0.415 251 D N 0.782 121.209 120.400 0.045 0.000 2.350 251 D HA -0.171 4.410 4.640 -0.097 0.000 0.216 251 D C 1.519 177.829 176.300 0.017 0.000 0.968 251 D CA 0.884 54.929 54.000 0.075 0.000 0.894 251 D CB -0.213 40.617 40.800 0.049 0.000 0.909 251 D HN 0.310 nan 8.370 nan 0.000 0.520 252 K N 0.382 120.776 120.400 -0.010 0.000 2.353 252 K HA 0.143 4.405 4.320 -0.097 0.000 0.195 252 K C 2.033 178.618 176.600 -0.025 0.000 1.031 252 K CA -0.066 56.208 56.287 -0.022 0.000 1.079 252 K CB 0.761 33.241 32.500 -0.033 0.000 0.857 252 K HN 0.102 nan 8.250 nan 0.000 0.535 253 V N 1.238 121.137 119.914 -0.025 0.000 2.270 253 V HA -0.250 3.812 4.120 -0.097 0.000 0.245 253 V C 2.539 178.617 176.094 -0.026 0.000 1.043 253 V CA 1.812 64.093 62.300 -0.033 0.000 1.014 253 V CB -0.344 31.455 31.823 -0.041 0.000 0.645 253 V HN 0.235 nan 8.190 nan 0.000 0.447 254 Q N 0.899 120.690 119.800 -0.014 0.000 2.061 254 Q HA -0.217 4.065 4.340 -0.097 0.000 0.204 254 Q C 2.348 178.342 176.000 -0.010 0.000 0.984 254 Q CA 2.957 58.753 55.803 -0.011 0.000 0.846 254 Q CB -0.882 27.859 28.738 0.004 0.000 0.902 254 Q HN 0.827 nan 8.270 nan 0.000 0.421 255 T N -2.031 112.519 114.554 -0.006 0.000 2.759 255 T HA -0.122 4.170 4.350 -0.097 0.000 0.269 255 T C 1.850 176.545 174.700 -0.008 0.000 1.042 255 T CA 1.550 63.647 62.100 -0.006 0.000 1.140 255 T CB -0.736 68.127 68.868 -0.007 0.000 0.864 255 T HN 0.327 nan 8.240 nan 0.000 0.455 256 A N 1.627 124.437 122.820 -0.017 0.000 1.873 256 A HA 0.127 4.389 4.320 -0.097 0.000 0.215 256 A C 2.435 180.009 177.584 -0.017 0.000 1.186 256 A CA 1.359 53.383 52.037 -0.021 0.000 0.616 256 A CB -0.849 18.130 19.000 -0.036 0.000 0.823 256 A HN 0.579 nan 8.150 nan 0.000 0.442 257 I N 0.042 120.598 120.570 -0.023 0.000 2.208 257 I HA -0.264 3.847 4.170 -0.097 0.000 0.245 257 I C 1.870 177.977 176.117 -0.016 0.000 1.097 257 I CA 1.583 62.868 61.300 -0.026 0.000 1.363 257 I CB -0.503 37.477 38.000 -0.034 0.000 1.051 257 I HN 0.281 nan 8.210 nan 0.000 0.413 258 D N 0.371 120.764 120.400 -0.011 0.000 2.117 258 D HA -0.142 4.440 4.640 -0.097 0.000 0.197 258 D C 2.213 178.517 176.300 0.007 0.000 0.987 258 D CA 1.624 55.619 54.000 -0.008 0.000 0.829 258 D CB -0.454 40.341 40.800 -0.008 0.000 0.961 258 D HN 0.278 nan 8.370 nan 0.000 0.460 259 T N 1.291 115.861 114.554 0.026 0.000 2.708 259 T HA -0.053 4.239 4.350 -0.097 0.000 0.266 259 T C 2.220 177.017 174.700 0.162 0.000 1.037 259 T CA 0.545 62.693 62.100 0.079 0.000 1.146 259 T CB -0.259 68.654 68.868 0.076 0.000 0.865 259 T HN 0.119 nan 8.240 nan 0.000 0.435 260 L N 0.373 121.648 121.223 0.088 0.000 2.141 260 L HA -0.058 4.223 4.340 -0.097 0.000 0.209 260 L C 2.582 179.497 176.870 0.075 0.000 1.094 260 L CA 1.257 56.145 54.840 0.081 0.000 0.763 260 L CB -0.445 41.615 42.059 0.002 0.000 0.908 260 L HN 0.231 nan 8.230 nan 0.000 0.437 261 K N -0.060 120.355 120.400 0.026 0.000 2.155 261 K HA -0.100 4.162 4.320 -0.097 0.000 0.203 261 K C 2.266 178.860 176.600 -0.011 0.000 1.052 261 K CA 1.484 57.768 56.287 -0.005 0.000 0.948 261 K CB -0.106 32.377 32.500 -0.029 0.000 0.728 261 K HN 0.332 nan 8.250 nan 0.000 0.448 262 S N 0.298 115.985 115.700 -0.021 0.000 2.507 262 S HA -0.110 4.301 4.470 -0.097 0.000 0.235 262 S C 1.349 175.829 174.600 -0.199 0.000 0.988 262 S CA 0.694 58.828 58.200 -0.109 0.000 0.944 262 S CB -0.272 62.840 63.200 -0.146 0.000 0.762 262 S HN 0.311 nan 8.310 nan 0.000 0.526 263 H N 0.729 119.783 119.070 -0.028 0.000 2.549 263 H HA 0.311 4.809 4.556 -0.097 0.000 0.279 263 H C 1.567 176.881 175.328 -0.024 0.000 1.018 263 H CA 0.361 56.393 56.048 -0.026 0.000 1.175 263 H CB 0.291 30.038 29.762 -0.026 0.000 1.485 263 H HN 0.615 nan 8.280 nan 0.000 0.543 264 G N 1.039 109.868 108.800 0.047 0.000 2.149 264 G HA2 -0.193 3.709 3.960 -0.097 0.000 0.235 264 G HA3 -0.193 3.709 3.960 -0.097 0.000 0.235 264 G C 0.146 175.057 174.900 0.018 0.000 1.018 264 G CA 0.271 45.384 45.100 0.020 0.000 0.728 264 G HN 0.646 nan 8.290 nan 0.000 0.508 265 A N -0.530 122.300 122.820 0.016 0.000 2.355 265 A HA 0.852 5.114 4.320 -0.097 0.000 0.324 265 A C 0.161 177.716 177.584 -0.049 0.000 1.117 265 A CA -0.573 51.459 52.037 -0.010 0.000 0.785 265 A CB 1.232 20.229 19.000 -0.005 0.000 1.254 265 A HN 0.299 nan 8.150 nan 0.000 0.453 266 K N 0.407 120.759 120.400 -0.080 0.000 2.098 266 K HA 0.640 4.902 4.320 -0.097 0.000 0.258 266 K C -1.082 175.443 176.600 -0.125 0.000 0.973 266 K CA -0.548 55.647 56.287 -0.155 0.000 0.898 266 K CB 1.915 34.245 32.500 -0.283 0.000 1.057 266 K HN 0.404 nan 8.250 nan 0.000 0.447 267 V N 2.145 121.982 119.914 -0.128 0.000 2.628 267 V HA 0.396 4.458 4.120 -0.097 0.000 0.306 267 V C -0.713 175.358 176.094 -0.039 0.000 1.045 267 V CA -0.892 61.360 62.300 -0.080 0.000 0.905 267 V CB 2.010 33.794 31.823 -0.066 0.000 0.997 267 V HN 0.428 nan 8.190 nan 0.000 0.436 268 V N 5.124 125.026 119.914 -0.020 0.000 2.483 268 V HA 0.461 4.522 4.120 -0.097 0.000 0.297 268 V C -0.400 175.701 176.094 0.012 0.000 1.027 268 V CA -0.580 61.742 62.300 0.037 0.000 0.855 268 V CB 1.856 33.718 31.823 0.066 0.000 0.995 268 V HN 0.588 nan 8.190 nan 0.000 0.424 269 I N 4.120 124.700 120.570 0.017 0.000 2.441 269 I HA 0.603 4.715 4.170 -0.097 0.000 0.287 269 I C 0.869 177.002 176.117 0.026 0.000 1.049 269 I CA 0.553 61.855 61.300 0.003 0.000 1.381 269 I CB 1.020 39.013 38.000 -0.012 0.000 1.409 269 I HN 0.744 nan 8.210 nan 0.000 0.523 270 G N 3.470 112.286 108.800 0.027 0.000 2.680 270 G HA2 0.769 4.670 3.960 -0.097 0.000 0.290 270 G HA3 0.769 4.670 3.960 -0.097 0.000 0.290 270 G C -0.700 174.247 174.900 0.078 0.000 1.355 270 G CA -0.577 44.554 45.100 0.052 0.000 0.903 270 G HN 0.809 nan 8.290 nan 0.000 0.474 271 G N -1.438 107.422 108.800 0.100 0.000 3.042 271 G HA2 0.643 4.545 3.960 -0.097 0.000 0.278 271 G HA3 0.643 4.545 3.960 -0.097 0.000 0.278 271 G C -1.066 173.900 174.900 0.111 0.000 1.371 271 G CA -0.839 44.348 45.100 0.146 0.000 1.009 271 G HN 0.832 nan 8.290 nan 0.000 0.523 272 M N 0.219 119.882 119.600 0.105 0.000 2.213 272 M HA 0.343 4.765 4.480 -0.097 0.000 0.243 272 M C -1.303 175.013 176.300 0.027 0.000 0.979 272 M CA -0.495 54.761 55.300 -0.072 0.000 1.037 272 M CB 0.716 33.296 32.600 -0.034 0.000 2.200 272 M HN 0.651 nan 8.290 nan 0.000 0.465 273 Y N 0.640 121.049 120.300 0.182 0.000 3.108 273 Y HA -0.277 4.214 4.550 -0.099 0.000 0.208 273 Y C -0.236 175.760 175.900 0.160 0.000 1.245 273 Y CA 0.853 59.008 58.100 0.093 0.000 1.171 273 Y CB -2.448 36.174 38.460 0.269 0.000 1.331 273 Y HN 0.649 nan 8.280 nan 0.000 0.534 274 E N -0.988 119.401 120.200 0.316 0.000 2.349 274 E HA 0.369 4.661 4.350 -0.097 0.000 0.265 274 E C -0.013 176.752 176.600 0.275 0.000 1.064 274 E CA -0.707 55.826 56.400 0.221 0.000 0.886 274 E CB 0.668 30.514 29.700 0.242 0.000 1.036 274 E HN 0.234 nan 8.360 nan 0.000 0.413 275 Y N -0.308 120.215 120.300 0.371 0.000 2.344 275 Y HA 0.234 4.728 4.550 -0.094 0.000 0.330 275 Y C 1.730 177.834 175.900 0.340 0.000 1.330 275 Y CA 0.028 58.345 58.100 0.362 0.000 1.479 275 Y CB 0.381 39.040 38.460 0.331 0.000 1.428 275 Y HN 0.712 nan 8.280 nan 0.000 0.544 276 G N -0.046 109.037 108.800 0.472 0.000 2.470 276 G HA2 -0.207 3.695 3.960 -0.097 0.000 0.220 276 G HA3 -0.207 3.695 3.960 -0.097 0.000 0.220 276 G C 1.377 176.481 174.900 0.340 0.000 1.121 276 G CA 0.843 46.151 45.100 0.347 0.000 0.766 276 G HN 0.480 nan 8.290 nan 0.000 0.553 277 L N 0.728 122.171 121.223 0.367 0.000 2.034 277 L HA 0.151 4.432 4.340 -0.097 0.000 0.203 277 L C 2.887 180.048 176.870 0.486 0.000 1.074 277 L CA 2.414 57.492 54.840 0.395 0.000 0.748 277 L CB -0.937 41.398 42.059 0.459 0.000 0.905 277 L HN 0.171 nan 8.230 nan 0.000 0.439 278 S N -0.664 115.287 115.700 0.420 0.000 2.382 278 S HA -0.246 4.165 4.470 -0.097 0.000 0.228 278 S C 2.317 177.123 174.600 0.344 0.000 1.027 278 S CA 1.390 59.816 58.200 0.377 0.000 0.991 278 S CB -0.434 62.887 63.200 0.201 0.000 0.823 278 S HN 0.476 nan 8.310 nan 0.000 0.469 279 R N -0.956 119.744 120.500 0.332 0.000 2.105 279 R HA -0.167 4.114 4.340 -0.097 0.000 0.239 279 R C 2.186 178.573 176.300 0.144 0.000 1.135 279 R CA 1.884 58.164 56.100 0.299 0.000 0.967 279 R CB -0.601 29.955 30.300 0.427 0.000 0.861 279 R HN 0.659 nan 8.270 nan 0.000 0.442 280 Y N 0.179 120.505 120.300 0.043 0.000 2.128 280 Y HA -0.247 4.265 4.550 -0.063 0.000 0.284 280 Y C 1.617 177.282 175.900 -0.392 0.000 1.154 280 Y CA 1.961 59.894 58.100 -0.278 0.000 1.149 280 Y CB -0.429 37.851 38.460 -0.299 0.000 0.976 280 Y HN -0.002 nan 8.280 nan 0.000 0.505 281 F N -0.481 119.511 119.950 0.069 0.000 2.259 281 F HA -0.137 4.324 4.527 -0.110 0.000 0.298 281 F C 2.465 178.163 175.800 -0.170 0.000 1.088 281 F CA 1.676 59.627 58.000 -0.082 0.000 1.358 281 F CB -1.078 37.929 39.000 0.012 0.000 1.040 281 F HN -0.054 nan 8.300 nan 0.000 0.505 282 T N -0.209 114.367 114.554 0.036 0.000 2.777 282 T HA -0.140 4.152 4.350 -0.097 0.000 0.266 282 T C 2.335 176.956 174.700 -0.130 0.000 1.040 282 T CA 1.289 63.385 62.100 -0.006 0.000 1.141 282 T CB -0.555 68.350 68.868 0.062 0.000 0.868 282 T HN 0.281 nan 8.240 nan 0.000 0.444 283 A N 1.434 124.077 122.820 -0.295 0.000 1.933 283 A HA -0.019 4.243 4.320 -0.097 0.000 0.218 283 A C 2.300 179.693 177.584 -0.319 0.000 1.175 283 A CA 1.610 53.422 52.037 -0.376 0.000 0.628 283 A CB -0.714 17.618 19.000 -1.112 0.000 0.814 283 A HN 0.504 nan 8.150 nan 0.000 0.444 284 M N -0.557 118.769 119.600 -0.457 0.000 2.108 284 M HA -0.121 4.300 4.480 -0.097 0.000 0.261 284 M C 1.657 177.677 176.300 -0.466 0.000 1.066 284 M CA 1.704 56.569 55.300 -0.725 0.000 1.107 284 M CB -0.232 32.005 32.600 -0.604 0.000 1.356 284 M HN 0.407 nan 8.290 nan 0.000 0.406 285 L N -0.276 120.783 121.223 -0.274 0.000 2.395 285 L HA -0.008 4.273 4.340 -0.097 0.000 0.218 285 L C 2.658 179.445 176.870 -0.138 0.000 1.130 285 L CA 0.397 55.131 54.840 -0.177 0.000 0.826 285 L CB -0.848 41.143 42.059 -0.114 0.000 0.941 285 L HN 0.364 nan 8.230 nan 0.000 0.451 286 A N 1.733 124.472 122.820 -0.135 0.000 1.927 286 A HA -0.277 3.985 4.320 -0.097 0.000 0.220 286 A C 2.365 179.914 177.584 -0.058 0.000 1.185 286 A CA 2.230 54.225 52.037 -0.069 0.000 0.639 286 A CB -0.633 18.345 19.000 -0.036 0.000 0.820 286 A HN 0.597 nan 8.150 nan 0.000 0.451 287 R N -0.283 120.157 120.500 -0.101 0.000 2.193 287 R HA -0.086 4.195 4.340 -0.097 0.000 0.229 287 R C 1.630 177.893 176.300 -0.060 0.000 1.110 287 R CA 1.645 57.700 56.100 -0.075 0.000 0.988 287 R CB -0.402 29.829 30.300 -0.114 0.000 0.871 287 R HN 0.461 nan 8.270 nan 0.000 0.458 288 K N 0.941 121.299 120.400 -0.070 0.000 2.288 288 K HA 0.033 4.295 4.320 -0.097 0.000 0.201 288 K C 1.052 177.624 176.600 -0.047 0.000 1.048 288 K CA 0.688 56.941 56.287 -0.056 0.000 0.956 288 K CB 0.057 32.523 32.500 -0.058 0.000 0.746 288 K HN 0.352 nan 8.250 nan 0.000 0.461 289 G N 0.866 109.643 108.800 -0.038 0.000 2.606 289 G HA2 -0.053 3.849 3.960 -0.097 0.000 0.252 289 G HA3 -0.053 3.849 3.960 -0.097 0.000 0.252 289 G C 0.025 174.893 174.900 -0.053 0.000 1.206 289 G CA -0.505 44.574 45.100 -0.036 0.000 0.861 289 G HN 0.032 nan 8.290 nan 0.000 0.561 290 D N -0.904 119.425 120.400 -0.117 0.000 2.183 290 D HA -0.010 4.571 4.640 -0.097 0.000 0.203 290 D C -0.136 176.016 176.300 -0.247 0.000 0.969 290 D CA 1.374 55.230 54.000 -0.239 0.000 0.842 290 D CB 0.218 40.778 40.800 -0.400 0.000 0.957 290 D HN 0.273 nan 8.370 nan 0.000 0.484 291 Y N -0.040 120.276 120.300 0.027 0.000 2.562 291 Y HA 0.312 4.803 4.550 -0.098 0.000 0.343 291 Y C -1.845 174.087 175.900 0.054 0.000 1.025 291 Y CA -3.075 55.062 58.100 0.062 0.000 1.082 291 Y CB 0.748 39.278 38.460 0.117 0.000 1.264 291 Y HN -0.230 nan 8.280 nan 0.000 0.478 292 P HA 0.058 nan 4.420 nan 0.000 0.266 292 P C 0.129 177.511 177.300 0.136 0.000 1.195 292 P CA 0.051 63.240 63.100 0.149 0.000 0.768 292 P CB 0.677 32.452 31.700 0.123 0.000 0.838 293 G N 1.633 110.490 108.800 0.095 0.000 2.594 293 G HA2 0.052 3.954 3.960 -0.097 0.000 0.243 293 G HA3 0.052 3.954 3.960 -0.097 0.000 0.243 293 G C -0.433 174.515 174.900 0.081 0.000 1.229 293 G CA -0.282 44.865 45.100 0.079 0.000 0.843 293 G HN 0.405 nan 8.290 nan 0.000 0.578 294 D N 0.187 120.632 120.400 0.075 0.000 2.563 294 D HA 0.316 4.898 4.640 -0.097 0.000 0.222 294 D C 0.036 176.375 176.300 0.065 0.000 1.145 294 D CA 0.030 54.068 54.000 0.062 0.000 1.001 294 D CB 0.572 41.412 40.800 0.068 0.000 1.049 294 D HN 0.055 nan 8.370 nan 0.000 0.515 295 V N 1.935 121.900 119.914 0.084 0.000 2.394 295 V HA 0.296 4.358 4.120 -0.097 0.000 0.282 295 V C 0.797 176.964 176.094 0.121 0.000 1.031 295 V CA -0.710 61.667 62.300 0.129 0.000 0.881 295 V CB 1.687 33.620 31.823 0.182 0.000 0.982 295 V HN 0.278 nan 8.190 nan 0.000 0.451 296 T N 7.937 122.558 114.554 0.112 0.000 2.869 296 T HA 0.314 4.605 4.350 -0.097 0.000 0.295 296 T C -2.334 172.407 174.700 0.069 0.000 0.987 296 T CA -0.720 61.380 62.100 -0.000 0.000 1.109 296 T CB 1.173 70.068 68.868 0.045 0.000 0.932 296 T HN 0.465 nan 8.240 nan 0.000 0.518 297 P HA 0.327 nan 4.420 nan 0.000 0.274 297 P C -0.724 176.591 177.300 0.025 0.000 1.231 297 P CA -0.546 62.546 63.100 -0.014 0.000 0.790 297 P CB 0.384 32.034 31.700 -0.083 0.000 0.951 298 A N 2.028 124.832 122.820 -0.028 0.000 2.498 298 A HA 0.419 4.681 4.320 -0.097 0.000 0.239 298 A C 1.523 179.126 177.584 0.033 0.000 1.068 298 A CA 0.753 52.799 52.037 0.015 0.000 0.766 298 A CB -1.446 17.511 19.000 -0.071 0.000 1.003 298 A HN 0.872 nan 8.150 nan 0.000 0.497 299 G N 0.419 109.273 108.800 0.090 0.000 2.184 299 G HA2 -0.378 3.524 3.960 -0.097 0.000 0.264 299 G HA3 -0.378 3.524 3.960 -0.097 0.000 0.264 299 G C 0.840 175.753 174.900 0.022 0.000 0.975 299 G CA 1.197 46.335 45.100 0.064 0.000 0.642 299 G HN 1.315 nan 8.290 nan 0.000 0.536 300 Y N 0.154 120.367 120.300 -0.145 0.000 2.181 300 Y HA -0.001 4.489 4.550 -0.099 0.000 0.288 300 Y C 2.487 178.168 175.900 -0.365 0.000 1.146 300 Y CA 2.699 60.622 58.100 -0.295 0.000 1.164 300 Y CB -0.098 38.086 38.460 -0.459 0.000 0.982 300 Y HN 0.364 nan 8.280 nan 0.000 0.515 301 Y N -2.604 117.584 120.300 -0.186 0.000 2.500 301 Y HA 0.228 4.718 4.550 -0.100 0.000 0.284 301 Y C -0.249 175.241 175.900 -0.684 0.000 1.118 301 Y CA -0.328 57.432 58.100 -0.567 0.000 1.241 301 Y CB -0.006 37.781 38.460 -1.121 0.000 1.171 301 Y HN -0.188 nan 8.280 nan 0.000 0.540 302 F N -0.175 119.911 119.950 0.226 0.000 2.520 302 F HA 0.404 4.874 4.527 -0.095 0.000 0.322 302 F C 1.206 177.064 175.800 0.098 0.000 1.103 302 F CA -1.697 56.383 58.000 0.134 0.000 0.926 302 F CB 1.519 40.648 39.000 0.216 0.000 1.154 302 F HN -0.265 nan 8.300 nan 0.000 0.453 303 E N 0.991 121.327 120.200 0.227 0.000 2.072 303 E HA -0.139 4.153 4.350 -0.097 0.000 0.190 303 E C 0.311 176.988 176.600 0.128 0.000 0.982 303 E CA 1.246 57.720 56.400 0.123 0.000 0.803 303 E CB 0.186 29.930 29.700 0.073 0.000 0.755 303 E HN 0.567 nan 8.360 nan 0.000 0.453 304 Q N 0.495 120.395 119.800 0.166 0.000 2.312 304 Q HA 0.343 4.625 4.340 -0.097 0.000 0.263 304 Q C -1.497 174.652 176.000 0.249 0.000 0.995 304 Q CA -0.667 55.222 55.803 0.144 0.000 0.853 304 Q CB 1.627 30.424 28.738 0.098 0.000 1.300 304 Q HN 0.043 nan 8.270 nan 0.000 0.448 305 D N 1.533 122.044 120.400 0.184 0.000 2.477 305 D HA 0.252 4.834 4.640 -0.097 0.000 0.234 305 D C 0.557 176.781 176.300 -0.125 0.000 1.048 305 D CA -0.329 53.784 54.000 0.188 0.000 0.959 305 D CB 2.246 43.171 40.800 0.208 0.000 1.408 305 D HN 0.415 nan 8.370 nan 0.000 0.496 306 V N -0.391 119.241 119.914 -0.469 0.000 2.871 306 V HA 0.178 4.240 4.120 -0.097 0.000 0.256 306 V C 0.662 176.514 176.094 -0.403 0.000 1.082 306 V CA 0.539 62.379 62.300 -0.767 0.000 1.105 306 V CB -0.097 30.969 31.823 -1.261 0.000 0.713 306 V HN 0.257 nan 8.190 nan 0.000 0.473 307 V N 1.484 121.287 119.914 -0.186 0.000 2.409 307 V HA 0.832 4.893 4.120 -0.097 0.000 0.290 307 V C 0.356 176.427 176.094 -0.038 0.000 1.017 307 V CA -0.264 61.980 62.300 -0.093 0.000 0.841 307 V CB 0.858 32.679 31.823 -0.003 0.000 1.003 307 V HN 0.529 nan 8.190 nan 0.000 0.426 308 A N 2.728 125.504 122.820 -0.072 0.000 2.304 308 A HA 0.649 4.911 4.320 -0.097 0.000 0.271 308 A C 0.638 178.168 177.584 -0.088 0.000 1.091 308 A CA -0.018 51.929 52.037 -0.149 0.000 0.812 308 A CB -0.298 18.563 19.000 -0.231 0.000 1.056 308 A HN 1.260 nan 8.150 nan 0.000 0.489 309 H N -0.854 118.191 119.070 -0.042 0.000 2.820 309 H HA -0.137 4.354 4.556 -0.108 0.000 0.295 309 H C 0.330 175.575 175.328 -0.139 0.000 1.187 309 H CA 0.953 56.947 56.048 -0.090 0.000 1.144 309 H CB -1.536 28.175 29.762 -0.085 0.000 1.354 309 H HN 0.504 nan 8.280 nan 0.000 0.395 310 S N 0.448 116.117 115.700 -0.052 0.000 2.592 310 S HA 0.454 4.866 4.470 -0.097 0.000 0.305 310 S C 0.950 175.285 174.600 -0.441 0.000 1.118 310 S CA 0.422 58.576 58.200 -0.077 0.000 1.075 310 S CB 0.063 63.371 63.200 0.180 0.000 1.107 310 S HN 1.098 nan 8.310 nan 0.000 0.503 311 G N 4.674 112.771 108.800 -1.173 0.000 2.392 311 G HA2 -0.153 3.749 3.960 -0.097 0.000 0.215 311 G HA3 -0.153 3.749 3.960 -0.097 0.000 0.215 311 G C -0.210 174.352 174.900 -0.563 0.000 1.097 311 G CA -0.685 43.547 45.100 -1.447 0.000 0.840 311 G HN 0.603 nan 8.290 nan 0.000 0.492 312 I N 0.676 120.998 120.570 -0.413 0.000 2.471 312 I HA 0.217 4.329 4.170 -0.097 0.000 0.286 312 I C 0.968 176.952 176.117 -0.222 0.000 1.079 312 I CA -0.828 60.338 61.300 -0.224 0.000 1.398 312 I CB 1.052 38.982 38.000 -0.116 0.000 1.403 312 I HN 0.274 nan 8.210 nan 0.000 0.530 313 L N 9.211 130.300 121.223 -0.223 0.000 2.418 313 L HA 0.185 4.467 4.340 -0.097 0.000 0.274 313 L C -0.176 176.583 176.870 -0.185 0.000 1.135 313 L CA 0.550 55.232 54.840 -0.264 0.000 0.870 313 L CB -0.280 41.528 42.059 -0.419 0.000 1.154 313 L HN 0.488 nan 8.230 nan 0.000 0.462 314 K N 5.216 125.530 120.400 -0.142 0.000 2.637 314 K HA 0.271 4.533 4.320 -0.097 0.000 0.248 314 K C -0.749 175.811 176.600 -0.067 0.000 0.971 314 K CA -0.633 55.597 56.287 -0.095 0.000 0.858 314 K CB 1.402 33.858 32.500 -0.073 0.000 1.170 314 K HN 0.638 nan 8.250 nan 0.000 0.443 315 E N 1.199 121.360 120.200 -0.065 0.000 2.210 315 E HA -0.292 4.000 4.350 -0.097 0.000 0.201 315 E C 0.578 177.166 176.600 -0.020 0.000 1.339 315 E CA 0.660 57.035 56.400 -0.042 0.000 0.699 315 E CB -1.403 28.282 29.700 -0.025 0.000 1.126 315 E HN 1.165 nan 8.360 nan 0.000 0.355 316 G N 0.087 108.877 108.800 -0.016 0.000 2.184 316 G HA2 -0.369 3.532 3.960 -0.097 0.000 0.264 316 G HA3 -0.369 3.532 3.960 -0.097 0.000 0.264 316 G C 0.209 175.180 174.900 0.119 0.000 0.975 316 G CA 0.676 45.818 45.100 0.070 0.000 0.642 316 G HN 0.373 nan 8.290 nan 0.000 0.536 317 R N -0.945 119.586 120.500 0.052 0.000 2.771 317 R HA 0.667 4.949 4.340 -0.097 0.000 0.274 317 R C -0.428 175.882 176.300 0.016 0.000 0.987 317 R CA -0.997 55.151 56.100 0.081 0.000 0.908 317 R CB 1.476 31.823 30.300 0.078 0.000 1.213 317 R HN 0.122 nan 8.270 nan 0.000 0.468 318 L N 2.476 123.739 121.223 0.067 0.000 2.264 318 L HA 0.334 4.616 4.340 -0.097 0.000 0.289 318 L C 0.028 176.854 176.870 -0.073 0.000 1.044 318 L CA -0.591 54.226 54.840 -0.038 0.000 0.807 318 L CB 1.038 43.151 42.059 0.091 0.000 1.192 318 L HN 0.338 nan 8.230 nan 0.000 0.425 319 E N 3.570 123.620 120.200 -0.250 0.000 2.174 319 E HA 0.420 4.712 4.350 -0.097 0.000 0.282 319 E C -1.087 175.217 176.600 -0.494 0.000 0.992 319 E CA -0.206 56.053 56.400 -0.234 0.000 0.803 319 E CB 1.739 31.345 29.700 -0.156 0.000 1.090 319 E HN 0.216 nan 8.360 nan 0.000 0.396 320 F N 1.971 121.719 119.950 -0.337 0.000 2.508 320 F HA 0.423 4.886 4.527 -0.107 0.000 0.325 320 F C 0.835 176.491 175.800 -0.240 0.000 1.090 320 F CA -0.975 56.813 58.000 -0.353 0.000 0.945 320 F CB 1.596 40.147 39.000 -0.748 0.000 1.156 320 F HN 0.268 nan 8.300 nan 0.000 0.463 321 R N 1.466 122.026 120.500 0.099 0.000 2.854 321 R HA 0.703 4.985 4.340 -0.097 0.000 0.271 321 R C -3.175 173.111 176.300 -0.023 0.000 0.996 321 R CA -2.365 53.765 56.100 0.049 0.000 0.961 321 R CB 0.998 31.294 30.300 -0.008 0.000 1.182 321 R HN 0.200 nan 8.270 nan 0.000 0.479 322 P HA 0.017 nan 4.420 nan 0.000 0.261 322 P C -2.271 174.824 177.300 -0.340 0.000 1.183 322 P CA -0.552 62.345 63.100 -0.339 0.000 0.761 322 P CB 0.185 31.820 31.700 -0.108 0.000 0.785 323 P HA 0.095 nan 4.420 nan 0.000 0.276 323 P C -0.937 176.298 177.300 -0.109 0.000 1.264 323 P CA 0.527 63.478 63.100 -0.248 0.000 0.769 323 P CB 0.596 32.147 31.700 -0.249 0.000 0.840 324 L N 4.460 125.628 121.223 -0.092 0.000 2.318 324 L HA 0.302 4.584 4.340 -0.097 0.000 0.277 324 L C 0.405 177.172 176.870 -0.173 0.000 1.008 324 L CA -1.267 53.515 54.840 -0.097 0.000 0.846 324 L CB 1.890 43.900 42.059 -0.082 0.000 1.220 324 L HN 0.096 nan 8.230 nan 0.000 0.423 325 V N 1.903 121.653 119.914 -0.274 0.000 2.673 325 V HA -0.079 3.982 4.120 -0.097 0.000 0.303 325 V C 0.407 176.215 176.094 -0.477 0.000 1.046 325 V CA 0.262 62.265 62.300 -0.495 0.000 1.126 325 V CB 1.073 32.328 31.823 -0.946 0.000 0.934 325 V HN 0.653 nan 8.190 nan 0.000 0.487 326 D N 4.282 124.409 120.400 -0.454 0.000 2.393 326 D HA 0.143 4.725 4.640 -0.097 0.000 0.232 326 D C 1.014 177.044 176.300 -0.449 0.000 1.192 326 D CA -0.527 53.258 54.000 -0.359 0.000 0.882 326 D CB 0.805 41.436 40.800 -0.281 0.000 1.038 326 D HN 0.467 nan 8.370 nan 0.000 0.499 327 I N 1.796 122.116 120.570 -0.416 0.000 2.423 327 I HA -0.167 3.945 4.170 -0.097 0.000 0.254 327 I C 1.878 177.810 176.117 -0.309 0.000 1.151 327 I CA 1.660 62.703 61.300 -0.428 0.000 1.421 327 I CB -1.141 36.689 38.000 -0.282 0.000 1.079 327 I HN 0.347 nan 8.210 nan 0.000 0.431 328 T N -2.589 111.832 114.554 -0.221 0.000 3.007 328 T HA -0.055 4.237 4.350 -0.097 0.000 0.270 328 T C 1.738 176.359 174.700 -0.132 0.000 1.107 328 T CA 0.831 62.845 62.100 -0.143 0.000 1.118 328 T CB -0.393 68.414 68.868 -0.101 0.000 0.889 328 T HN 0.476 nan 8.240 nan 0.000 0.506 329 Q N 0.276 119.948 119.800 -0.212 0.000 2.331 329 Q HA 0.326 4.608 4.340 -0.097 0.000 0.203 329 Q C 0.832 176.754 176.000 -0.130 0.000 0.944 329 Q CA 0.233 55.943 55.803 -0.155 0.000 0.892 329 Q CB 0.016 28.563 28.738 -0.319 0.000 0.983 329 Q HN 0.562 nan 8.270 nan 0.000 0.482 330 L N 1.634 122.683 121.223 -0.290 0.000 2.399 330 L HA 0.169 4.451 4.340 -0.097 0.000 0.266 330 L C 0.315 177.201 176.870 0.027 0.000 1.114 330 L CA -0.207 54.507 54.840 -0.211 0.000 0.804 330 L CB 0.676 42.423 42.059 -0.519 0.000 1.146 330 L HN -0.065 nan 8.230 nan 0.000 0.451 331 Q N 1.618 121.536 119.800 0.195 0.000 2.375 331 Q HA 0.432 4.713 4.340 -0.097 0.000 0.271 331 Q C -2.458 173.747 176.000 0.342 0.000 1.074 331 Q CA -2.140 53.808 55.803 0.242 0.000 0.808 331 Q CB 2.105 30.961 28.738 0.197 0.000 1.327 331 Q HN 0.252 nan 8.270 nan 0.000 0.441 332 P HA -0.065 nan 4.420 nan 0.000 0.265 332 P C 0.081 177.436 177.300 0.092 0.000 1.193 332 P CA 0.313 63.507 63.100 0.156 0.000 0.765 332 P CB 0.291 32.076 31.700 0.142 0.000 0.823 333 Y N 4.376 124.653 120.300 -0.038 0.000 2.200 333 Y HA -0.136 4.355 4.550 -0.099 0.000 0.290 333 Y C 0.960 176.719 175.900 -0.234 0.000 1.137 333 Y CA 1.536 59.567 58.100 -0.116 0.000 1.163 333 Y CB 0.390 38.849 38.460 -0.002 0.000 0.988 333 Y HN 0.465 nan 8.280 nan 0.000 0.518 334 E N -1.860 118.313 120.200 -0.045 0.000 2.456 334 E HA 0.523 4.815 4.350 -0.097 0.000 0.278 334 E C -0.137 176.533 176.600 0.118 0.000 1.034 334 E CA -0.731 55.648 56.400 -0.034 0.000 0.846 334 E CB 1.384 31.084 29.700 -0.000 0.000 1.460 334 E HN 0.297 nan 8.360 nan 0.000 0.463 335 G N 0.129 108.993 108.800 0.107 0.000 2.685 335 G HA2 -0.241 3.661 3.960 -0.097 0.000 0.387 335 G HA3 -0.241 3.661 3.960 -0.097 0.000 0.387 335 G C 0.055 174.986 174.900 0.053 0.000 1.324 335 G CA 0.184 45.352 45.100 0.113 0.000 0.878 335 G HN 0.725 nan 8.290 nan 0.000 0.527 336 H N -0.134 118.831 119.070 -0.175 0.000 2.460 336 H HA -0.031 4.466 4.556 -0.098 0.000 0.297 336 H C 2.099 177.277 175.328 -0.250 0.000 1.103 336 H CA 2.120 58.008 56.048 -0.267 0.000 1.292 336 H CB 0.004 29.501 29.762 -0.442 0.000 1.376 336 H HN 0.559 nan 8.280 nan 0.000 0.531 337 H N -1.226 117.953 119.070 0.181 0.000 2.539 337 H HA 0.046 4.545 4.556 -0.095 0.000 0.269 337 H C 0.214 175.485 175.328 -0.096 0.000 0.980 337 H CA 0.050 56.070 56.048 -0.046 0.000 1.152 337 H CB -0.346 29.397 29.762 -0.033 0.000 1.407 337 H HN 0.531 nan 8.280 nan 0.000 0.564 338 H N 1.041 120.129 119.070 0.030 0.000 2.705 338 H HA 0.195 4.693 4.556 -0.097 0.000 0.291 338 H C -0.612 174.806 175.328 0.149 0.000 1.085 338 H CA -0.159 55.906 56.048 0.029 0.000 1.357 338 H CB 0.297 30.042 29.762 -0.027 0.000 1.419 338 H HN 0.337 nan 8.280 nan 0.000 0.462 339 H N 3.722 122.777 119.070 -0.025 0.000 2.651 339 H HA 0.288 4.788 4.556 -0.094 0.000 0.353 339 H C -0.468 174.703 175.328 -0.261 0.000 1.178 339 H CA -0.961 54.969 56.048 -0.197 0.000 1.224 339 H CB 1.984 31.709 29.762 -0.062 0.000 1.702 339 H HN 0.793 nan 8.280 nan 0.000 0.550 340 H N -1.002 117.788 119.070 -0.465 0.000 2.895 340 H HA 0.521 5.018 4.556 -0.098 0.000 0.373 340 H C -1.125 173.793 175.328 -0.684 0.000 1.174 340 H CA -0.949 54.846 56.048 -0.421 0.000 1.144 340 H CB 2.121 31.723 29.762 -0.266 0.000 1.793 340 H HN 0.520 nan 8.280 nan 0.000 0.551 341 H N 0.000 119.020 119.070 -0.084 0.000 2.539 341 H HA 0.000 4.497 4.556 -0.098 0.000 0.296 341 H CA 0.000 55.957 56.048 -0.152 0.000 1.023 341 H CB 0.000 29.737 29.762 -0.042 0.000 1.292 341 H HN 0.000 nan 8.280 nan 0.000 0.496