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 3o2k_1_A DATA FIRST_RESID 3 DATA SEQUENCE PAPPDQKPCH QLQPAPYRAL SESILFGSVD EERWWHSTAP ILSRLLISSN DATA SEQUENCE YDVDVQYKYL SLYRHLVLPA LGPYPQRDPE TGIIATQWRS GMVLTGLPIE DATA SEQUENCE FSNNVARALI RIGVDPVTAD SGTAQDPFNT TRPKVYLETA ARLLPGVDLT DATA SEQUENCE RFYEFETELV ITKAEEAVLQ ANPDLFRSPW KSQILTAMDL QKSGTVLVKA DATA SEQUENCE YFYPQPKSAV TGRSTEDLLV NAIRKVDREG RFETQLANLQ RYIERRRRXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XCSFFPHFLS TDLVEPGKSR VKFYASERHV DATA SEQUENCE NLQMVEDIWT FGGLRRDPDA LRGLELLRHF WADIQMREGY YTMPRGFCEL DATA SEQUENCE GKSSXXFEAP MMFHFHLDGS QSPFPDPQMY VCVFGMNSRK LVEGLTTFYR DATA SEQUENCE RVGWEEMASH YQANFLANYP DEDFEKAAHL CAYVSFAYKN GGAYVTLYNH DATA SEQUENCE SFNP 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.326 177.300 0.044 0.000 1.155 3 P CA 0.000 63.119 63.100 0.032 0.000 0.800 3 P CB 0.000 31.725 31.700 0.042 0.000 0.726 4 A N 3.990 126.814 122.820 0.007 0.000 2.425 4 A HA 0.606 5.080 4.320 0.258 0.000 0.242 4 A C -1.829 175.727 177.584 -0.047 0.000 1.077 4 A CA -0.644 51.390 52.037 -0.005 0.000 0.781 4 A CB -0.651 18.333 19.000 -0.027 0.000 1.020 4 A HN 0.528 nan 8.150 nan 0.000 0.494 5 P HA 0.290 nan 4.420 nan 0.000 0.275 5 P C -2.693 174.442 177.300 -0.275 0.000 1.228 5 P CA -1.116 61.905 63.100 -0.132 0.000 0.786 5 P CB 0.010 31.743 31.700 0.055 0.000 0.927 6 P HA 0.155 nan 4.420 nan 0.000 0.275 6 P C -0.474 176.676 177.300 -0.250 0.000 1.228 6 P CA 0.018 62.861 63.100 -0.428 0.000 0.786 6 P CB 0.581 31.891 31.700 -0.650 0.000 0.927 7 D N 1.513 121.802 120.400 -0.185 0.000 2.372 7 D HA 0.252 5.046 4.640 0.258 0.000 0.243 7 D C 0.145 176.398 176.300 -0.079 0.000 1.121 7 D CA 0.761 54.696 54.000 -0.109 0.000 0.898 7 D CB 0.325 41.061 40.800 -0.106 0.000 1.202 7 D HN 0.265 nan 8.370 nan 0.000 0.428 8 Q N 1.492 121.286 119.800 -0.009 0.000 2.567 8 Q HA 0.178 4.673 4.340 0.258 0.000 0.233 8 Q C -1.594 174.430 176.000 0.040 0.000 0.833 8 Q CA -0.729 55.101 55.803 0.046 0.000 0.844 8 Q CB 0.780 29.584 28.738 0.111 0.000 1.423 8 Q HN 0.029 nan 8.270 nan 0.000 0.442 9 K N 3.969 124.333 120.400 -0.060 0.000 2.110 9 K HA 0.594 5.069 4.320 0.258 0.000 0.263 9 K C -2.504 173.938 176.600 -0.263 0.000 0.975 9 K CA -2.152 54.016 56.287 -0.198 0.000 0.895 9 K CB 0.969 33.385 32.500 -0.140 0.000 1.060 9 K HN 0.456 nan 8.250 nan 0.000 0.448 10 P HA 0.129 nan 4.420 nan 0.000 0.275 10 P C -0.498 176.565 177.300 -0.395 0.000 1.227 10 P CA -0.410 62.434 63.100 -0.426 0.000 0.781 10 P CB 0.738 32.124 31.700 -0.523 0.000 0.906 11 C N 4.002 123.054 119.300 -0.414 0.000 2.982 11 C HA 0.363 4.978 4.460 0.258 0.000 0.372 11 C C 0.467 175.357 174.990 -0.167 0.000 1.061 11 C CA -0.193 58.654 59.018 -0.284 0.000 1.309 11 C CB -1.087 26.560 27.740 -0.155 0.000 1.766 11 C HN 0.724 nan 8.230 nan 0.000 0.504 12 H N 1.444 120.471 119.070 -0.072 0.000 2.755 12 H HA 0.199 4.909 4.556 0.257 0.000 0.273 12 H C 0.567 175.856 175.328 -0.065 0.000 1.055 12 H CA -0.294 55.712 56.048 -0.070 0.000 1.191 12 H CB 0.429 30.164 29.762 -0.045 0.000 1.536 12 H HN 0.621 nan 8.280 nan 0.000 0.529 13 Q N 1.388 121.200 119.800 0.020 0.000 2.286 13 Q HA -0.002 4.493 4.340 0.258 0.000 0.290 13 Q C 0.890 176.880 176.000 -0.016 0.000 1.049 13 Q CA -0.122 55.684 55.803 0.004 0.000 0.923 13 Q CB 1.309 30.042 28.738 -0.009 0.000 1.183 13 Q HN 0.491 nan 8.270 nan 0.000 0.383 14 L N 1.666 122.886 121.223 -0.006 0.000 2.083 14 L HA -0.187 4.308 4.340 0.258 0.000 0.209 14 L C 0.612 177.465 176.870 -0.029 0.000 1.083 14 L CA 1.383 56.206 54.840 -0.028 0.000 0.752 14 L CB -0.084 41.971 42.059 -0.006 0.000 0.899 14 L HN 0.631 nan 8.230 nan 0.000 0.433 15 Q N -0.197 119.630 119.800 0.045 0.000 2.771 15 Q HA 0.313 4.808 4.340 0.258 0.000 0.247 15 Q C -2.374 173.721 176.000 0.159 0.000 0.986 15 Q CA -1.939 53.968 55.803 0.173 0.000 0.713 15 Q CB 1.566 30.458 28.738 0.256 0.000 1.241 15 Q HN -0.014 nan 8.270 nan 0.000 0.488 16 P HA -0.056 nan 4.420 nan 0.000 0.267 16 P C 0.366 177.735 177.300 0.115 0.000 1.200 16 P CA 0.248 63.384 63.100 0.060 0.000 0.772 16 P CB 0.892 32.581 31.700 -0.018 0.000 0.855 17 A N 5.522 128.383 122.820 0.068 0.000 1.892 17 A HA -0.155 4.319 4.320 0.258 0.000 0.218 17 A C -0.473 177.184 177.584 0.121 0.000 1.188 17 A CA 1.995 54.085 52.037 0.090 0.000 0.631 17 A CB -2.452 16.596 19.000 0.080 0.000 0.822 17 A HN 0.493 nan 8.150 nan 0.000 0.447 18 P HA -0.156 nan 4.420 nan 0.000 0.217 18 P C 1.511 178.890 177.300 0.132 0.000 1.150 18 P CA 1.239 64.297 63.100 -0.069 0.000 0.832 18 P CB -0.210 31.159 31.700 -0.552 0.000 0.787 19 Y N 1.241 121.553 120.300 0.020 0.000 2.181 19 Y HA -0.181 4.523 4.550 0.258 0.000 0.288 19 Y C 2.209 178.259 175.900 0.250 0.000 1.146 19 Y CA 1.544 59.707 58.100 0.106 0.000 1.164 19 Y CB -0.580 37.846 38.460 -0.055 0.000 0.982 19 Y HN -0.229 nan 8.280 nan 0.000 0.515 20 R N 0.178 120.639 120.500 -0.066 0.000 2.066 20 R HA -0.109 4.385 4.340 0.258 0.000 0.232 20 R C 2.579 178.878 176.300 -0.001 0.000 1.131 20 R CA 1.198 57.228 56.100 -0.117 0.000 0.955 20 R CB -0.856 29.455 30.300 0.018 0.000 0.851 20 R HN 0.460 nan 8.270 nan 0.000 0.432 21 A N 1.428 124.311 122.820 0.105 0.000 1.908 21 A HA -0.150 4.325 4.320 0.258 0.000 0.218 21 A C 2.234 179.888 177.584 0.117 0.000 1.181 21 A CA 1.303 53.418 52.037 0.130 0.000 0.627 21 A CB -0.553 18.582 19.000 0.225 0.000 0.818 21 A HN 0.174 nan 8.150 nan 0.000 0.445 22 L N -0.881 120.460 121.223 0.197 0.000 2.072 22 L HA -0.109 4.385 4.340 0.258 0.000 0.205 22 L C 2.848 179.727 176.870 0.015 0.000 1.079 22 L CA 1.262 56.188 54.840 0.142 0.000 0.752 22 L CB -0.451 41.801 42.059 0.322 0.000 0.906 22 L HN 0.306 nan 8.230 nan 0.000 0.436 23 S N -0.117 115.646 115.700 0.105 0.000 2.383 23 S HA -0.221 4.404 4.470 0.258 0.000 0.229 23 S C 1.687 176.314 174.600 0.046 0.000 1.030 23 S CA 1.421 59.686 58.200 0.107 0.000 1.002 23 S CB -0.247 62.984 63.200 0.052 0.000 0.829 23 S HN 0.458 nan 8.310 nan 0.000 0.467 24 E N 0.679 120.887 120.200 0.013 0.000 2.511 24 E HA -0.003 4.501 4.350 0.258 0.000 0.196 24 E C 1.756 178.340 176.600 -0.028 0.000 1.066 24 E CA 0.807 57.210 56.400 0.006 0.000 0.871 24 E CB 0.091 29.795 29.700 0.007 0.000 0.863 24 E HN 0.595 nan 8.360 nan 0.000 0.520 25 S N -0.558 115.101 115.700 -0.067 0.000 2.559 25 S HA 0.182 4.806 4.470 0.258 0.000 0.226 25 S C 0.577 175.062 174.600 -0.190 0.000 1.030 25 S CA -0.478 57.661 58.200 -0.101 0.000 0.956 25 S CB 0.252 63.403 63.200 -0.081 0.000 0.900 25 S HN -0.022 nan 8.310 nan 0.000 0.510 26 I N 2.668 123.055 120.570 -0.305 0.000 2.395 26 I HA 0.324 4.648 4.170 0.258 0.000 0.289 26 I C -0.573 175.237 176.117 -0.512 0.000 1.023 26 I CA -0.568 60.389 61.300 -0.573 0.000 1.350 26 I CB 1.386 38.731 38.000 -1.091 0.000 1.409 26 I HN 0.167 nan 8.210 nan 0.000 0.507 27 L N 7.098 128.047 121.223 -0.456 0.000 2.262 27 L HA 0.414 4.909 4.340 0.258 0.000 0.288 27 L C -0.717 175.922 176.870 -0.385 0.000 1.035 27 L CA -0.396 54.269 54.840 -0.291 0.000 0.820 27 L CB 0.403 42.368 42.059 -0.156 0.000 1.204 27 L HN 0.396 nan 8.230 nan 0.000 0.424 28 F N 0.818 120.698 119.950 -0.117 0.000 2.396 28 F HA 0.316 5.040 4.527 0.329 0.000 0.343 28 F C 1.389 177.153 175.800 -0.060 0.000 1.104 28 F CA -0.279 57.659 58.000 -0.105 0.000 1.161 28 F CB 1.334 40.281 39.000 -0.088 0.000 1.146 28 F HN 0.481 nan 8.300 nan 0.000 0.522 29 G N 0.551 109.422 108.800 0.118 0.000 3.189 29 G HA2 0.215 4.329 3.960 0.258 0.000 0.225 29 G HA3 0.215 4.329 3.960 0.258 0.000 0.225 29 G C -0.139 174.810 174.900 0.082 0.000 1.159 29 G CA 0.152 45.294 45.100 0.071 0.000 0.763 29 G HN 0.541 nan 8.290 nan 0.000 0.549 30 S N -1.080 114.691 115.700 0.118 0.000 2.543 30 S HA 0.310 4.935 4.470 0.258 0.000 0.271 30 S C 0.937 175.567 174.600 0.050 0.000 1.148 30 S CA -0.522 57.728 58.200 0.082 0.000 0.914 30 S CB 1.694 64.950 63.200 0.093 0.000 1.096 30 S HN -0.095 nan 8.310 nan 0.000 0.471 31 V N 3.613 123.535 119.914 0.012 0.000 2.407 31 V HA -0.089 4.185 4.120 0.258 0.000 0.248 31 V C 2.027 178.067 176.094 -0.088 0.000 1.055 31 V CA 2.115 64.385 62.300 -0.051 0.000 1.049 31 V CB -0.581 31.215 31.823 -0.045 0.000 0.662 31 V HN 0.851 nan 8.190 nan 0.000 0.455 32 D N 0.056 120.462 120.400 0.009 0.000 2.104 32 D HA -0.181 4.614 4.640 0.258 0.000 0.194 32 D C 2.191 178.615 176.300 0.206 0.000 0.994 32 D CA 1.461 55.524 54.000 0.105 0.000 0.830 32 D CB -0.156 40.784 40.800 0.234 0.000 0.959 32 D HN 0.559 nan 8.370 nan 0.000 0.452 33 E N 0.633 120.939 120.200 0.176 0.000 2.058 33 E HA -0.203 4.302 4.350 0.258 0.000 0.194 33 E C 2.060 178.580 176.600 -0.133 0.000 0.997 33 E CA 0.821 57.330 56.400 0.182 0.000 0.801 33 E CB -0.061 29.774 29.700 0.224 0.000 0.746 33 E HN 0.366 nan 8.360 nan 0.000 0.450 34 E N 0.879 120.730 120.200 -0.581 0.000 2.085 34 E HA -0.213 4.292 4.350 0.258 0.000 0.194 34 E C 2.109 178.443 176.600 -0.444 0.000 0.994 34 E CA 1.053 56.738 56.400 -1.191 0.000 0.801 34 E CB 0.125 29.346 29.700 -0.799 0.000 0.743 34 E HN 0.105 nan 8.360 nan 0.000 0.453 35 R N -0.830 119.474 120.500 -0.327 0.000 2.090 35 R HA -0.092 4.402 4.340 0.258 0.000 0.228 35 R C 2.062 178.273 176.300 -0.149 0.000 1.110 35 R CA 1.393 57.209 56.100 -0.473 0.000 0.973 35 R CB -0.275 29.274 30.300 -1.251 0.000 0.869 35 R HN 0.328 nan 8.270 nan 0.000 0.440 36 W N 0.462 121.844 121.300 0.137 0.000 2.354 36 W HA -0.229 4.582 4.660 0.252 0.000 0.315 36 W C 2.291 179.006 176.519 0.326 0.000 1.206 36 W CA 0.522 58.096 57.345 0.380 0.000 1.290 36 W CB -0.439 29.195 29.460 0.291 0.000 1.152 36 W HN 0.248 nan 8.180 nan 0.000 0.489 37 W N 0.506 121.978 121.300 0.286 0.000 2.302 37 W HA -0.312 4.555 4.660 0.343 0.000 0.320 37 W C 1.983 178.620 176.519 0.198 0.000 1.241 37 W CA 2.219 59.701 57.345 0.228 0.000 1.264 37 W CB -0.976 28.493 29.460 0.014 0.000 1.154 37 W HN 0.040 nan 8.180 nan 0.000 0.483 38 H N -0.294 118.944 119.070 0.280 0.000 2.491 38 H HA -0.031 4.687 4.556 0.269 0.000 0.290 38 H C 2.368 177.674 175.328 -0.037 0.000 1.050 38 H CA 1.588 57.720 56.048 0.139 0.000 1.309 38 H CB -0.406 29.456 29.762 0.166 0.000 1.392 38 H HN 0.112 nan 8.280 nan 0.000 0.554 39 S N -0.492 115.285 115.700 0.127 0.000 2.501 39 S HA -0.046 4.579 4.470 0.258 0.000 0.220 39 S C 2.031 176.624 174.600 -0.012 0.000 0.997 39 S CA 1.141 59.317 58.200 -0.040 0.000 0.919 39 S CB 0.283 63.445 63.200 -0.063 0.000 0.778 39 S HN 0.711 nan 8.310 nan 0.000 0.523 40 T N -2.176 112.450 114.554 0.120 0.000 2.980 40 T HA 0.413 4.918 4.350 0.258 0.000 0.252 40 T C 1.827 176.486 174.700 -0.069 0.000 0.962 40 T CA 0.492 62.710 62.100 0.197 0.000 0.932 40 T CB -0.265 68.910 68.868 0.512 0.000 1.188 40 T HN 0.144 nan 8.240 nan 0.000 0.500 41 A N 2.965 125.585 122.820 -0.335 0.000 1.933 41 A HA 0.183 4.658 4.320 0.258 0.000 0.218 41 A C 0.100 177.239 177.584 -0.742 0.000 1.175 41 A CA 1.342 52.939 52.037 -0.733 0.000 0.628 41 A CB -1.588 16.504 19.000 -1.513 0.000 0.814 41 A HN 0.490 nan 8.150 nan 0.000 0.444 42 P HA -0.125 nan 4.420 nan 0.000 0.216 42 P C 1.388 178.389 177.300 -0.498 0.000 1.153 42 P CA 0.888 63.497 63.100 -0.818 0.000 0.848 42 P CB -0.123 31.102 31.700 -0.792 0.000 0.787 43 I N -1.378 118.944 120.570 -0.413 0.000 2.179 43 I HA -0.229 4.095 4.170 0.258 0.000 0.242 43 I C 2.249 178.066 176.117 -0.501 0.000 1.088 43 I CA 1.113 62.202 61.300 -0.352 0.000 1.357 43 I CB -0.694 37.215 38.000 -0.152 0.000 1.051 43 I HN -0.069 nan 8.210 nan 0.000 0.409 44 L N 0.145 120.910 121.223 -0.762 0.000 2.046 44 L HA -0.210 4.284 4.340 0.258 0.000 0.208 44 L C 2.613 179.136 176.870 -0.578 0.000 1.077 44 L CA 1.932 56.174 54.840 -0.996 0.000 0.747 44 L CB -0.703 40.602 42.059 -1.257 0.000 0.896 44 L HN 0.143 nan 8.230 nan 0.000 0.432 45 S N -0.833 114.596 115.700 -0.453 0.000 2.368 45 S HA -0.177 4.448 4.470 0.258 0.000 0.225 45 S C 2.170 176.623 174.600 -0.245 0.000 1.030 45 S CA 1.178 59.196 58.200 -0.303 0.000 0.999 45 S CB -0.192 62.878 63.200 -0.217 0.000 0.844 45 S HN 0.519 nan 8.310 nan 0.000 0.459 46 R N 0.317 120.666 120.500 -0.252 0.000 2.081 46 R HA -0.015 4.479 4.340 0.258 0.000 0.235 46 R C 2.363 178.566 176.300 -0.162 0.000 1.131 46 R CA 1.574 57.560 56.100 -0.190 0.000 0.960 46 R CB -0.596 29.585 30.300 -0.199 0.000 0.856 46 R HN 0.413 nan 8.270 nan 0.000 0.436 47 L N 0.585 121.682 121.223 -0.210 0.000 2.083 47 L HA -0.198 4.296 4.340 0.258 0.000 0.209 47 L C 2.330 179.157 176.870 -0.071 0.000 1.083 47 L CA 1.213 55.968 54.840 -0.141 0.000 0.752 47 L CB -0.342 41.589 42.059 -0.213 0.000 0.899 47 L HN 0.209 nan 8.230 nan 0.000 0.433 48 L N -0.870 120.265 121.223 -0.146 0.000 2.156 48 L HA -0.153 4.342 4.340 0.258 0.000 0.208 48 L C 2.380 179.299 176.870 0.082 0.000 1.095 48 L CA 0.966 55.762 54.840 -0.073 0.000 0.770 48 L CB -0.241 41.649 42.059 -0.282 0.000 0.914 48 L HN 0.213 nan 8.230 nan 0.000 0.439 49 I N -0.419 120.137 120.570 -0.024 0.000 2.233 49 I HA -0.237 4.087 4.170 0.258 0.000 0.243 49 I C 2.750 178.860 176.117 -0.011 0.000 1.093 49 I CA 1.449 62.737 61.300 -0.021 0.000 1.380 49 I CB -0.230 37.728 38.000 -0.069 0.000 1.067 49 I HN 0.300 nan 8.210 nan 0.000 0.413 50 S N -0.357 115.330 115.700 -0.022 0.000 2.402 50 S HA -0.103 4.522 4.470 0.258 0.000 0.229 50 S C 1.897 176.509 174.600 0.019 0.000 1.021 50 S CA 1.194 59.383 58.200 -0.018 0.000 0.974 50 S CB -0.471 62.723 63.200 -0.010 0.000 0.800 50 S HN 0.285 nan 8.310 nan 0.000 0.484 51 S N 2.009 117.752 115.700 0.071 0.000 2.607 51 S HA 0.158 4.782 4.470 0.258 0.000 0.224 51 S C 0.585 175.168 174.600 -0.030 0.000 0.969 51 S CA 0.417 58.651 58.200 0.057 0.000 0.927 51 S CB -0.755 62.564 63.200 0.199 0.000 0.772 51 S HN 0.661 nan 8.310 nan 0.000 0.533 52 N N 0.425 119.135 118.700 0.017 0.000 2.758 52 N HA -0.193 4.702 4.740 0.258 0.000 0.248 52 N C -1.136 174.345 175.510 -0.049 0.000 1.076 52 N CA 0.327 53.361 53.050 -0.027 0.000 0.696 52 N CB -2.058 36.386 38.487 -0.072 0.000 0.979 52 N HN 0.382 nan 8.380 nan 0.000 0.550 53 Y N 0.679 120.967 120.300 -0.021 0.000 2.397 53 Y HA 0.151 4.860 4.550 0.265 0.000 0.335 53 Y C 1.406 177.295 175.900 -0.019 0.000 1.213 53 Y CA -0.040 58.058 58.100 -0.004 0.000 1.391 53 Y CB 0.447 38.921 38.460 0.023 0.000 1.293 53 Y HN 0.130 nan 8.280 nan 0.000 0.557 54 D N 0.923 121.404 120.400 0.134 0.000 2.400 54 D HA -0.025 4.769 4.640 0.258 0.000 0.238 54 D C 1.082 177.427 176.300 0.074 0.000 1.157 54 D CA 0.165 54.209 54.000 0.073 0.000 0.889 54 D CB 1.419 42.247 40.800 0.047 0.000 1.199 54 D HN 0.350 nan 8.370 nan 0.000 0.436 55 V N 1.859 121.815 119.914 0.070 0.000 2.343 55 V HA -0.235 4.039 4.120 0.258 0.000 0.247 55 V C 1.721 177.919 176.094 0.173 0.000 1.051 55 V CA 1.590 63.953 62.300 0.104 0.000 1.036 55 V CB -0.314 31.594 31.823 0.141 0.000 0.654 55 V HN 0.466 nan 8.190 nan 0.000 0.451 56 D N 0.214 120.685 120.400 0.119 0.000 2.123 56 D HA -0.143 4.651 4.640 0.258 0.000 0.196 56 D C 2.138 178.455 176.300 0.028 0.000 0.992 56 D CA 1.396 55.452 54.000 0.094 0.000 0.833 56 D CB -0.306 40.512 40.800 0.030 0.000 0.954 56 D HN 0.351 nan 8.370 nan 0.000 0.455 57 V N 0.786 120.673 119.914 -0.045 0.000 2.548 57 V HA -0.208 4.067 4.120 0.258 0.000 0.249 57 V C 2.458 178.365 176.094 -0.311 0.000 1.055 57 V CA 1.300 63.456 62.300 -0.240 0.000 1.065 57 V CB -0.477 31.267 31.823 -0.132 0.000 0.681 57 V HN 0.173 nan 8.190 nan 0.000 0.462 58 Q N -0.929 118.796 119.800 -0.126 0.000 2.061 58 Q HA -0.240 4.255 4.340 0.258 0.000 0.204 58 Q C 2.202 178.109 176.000 -0.156 0.000 0.984 58 Q CA 2.324 58.025 55.803 -0.171 0.000 0.846 58 Q CB -0.290 28.315 28.738 -0.222 0.000 0.902 58 Q HN 0.687 nan 8.270 nan 0.000 0.421 59 Y N 0.682 120.965 120.300 -0.030 0.000 2.314 59 Y HA -0.163 4.525 4.550 0.229 0.000 0.293 59 Y C 2.329 178.240 175.900 0.019 0.000 1.129 59 Y CA 1.173 59.285 58.100 0.021 0.000 1.201 59 Y CB -0.070 38.399 38.460 0.014 0.000 0.999 59 Y HN 0.025 nan 8.280 nan 0.000 0.541 60 K N -0.650 119.786 120.400 0.060 0.000 2.057 60 K HA -0.219 4.256 4.320 0.258 0.000 0.207 60 K C 1.487 178.151 176.600 0.107 0.000 1.049 60 K CA 1.759 58.043 56.287 -0.006 0.000 0.931 60 K CB -0.349 32.034 32.500 -0.195 0.000 0.714 60 K HN 0.227 nan 8.250 nan 0.000 0.440 61 Y N 0.836 121.175 120.300 0.065 0.000 2.337 61 Y HA -0.002 4.698 4.550 0.250 0.000 0.293 61 Y C 1.970 177.944 175.900 0.123 0.000 1.123 61 Y CA 0.420 58.550 58.100 0.049 0.000 1.201 61 Y CB -0.304 38.105 38.460 -0.086 0.000 1.011 61 Y HN 0.002 nan 8.280 nan 0.000 0.545 62 L N -1.424 119.961 121.223 0.270 0.000 2.109 62 L HA -0.172 4.322 4.340 0.258 0.000 0.207 62 L C 2.634 179.813 176.870 0.515 0.000 1.086 62 L CA 1.533 56.584 54.840 0.352 0.000 0.760 62 L CB -0.575 41.644 42.059 0.265 0.000 0.910 62 L HN 0.123 nan 8.230 nan 0.000 0.437 63 S N 0.138 116.075 115.700 0.395 0.000 2.368 63 S HA -0.170 4.454 4.470 0.258 0.000 0.224 63 S C 1.948 176.819 174.600 0.451 0.000 1.029 63 S CA 1.070 59.501 58.200 0.385 0.000 0.988 63 S CB -0.172 63.203 63.200 0.290 0.000 0.838 63 S HN 0.279 nan 8.310 nan 0.000 0.462 64 L N 0.738 122.179 121.223 0.364 0.000 2.046 64 L HA -0.014 4.481 4.340 0.258 0.000 0.208 64 L C 2.049 179.135 176.870 0.361 0.000 1.077 64 L CA 2.065 57.098 54.840 0.321 0.000 0.747 64 L CB -1.123 41.115 42.059 0.299 0.000 0.896 64 L HN 0.493 nan 8.230 nan 0.000 0.432 65 Y N 0.328 120.803 120.300 0.292 0.000 2.128 65 Y HA -0.297 4.399 4.550 0.243 0.000 0.284 65 Y C 2.905 179.009 175.900 0.340 0.000 1.154 65 Y CA 2.290 60.575 58.100 0.309 0.000 1.149 65 Y CB -0.382 38.273 38.460 0.325 0.000 0.976 65 Y HN 0.182 nan 8.280 nan 0.000 0.505 66 R N -0.412 120.330 120.500 0.404 0.000 2.083 66 R HA -0.207 4.288 4.340 0.258 0.000 0.237 66 R C 1.935 178.190 176.300 -0.075 0.000 1.137 66 R CA 2.513 58.680 56.100 0.112 0.000 0.951 66 R CB -0.823 29.374 30.300 -0.171 0.000 0.851 66 R HN 0.540 nan 8.270 nan 0.000 0.434 67 H N -0.674 118.425 119.070 0.048 0.000 2.372 67 H HA -0.039 4.446 4.556 -0.118 0.000 0.301 67 H C 1.571 176.910 175.328 0.018 0.000 1.065 67 H CA 1.514 57.569 56.048 0.012 0.000 1.364 67 H CB 0.057 29.825 29.762 0.010 0.000 1.406 67 H HN 0.128 nan 8.280 nan 0.000 0.521 68 L N -0.369 120.949 121.223 0.159 0.000 2.221 68 L HA 0.073 4.567 4.340 0.258 0.000 0.202 68 L C 1.743 178.701 176.870 0.146 0.000 1.074 68 L CA 0.843 55.747 54.840 0.106 0.000 0.795 68 L CB -0.055 42.040 42.059 0.061 0.000 0.960 68 L HN 0.066 nan 8.230 nan 0.000 0.458 69 V N -0.540 119.416 119.914 0.069 0.000 2.426 69 V HA -0.125 4.149 4.120 0.258 0.000 0.242 69 V C 2.482 178.447 176.094 -0.215 0.000 1.036 69 V CA 1.290 63.572 62.300 -0.031 0.000 1.044 69 V CB -0.441 31.285 31.823 -0.162 0.000 0.688 69 V HN 0.315 nan 8.190 nan 0.000 0.462 70 L N 0.373 121.431 121.223 -0.274 0.000 2.021 70 L HA -0.172 4.322 4.340 0.258 0.000 0.215 70 L C -0.049 176.760 176.870 -0.101 0.000 1.074 70 L CA 2.050 56.780 54.840 -0.184 0.000 0.760 70 L CB -1.897 40.168 42.059 0.011 0.000 0.889 70 L HN 0.392 nan 8.230 nan 0.000 0.433 71 P HA -0.076 nan 4.420 nan 0.000 0.223 71 P C 1.135 178.403 177.300 -0.054 0.000 1.151 71 P CA 1.268 64.363 63.100 -0.009 0.000 0.787 71 P CB 0.031 31.744 31.700 0.022 0.000 0.788 72 A N -0.724 122.040 122.820 -0.093 0.000 2.167 72 A HA 0.011 4.486 4.320 0.258 0.000 0.214 72 A C 1.911 179.312 177.584 -0.305 0.000 1.151 72 A CA 0.671 52.604 52.037 -0.173 0.000 0.735 72 A CB -1.286 17.589 19.000 -0.207 0.000 0.802 72 A HN 0.138 nan 8.150 nan 0.000 0.467 73 L N -1.232 119.758 121.223 -0.387 0.000 2.418 73 L HA 0.178 4.672 4.340 0.258 0.000 0.218 73 L C 1.701 178.400 176.870 -0.284 0.000 1.125 73 L CA 0.380 54.857 54.840 -0.606 0.000 0.835 73 L CB -1.028 40.211 42.059 -1.366 0.000 0.953 73 L HN 0.584 nan 8.230 nan 0.000 0.454 74 G N 0.473 109.217 108.800 -0.094 0.000 2.569 74 G HA2 -0.262 3.852 3.960 0.258 0.000 0.259 74 G HA3 -0.262 3.852 3.960 0.258 0.000 0.259 74 G C -2.482 172.591 174.900 0.288 0.000 1.263 74 G CA -0.738 44.396 45.100 0.057 0.000 0.928 74 G HN 0.125 nan 8.290 nan 0.000 0.572 75 P HA 0.307 nan 4.420 nan 0.000 0.267 75 P C -0.253 177.266 177.300 0.365 0.000 1.205 75 P CA -0.016 63.236 63.100 0.254 0.000 0.765 75 P CB 0.252 32.027 31.700 0.125 0.000 0.828 76 Y N 6.321 126.648 120.300 0.045 0.000 2.597 76 Y HA 0.132 4.836 4.550 0.257 0.000 0.336 76 Y C -1.912 173.816 175.900 -0.287 0.000 1.216 76 Y CA -1.542 56.295 58.100 -0.438 0.000 1.463 76 Y CB -0.376 37.799 38.460 -0.475 0.000 1.303 76 Y HN 0.404 nan 8.280 nan 0.000 0.576 77 P HA 0.107 nan 4.420 nan 0.000 0.271 77 P C -1.464 175.621 177.300 -0.359 0.000 1.218 77 P CA 0.015 62.765 63.100 -0.583 0.000 0.780 77 P CB 0.555 31.784 31.700 -0.785 0.000 0.901 78 Q N 1.120 120.809 119.800 -0.186 0.000 2.266 78 Q HA 0.483 4.978 4.340 0.258 0.000 0.261 78 Q C -0.219 175.731 176.000 -0.084 0.000 0.985 78 Q CA -0.847 54.905 55.803 -0.085 0.000 0.873 78 Q CB 2.336 31.044 28.738 -0.050 0.000 1.306 78 Q HN 0.306 nan 8.270 nan 0.000 0.447 79 R N 1.593 122.067 120.500 -0.043 0.000 2.393 79 R HA 0.140 4.635 4.340 0.258 0.000 0.310 79 R C -0.952 175.327 176.300 -0.035 0.000 0.968 79 R CA -0.519 55.557 56.100 -0.039 0.000 0.867 79 R CB 0.972 31.263 30.300 -0.015 0.000 1.124 79 R HN 0.596 nan 8.270 nan 0.000 0.450 80 D N 5.176 125.551 120.400 -0.042 0.000 2.371 80 D HA 0.070 4.865 4.640 0.258 0.000 0.256 80 D C -1.667 174.616 176.300 -0.028 0.000 1.193 80 D CA -1.868 52.109 54.000 -0.037 0.000 0.881 80 D CB 1.795 42.569 40.800 -0.043 0.000 1.143 80 D HN 0.347 nan 8.370 nan 0.000 0.473 81 P HA -0.095 nan 4.420 nan 0.000 0.217 81 P C 0.993 178.282 177.300 -0.019 0.000 1.150 81 P CA 1.601 64.689 63.100 -0.019 0.000 0.832 81 P CB 0.341 32.031 31.700 -0.016 0.000 0.787 82 E N -0.408 119.779 120.200 -0.021 0.000 2.024 82 E HA -0.120 4.384 4.350 0.258 0.000 0.190 82 E C 2.004 178.590 176.600 -0.023 0.000 0.974 82 E CA 1.961 58.349 56.400 -0.020 0.000 0.810 82 E CB -2.066 27.622 29.700 -0.019 0.000 0.775 82 E HN 0.399 nan 8.360 nan 0.000 0.453 83 T N -3.919 110.619 114.554 -0.027 0.000 2.985 83 T HA 0.329 4.834 4.350 0.258 0.000 0.266 83 T C 1.980 176.661 174.700 -0.033 0.000 1.076 83 T CA 1.418 63.500 62.100 -0.029 0.000 1.135 83 T CB 0.069 68.917 68.868 -0.033 0.000 0.890 83 T HN 1.602 nan 8.240 nan 0.000 0.480 84 G N 1.440 110.220 108.800 -0.034 0.000 2.143 84 G HA2 -0.209 3.905 3.960 0.258 0.000 0.249 84 G HA3 -0.209 3.905 3.960 0.258 0.000 0.249 84 G C 0.045 174.918 174.900 -0.045 0.000 0.981 84 G CA 0.060 45.139 45.100 -0.035 0.000 0.665 84 G HN 0.680 nan 8.290 nan 0.000 0.528 85 I N 1.417 121.954 120.570 -0.054 0.000 2.452 85 I HA 0.291 4.615 4.170 0.258 0.000 0.287 85 I C 0.833 176.902 176.117 -0.081 0.000 1.079 85 I CA -0.195 61.063 61.300 -0.071 0.000 1.387 85 I CB 0.645 38.601 38.000 -0.074 0.000 1.404 85 I HN 0.019 nan 8.210 nan 0.000 0.522 86 I N 6.816 127.332 120.570 -0.089 0.000 2.315 86 I HA 0.603 4.928 4.170 0.258 0.000 0.291 86 I C 0.259 176.270 176.117 -0.176 0.000 1.006 86 I CA 0.017 61.251 61.300 -0.110 0.000 1.265 86 I CB 1.088 39.057 38.000 -0.051 0.000 1.387 86 I HN 0.682 nan 8.210 nan 0.000 0.475 87 A N 4.033 126.730 122.820 -0.206 0.000 2.612 87 A HA 0.746 5.221 4.320 0.258 0.000 0.293 87 A C -0.348 177.099 177.584 -0.229 0.000 1.075 87 A CA -0.651 51.242 52.037 -0.239 0.000 0.680 87 A CB 1.547 20.416 19.000 -0.217 0.000 1.279 87 A HN 0.622 nan 8.150 nan 0.000 0.411 88 T N -1.390 113.030 114.554 -0.224 0.000 2.902 88 T HA 0.425 4.929 4.350 0.258 0.000 0.280 88 T C 0.999 175.617 174.700 -0.137 0.000 0.992 88 T CA 0.134 62.149 62.100 -0.141 0.000 1.015 88 T CB 1.419 70.254 68.868 -0.056 0.000 1.044 88 T HN 0.765 nan 8.240 nan 0.000 0.520 89 Q N 0.602 120.363 119.800 -0.064 0.000 2.050 89 Q HA -0.074 4.420 4.340 0.258 0.000 0.202 89 Q C 0.224 176.192 176.000 -0.054 0.000 0.980 89 Q CA 0.803 56.573 55.803 -0.055 0.000 0.840 89 Q CB 0.068 28.805 28.738 -0.003 0.000 0.898 89 Q HN 0.792 nan 8.270 nan 0.000 0.424 90 W N 2.412 123.595 121.300 -0.194 0.000 2.345 90 W HA 0.180 4.995 4.660 0.258 0.000 0.308 90 W C -0.894 175.416 176.519 -0.349 0.000 1.273 90 W CA -0.646 56.556 57.345 -0.237 0.000 1.243 90 W CB 0.516 29.864 29.460 -0.186 0.000 1.260 90 W HN 0.068 nan 8.180 nan 0.000 0.509 91 R N 4.925 124.783 120.500 -1.070 0.000 2.235 91 R HA 0.066 4.561 4.340 0.258 0.000 0.338 91 R C 0.270 175.697 176.300 -1.455 0.000 1.087 91 R CA -0.261 55.025 56.100 -1.356 0.000 0.948 91 R CB 0.963 30.162 30.300 -1.834 0.000 1.099 91 R HN 0.379 nan 8.270 nan 0.000 0.483 92 S N 0.903 116.082 115.700 -0.868 0.000 2.549 92 S HA 0.172 4.797 4.470 0.258 0.000 0.279 92 S C 1.374 175.830 174.600 -0.240 0.000 1.321 92 S CA -0.162 57.801 58.200 -0.395 0.000 1.054 92 S CB 0.794 63.954 63.200 -0.067 0.000 0.899 92 S HN 0.720 nan 8.310 nan 0.000 0.497 93 G N 4.049 112.775 108.800 -0.124 0.000 2.956 93 G HA2 -0.007 4.107 3.960 0.258 0.000 0.207 93 G HA3 -0.007 4.107 3.960 0.258 0.000 0.207 93 G C 0.994 175.837 174.900 -0.096 0.000 1.162 93 G CA 0.004 45.130 45.100 0.042 0.000 0.796 93 G HN 0.761 nan 8.290 nan 0.000 0.527 94 M N 0.056 119.575 119.600 -0.135 0.000 2.334 94 M HA 0.199 4.834 4.480 0.258 0.000 0.266 94 M C -0.276 175.984 176.300 -0.067 0.000 1.082 94 M CA 1.026 56.217 55.300 -0.180 0.000 1.141 94 M CB 0.481 32.975 32.600 -0.177 0.000 1.380 94 M HN -0.054 nan 8.290 nan 0.000 0.440 95 V N 0.486 120.408 119.914 0.013 0.000 2.760 95 V HA 0.183 4.457 4.120 0.258 0.000 0.309 95 V C 0.726 176.866 176.094 0.077 0.000 1.077 95 V CA -0.685 61.658 62.300 0.071 0.000 0.910 95 V CB 1.902 33.768 31.823 0.073 0.000 1.008 95 V HN 0.269 nan 8.190 nan 0.000 0.424 96 L N 1.913 123.108 121.223 -0.046 0.000 2.353 96 L HA -0.121 4.374 4.340 0.258 0.000 0.220 96 L C 2.532 179.270 176.870 -0.219 0.000 1.133 96 L CA 1.823 56.493 54.840 -0.283 0.000 0.798 96 L CB -0.373 41.047 42.059 -1.064 0.000 0.922 96 L HN 1.041 nan 8.230 nan 0.000 0.445 97 T N -4.074 110.421 114.554 -0.098 0.000 2.985 97 T HA 0.077 4.582 4.350 0.258 0.000 0.266 97 T C 1.560 176.172 174.700 -0.147 0.000 1.076 97 T CA 0.699 62.766 62.100 -0.055 0.000 1.135 97 T CB 0.121 69.010 68.868 0.034 0.000 0.890 97 T HN 0.438 nan 8.240 nan 0.000 0.480 98 G N 1.074 109.768 108.800 -0.176 0.000 2.144 98 G HA2 -0.159 3.955 3.960 0.258 0.000 0.218 98 G HA3 -0.159 3.955 3.960 0.258 0.000 0.218 98 G C -0.125 174.588 174.900 -0.312 0.000 0.988 98 G CA -0.071 44.749 45.100 -0.468 0.000 0.659 98 G HN 0.623 nan 8.290 nan 0.000 0.522 99 L N 0.870 121.993 121.223 -0.166 0.000 2.350 99 L HA 0.378 4.873 4.340 0.258 0.000 0.275 99 L C -0.692 176.112 176.870 -0.109 0.000 1.099 99 L CA -1.938 52.834 54.840 -0.113 0.000 0.808 99 L CB 1.190 43.203 42.059 -0.077 0.000 1.149 99 L HN -0.079 nan 8.230 nan 0.000 0.442 100 P HA 0.064 nan 4.420 nan 0.000 0.249 100 P C -0.212 176.929 177.300 -0.264 0.000 1.241 100 P CA 0.465 63.456 63.100 -0.182 0.000 0.781 100 P CB 0.339 31.907 31.700 -0.219 0.000 1.088 101 I N -0.512 119.905 120.570 -0.255 0.000 2.582 101 I HA 0.502 4.826 4.170 0.258 0.000 0.292 101 I C -1.311 174.651 176.117 -0.260 0.000 1.066 101 I CA -1.420 59.707 61.300 -0.287 0.000 1.053 101 I CB 2.602 40.397 38.000 -0.343 0.000 1.241 101 I HN -0.274 nan 8.210 nan 0.000 0.421 102 E N 6.108 126.123 120.200 -0.308 0.000 2.311 102 E HA 0.352 4.857 4.350 0.258 0.000 0.281 102 E C -1.953 174.514 176.600 -0.222 0.000 0.905 102 E CA -0.523 55.749 56.400 -0.214 0.000 0.778 102 E CB 1.070 30.782 29.700 0.020 0.000 1.240 102 E HN 0.378 nan 8.360 nan 0.000 0.410 103 F N 2.313 122.322 119.950 0.097 0.000 2.405 103 F HA 0.313 4.992 4.527 0.254 0.000 0.355 103 F C 0.734 176.590 175.800 0.094 0.000 1.121 103 F CA -0.608 57.426 58.000 0.056 0.000 1.112 103 F CB 1.503 40.495 39.000 -0.014 0.000 1.126 103 F HN 0.237 nan 8.300 nan 0.000 0.481 104 S N 2.180 118.017 115.700 0.229 0.000 2.549 104 S HA 0.533 5.158 4.470 0.258 0.000 0.297 104 S C -0.728 173.888 174.600 0.028 0.000 1.115 104 S CA -0.878 57.351 58.200 0.048 0.000 1.059 104 S CB 1.840 64.919 63.200 -0.201 0.000 1.046 104 S HN 0.533 nan 8.310 nan 0.000 0.506 105 N N 1.761 120.458 118.700 -0.005 0.000 2.518 105 N HA 0.180 5.074 4.740 0.258 0.000 0.254 105 N C -1.192 174.268 175.510 -0.084 0.000 0.979 105 N CA -0.315 52.752 53.050 0.029 0.000 0.930 105 N CB 0.922 39.517 38.487 0.180 0.000 1.152 105 N HN 0.908 nan 8.380 nan 0.000 0.505 106 N N 3.497 122.124 118.700 -0.122 0.000 2.549 106 N HA 0.002 4.897 4.740 0.258 0.000 0.267 106 N C 1.313 176.657 175.510 -0.276 0.000 1.182 106 N CA -0.252 52.654 53.050 -0.240 0.000 1.019 106 N CB 0.481 38.825 38.487 -0.238 0.000 1.380 106 N HN 0.371 nan 8.380 nan 0.000 0.505 107 V N 1.267 121.009 119.914 -0.287 0.000 3.510 107 V HA 0.063 4.338 4.120 0.258 0.000 0.270 107 V C 1.848 177.565 176.094 -0.628 0.000 1.201 107 V CA 1.235 63.297 62.300 -0.397 0.000 1.166 107 V CB -0.578 30.967 31.823 -0.463 0.000 0.825 107 V HN 0.557 nan 8.190 nan 0.000 0.484 108 A N 0.635 123.089 122.820 -0.610 0.000 1.930 108 A HA 0.120 4.595 4.320 0.258 0.000 0.215 108 A C 2.245 179.416 177.584 -0.688 0.000 1.176 108 A CA 0.893 52.417 52.037 -0.855 0.000 0.632 108 A CB -0.184 18.560 19.000 -0.427 0.000 0.819 108 A HN 0.448 nan 8.150 nan 0.000 0.445 109 R N -1.798 118.428 120.500 -0.457 0.000 2.437 109 R HA 0.422 4.917 4.340 0.258 0.000 0.257 109 R C 0.615 176.751 176.300 -0.274 0.000 0.927 109 R CA 0.587 56.503 56.100 -0.306 0.000 1.078 109 R CB -0.531 29.668 30.300 -0.168 0.000 1.161 109 R HN 0.846 nan 8.270 nan 0.000 0.529 110 A N 1.447 124.093 122.820 -0.289 0.000 2.739 110 A HA -0.187 4.288 4.320 0.258 0.000 0.296 110 A C -0.210 177.296 177.584 -0.129 0.000 1.488 110 A CA 0.647 52.566 52.037 -0.197 0.000 0.746 110 A CB -2.154 16.723 19.000 -0.205 0.000 1.047 110 A HN 0.213 nan 8.150 nan 0.000 0.477 111 L N 0.195 121.373 121.223 -0.074 0.000 2.346 111 L HA 0.721 5.215 4.340 0.258 0.000 0.274 111 L C 0.097 177.028 176.870 0.102 0.000 1.007 111 L CA -1.144 53.726 54.840 0.050 0.000 0.818 111 L CB 1.657 43.732 42.059 0.026 0.000 1.284 111 L HN 0.326 nan 8.230 nan 0.000 0.424 112 I N 2.130 122.819 120.570 0.197 0.000 2.441 112 I HA 0.489 4.813 4.170 0.258 0.000 0.295 112 I C -0.319 175.826 176.117 0.047 0.000 0.994 112 I CA -0.715 60.636 61.300 0.084 0.000 1.144 112 I CB 1.780 39.775 38.000 -0.008 0.000 1.314 112 I HN 0.574 nan 8.210 nan 0.000 0.445 113 R N 5.472 126.016 120.500 0.075 0.000 2.686 113 R HA 0.655 5.150 4.340 0.258 0.000 0.286 113 R C -0.767 175.636 176.300 0.172 0.000 0.969 113 R CA -0.502 55.660 56.100 0.103 0.000 0.898 113 R CB 2.011 32.398 30.300 0.145 0.000 1.183 113 R HN 0.447 nan 8.270 nan 0.000 0.456 114 I N 2.030 122.702 120.570 0.170 0.000 2.307 114 I HA 0.339 4.664 4.170 0.258 0.000 0.287 114 I C 0.512 176.728 176.117 0.165 0.000 1.054 114 I CA -0.510 60.935 61.300 0.241 0.000 1.218 114 I CB 1.568 39.736 38.000 0.279 0.000 1.398 114 I HN 0.716 nan 8.210 nan 0.000 0.475 115 G N 6.024 114.889 108.800 0.108 0.000 2.355 115 G HA2 0.505 4.619 3.960 0.258 0.000 0.276 115 G HA3 0.505 4.619 3.960 0.258 0.000 0.276 115 G C -0.501 174.365 174.900 -0.056 0.000 1.198 115 G CA -0.136 44.983 45.100 0.033 0.000 0.876 115 G HN 0.361 nan 8.290 nan 0.000 0.478 116 V N 2.698 122.556 119.914 -0.093 0.000 2.709 116 V HA 0.343 4.618 4.120 0.258 0.000 0.308 116 V C -1.052 174.875 176.094 -0.279 0.000 1.062 116 V CA -0.920 61.245 62.300 -0.225 0.000 0.901 116 V CB 2.260 33.889 31.823 -0.323 0.000 1.003 116 V HN 0.728 nan 8.190 nan 0.000 0.425 117 D N 5.193 125.424 120.400 -0.281 0.000 2.472 117 D HA 0.396 5.190 4.640 0.258 0.000 0.234 117 D C -2.731 173.366 176.300 -0.337 0.000 1.088 117 D CA -2.084 51.773 54.000 -0.239 0.000 0.882 117 D CB 1.855 42.603 40.800 -0.086 0.000 1.037 117 D HN 0.213 nan 8.370 nan 0.000 0.520 118 P HA 0.056 nan 4.420 nan 0.000 0.271 118 P C -0.423 176.654 177.300 -0.372 0.000 1.233 118 P CA -0.220 62.611 63.100 -0.449 0.000 0.764 118 P CB 0.945 32.364 31.700 -0.468 0.000 0.825 119 V N 0.800 120.504 119.914 -0.351 0.000 3.160 119 V HA 0.937 5.211 4.120 0.258 0.000 0.310 119 V C -0.145 175.807 176.094 -0.236 0.000 1.181 119 V CA -0.747 61.321 62.300 -0.387 0.000 1.047 119 V CB 1.966 33.507 31.823 -0.471 0.000 1.068 119 V HN 0.573 nan 8.190 nan 0.000 0.441 120 T N -2.346 112.081 114.554 -0.211 0.000 2.742 120 T HA 0.776 5.280 4.350 0.258 0.000 0.282 120 T C 1.109 175.763 174.700 -0.077 0.000 1.025 120 T CA -0.090 61.944 62.100 -0.110 0.000 1.020 120 T CB 1.402 70.216 68.868 -0.090 0.000 1.317 120 T HN 1.693 nan 8.240 nan 0.000 0.538 121 A N 0.199 123.000 122.820 -0.031 0.000 2.024 121 A HA -0.021 4.453 4.320 0.258 0.000 0.220 121 A C 1.701 179.272 177.584 -0.022 0.000 1.164 121 A CA 1.731 53.763 52.037 -0.010 0.000 0.643 121 A CB -1.005 17.998 19.000 0.005 0.000 0.806 121 A HN 0.834 nan 8.150 nan 0.000 0.451 122 D N 0.051 120.425 120.400 -0.042 0.000 2.349 122 D HA 0.065 4.860 4.640 0.258 0.000 0.215 122 D C 0.134 176.394 176.300 -0.067 0.000 1.016 122 D CA 0.261 54.236 54.000 -0.041 0.000 0.870 122 D CB -0.050 40.728 40.800 -0.037 0.000 0.917 122 D HN 0.222 nan 8.370 nan 0.000 0.524 123 S N -0.087 115.535 115.700 -0.130 0.000 2.509 123 S HA 0.359 4.983 4.470 0.258 0.000 0.287 123 S C 1.495 176.104 174.600 0.015 0.000 1.248 123 S CA 0.492 58.542 58.200 -0.249 0.000 1.089 123 S CB 0.890 63.751 63.200 -0.565 0.000 0.900 123 S HN 0.460 nan 8.310 nan 0.000 0.496 124 G N 2.882 111.758 108.800 0.127 0.000 2.279 124 G HA2 -0.288 3.827 3.960 0.258 0.000 0.223 124 G HA3 -0.288 3.827 3.960 0.258 0.000 0.223 124 G C 0.470 175.408 174.900 0.062 0.000 1.015 124 G CA 0.069 45.334 45.100 0.274 0.000 0.621 124 G HN 0.995 nan 8.290 nan 0.000 0.506 125 T N -1.113 113.457 114.554 0.026 0.000 2.689 125 T HA 0.645 5.150 4.350 0.258 0.000 0.308 125 T C 1.897 176.592 174.700 -0.008 0.000 1.021 125 T CA 0.862 62.962 62.100 0.000 0.000 0.973 125 T CB 1.036 69.903 68.868 -0.001 0.000 1.113 125 T HN 1.481 nan 8.240 nan 0.000 0.522 126 A N -0.034 122.783 122.820 -0.004 0.000 2.019 126 A HA 0.114 4.588 4.320 0.258 0.000 0.219 126 A C 2.790 180.382 177.584 0.012 0.000 1.164 126 A CA 2.014 54.053 52.037 0.004 0.000 0.644 126 A CB -1.773 17.232 19.000 0.009 0.000 0.805 126 A HN 1.118 nan 8.150 nan 0.000 0.449 127 Q N -1.082 118.721 119.800 0.006 0.000 2.172 127 Q HA -0.022 4.473 4.340 0.258 0.000 0.200 127 Q C 0.793 176.798 176.000 0.010 0.000 0.964 127 Q CA 1.636 57.444 55.803 0.008 0.000 0.855 127 Q CB -0.231 28.507 28.738 0.000 0.000 0.918 127 Q HN 0.604 nan 8.270 nan 0.000 0.444 128 D N -1.906 118.493 120.400 -0.002 0.000 2.934 128 D HA 0.172 4.966 4.640 0.258 0.000 0.249 128 D C -2.370 173.920 176.300 -0.017 0.000 1.293 128 D CA -1.250 52.747 54.000 -0.007 0.000 0.812 128 D CB 1.392 42.161 40.800 -0.051 0.000 1.439 128 D HN 0.113 nan 8.370 nan 0.000 0.555 129 P HA 0.035 nan 4.420 nan 0.000 0.225 129 P C 0.739 177.881 177.300 -0.264 0.000 1.156 129 P CA 0.447 63.460 63.100 -0.145 0.000 0.787 129 P CB 0.077 31.630 31.700 -0.245 0.000 0.802 130 F N -1.305 118.719 119.950 0.123 0.000 2.683 130 F HA 0.306 4.987 4.527 0.257 0.000 0.306 130 F C 0.613 176.431 175.800 0.030 0.000 1.102 130 F CA -0.562 57.535 58.000 0.161 0.000 1.244 130 F CB -0.765 38.266 39.000 0.052 0.000 1.029 130 F HN -0.169 nan 8.300 nan 0.000 0.545 131 N N 1.012 119.665 118.700 -0.078 0.000 2.714 131 N HA -0.225 4.669 4.740 0.258 0.000 0.253 131 N C 1.014 176.463 175.510 -0.101 0.000 1.024 131 N CA 0.906 53.760 53.050 -0.327 0.000 0.726 131 N CB -0.839 37.091 38.487 -0.928 0.000 0.908 131 N HN 0.457 nan 8.380 nan 0.000 0.542 132 T N -5.351 109.206 114.554 0.006 0.000 2.896 132 T HA -0.037 4.468 4.350 0.258 0.000 0.263 132 T C 1.658 176.395 174.700 0.061 0.000 1.050 132 T CA 1.620 63.758 62.100 0.062 0.000 1.140 132 T CB -0.244 68.674 68.868 0.083 0.000 0.877 132 T HN 0.245 nan 8.240 nan 0.000 0.457 133 T N 1.049 115.620 114.554 0.027 0.000 2.939 133 T HA 0.165 4.669 4.350 0.258 0.000 0.254 133 T C 2.091 176.811 174.700 0.034 0.000 1.041 133 T CA 0.613 62.741 62.100 0.048 0.000 1.142 133 T CB -0.153 68.734 68.868 0.031 0.000 0.874 133 T HN 0.200 nan 8.240 nan 0.000 0.452 134 R N 1.828 122.310 120.500 -0.031 0.000 2.081 134 R HA -0.005 4.490 4.340 0.258 0.000 0.235 134 R C -1.044 175.249 176.300 -0.012 0.000 1.131 134 R CA 1.314 57.387 56.100 -0.045 0.000 0.960 134 R CB -1.420 28.804 30.300 -0.127 0.000 0.856 134 R HN 0.291 nan 8.270 nan 0.000 0.436 135 P HA -0.152 nan 4.420 nan 0.000 0.218 135 P C 0.555 177.894 177.300 0.065 0.000 1.148 135 P CA 1.422 64.529 63.100 0.012 0.000 0.822 135 P CB -0.023 31.685 31.700 0.012 0.000 0.784 136 K N -0.120 120.354 120.400 0.124 0.000 2.025 136 K HA -0.094 4.381 4.320 0.258 0.000 0.207 136 K C 1.814 178.431 176.600 0.027 0.000 1.049 136 K CA 1.244 57.604 56.287 0.121 0.000 0.933 136 K CB -0.577 32.112 32.500 0.314 0.000 0.714 136 K HN -0.129 nan 8.250 nan 0.000 0.438 137 V N 0.841 120.795 119.914 0.067 0.000 2.343 137 V HA -0.269 4.006 4.120 0.258 0.000 0.247 137 V C 2.084 178.199 176.094 0.034 0.000 1.051 137 V CA 1.980 64.309 62.300 0.050 0.000 1.036 137 V CB -0.676 31.178 31.823 0.051 0.000 0.654 137 V HN 0.393 nan 8.190 nan 0.000 0.451 138 Y N 0.470 120.722 120.300 -0.080 0.000 2.128 138 Y HA -0.268 4.434 4.550 0.253 0.000 0.284 138 Y C 2.255 178.082 175.900 -0.122 0.000 1.154 138 Y CA 1.906 59.951 58.100 -0.093 0.000 1.149 138 Y CB -0.162 38.237 38.460 -0.102 0.000 0.976 138 Y HN 0.146 nan 8.280 nan 0.000 0.505 139 L N -0.101 121.024 121.223 -0.163 0.000 2.141 139 L HA -0.168 4.326 4.340 0.258 0.000 0.209 139 L C 2.299 178.993 176.870 -0.294 0.000 1.094 139 L CA 1.410 56.047 54.840 -0.338 0.000 0.763 139 L CB -0.473 41.241 42.059 -0.574 0.000 0.908 139 L HN 0.297 nan 8.230 nan 0.000 0.437 140 E N -0.476 119.605 120.200 -0.199 0.000 2.072 140 E HA -0.159 4.346 4.350 0.258 0.000 0.191 140 E C 2.107 178.654 176.600 -0.088 0.000 0.985 140 E CA 1.653 57.998 56.400 -0.091 0.000 0.801 140 E CB -0.042 29.663 29.700 0.007 0.000 0.750 140 E HN 0.427 nan 8.360 nan 0.000 0.452 141 T N 0.980 115.464 114.554 -0.116 0.000 2.708 141 T HA -0.157 4.347 4.350 0.258 0.000 0.266 141 T C 2.038 176.643 174.700 -0.158 0.000 1.037 141 T CA 1.246 63.277 62.100 -0.115 0.000 1.146 141 T CB -0.264 68.537 68.868 -0.113 0.000 0.865 141 T HN 0.237 nan 8.240 nan 0.000 0.435 142 A N 1.554 124.211 122.820 -0.273 0.000 1.908 142 A HA 0.079 4.554 4.320 0.258 0.000 0.218 142 A C 2.647 180.146 177.584 -0.141 0.000 1.181 142 A CA 1.973 53.858 52.037 -0.253 0.000 0.627 142 A CB -1.165 17.605 19.000 -0.383 0.000 0.818 142 A HN 0.516 nan 8.150 nan 0.000 0.445 143 A N -0.072 122.671 122.820 -0.128 0.000 1.865 143 A HA -0.203 4.272 4.320 0.258 0.000 0.217 143 A C 2.263 179.826 177.584 -0.035 0.000 1.191 143 A CA 1.649 53.645 52.037 -0.068 0.000 0.623 143 A CB -0.513 18.453 19.000 -0.056 0.000 0.826 143 A HN 0.569 nan 8.150 nan 0.000 0.444 144 R N -1.283 119.197 120.500 -0.034 0.000 2.092 144 R HA -0.076 4.418 4.340 0.258 0.000 0.231 144 R C 2.106 178.393 176.300 -0.021 0.000 1.119 144 R CA 1.353 57.443 56.100 -0.017 0.000 0.970 144 R CB -0.516 29.776 30.300 -0.013 0.000 0.864 144 R HN 0.494 nan 8.270 nan 0.000 0.440 145 L N 0.853 122.054 121.223 -0.036 0.000 2.072 145 L HA 0.045 4.540 4.340 0.258 0.000 0.205 145 L C 0.526 177.386 176.870 -0.015 0.000 1.079 145 L CA 1.570 56.391 54.840 -0.031 0.000 0.752 145 L CB -0.056 41.977 42.059 -0.043 0.000 0.906 145 L HN -0.024 nan 8.230 nan 0.000 0.436 146 L N 1.183 122.397 121.223 -0.015 0.000 2.295 146 L HA 0.403 4.897 4.340 0.258 0.000 0.285 146 L C -2.091 174.787 176.870 0.014 0.000 1.035 146 L CA -2.086 52.758 54.840 0.008 0.000 0.806 146 L CB 0.885 42.949 42.059 0.008 0.000 1.214 146 L HN -0.009 nan 8.230 nan 0.000 0.426 147 P HA 0.188 nan 4.420 nan 0.000 0.274 147 P C 0.727 178.049 177.300 0.036 0.000 1.231 147 P CA 0.069 63.186 63.100 0.029 0.000 0.790 147 P CB 0.963 32.682 31.700 0.032 0.000 0.951 148 G N 0.244 109.066 108.800 0.037 0.000 2.189 148 G HA2 -0.222 3.893 3.960 0.258 0.000 0.267 148 G HA3 -0.222 3.893 3.960 0.258 0.000 0.267 148 G C -0.002 174.925 174.900 0.045 0.000 0.975 148 G CA 0.017 45.143 45.100 0.044 0.000 0.644 148 G HN 0.521 nan 8.290 nan 0.000 0.537 149 V N 1.822 121.756 119.914 0.034 0.000 2.356 149 V HA 0.381 4.656 4.120 0.258 0.000 0.258 149 V C 0.084 176.199 176.094 0.035 0.000 1.065 149 V CA -0.425 61.891 62.300 0.027 0.000 0.935 149 V CB 1.411 33.233 31.823 -0.003 0.000 1.061 149 V HN 0.347 nan 8.190 nan 0.000 0.484 150 D N 4.522 124.956 120.400 0.056 0.000 2.329 150 D HA 0.303 5.097 4.640 0.258 0.000 0.232 150 D C 0.581 176.932 176.300 0.085 0.000 1.088 150 D CA -0.318 53.728 54.000 0.077 0.000 0.835 150 D CB 1.850 42.703 40.800 0.089 0.000 1.078 150 D HN 0.407 nan 8.370 nan 0.000 0.495 151 L N 3.002 124.275 121.223 0.083 0.000 2.612 151 L HA 0.021 4.516 4.340 0.258 0.000 0.230 151 L C 2.066 179.023 176.870 0.145 0.000 1.140 151 L CA 0.077 54.934 54.840 0.028 0.000 0.896 151 L CB -0.023 41.940 42.059 -0.160 0.000 1.065 151 L HN 0.366 nan 8.230 nan 0.000 0.447 152 T N -0.550 114.132 114.554 0.212 0.000 2.684 152 T HA -0.227 4.277 4.350 0.258 0.000 0.267 152 T C 2.061 176.879 174.700 0.198 0.000 1.036 152 T CA 1.366 63.609 62.100 0.237 0.000 1.148 152 T CB -0.091 68.871 68.868 0.156 0.000 0.863 152 T HN 0.156 nan 8.240 nan 0.000 0.436 153 R N 0.388 121.005 120.500 0.194 0.000 2.096 153 R HA 0.064 4.559 4.340 0.258 0.000 0.235 153 R C 1.944 178.435 176.300 0.318 0.000 1.127 153 R CA 0.933 57.165 56.100 0.219 0.000 0.968 153 R CB -1.065 29.431 30.300 0.327 0.000 0.861 153 R HN 0.496 nan 8.270 nan 0.000 0.440 154 F N -0.501 119.566 119.950 0.195 0.000 2.102 154 F HA -0.241 4.443 4.527 0.262 0.000 0.298 154 F C 1.453 177.376 175.800 0.206 0.000 1.105 154 F CA 1.483 59.641 58.000 0.264 0.000 1.239 154 F CB -0.403 38.612 39.000 0.025 0.000 0.991 154 F HN 0.005 nan 8.300 nan 0.000 0.474 155 Y N 1.054 121.438 120.300 0.140 0.000 2.242 155 Y HA -0.143 4.561 4.550 0.258 0.000 0.291 155 Y C 2.443 178.256 175.900 -0.144 0.000 1.137 155 Y CA 1.667 59.752 58.100 -0.026 0.000 1.181 155 Y CB -1.016 37.510 38.460 0.110 0.000 0.989 155 Y HN 0.230 nan 8.280 nan 0.000 0.527 156 E N -1.030 119.166 120.200 -0.007 0.000 2.072 156 E HA -0.156 4.348 4.350 0.258 0.000 0.191 156 E C 1.778 178.178 176.600 -0.335 0.000 0.985 156 E CA 1.174 57.460 56.400 -0.190 0.000 0.801 156 E CB -0.340 29.185 29.700 -0.291 0.000 0.750 156 E HN 0.342 nan 8.360 nan 0.000 0.452 157 F N 1.350 121.095 119.950 -0.343 0.000 2.259 157 F HA -0.084 4.597 4.527 0.257 0.000 0.298 157 F C 2.403 177.713 175.800 -0.816 0.000 1.088 157 F CA 0.809 58.398 58.000 -0.686 0.000 1.358 157 F CB -0.096 38.221 39.000 -1.138 0.000 1.040 157 F HN -0.013 nan 8.300 nan 0.000 0.505 158 E N 0.238 120.149 120.200 -0.482 0.000 2.072 158 E HA -0.154 4.350 4.350 0.258 0.000 0.191 158 E C 2.016 178.556 176.600 -0.101 0.000 0.985 158 E CA 1.717 57.974 56.400 -0.239 0.000 0.801 158 E CB -0.225 29.234 29.700 -0.402 0.000 0.750 158 E HN 0.274 nan 8.360 nan 0.000 0.452 159 T N 0.765 115.265 114.554 -0.091 0.000 2.759 159 T HA -0.171 4.334 4.350 0.258 0.000 0.269 159 T C 1.672 176.344 174.700 -0.046 0.000 1.042 159 T CA 1.731 63.803 62.100 -0.046 0.000 1.140 159 T CB -0.107 68.734 68.868 -0.046 0.000 0.864 159 T HN 0.102 nan 8.240 nan 0.000 0.455 160 E N -0.148 120.008 120.200 -0.073 0.000 2.276 160 E HA 0.240 4.745 4.350 0.258 0.000 0.193 160 E C 1.648 178.239 176.600 -0.014 0.000 0.983 160 E CA 0.307 56.683 56.400 -0.040 0.000 0.861 160 E CB 0.158 29.834 29.700 -0.040 0.000 0.817 160 E HN 0.399 nan 8.360 nan 0.000 0.485 161 L N -0.656 120.549 121.223 -0.031 0.000 2.817 161 L HA 0.309 4.803 4.340 0.258 0.000 0.248 161 L C -0.287 176.634 176.870 0.085 0.000 1.133 161 L CA -0.158 54.698 54.840 0.027 0.000 0.935 161 L CB 1.244 43.305 42.059 0.004 0.000 1.266 161 L HN -0.165 nan 8.230 nan 0.000 0.535 162 V N 1.843 121.801 119.914 0.074 0.000 2.581 162 V HA 0.315 4.590 4.120 0.258 0.000 0.303 162 V C 0.334 176.440 176.094 0.019 0.000 1.041 162 V CA -1.010 61.342 62.300 0.086 0.000 0.907 162 V CB 2.188 34.096 31.823 0.142 0.000 0.994 162 V HN 0.115 nan 8.190 nan 0.000 0.442 163 I N 1.701 122.253 120.570 -0.030 0.000 2.754 163 I HA 0.421 4.746 4.170 0.258 0.000 0.285 163 I C 0.815 176.916 176.117 -0.026 0.000 1.166 163 I CA -0.024 61.233 61.300 -0.071 0.000 1.417 163 I CB 0.936 38.822 38.000 -0.188 0.000 1.382 163 I HN 0.788 nan 8.210 nan 0.000 0.588 164 T N 2.290 116.831 114.554 -0.022 0.000 2.770 164 T HA 0.199 4.704 4.350 0.258 0.000 0.281 164 T C 1.185 175.887 174.700 0.003 0.000 0.981 164 T CA -0.553 61.547 62.100 -0.000 0.000 0.955 164 T CB 1.400 70.268 68.868 0.000 0.000 1.060 164 T HN 0.627 nan 8.240 nan 0.000 0.531 165 K N 0.259 120.669 120.400 0.016 0.000 2.063 165 K HA 0.012 4.487 4.320 0.258 0.000 0.208 165 K C 2.795 179.407 176.600 0.019 0.000 1.048 165 K CA 1.337 57.638 56.287 0.024 0.000 0.928 165 K CB -1.482 31.033 32.500 0.026 0.000 0.713 165 K HN 0.756 nan 8.250 nan 0.000 0.442 166 A N 1.307 124.135 122.820 0.012 0.000 1.902 166 A HA -0.204 4.271 4.320 0.258 0.000 0.217 166 A C 2.175 179.761 177.584 0.005 0.000 1.181 166 A CA 1.875 53.918 52.037 0.011 0.000 0.623 166 A CB -0.494 18.511 19.000 0.008 0.000 0.818 166 A HN 0.609 nan 8.150 nan 0.000 0.443 167 E N -0.710 119.483 120.200 -0.012 0.000 2.150 167 E HA -0.191 4.314 4.350 0.258 0.000 0.193 167 E C 1.997 178.568 176.600 -0.050 0.000 0.985 167 E CA 1.062 57.441 56.400 -0.035 0.000 0.814 167 E CB -0.094 29.570 29.700 -0.060 0.000 0.752 167 E HN 0.820 nan 8.360 nan 0.000 0.466 168 E N 0.749 120.931 120.200 -0.030 0.000 2.072 168 E HA -0.182 4.323 4.350 0.258 0.000 0.191 168 E C 2.050 178.695 176.600 0.074 0.000 0.985 168 E CA 0.902 57.310 56.400 0.014 0.000 0.801 168 E CB -0.036 29.702 29.700 0.062 0.000 0.750 168 E HN 0.221 nan 8.360 nan 0.000 0.452 169 A N 0.497 123.350 122.820 0.054 0.000 1.940 169 A HA -0.152 4.323 4.320 0.258 0.000 0.219 169 A C 2.374 179.994 177.584 0.061 0.000 1.176 169 A CA 1.462 53.535 52.037 0.059 0.000 0.631 169 A CB -0.642 18.383 19.000 0.042 0.000 0.814 169 A HN 0.230 nan 8.150 nan 0.000 0.446 170 V N 0.077 120.018 119.914 0.045 0.000 2.343 170 V HA -0.255 4.019 4.120 0.258 0.000 0.247 170 V C 2.525 178.663 176.094 0.074 0.000 1.051 170 V CA 1.966 64.294 62.300 0.047 0.000 1.036 170 V CB -0.745 31.094 31.823 0.027 0.000 0.654 170 V HN 0.579 nan 8.190 nan 0.000 0.451 171 L N -0.729 120.547 121.223 0.088 0.000 2.156 171 L HA -0.184 4.311 4.340 0.258 0.000 0.208 171 L C 2.640 179.642 176.870 0.221 0.000 1.095 171 L CA 1.392 56.336 54.840 0.173 0.000 0.770 171 L CB -0.568 41.601 42.059 0.183 0.000 0.914 171 L HN 0.366 nan 8.230 nan 0.000 0.439 172 Q N -0.095 119.818 119.800 0.188 0.000 2.079 172 Q HA -0.138 4.357 4.340 0.258 0.000 0.200 172 Q C 2.425 178.483 176.000 0.097 0.000 0.974 172 Q CA 1.544 57.431 55.803 0.139 0.000 0.840 172 Q CB -0.210 28.596 28.738 0.114 0.000 0.898 172 Q HN 0.541 nan 8.270 nan 0.000 0.430 173 A N 0.841 123.711 122.820 0.084 0.000 2.066 173 A HA -0.079 4.395 4.320 0.258 0.000 0.218 173 A C 1.016 178.640 177.584 0.066 0.000 1.157 173 A CA 0.789 52.864 52.037 0.064 0.000 0.670 173 A CB 0.138 19.169 19.000 0.053 0.000 0.804 173 A HN 0.171 nan 8.150 nan 0.000 0.453 174 N N -1.010 117.741 118.700 0.084 0.000 2.727 174 N HA 0.286 5.180 4.740 0.258 0.000 0.252 174 N C -2.638 172.942 175.510 0.115 0.000 1.283 174 N CA -1.712 51.389 53.050 0.085 0.000 0.782 174 N CB 1.180 39.712 38.487 0.076 0.000 1.199 174 N HN -0.121 nan 8.380 nan 0.000 0.520 175 P HA -0.069 nan 4.420 nan 0.000 0.219 175 P C 0.782 178.165 177.300 0.138 0.000 1.146 175 P CA 0.905 64.085 63.100 0.133 0.000 0.808 175 P CB 0.474 32.226 31.700 0.087 0.000 0.779 176 D N -1.318 119.143 120.400 0.102 0.000 2.312 176 D HA -0.087 4.707 4.640 0.258 0.000 0.211 176 D C 1.497 177.858 176.300 0.102 0.000 0.964 176 D CA 0.571 54.621 54.000 0.083 0.000 0.877 176 D CB -0.474 40.360 40.800 0.057 0.000 0.924 176 D HN -0.075 nan 8.370 nan 0.000 0.515 177 L N -0.656 120.651 121.223 0.140 0.000 2.362 177 L HA 0.116 4.610 4.340 0.258 0.000 0.219 177 L C 0.267 177.297 176.870 0.266 0.000 1.134 177 L CA 0.811 55.749 54.840 0.163 0.000 0.807 177 L CB -0.443 41.705 42.059 0.150 0.000 0.927 177 L HN 0.031 nan 8.230 nan 0.000 0.447 178 F N -1.447 118.571 119.950 0.113 0.000 3.034 178 F HA 0.214 4.895 4.527 0.257 0.000 0.371 178 F C 0.787 176.669 175.800 0.136 0.000 1.233 178 F CA -0.426 57.660 58.000 0.144 0.000 1.134 178 F CB 0.424 39.561 39.000 0.229 0.000 1.495 178 F HN -0.414 nan 8.300 nan 0.000 0.563 179 R N 1.435 121.832 120.500 -0.171 0.000 2.334 179 R HA 0.227 4.721 4.340 0.258 0.000 0.216 179 R C 0.851 177.041 176.300 -0.184 0.000 0.905 179 R CA 0.396 56.433 56.100 -0.105 0.000 1.064 179 R CB 0.310 30.571 30.300 -0.066 0.000 1.046 179 R HN 0.525 nan 8.270 nan 0.000 0.508 180 S N 1.632 117.057 115.700 -0.458 0.000 2.549 180 S HA 0.170 4.794 4.470 0.258 0.000 0.279 180 S C -1.583 173.014 174.600 -0.004 0.000 1.321 180 S CA -1.459 56.586 58.200 -0.258 0.000 1.054 180 S CB 1.145 64.077 63.200 -0.446 0.000 0.899 180 S HN 0.072 nan 8.310 nan 0.000 0.497 181 P HA 0.013 nan 4.420 nan 0.000 0.223 181 P C -0.140 177.133 177.300 -0.044 0.000 1.151 181 P CA 0.571 63.641 63.100 -0.050 0.000 0.787 181 P CB 0.088 31.646 31.700 -0.237 0.000 0.788 182 W N 0.794 122.106 121.300 0.020 0.000 2.510 182 W HA 0.069 4.883 4.660 0.257 0.000 0.388 182 W C 0.576 177.195 176.519 0.166 0.000 1.092 182 W CA -0.110 57.258 57.345 0.037 0.000 1.562 182 W CB 0.376 29.806 29.460 -0.051 0.000 1.603 182 W HN -0.071 nan 8.180 nan 0.000 0.396 183 K N 0.674 121.178 120.400 0.173 0.000 2.358 183 K HA 0.063 4.537 4.320 0.258 0.000 0.200 183 K C 0.717 177.568 176.600 0.417 0.000 1.030 183 K CA -0.096 56.391 56.287 0.334 0.000 1.097 183 K CB 0.748 33.315 32.500 0.111 0.000 0.862 183 K HN 0.171 nan 8.250 nan 0.000 0.534 184 S N 2.515 118.383 115.700 0.281 0.000 2.498 184 S HA 0.079 4.703 4.470 0.258 0.000 0.281 184 S C 0.969 175.686 174.600 0.195 0.000 1.265 184 S CA -0.066 58.331 58.200 0.329 0.000 1.071 184 S CB 0.742 64.003 63.200 0.101 0.000 0.894 184 S HN 0.386 nan 8.310 nan 0.000 0.491 185 Q N 2.083 122.026 119.800 0.238 0.000 2.287 185 Q HA 0.264 4.758 4.340 0.258 0.000 0.201 185 Q C -0.122 176.016 176.000 0.230 0.000 0.946 185 Q CA 0.727 56.678 55.803 0.246 0.000 0.868 185 Q CB 0.257 29.120 28.738 0.209 0.000 0.967 185 Q HN 0.622 nan 8.270 nan 0.000 0.516 186 I N 1.764 122.409 120.570 0.126 0.000 2.389 186 I HA 0.308 4.633 4.170 0.258 0.000 0.288 186 I C -0.807 175.311 176.117 0.002 0.000 0.999 186 I CA -0.451 60.858 61.300 0.015 0.000 1.129 186 I CB 1.410 39.428 38.000 0.030 0.000 1.288 186 I HN 0.024 nan 8.210 nan 0.000 0.444 187 L N 4.986 126.217 121.223 0.013 0.000 2.313 187 L HA 0.727 5.222 4.340 0.258 0.000 0.268 187 L C 0.127 177.046 176.870 0.082 0.000 1.010 187 L CA -0.628 54.193 54.840 -0.031 0.000 0.814 187 L CB 2.322 44.283 42.059 -0.162 0.000 1.304 187 L HN 0.605 nan 8.230 nan 0.000 0.441 188 T N -1.424 113.156 114.554 0.043 0.000 2.906 188 T HA 0.880 5.385 4.350 0.258 0.000 0.295 188 T C -0.919 173.896 174.700 0.191 0.000 1.075 188 T CA -0.769 61.432 62.100 0.169 0.000 1.005 188 T CB 2.289 71.257 68.868 0.166 0.000 1.136 188 T HN 0.826 nan 8.240 nan 0.000 0.498 189 A N 2.356 125.350 122.820 0.290 0.000 2.520 189 A HA 0.748 5.223 4.320 0.258 0.000 0.298 189 A C -0.864 176.846 177.584 0.210 0.000 1.051 189 A CA -0.968 51.226 52.037 0.262 0.000 0.690 189 A CB 1.592 20.819 19.000 0.379 0.000 1.281 189 A HN 0.885 nan 8.150 nan 0.000 0.402 190 M N 2.337 122.038 119.600 0.169 0.000 2.125 190 M HA 0.277 4.911 4.480 0.258 0.000 0.321 190 M C -1.372 174.971 176.300 0.072 0.000 0.983 190 M CA -0.666 54.699 55.300 0.109 0.000 0.934 190 M CB 1.546 34.198 32.600 0.087 0.000 1.542 190 M HN 0.629 nan 8.290 nan 0.000 0.424 191 D N 4.339 124.784 120.400 0.074 0.000 2.317 191 D HA 0.284 5.078 4.640 0.258 0.000 0.252 191 D C -0.416 175.881 176.300 -0.006 0.000 1.174 191 D CA 0.139 54.177 54.000 0.064 0.000 0.866 191 D CB 0.922 41.783 40.800 0.103 0.000 1.127 191 D HN 0.479 nan 8.370 nan 0.000 0.467 192 L N 3.667 124.850 121.223 -0.067 0.000 2.282 192 L HA 0.171 4.666 4.340 0.258 0.000 0.287 192 L C 0.722 177.711 176.870 0.198 0.000 1.075 192 L CA -0.758 53.956 54.840 -0.210 0.000 0.839 192 L CB 0.237 41.928 42.059 -0.614 0.000 1.219 192 L HN 0.097 nan 8.230 nan 0.000 0.434 193 Q N 2.371 122.324 119.800 0.254 0.000 2.368 193 Q HA 0.140 4.634 4.340 0.258 0.000 0.237 193 Q C 0.811 177.045 176.000 0.391 0.000 0.987 193 Q CA -0.293 55.668 55.803 0.263 0.000 0.896 193 Q CB 1.361 30.209 28.738 0.183 0.000 1.241 193 Q HN 0.378 nan 8.270 nan 0.000 0.485 194 K N 0.671 121.169 120.400 0.163 0.000 2.211 194 K HA -0.081 4.394 4.320 0.258 0.000 0.203 194 K C 1.863 178.537 176.600 0.124 0.000 1.050 194 K CA 1.264 57.589 56.287 0.064 0.000 0.945 194 K CB -0.081 32.343 32.500 -0.127 0.000 0.732 194 K HN 0.697 nan 8.250 nan 0.000 0.451 195 S N -0.797 114.973 115.700 0.117 0.000 2.423 195 S HA -0.015 4.609 4.470 0.258 0.000 0.231 195 S C 1.615 176.270 174.600 0.091 0.000 1.014 195 S CA 1.220 59.472 58.200 0.086 0.000 0.965 195 S CB 0.030 63.275 63.200 0.075 0.000 0.785 195 S HN 0.409 nan 8.310 nan 0.000 0.495 196 G N -0.074 108.824 108.800 0.163 0.000 2.284 196 G HA2 -0.161 3.954 3.960 0.258 0.000 0.201 196 G HA3 -0.161 3.954 3.960 0.258 0.000 0.201 196 G C 0.165 175.207 174.900 0.236 0.000 0.998 196 G CA -0.080 45.084 45.100 0.108 0.000 0.651 196 G HN 0.578 nan 8.290 nan 0.000 0.489 197 T N 1.688 116.367 114.554 0.209 0.000 2.870 197 T HA 0.488 4.992 4.350 0.258 0.000 0.300 197 T C 0.337 175.163 174.700 0.211 0.000 0.989 197 T CA 0.118 62.325 62.100 0.178 0.000 1.139 197 T CB 2.234 71.175 68.868 0.121 0.000 0.920 197 T HN 0.428 nan 8.240 nan 0.000 0.537 198 V N 5.143 125.158 119.914 0.168 0.000 2.394 198 V HA 0.335 4.609 4.120 0.258 0.000 0.282 198 V C -0.150 175.992 176.094 0.080 0.000 1.031 198 V CA -0.902 61.462 62.300 0.107 0.000 0.881 198 V CB 1.517 33.395 31.823 0.092 0.000 0.982 198 V HN 0.615 nan 8.190 nan 0.000 0.451 199 L N 6.176 127.442 121.223 0.072 0.000 2.280 199 L HA 0.540 5.035 4.340 0.258 0.000 0.287 199 L C -0.281 176.634 176.870 0.075 0.000 1.023 199 L CA -0.009 54.876 54.840 0.076 0.000 0.819 199 L CB 1.746 43.857 42.059 0.087 0.000 1.212 199 L HN 0.415 nan 8.230 nan 0.000 0.420 200 V N 5.517 125.470 119.914 0.065 0.000 2.472 200 V HA 0.494 4.769 4.120 0.258 0.000 0.290 200 V C 0.075 176.213 176.094 0.074 0.000 1.037 200 V CA -0.834 61.505 62.300 0.065 0.000 0.908 200 V CB 1.945 33.781 31.823 0.022 0.000 0.985 200 V HN 0.652 nan 8.190 nan 0.000 0.454 201 K N 2.731 123.188 120.400 0.095 0.000 2.426 201 K HA 0.854 5.329 4.320 0.258 0.000 0.251 201 K C -0.836 175.799 176.600 0.060 0.000 0.941 201 K CA -0.640 55.676 56.287 0.049 0.000 0.808 201 K CB 2.736 35.241 32.500 0.008 0.000 1.265 201 K HN 0.751 nan 8.250 nan 0.000 0.432 202 A N 2.261 125.073 122.820 -0.013 0.000 2.350 202 A HA 0.703 5.177 4.320 0.258 0.000 0.324 202 A C -1.558 175.893 177.584 -0.221 0.000 1.118 202 A CA -0.595 51.435 52.037 -0.011 0.000 0.783 202 A CB 0.529 19.602 19.000 0.121 0.000 1.236 202 A HN 0.666 nan 8.150 nan 0.000 0.457 203 Y N 0.003 120.166 120.300 -0.228 0.000 2.409 203 Y HA 0.616 5.320 4.550 0.256 0.000 0.343 203 Y C -0.922 174.770 175.900 -0.346 0.000 0.973 203 Y CA -0.459 57.539 58.100 -0.170 0.000 1.064 203 Y CB 2.139 40.546 38.460 -0.088 0.000 1.207 203 Y HN 0.559 nan 8.280 nan 0.000 0.452 204 F N 2.399 122.410 119.950 0.101 0.000 2.460 204 F HA 0.398 5.081 4.527 0.259 0.000 0.341 204 F C -1.103 174.712 175.800 0.024 0.000 1.130 204 F CA -1.117 56.940 58.000 0.096 0.000 0.962 204 F CB 0.862 39.863 39.000 0.002 0.000 1.171 204 F HN 0.388 nan 8.300 nan 0.000 0.436 205 Y N 4.332 124.763 120.300 0.218 0.000 2.491 205 Y HA 0.297 5.001 4.550 0.257 0.000 0.334 205 Y C -1.828 174.190 175.900 0.197 0.000 0.969 205 Y CA -2.098 56.121 58.100 0.199 0.000 1.241 205 Y CB 1.027 39.548 38.460 0.102 0.000 1.105 205 Y HN 0.331 nan 8.280 nan 0.000 0.503 206 P HA 0.070 nan 4.420 nan 0.000 0.249 206 P C 0.185 177.579 177.300 0.157 0.000 1.583 206 P CA 0.102 63.312 63.100 0.182 0.000 0.988 206 P CB 0.720 32.501 31.700 0.134 0.000 1.530 207 Q N 0.686 120.622 119.800 0.228 0.000 2.119 207 Q HA -0.047 4.447 4.340 0.258 0.000 0.201 207 Q C -0.597 175.545 176.000 0.238 0.000 0.972 207 Q CA 2.237 58.209 55.803 0.282 0.000 0.847 207 Q CB -1.830 27.156 28.738 0.412 0.000 0.903 207 Q HN 0.360 nan 8.270 nan 0.000 0.433 208 P HA -0.132 nan 4.420 nan 0.000 0.216 208 P C 0.786 177.920 177.300 -0.276 0.000 1.153 208 P CA 1.210 63.965 63.100 -0.577 0.000 0.844 208 P CB 0.108 31.299 31.700 -0.847 0.000 0.787 209 K N -0.187 120.134 120.400 -0.133 0.000 2.097 209 K HA -0.104 4.371 4.320 0.258 0.000 0.206 209 K C 2.330 178.926 176.600 -0.007 0.000 1.049 209 K CA 1.627 57.875 56.287 -0.064 0.000 0.933 209 K CB -1.083 31.411 32.500 -0.010 0.000 0.717 209 K HN -0.094 nan 8.250 nan 0.000 0.442 210 S N -0.520 115.205 115.700 0.041 0.000 2.368 210 S HA -0.128 4.497 4.470 0.258 0.000 0.225 210 S C 1.946 176.594 174.600 0.080 0.000 1.030 210 S CA 1.329 59.573 58.200 0.074 0.000 0.999 210 S CB -0.453 62.811 63.200 0.107 0.000 0.844 210 S HN 0.438 nan 8.310 nan 0.000 0.459 211 A N 1.117 124.000 122.820 0.106 0.000 1.877 211 A HA -0.008 4.467 4.320 0.258 0.000 0.216 211 A C 2.446 180.072 177.584 0.069 0.000 1.186 211 A CA 1.974 54.093 52.037 0.137 0.000 0.620 211 A CB -1.127 18.042 19.000 0.282 0.000 0.822 211 A HN 0.885 nan 8.150 nan 0.000 0.443 212 V N -1.962 117.959 119.914 0.011 0.000 2.346 212 V HA -0.120 4.154 4.120 0.258 0.000 0.244 212 V C 2.427 178.527 176.094 0.011 0.000 1.037 212 V CA 2.358 64.656 62.300 -0.002 0.000 1.029 212 V CB -1.902 29.891 31.823 -0.051 0.000 0.663 212 V HN 0.637 nan 8.190 nan 0.000 0.454 213 T N -2.194 112.366 114.554 0.010 0.000 3.055 213 T HA 0.270 4.775 4.350 0.258 0.000 0.265 213 T C 1.726 176.443 174.700 0.028 0.000 1.111 213 T CA 0.970 63.080 62.100 0.016 0.000 1.118 213 T CB -0.270 68.607 68.868 0.015 0.000 0.909 213 T HN 1.779 nan 8.240 nan 0.000 0.501 214 G N 1.659 110.482 108.800 0.038 0.000 2.176 214 G HA2 -0.234 3.881 3.960 0.258 0.000 0.252 214 G HA3 -0.234 3.881 3.960 0.258 0.000 0.252 214 G C -0.065 174.863 174.900 0.047 0.000 1.024 214 G CA -0.166 44.961 45.100 0.044 0.000 0.755 214 G HN 0.690 nan 8.290 nan 0.000 0.507 215 R N 0.267 120.798 120.500 0.051 0.000 2.562 215 R HA 0.586 5.080 4.340 0.258 0.000 0.298 215 R C 0.830 177.172 176.300 0.070 0.000 0.961 215 R CA -0.005 56.129 56.100 0.057 0.000 0.881 215 R CB 1.590 31.921 30.300 0.052 0.000 1.159 215 R HN 0.489 nan 8.270 nan 0.000 0.450 216 S N 0.798 116.545 115.700 0.078 0.000 2.589 216 S HA -0.006 4.618 4.470 0.258 0.000 0.265 216 S C 1.086 175.747 174.600 0.103 0.000 1.342 216 S CA -0.303 57.953 58.200 0.093 0.000 1.005 216 S CB 1.136 64.396 63.200 0.100 0.000 0.909 216 S HN 0.556 nan 8.310 nan 0.000 0.555 217 T N 0.835 115.456 114.554 0.112 0.000 2.746 217 T HA -0.123 4.381 4.350 0.258 0.000 0.267 217 T C 1.680 176.462 174.700 0.136 0.000 1.039 217 T CA 1.707 63.875 62.100 0.113 0.000 1.142 217 T CB -0.564 68.365 68.868 0.101 0.000 0.866 217 T HN 0.839 nan 8.240 nan 0.000 0.444 218 E N 0.732 121.034 120.200 0.170 0.000 2.038 218 E HA -0.219 4.285 4.350 0.258 0.000 0.195 218 E C 1.695 178.416 176.600 0.202 0.000 1.000 218 E CA 1.554 58.094 56.400 0.233 0.000 0.803 218 E CB -0.038 29.782 29.700 0.201 0.000 0.750 218 E HN 0.348 nan 8.360 nan 0.000 0.448 219 D N 0.345 120.831 120.400 0.142 0.000 2.144 219 D HA -0.134 4.661 4.640 0.258 0.000 0.200 219 D C 2.124 178.494 176.300 0.116 0.000 0.978 219 D CA 0.683 54.753 54.000 0.116 0.000 0.833 219 D CB -0.200 40.652 40.800 0.087 0.000 0.961 219 D HN 0.255 nan 8.370 nan 0.000 0.470 220 L N 0.124 121.413 121.223 0.111 0.000 2.017 220 L HA -0.141 4.354 4.340 0.258 0.000 0.208 220 L C 2.506 179.448 176.870 0.121 0.000 1.073 220 L CA 0.758 55.658 54.840 0.099 0.000 0.745 220 L CB -0.294 41.817 42.059 0.086 0.000 0.894 220 L HN 0.044 nan 8.230 nan 0.000 0.432 221 L N -1.362 119.946 121.223 0.141 0.000 2.005 221 L HA -0.185 4.310 4.340 0.258 0.000 0.207 221 L C 2.502 179.532 176.870 0.267 0.000 1.072 221 L CA 0.875 55.811 54.840 0.160 0.000 0.744 221 L CB -0.605 41.501 42.059 0.078 0.000 0.895 221 L HN 0.030 nan 8.230 nan 0.000 0.433 222 V N 0.254 120.346 119.914 0.297 0.000 2.261 222 V HA -0.271 4.004 4.120 0.258 0.000 0.246 222 V C 2.244 178.443 176.094 0.175 0.000 1.047 222 V CA 1.935 64.380 62.300 0.241 0.000 1.015 222 V CB -0.720 31.204 31.823 0.168 0.000 0.642 222 V HN 0.474 nan 8.190 nan 0.000 0.446 223 N N 0.542 119.325 118.700 0.138 0.000 2.149 223 N HA -0.135 4.760 4.740 0.258 0.000 0.188 223 N C 1.817 177.390 175.510 0.106 0.000 1.019 223 N CA 1.647 54.758 53.050 0.101 0.000 0.857 223 N CB -0.575 37.957 38.487 0.075 0.000 0.997 223 N HN 0.514 nan 8.380 nan 0.000 0.426 224 A N 1.136 124.045 122.820 0.149 0.000 1.858 224 A HA -0.056 4.418 4.320 0.258 0.000 0.216 224 A C 2.329 180.058 177.584 0.241 0.000 1.190 224 A CA 0.981 53.127 52.037 0.181 0.000 0.617 224 A CB -0.715 18.461 19.000 0.294 0.000 0.827 224 A HN 0.209 nan 8.150 nan 0.000 0.443 225 I N -1.195 119.599 120.570 0.372 0.000 2.226 225 I HA -0.246 4.078 4.170 0.258 0.000 0.245 225 I C 2.744 179.016 176.117 0.258 0.000 1.100 225 I CA 1.740 63.282 61.300 0.403 0.000 1.374 225 I CB -0.275 37.933 38.000 0.346 0.000 1.057 225 I HN 0.330 nan 8.210 nan 0.000 0.413 226 R N 0.822 121.429 120.500 0.178 0.000 2.092 226 R HA -0.171 4.324 4.340 0.258 0.000 0.231 226 R C 2.570 178.905 176.300 0.059 0.000 1.119 226 R CA 1.510 57.679 56.100 0.115 0.000 0.970 226 R CB -0.079 30.273 30.300 0.086 0.000 0.864 226 R HN 0.025 nan 8.270 nan 0.000 0.440 227 K N -0.509 119.911 120.400 0.034 0.000 2.103 227 K HA 0.004 4.479 4.320 0.258 0.000 0.204 227 K C 1.808 178.374 176.600 -0.058 0.000 1.052 227 K CA 1.360 57.637 56.287 -0.016 0.000 0.945 227 K CB -0.312 32.170 32.500 -0.030 0.000 0.722 227 K HN 0.202 nan 8.250 nan 0.000 0.443 228 V N 1.173 121.029 119.914 -0.097 0.000 2.453 228 V HA -0.018 4.256 4.120 0.258 0.000 0.247 228 V C 1.324 177.391 176.094 -0.045 0.000 1.048 228 V CA 1.536 63.736 62.300 -0.166 0.000 1.049 228 V CB -0.548 31.004 31.823 -0.452 0.000 0.672 228 V HN 0.523 nan 8.190 nan 0.000 0.457 229 D N 0.553 120.976 120.400 0.038 0.000 2.489 229 D HA 0.215 5.009 4.640 0.258 0.000 0.237 229 D C 1.465 177.727 176.300 -0.064 0.000 1.212 229 D CA 0.576 54.573 54.000 -0.006 0.000 1.058 229 D CB 0.620 41.462 40.800 0.071 0.000 1.098 229 D HN 0.255 nan 8.370 nan 0.000 0.509 230 R N 2.290 122.746 120.500 -0.073 0.000 2.075 230 R HA -0.088 4.407 4.340 0.258 0.000 0.232 230 R C 2.211 178.463 176.300 -0.081 0.000 1.126 230 R CA 2.025 58.086 56.100 -0.065 0.000 0.963 230 R CB -1.650 28.617 30.300 -0.054 0.000 0.858 230 R HN 0.545 nan 8.270 nan 0.000 0.435 231 E N -0.895 119.236 120.200 -0.115 0.000 2.150 231 E HA 0.212 4.717 4.350 0.258 0.000 0.193 231 E C 1.899 178.421 176.600 -0.132 0.000 0.985 231 E CA 1.499 57.826 56.400 -0.122 0.000 0.814 231 E CB -0.766 28.846 29.700 -0.147 0.000 0.752 231 E HN 1.843 nan 8.360 nan 0.000 0.466 232 G N -0.035 108.666 108.800 -0.165 0.000 2.165 232 G HA2 -0.290 3.824 3.960 0.258 0.000 0.226 232 G HA3 -0.290 3.824 3.960 0.258 0.000 0.226 232 G C 1.007 175.797 174.900 -0.183 0.000 1.035 232 G CA 0.509 45.526 45.100 -0.138 0.000 0.744 232 G HN 0.469 nan 8.290 nan 0.000 0.501 233 R N -0.963 119.327 120.500 -0.350 0.000 2.119 233 R HA 0.124 4.619 4.340 0.258 0.000 0.222 233 R C 1.556 177.719 176.300 -0.228 0.000 1.088 233 R CA 1.387 57.269 56.100 -0.363 0.000 0.984 233 R CB -0.179 29.797 30.300 -0.540 0.000 0.884 233 R HN 0.431 nan 8.270 nan 0.000 0.447 234 F N 0.863 120.804 119.950 -0.014 0.000 2.765 234 F HA 0.114 4.795 4.527 0.257 0.000 0.302 234 F C 2.029 177.810 175.800 -0.031 0.000 1.111 234 F CA -0.172 57.818 58.000 -0.016 0.000 1.359 234 F CB -0.334 38.679 39.000 0.023 0.000 1.097 234 F HN -0.041 nan 8.300 nan 0.000 0.577 235 E N 0.904 121.148 120.200 0.074 0.000 2.031 235 E HA -0.155 4.349 4.350 0.258 0.000 0.193 235 E C 2.040 178.630 176.600 -0.016 0.000 0.994 235 E CA 2.247 58.662 56.400 0.026 0.000 0.800 235 E CB -0.513 29.178 29.700 -0.015 0.000 0.752 235 E HN 0.208 nan 8.360 nan 0.000 0.447 236 T N 0.665 115.191 114.554 -0.047 0.000 2.708 236 T HA -0.158 4.346 4.350 0.258 0.000 0.266 236 T C 1.849 176.461 174.700 -0.147 0.000 1.037 236 T CA 1.624 63.660 62.100 -0.106 0.000 1.146 236 T CB -0.258 68.534 68.868 -0.126 0.000 0.865 236 T HN 0.277 nan 8.240 nan 0.000 0.435 237 Q N 0.009 119.745 119.800 -0.106 0.000 2.119 237 Q HA 0.011 4.505 4.340 0.258 0.000 0.201 237 Q C 2.319 178.259 176.000 -0.101 0.000 0.972 237 Q CA 0.848 56.573 55.803 -0.130 0.000 0.847 237 Q CB -0.272 28.434 28.738 -0.053 0.000 0.903 237 Q HN 0.297 nan 8.270 nan 0.000 0.433 238 L N 0.587 121.784 121.223 -0.045 0.000 2.056 238 L HA -0.103 4.392 4.340 0.258 0.000 0.207 238 L C 2.142 178.958 176.870 -0.090 0.000 1.078 238 L CA 1.911 56.713 54.840 -0.063 0.000 0.749 238 L CB -0.684 41.383 42.059 0.013 0.000 0.901 238 L HN 0.115 nan 8.230 nan 0.000 0.433 239 A N -0.505 122.269 122.820 -0.076 0.000 1.902 239 A HA -0.196 4.278 4.320 0.258 0.000 0.217 239 A C 2.023 179.556 177.584 -0.084 0.000 1.181 239 A CA 1.827 53.819 52.037 -0.074 0.000 0.623 239 A CB -0.707 18.249 19.000 -0.073 0.000 0.818 239 A HN 0.595 nan 8.150 nan 0.000 0.443 240 N N -0.438 118.180 118.700 -0.138 0.000 2.396 240 N HA -0.069 4.825 4.740 0.258 0.000 0.180 240 N C 1.478 177.008 175.510 0.033 0.000 1.028 240 N CA 1.041 54.014 53.050 -0.129 0.000 0.893 240 N CB -0.322 37.904 38.487 -0.436 0.000 0.967 240 N HN 0.440 nan 8.380 nan 0.000 0.440 241 L N 1.511 122.727 121.223 -0.013 0.000 2.072 241 L HA -0.045 4.450 4.340 0.258 0.000 0.205 241 L C 2.069 178.926 176.870 -0.022 0.000 1.079 241 L CA 1.564 56.409 54.840 0.009 0.000 0.752 241 L CB -0.622 41.308 42.059 -0.215 0.000 0.906 241 L HN 0.055 nan 8.230 nan 0.000 0.436 242 Q N -0.605 119.150 119.800 -0.075 0.000 2.096 242 Q HA -0.240 4.255 4.340 0.258 0.000 0.204 242 Q C 2.323 178.324 176.000 0.002 0.000 0.982 242 Q CA 2.031 57.806 55.803 -0.047 0.000 0.850 242 Q CB -0.167 28.544 28.738 -0.045 0.000 0.901 242 Q HN 0.490 nan 8.270 nan 0.000 0.422 243 R N -0.723 119.791 120.500 0.023 0.000 2.120 243 R HA -0.175 4.320 4.340 0.258 0.000 0.234 243 R C 2.042 178.382 176.300 0.066 0.000 1.123 243 R CA 1.357 57.479 56.100 0.038 0.000 0.975 243 R CB -0.255 30.071 30.300 0.043 0.000 0.866 243 R HN 0.322 nan 8.270 nan 0.000 0.446 244 Y N 1.006 121.310 120.300 0.007 0.000 2.220 244 Y HA -0.074 4.631 4.550 0.258 0.000 0.291 244 Y C 1.831 177.655 175.900 -0.127 0.000 1.129 244 Y CA 1.190 59.261 58.100 -0.048 0.000 1.161 244 Y CB -0.034 38.413 38.460 -0.022 0.000 0.997 244 Y HN -0.092 nan 8.280 nan 0.000 0.522 245 I N 0.145 120.669 120.570 -0.077 0.000 2.286 245 I HA -0.251 4.074 4.170 0.258 0.000 0.248 245 I C 2.326 178.381 176.117 -0.103 0.000 1.115 245 I CA 1.746 63.019 61.300 -0.045 0.000 1.392 245 I CB -0.338 37.730 38.000 0.113 0.000 1.065 245 I HN 0.215 nan 8.210 nan 0.000 0.418 246 E N 1.337 121.491 120.200 -0.078 0.000 2.077 246 E HA -0.267 4.238 4.350 0.258 0.000 0.193 246 E C 2.279 178.808 176.600 -0.119 0.000 0.989 246 E CA 1.375 57.732 56.400 -0.070 0.000 0.800 246 E CB -0.122 29.555 29.700 -0.038 0.000 0.746 246 E HN 0.229 nan 8.360 nan 0.000 0.452 247 R N -0.236 120.159 120.500 -0.174 0.000 2.073 247 R HA -0.101 4.393 4.340 0.258 0.000 0.234 247 R C 2.081 178.217 176.300 -0.273 0.000 1.134 247 R CA 1.392 57.368 56.100 -0.207 0.000 0.952 247 R CB -0.028 30.139 30.300 -0.220 0.000 0.850 247 R HN 0.042 nan 8.270 nan 0.000 0.433 248 R N 0.245 120.491 120.500 -0.423 0.000 2.189 248 R HA -0.057 4.438 4.340 0.258 0.000 0.218 248 R C 2.168 178.353 176.300 -0.191 0.000 1.074 248 R CA 0.851 56.729 56.100 -0.371 0.000 0.991 248 R CB -0.478 29.505 30.300 -0.527 0.000 0.883 248 R HN 0.338 nan 8.270 nan 0.000 0.457 249 R N 0.730 121.141 120.500 -0.148 0.000 2.073 249 R HA -0.036 4.458 4.340 0.258 0.000 0.229 249 R C 1.352 177.606 176.300 -0.076 0.000 1.120 249 R CA 1.190 57.235 56.100 -0.092 0.000 0.967 249 R CB 0.107 30.370 30.300 -0.062 0.000 0.862 249 R HN 0.085 nan 8.270 nan 0.000 0.436 275 S N 2.971 118.675 115.700 0.007 0.000 2.524 275 S HA 0.235 4.860 4.470 0.258 0.000 0.215 275 S C 0.024 174.682 174.600 0.095 0.000 0.986 275 S CA -0.012 58.271 58.200 0.139 0.000 0.911 275 S CB -0.035 63.413 63.200 0.412 0.000 0.805 275 S HN 0.836 nan 8.310 nan 0.000 0.501 276 F N 2.812 122.653 119.950 -0.181 0.000 2.375 276 F HA 0.584 5.266 4.527 0.258 0.000 0.362 276 F C -1.222 174.467 175.800 -0.186 0.000 1.129 276 F CA -1.890 56.080 58.000 -0.050 0.000 1.154 276 F CB 0.036 39.015 39.000 -0.035 0.000 1.205 276 F HN -0.018 nan 8.300 nan 0.000 0.513 277 F N 7.172 127.028 119.950 -0.156 0.000 2.402 277 F HA 0.431 5.112 4.527 0.258 0.000 0.355 277 F C -2.166 173.545 175.800 -0.148 0.000 1.123 277 F CA -2.763 55.179 58.000 -0.097 0.000 1.021 277 F CB 1.050 40.020 39.000 -0.051 0.000 1.160 277 F HN 0.357 nan 8.300 nan 0.000 0.451 278 P HA 0.024 nan 4.420 nan 0.000 0.267 278 P C -0.068 177.310 177.300 0.130 0.000 1.205 278 P CA 0.517 63.723 63.100 0.177 0.000 0.765 278 P CB 0.739 32.643 31.700 0.340 0.000 0.828 279 H N 3.186 122.228 119.070 -0.046 0.000 2.179 279 H HA 0.302 5.013 4.556 0.258 0.000 0.246 279 H C 0.214 175.577 175.328 0.059 0.000 0.904 279 H CA 0.732 56.820 56.048 0.066 0.000 1.113 279 H CB 0.552 30.425 29.762 0.185 0.000 1.396 279 H HN 0.418 nan 8.280 nan 0.000 0.484 280 F N 0.002 119.863 119.950 -0.148 0.000 2.831 280 F HA 0.513 5.195 4.527 0.258 0.000 0.318 280 F C -1.900 173.696 175.800 -0.340 0.000 1.174 280 F CA -1.383 56.384 58.000 -0.388 0.000 0.918 280 F CB 1.128 39.540 39.000 -0.981 0.000 1.364 280 F HN -0.065 nan 8.300 nan 0.000 0.475 281 L N 0.316 121.454 121.223 -0.141 0.000 2.341 281 L HA 0.991 5.485 4.340 0.258 0.000 0.254 281 L C -0.618 176.275 176.870 0.038 0.000 1.040 281 L CA -0.811 53.976 54.840 -0.088 0.000 0.837 281 L CB 1.537 43.448 42.059 -0.247 0.000 1.425 281 L HN 1.056 nan 8.230 nan 0.000 0.414 282 S N -1.176 114.526 115.700 0.004 0.000 2.618 282 S HA 0.900 5.525 4.470 0.258 0.000 0.277 282 S C -0.754 173.749 174.600 -0.163 0.000 1.138 282 S CA -0.185 57.891 58.200 -0.206 0.000 0.844 282 S CB 1.849 64.689 63.200 -0.601 0.000 1.127 282 S HN 1.203 nan 8.310 nan 0.000 0.474 283 T N 0.930 115.414 114.554 -0.116 0.000 2.993 283 T HA 0.458 4.962 4.350 0.258 0.000 0.312 283 T C -1.783 172.951 174.700 0.057 0.000 1.115 283 T CA -0.535 61.581 62.100 0.026 0.000 1.027 283 T CB 1.182 70.162 68.868 0.186 0.000 1.116 283 T HN 0.661 nan 8.240 nan 0.000 0.464 284 D N 2.745 123.194 120.400 0.081 0.000 2.382 284 D HA 0.247 5.041 4.640 0.258 0.000 0.240 284 D C 0.168 176.548 176.300 0.134 0.000 1.146 284 D CA 0.049 54.107 54.000 0.095 0.000 0.897 284 D CB 0.811 41.674 40.800 0.104 0.000 1.197 284 D HN 0.445 nan 8.370 nan 0.000 0.432 285 L N 2.186 123.477 121.223 0.113 0.000 2.494 285 L HA 0.292 4.786 4.340 0.258 0.000 0.251 285 L C 0.028 176.955 176.870 0.096 0.000 1.119 285 L CA -0.532 54.377 54.840 0.114 0.000 1.026 285 L CB -0.050 42.055 42.059 0.077 0.000 1.370 285 L HN 0.161 nan 8.230 nan 0.000 0.426 286 V N -2.906 117.074 119.914 0.110 0.000 3.076 286 V HA 0.687 4.962 4.120 0.258 0.000 0.311 286 V C 0.303 176.457 176.094 0.100 0.000 1.346 286 V CA -0.694 61.663 62.300 0.095 0.000 1.056 286 V CB 1.239 33.118 31.823 0.092 0.000 1.093 286 V HN 0.382 nan 8.190 nan 0.000 0.468 287 E N 0.591 120.842 120.200 0.085 0.000 3.025 287 E HA 0.141 4.645 4.350 0.258 0.000 0.248 287 E C -1.934 174.720 176.600 0.090 0.000 0.938 287 E CA 0.244 56.691 56.400 0.077 0.000 0.958 287 E CB -1.177 28.561 29.700 0.063 0.000 0.898 287 E HN 0.806 nan 8.360 nan 0.000 0.537 288 P HA -0.117 nan 4.420 nan 0.000 0.215 288 P C 1.698 179.045 177.300 0.078 0.000 1.157 288 P CA 1.550 64.707 63.100 0.095 0.000 0.868 288 P CB 0.140 31.883 31.700 0.071 0.000 0.788 289 G N -0.978 107.846 108.800 0.041 0.000 2.509 289 G HA2 -0.115 3.999 3.960 0.258 0.000 0.218 289 G HA3 -0.115 3.999 3.960 0.258 0.000 0.218 289 G C 1.302 176.214 174.900 0.019 0.000 1.124 289 G CA 1.054 46.158 45.100 0.006 0.000 0.776 289 G HN 0.467 nan 8.290 nan 0.000 0.547 290 K N 0.065 120.501 120.400 0.060 0.000 2.646 290 K HA 0.638 5.113 4.320 0.258 0.000 0.206 290 K C 0.348 177.024 176.600 0.126 0.000 1.069 290 K CA 0.170 56.504 56.287 0.078 0.000 1.067 290 K CB 0.255 32.792 32.500 0.062 0.000 0.807 290 K HN 0.249 nan 8.250 nan 0.000 0.482 291 S N 0.195 115.998 115.700 0.171 0.000 2.651 291 S HA 0.745 5.369 4.470 0.258 0.000 0.291 291 S C -0.508 174.276 174.600 0.306 0.000 1.141 291 S CA -0.581 57.747 58.200 0.212 0.000 1.027 291 S CB 0.760 64.087 63.200 0.211 0.000 1.043 291 S HN 0.577 nan 8.310 nan 0.000 0.530 292 R N 1.333 121.967 120.500 0.223 0.000 2.686 292 R HA 0.658 5.153 4.340 0.258 0.000 0.286 292 R C -1.529 174.769 176.300 -0.004 0.000 0.969 292 R CA -0.796 55.380 56.100 0.127 0.000 0.898 292 R CB 2.001 32.387 30.300 0.143 0.000 1.183 292 R HN 0.417 nan 8.270 nan 0.000 0.456 293 V N 2.444 122.193 119.914 -0.275 0.000 2.581 293 V HA 0.411 4.685 4.120 0.258 0.000 0.303 293 V C -0.340 175.667 176.094 -0.145 0.000 1.041 293 V CA -0.838 61.320 62.300 -0.236 0.000 0.907 293 V CB 1.984 33.579 31.823 -0.380 0.000 0.994 293 V HN 0.627 nan 8.190 nan 0.000 0.442 294 K N 3.392 123.738 120.400 -0.089 0.000 2.292 294 K HA 0.511 4.986 4.320 0.258 0.000 0.257 294 K C -1.350 175.214 176.600 -0.060 0.000 0.940 294 K CA -0.415 55.802 56.287 -0.117 0.000 0.811 294 K CB 2.320 34.576 32.500 -0.408 0.000 1.120 294 K HN 0.567 nan 8.250 nan 0.000 0.428 295 F N 3.404 123.290 119.950 -0.107 0.000 2.404 295 F HA 0.324 5.006 4.527 0.258 0.000 0.354 295 F C -0.983 174.783 175.800 -0.057 0.000 1.122 295 F CA -0.521 57.479 58.000 0.001 0.000 1.080 295 F CB 0.557 39.630 39.000 0.121 0.000 1.131 295 F HN 0.410 nan 8.300 nan 0.000 0.471 296 Y N 4.307 124.354 120.300 -0.421 0.000 2.342 296 Y HA 0.705 5.409 4.550 0.258 0.000 0.334 296 Y C 0.063 175.822 175.900 -0.236 0.000 1.067 296 Y CA -0.871 56.946 58.100 -0.472 0.000 1.128 296 Y CB 1.586 39.081 38.460 -1.607 0.000 1.200 296 Y HN 0.667 nan 8.280 nan 0.000 0.464 297 A N 1.494 124.439 122.820 0.209 0.000 2.475 297 A HA 0.749 5.223 4.320 0.258 0.000 0.301 297 A C -0.806 176.888 177.584 0.182 0.000 1.059 297 A CA -0.742 51.361 52.037 0.110 0.000 0.710 297 A CB 1.199 20.074 19.000 -0.208 0.000 1.288 297 A HN 0.701 nan 8.150 nan 0.000 0.408 298 S N 0.745 116.564 115.700 0.199 0.000 2.509 298 S HA 0.686 5.311 4.470 0.258 0.000 0.297 298 S C -0.627 174.159 174.600 0.311 0.000 1.118 298 S CA -0.443 57.944 58.200 0.312 0.000 1.074 298 S CB 1.608 65.025 63.200 0.362 0.000 1.038 298 S HN 0.806 nan 8.310 nan 0.000 0.498 299 E N 1.274 121.727 120.200 0.421 0.000 2.187 299 E HA 0.462 4.967 4.350 0.258 0.000 0.268 299 E C 0.567 177.358 176.600 0.319 0.000 0.896 299 E CA -0.694 55.978 56.400 0.453 0.000 0.766 299 E CB 1.253 31.322 29.700 0.615 0.000 1.142 299 E HN 0.700 nan 8.360 nan 0.000 0.408 300 R N 2.030 122.654 120.500 0.208 0.000 2.080 300 R HA 0.068 4.562 4.340 0.258 0.000 0.222 300 R C 0.142 176.349 176.300 -0.155 0.000 1.107 300 R CA 0.510 56.544 56.100 -0.109 0.000 0.980 300 R CB -0.220 29.823 30.300 -0.428 0.000 0.879 300 R HN 0.578 nan 8.270 nan 0.000 0.439 301 H N 0.641 119.800 119.070 0.148 0.000 3.291 301 H HA 0.065 4.776 4.556 0.258 0.000 0.256 301 H C -0.672 174.753 175.328 0.161 0.000 1.315 301 H CA -0.213 55.945 56.048 0.183 0.000 1.521 301 H CB 0.382 30.271 29.762 0.211 0.000 1.621 301 H HN -0.123 nan 8.280 nan 0.000 0.498 302 V N 5.086 125.109 119.914 0.181 0.000 2.267 302 V HA 0.120 4.395 4.120 0.258 0.000 0.254 302 V C -0.191 176.108 176.094 0.341 0.000 1.144 302 V CA -0.421 62.067 62.300 0.313 0.000 0.992 302 V CB -0.882 31.135 31.823 0.323 0.000 1.199 302 V HN 0.854 nan 8.190 nan 0.000 0.493 303 N N 2.653 121.494 118.700 0.235 0.000 2.610 303 N HA 0.425 5.320 4.740 0.258 0.000 0.264 303 N C 0.145 175.460 175.510 -0.323 0.000 1.348 303 N CA -0.986 52.092 53.050 0.046 0.000 0.819 303 N CB 1.451 39.968 38.487 0.050 0.000 1.521 303 N HN 0.059 nan 8.380 nan 0.000 0.497 304 L N -0.311 120.548 121.223 -0.608 0.000 2.191 304 L HA -0.144 4.351 4.340 0.258 0.000 0.212 304 L C 1.719 178.373 176.870 -0.361 0.000 1.103 304 L CA 1.404 55.806 54.840 -0.730 0.000 0.769 304 L CB -0.319 41.286 42.059 -0.756 0.000 0.908 304 L HN 0.647 nan 8.230 nan 0.000 0.438 305 Q N -1.240 118.421 119.800 -0.230 0.000 2.079 305 Q HA -0.230 4.265 4.340 0.258 0.000 0.200 305 Q C 2.068 177.999 176.000 -0.115 0.000 0.974 305 Q CA 1.595 57.307 55.803 -0.151 0.000 0.840 305 Q CB -0.245 28.424 28.738 -0.115 0.000 0.898 305 Q HN 0.299 nan 8.270 nan 0.000 0.430 306 M N -0.518 119.032 119.600 -0.083 0.000 2.175 306 M HA -0.100 4.534 4.480 0.258 0.000 0.264 306 M C 1.646 177.933 176.300 -0.022 0.000 1.063 306 M CA 1.095 56.381 55.300 -0.024 0.000 1.119 306 M CB -0.013 32.634 32.600 0.077 0.000 1.377 306 M HN 0.058 nan 8.290 nan 0.000 0.415 307 V N 0.115 120.011 119.914 -0.031 0.000 2.295 307 V HA -0.285 3.989 4.120 0.258 0.000 0.246 307 V C 2.290 178.388 176.094 0.007 0.000 1.049 307 V CA 2.294 64.628 62.300 0.058 0.000 1.024 307 V CB -0.980 30.818 31.823 -0.040 0.000 0.648 307 V HN 0.624 nan 8.190 nan 0.000 0.447 308 E N 0.325 120.480 120.200 -0.076 0.000 2.085 308 E HA -0.331 4.174 4.350 0.258 0.000 0.194 308 E C 1.927 178.508 176.600 -0.030 0.000 0.994 308 E CA 1.937 58.312 56.400 -0.042 0.000 0.801 308 E CB -0.236 29.410 29.700 -0.090 0.000 0.743 308 E HN 0.710 nan 8.360 nan 0.000 0.453 309 D N -0.218 120.140 120.400 -0.070 0.000 2.104 309 D HA -0.167 4.628 4.640 0.258 0.000 0.194 309 D C 1.947 178.127 176.300 -0.200 0.000 0.994 309 D CA 1.758 55.713 54.000 -0.076 0.000 0.830 309 D CB -0.032 40.740 40.800 -0.046 0.000 0.959 309 D HN 0.292 nan 8.370 nan 0.000 0.452 310 I N -0.347 120.048 120.570 -0.293 0.000 2.233 310 I HA -0.167 4.157 4.170 0.258 0.000 0.243 310 I C 2.211 177.939 176.117 -0.648 0.000 1.093 310 I CA 0.535 61.435 61.300 -0.667 0.000 1.380 310 I CB -0.398 37.119 38.000 -0.805 0.000 1.067 310 I HN 0.333 nan 8.210 nan 0.000 0.413 311 W N 1.972 123.018 121.300 -0.425 0.000 2.374 311 W HA -0.199 4.616 4.660 0.257 0.000 0.288 311 W C 2.084 178.507 176.519 -0.160 0.000 1.218 311 W CA 2.086 59.314 57.345 -0.196 0.000 1.245 311 W CB 0.048 29.485 29.460 -0.038 0.000 1.126 311 W HN 0.274 nan 8.180 nan 0.000 0.545 312 T N -3.817 110.707 114.554 -0.049 0.000 3.054 312 T HA 0.121 4.625 4.350 0.258 0.000 0.255 312 T C 0.459 175.081 174.700 -0.130 0.000 1.035 312 T CA -0.333 61.732 62.100 -0.058 0.000 0.941 312 T CB -0.900 67.965 68.868 -0.004 0.000 1.026 312 T HN 0.043 nan 8.240 nan 0.000 0.533 313 F N 1.855 121.476 119.950 -0.547 0.000 2.983 313 F HA -0.078 4.604 4.527 0.257 0.000 0.288 313 F C 1.404 177.074 175.800 -0.217 0.000 0.980 313 F CA 0.758 58.361 58.000 -0.663 0.000 0.965 313 F CB -1.994 36.553 39.000 -0.756 0.000 0.967 313 F HN 0.587 nan 8.300 nan 0.000 0.800 314 G N -0.767 108.046 108.800 0.022 0.000 2.179 314 G HA2 0.125 4.240 3.960 0.258 0.000 0.257 314 G HA3 0.125 4.240 3.960 0.258 0.000 0.257 314 G C 1.372 176.282 174.900 0.017 0.000 1.010 314 G CA 0.974 46.123 45.100 0.080 0.000 0.736 314 G HN 2.245 nan 8.290 nan 0.000 0.513 315 G N -1.644 107.141 108.800 -0.023 0.000 2.176 315 G HA2 -0.243 3.871 3.960 0.258 0.000 0.232 315 G HA3 -0.243 3.871 3.960 0.258 0.000 0.232 315 G C 1.197 176.073 174.900 -0.039 0.000 0.986 315 G CA 0.784 45.867 45.100 -0.028 0.000 0.643 315 G HN 1.178 nan 8.290 nan 0.000 0.522 316 L N -0.439 120.743 121.223 -0.068 0.000 2.131 316 L HA 0.205 4.700 4.340 0.258 0.000 0.206 316 L C 1.857 178.613 176.870 -0.191 0.000 1.087 316 L CA 0.987 55.788 54.840 -0.065 0.000 0.767 316 L CB 0.010 42.093 42.059 0.039 0.000 0.917 316 L HN 0.239 nan 8.230 nan 0.000 0.441 317 R N 0.994 121.240 120.500 -0.423 0.000 2.280 317 R HA 0.254 4.749 4.340 0.258 0.000 0.326 317 R C -0.300 175.919 176.300 -0.135 0.000 1.080 317 R CA -0.153 55.707 56.100 -0.400 0.000 1.002 317 R CB 0.279 30.136 30.300 -0.738 0.000 1.136 317 R HN 0.145 nan 8.270 nan 0.000 0.509 318 R N 2.825 123.295 120.500 -0.050 0.000 2.688 318 R HA 0.087 4.582 4.340 0.258 0.000 0.396 318 R C -0.632 175.680 176.300 0.020 0.000 1.081 318 R CA -0.450 55.650 56.100 -0.001 0.000 1.093 318 R CB 0.539 30.838 30.300 -0.002 0.000 1.338 318 R HN 0.683 nan 8.270 nan 0.000 0.613 319 D N -0.270 120.147 120.400 0.029 0.000 2.360 319 D HA 0.078 4.873 4.640 0.258 0.000 0.242 319 D C -1.810 174.523 176.300 0.055 0.000 1.184 319 D CA -1.488 52.538 54.000 0.044 0.000 0.930 319 D CB 1.341 42.173 40.800 0.053 0.000 1.161 319 D HN -0.221 nan 8.370 nan 0.000 0.447 320 P HA -0.168 nan 4.420 nan 0.000 0.216 320 P C 0.968 178.318 177.300 0.082 0.000 1.153 320 P CA 1.442 64.580 63.100 0.063 0.000 0.858 320 P CB 0.057 31.797 31.700 0.066 0.000 0.789 321 D N -0.830 119.640 120.400 0.116 0.000 2.117 321 D HA -0.142 4.653 4.640 0.258 0.000 0.197 321 D C 1.912 178.299 176.300 0.145 0.000 0.987 321 D CA 1.337 55.446 54.000 0.182 0.000 0.829 321 D CB -0.517 40.410 40.800 0.212 0.000 0.961 321 D HN -0.014 nan 8.370 nan 0.000 0.460 322 A N -0.099 122.799 122.820 0.130 0.000 1.898 322 A HA -0.061 4.414 4.320 0.258 0.000 0.216 322 A C 2.306 180.024 177.584 0.225 0.000 1.181 322 A CA 0.928 53.072 52.037 0.178 0.000 0.620 322 A CB -0.675 18.376 19.000 0.085 0.000 0.819 322 A HN 0.348 nan 8.150 nan 0.000 0.442 323 L N -1.272 120.010 121.223 0.099 0.000 2.095 323 L HA -0.140 4.354 4.340 0.258 0.000 0.204 323 L C 3.023 179.874 176.870 -0.032 0.000 1.080 323 L CA 1.063 55.932 54.840 0.048 0.000 0.759 323 L CB -0.525 41.550 42.059 0.027 0.000 0.914 323 L HN 0.285 nan 8.230 nan 0.000 0.439 324 R N 0.140 120.591 120.500 -0.081 0.000 2.105 324 R HA -0.083 4.412 4.340 0.258 0.000 0.239 324 R C 2.298 178.322 176.300 -0.460 0.000 1.135 324 R CA 1.055 57.042 56.100 -0.188 0.000 0.967 324 R CB -1.733 28.494 30.300 -0.123 0.000 0.861 324 R HN 0.668 nan 8.270 nan 0.000 0.442 325 G N 0.552 108.949 108.800 -0.670 0.000 2.402 325 G HA2 -0.202 3.913 3.960 0.258 0.000 0.216 325 G HA3 -0.202 3.913 3.960 0.258 0.000 0.216 325 G C 1.403 176.184 174.900 -0.198 0.000 1.162 325 G CA 0.759 45.525 45.100 -0.558 0.000 0.777 325 G HN 0.389 nan 8.290 nan 0.000 0.539 326 L N 1.420 122.510 121.223 -0.222 0.000 2.093 326 L HA 0.101 4.596 4.340 0.258 0.000 0.208 326 L C 2.948 179.637 176.870 -0.303 0.000 1.085 326 L CA 2.625 57.189 54.840 -0.460 0.000 0.755 326 L CB -1.043 40.866 42.059 -0.251 0.000 0.904 326 L HN 0.382 nan 8.230 nan 0.000 0.435 327 E N -0.404 119.693 120.200 -0.172 0.000 2.077 327 E HA -0.234 4.271 4.350 0.258 0.000 0.193 327 E C 2.075 178.652 176.600 -0.038 0.000 0.989 327 E CA 1.623 57.952 56.400 -0.118 0.000 0.800 327 E CB -1.151 28.526 29.700 -0.039 0.000 0.746 327 E HN 0.478 nan 8.360 nan 0.000 0.452 328 L N -0.176 121.093 121.223 0.077 0.000 2.156 328 L HA 0.131 4.625 4.340 0.258 0.000 0.208 328 L C 2.496 179.415 176.870 0.082 0.000 1.095 328 L CA 1.617 56.639 54.840 0.305 0.000 0.770 328 L CB -0.255 42.094 42.059 0.484 0.000 0.914 328 L HN 0.459 nan 8.230 nan 0.000 0.439 329 L N -0.878 120.162 121.223 -0.305 0.000 2.083 329 L HA -0.225 4.270 4.340 0.258 0.000 0.209 329 L C 2.679 179.323 176.870 -0.376 0.000 1.083 329 L CA 1.296 55.624 54.840 -0.854 0.000 0.752 329 L CB -0.263 41.264 42.059 -0.886 0.000 0.899 329 L HN 0.248 nan 8.230 nan 0.000 0.433 330 R N -1.365 118.966 120.500 -0.283 0.000 2.096 330 R HA -0.151 4.344 4.340 0.258 0.000 0.235 330 R C 2.221 178.447 176.300 -0.124 0.000 1.127 330 R CA 1.254 57.215 56.100 -0.232 0.000 0.968 330 R CB -0.533 29.575 30.300 -0.319 0.000 0.861 330 R HN 0.553 nan 8.270 nan 0.000 0.440 331 H N -0.241 118.844 119.070 0.025 0.000 2.326 331 H HA -0.136 4.575 4.556 0.257 0.000 0.301 331 H C 1.951 177.338 175.328 0.098 0.000 1.081 331 H CA 1.457 57.568 56.048 0.105 0.000 1.334 331 H CB -0.550 29.330 29.762 0.197 0.000 1.385 331 H HN 0.146 nan 8.280 nan 0.000 0.504 332 F N 0.877 120.787 119.950 -0.067 0.000 2.120 332 F HA -0.276 4.406 4.527 0.257 0.000 0.300 332 F C 2.651 178.271 175.800 -0.300 0.000 1.095 332 F CA 1.544 59.205 58.000 -0.566 0.000 1.249 332 F CB -0.366 37.960 39.000 -1.123 0.000 0.995 332 F HN 0.221 nan 8.300 nan 0.000 0.480 333 W N 1.157 122.277 121.300 -0.299 0.000 2.355 333 W HA -0.193 4.622 4.660 0.258 0.000 0.309 333 W C 2.285 178.653 176.519 -0.251 0.000 1.206 333 W CA 2.330 59.508 57.345 -0.277 0.000 1.284 333 W CB -0.804 28.561 29.460 -0.160 0.000 1.145 333 W HN 0.176 nan 8.180 nan 0.000 0.502 334 A N 0.328 123.206 122.820 0.096 0.000 1.929 334 A HA -0.179 4.296 4.320 0.258 0.000 0.216 334 A C 1.653 179.195 177.584 -0.070 0.000 1.176 334 A CA 1.860 53.923 52.037 0.043 0.000 0.628 334 A CB -0.880 18.165 19.000 0.075 0.000 0.816 334 A HN 0.183 nan 8.150 nan 0.000 0.444 335 D N 0.410 120.749 120.400 -0.101 0.000 2.117 335 D HA -0.136 4.659 4.640 0.258 0.000 0.198 335 D C 1.861 178.016 176.300 -0.241 0.000 0.982 335 D CA 1.652 55.578 54.000 -0.123 0.000 0.828 335 D CB -0.415 40.358 40.800 -0.046 0.000 0.967 335 D HN 0.710 nan 8.370 nan 0.000 0.464 336 I N -1.633 118.686 120.570 -0.418 0.000 3.564 336 I HA 0.025 4.349 4.170 0.258 0.000 0.294 336 I C -0.370 175.533 176.117 -0.356 0.000 1.289 336 I CA 0.264 61.295 61.300 -0.447 0.000 1.325 336 I CB -0.385 37.213 38.000 -0.671 0.000 1.039 336 I HN -0.115 nan 8.210 nan 0.000 0.474 337 Q N 0.975 120.594 119.800 -0.303 0.000 2.460 337 Q HA -0.193 4.302 4.340 0.258 0.000 0.311 337 Q C -0.043 175.788 176.000 -0.281 0.000 1.396 337 Q CA 0.420 56.090 55.803 -0.221 0.000 0.838 337 Q CB -1.521 27.128 28.738 -0.148 0.000 1.140 337 Q HN 0.607 nan 8.270 nan 0.000 0.415 338 M N 0.896 120.201 119.600 -0.492 0.000 2.268 338 M HA 0.212 4.846 4.480 0.258 0.000 0.349 338 M C 0.490 176.626 176.300 -0.273 0.000 1.485 338 M CA 1.149 56.079 55.300 -0.616 0.000 1.094 338 M CB 0.417 32.114 32.600 -1.504 0.000 1.843 338 M HN 0.279 nan 8.290 nan 0.000 0.460 339 R N 4.534 124.970 120.500 -0.107 0.000 2.267 339 R HA 0.381 4.876 4.340 0.258 0.000 0.319 339 R C -0.309 176.117 176.300 0.210 0.000 1.067 339 R CA -0.301 55.839 56.100 0.066 0.000 0.936 339 R CB -0.707 29.637 30.300 0.073 0.000 1.006 339 R HN 0.844 nan 8.270 nan 0.000 0.452 340 E N 0.555 120.904 120.200 0.248 0.000 2.349 340 E HA 0.624 5.128 4.350 0.258 0.000 0.265 340 E C 0.436 177.113 176.600 0.128 0.000 1.064 340 E CA 0.263 56.824 56.400 0.268 0.000 0.886 340 E CB 1.567 31.420 29.700 0.254 0.000 1.036 340 E HN 0.939 nan 8.360 nan 0.000 0.413 341 G N 0.852 109.581 108.800 -0.118 0.000 2.322 341 G HA2 0.105 4.220 3.960 0.258 0.000 0.295 341 G HA3 0.105 4.220 3.960 0.258 0.000 0.295 341 G C -2.251 172.240 174.900 -0.681 0.000 1.369 341 G CA -0.948 43.901 45.100 -0.418 0.000 0.821 341 G HN 0.432 nan 8.290 nan 0.000 0.536 342 Y N 1.217 121.146 120.300 -0.618 0.000 2.385 342 Y HA 0.702 5.407 4.550 0.258 0.000 0.341 342 Y C -1.167 174.514 175.900 -0.365 0.000 0.965 342 Y CA -0.783 57.031 58.100 -0.477 0.000 1.180 342 Y CB 0.698 38.973 38.460 -0.307 0.000 1.139 342 Y HN 0.420 nan 8.280 nan 0.000 0.502 343 Y N 3.510 123.570 120.300 -0.400 0.000 2.350 343 Y HA 0.379 5.083 4.550 0.258 0.000 0.338 343 Y C 0.516 176.165 175.900 -0.419 0.000 0.961 343 Y CA -1.616 56.304 58.100 -0.300 0.000 1.100 343 Y CB 1.331 39.703 38.460 -0.146 0.000 1.179 343 Y HN 0.632 nan 8.280 nan 0.000 0.454 344 T N -0.943 113.507 114.554 -0.174 0.000 2.810 344 T HA 0.562 5.067 4.350 0.258 0.000 0.277 344 T C 0.174 174.768 174.700 -0.176 0.000 0.973 344 T CA -1.011 60.973 62.100 -0.194 0.000 0.949 344 T CB 0.589 69.382 68.868 -0.125 0.000 1.075 344 T HN 0.335 nan 8.240 nan 0.000 0.537 345 M N 2.034 121.501 119.600 -0.222 0.000 2.238 345 M HA 0.337 4.972 4.480 0.258 0.000 0.350 345 M C -2.191 173.951 176.300 -0.265 0.000 1.321 345 M CA -1.939 53.181 55.300 -0.300 0.000 1.097 345 M CB -0.839 31.515 32.600 -0.409 0.000 1.713 345 M HN 0.444 nan 8.290 nan 0.000 0.455 346 P HA 0.207 nan 4.420 nan 0.000 0.269 346 P C 0.751 178.055 177.300 0.007 0.000 1.217 346 P CA -0.116 62.902 63.100 -0.137 0.000 0.783 346 P CB 0.367 32.064 31.700 -0.005 0.000 0.898 347 R N 1.286 121.784 120.500 -0.003 0.000 2.092 347 R HA 0.199 4.694 4.340 0.258 0.000 0.231 347 R C 1.283 177.627 176.300 0.074 0.000 1.119 347 R CA 1.781 57.897 56.100 0.026 0.000 0.970 347 R CB -1.335 28.960 30.300 -0.008 0.000 0.864 347 R HN 0.754 nan 8.270 nan 0.000 0.440 348 G N -2.939 105.901 108.800 0.067 0.000 2.682 348 G HA2 0.517 4.632 3.960 0.258 0.000 0.303 348 G HA3 0.517 4.632 3.960 0.258 0.000 0.303 348 G C -1.194 173.619 174.900 -0.146 0.000 1.341 348 G CA -0.756 44.299 45.100 -0.074 0.000 0.784 348 G HN 0.181 nan 8.290 nan 0.000 0.497 349 F N -0.605 119.193 119.950 -0.253 0.000 2.406 349 F HA 0.455 5.137 4.527 0.258 0.000 0.327 349 F C 0.936 176.657 175.800 -0.132 0.000 1.153 349 F CA -0.098 57.745 58.000 -0.262 0.000 1.218 349 F CB 1.428 40.178 39.000 -0.416 0.000 1.215 349 F HN 0.374 nan 8.300 nan 0.000 0.570 350 C N 3.811 123.105 119.300 -0.009 0.000 2.439 350 C HA 0.454 5.069 4.460 0.258 0.000 0.298 350 C C -0.103 174.859 174.990 -0.047 0.000 1.094 350 C CA -0.696 58.301 59.018 -0.036 0.000 1.609 350 C CB -1.971 25.683 27.740 -0.143 0.000 1.723 350 C HN 0.778 nan 8.230 nan 0.000 0.423 351 E N 1.599 121.766 120.200 -0.055 0.000 2.392 351 E HA 0.226 4.730 4.350 0.258 0.000 0.256 351 E C -0.107 176.410 176.600 -0.138 0.000 1.145 351 E CA -0.239 56.096 56.400 -0.109 0.000 0.929 351 E CB 0.365 29.983 29.700 -0.136 0.000 0.998 351 E HN 0.588 nan 8.360 nan 0.000 0.442 352 L N 1.742 122.862 121.223 -0.172 0.000 2.600 352 L HA 0.307 4.802 4.340 0.258 0.000 0.278 352 L C 0.863 177.629 176.870 -0.174 0.000 1.139 352 L CA 1.570 56.266 54.840 -0.239 0.000 0.933 352 L CB -0.729 41.248 42.059 -0.136 0.000 1.266 352 L HN 0.670 nan 8.230 nan 0.000 0.471 353 G N 3.881 112.565 108.800 -0.193 0.000 3.211 353 G HA2 -0.142 3.972 3.960 0.258 0.000 0.202 353 G HA3 -0.142 3.972 3.960 0.258 0.000 0.202 353 G C 0.110 174.953 174.900 -0.095 0.000 1.035 353 G CA -0.015 45.014 45.100 -0.120 0.000 0.846 353 G HN 0.715 nan 8.290 nan 0.000 0.464 354 K N 0.870 121.216 120.400 -0.090 0.000 2.132 354 K HA 0.775 5.249 4.320 0.258 0.000 0.241 354 K C 0.052 176.628 176.600 -0.040 0.000 1.000 354 K CA -0.098 56.160 56.287 -0.049 0.000 0.911 354 K CB 1.629 34.115 32.500 -0.024 0.000 1.093 354 K HN 0.137 nan 8.250 nan 0.000 0.460 355 S N 0.462 116.159 115.700 -0.006 0.000 2.564 355 S HA 0.141 4.766 4.470 0.258 0.000 0.278 355 S C -0.335 174.297 174.600 0.052 0.000 1.333 355 S CA -0.532 57.674 58.200 0.009 0.000 1.048 355 S CB 0.354 63.565 63.200 0.018 0.000 0.900 355 S HN 0.597 nan 8.310 nan 0.000 0.505 360 E N 4.660 124.485 120.200 -0.625 0.000 2.383 360 E HA 0.924 5.429 4.350 0.258 0.000 0.275 360 E C -1.829 174.417 176.600 -0.590 0.000 0.918 360 E CA -1.303 54.706 56.400 -0.652 0.000 0.764 360 E CB 2.616 31.714 29.700 -1.003 0.000 1.252 360 E HN 1.043 nan 8.360 nan 0.000 0.449 361 A N 1.636 124.260 122.820 -0.326 0.000 2.601 361 A HA 0.668 5.142 4.320 0.258 0.000 0.291 361 A C -2.983 174.669 177.584 0.113 0.000 1.075 361 A CA -1.327 50.659 52.037 -0.085 0.000 0.671 361 A CB 1.308 20.323 19.000 0.024 0.000 1.277 361 A HN 0.507 nan 8.150 nan 0.000 0.417 362 P HA 0.433 nan 4.420 nan 0.000 0.274 362 P C -0.037 177.438 177.300 0.291 0.000 1.231 362 P CA -0.262 62.960 63.100 0.203 0.000 0.790 362 P CB 0.401 32.181 31.700 0.134 0.000 0.951 363 M N 1.025 120.834 119.600 0.349 0.000 2.197 363 M HA 0.564 5.199 4.480 0.258 0.000 0.305 363 M C -0.325 176.221 176.300 0.410 0.000 1.162 363 M CA 0.165 55.699 55.300 0.391 0.000 1.099 363 M CB 0.679 33.528 32.600 0.415 0.000 1.430 363 M HN 0.143 nan 8.290 nan 0.000 0.481 364 M N 0.832 120.651 119.600 0.365 0.000 2.619 364 M HA 0.638 5.272 4.480 0.258 0.000 0.297 364 M C -1.858 174.599 176.300 0.262 0.000 1.229 364 M CA -0.336 55.181 55.300 0.363 0.000 0.860 364 M CB 2.865 35.601 32.600 0.226 0.000 1.741 364 M HN 0.699 nan 8.290 nan 0.000 0.462 365 F N 0.611 120.747 119.950 0.310 0.000 2.569 365 F HA 0.411 5.093 4.527 0.258 0.000 0.312 365 F C -0.123 175.604 175.800 -0.121 0.000 1.109 365 F CA -0.713 57.348 58.000 0.102 0.000 0.919 365 F CB 1.405 40.364 39.000 -0.068 0.000 1.211 365 F HN 0.483 nan 8.300 nan 0.000 0.446 366 H N 1.470 120.474 119.070 -0.110 0.000 2.502 366 H HA 0.629 5.340 4.556 0.258 0.000 0.338 366 H C -1.861 173.106 175.328 -0.602 0.000 1.155 366 H CA -0.742 54.982 56.048 -0.539 0.000 1.237 366 H CB 1.641 30.849 29.762 -0.923 0.000 1.534 366 H HN 0.462 nan 8.280 nan 0.000 0.523 367 F N 1.859 121.966 119.950 0.262 0.000 2.499 367 F HA 0.163 4.845 4.527 0.258 0.000 0.333 367 F C 0.305 176.287 175.800 0.304 0.000 1.138 367 F CA -0.796 57.370 58.000 0.276 0.000 0.945 367 F CB 1.249 40.395 39.000 0.244 0.000 1.181 367 F HN 0.643 nan 8.300 nan 0.000 0.435 368 H N 5.229 124.490 119.070 0.319 0.000 2.969 368 H HA 0.228 4.939 4.556 0.258 0.000 0.269 368 H C -0.641 174.743 175.328 0.094 0.000 1.223 368 H CA -0.892 55.253 56.048 0.162 0.000 1.400 368 H CB 0.667 30.531 29.762 0.170 0.000 1.500 368 H HN 0.428 nan 8.280 nan 0.000 0.486 369 L N 6.850 128.002 121.223 -0.117 0.000 2.505 369 L HA -0.052 4.442 4.340 0.258 0.000 0.279 369 L C 1.230 177.887 176.870 -0.355 0.000 1.211 369 L CA 0.260 54.966 54.840 -0.224 0.000 1.059 369 L CB -0.124 41.712 42.059 -0.372 0.000 1.340 369 L HN 0.738 nan 8.230 nan 0.000 0.447 370 D N 0.006 120.202 120.400 -0.340 0.000 2.348 370 D HA 0.040 4.834 4.640 0.258 0.000 0.211 370 D C 1.392 177.709 176.300 0.030 0.000 0.998 370 D CA 0.648 54.434 54.000 -0.356 0.000 0.873 370 D CB 0.162 40.735 40.800 -0.380 0.000 0.925 370 D HN 0.490 nan 8.370 nan 0.000 0.524 371 G N 0.548 109.446 108.800 0.163 0.000 2.160 371 G HA2 -0.299 3.816 3.960 0.258 0.000 0.251 371 G HA3 -0.299 3.816 3.960 0.258 0.000 0.251 371 G C 0.455 175.376 174.900 0.036 0.000 1.008 371 G CA 0.808 45.989 45.100 0.136 0.000 0.724 371 G HN 0.820 nan 8.290 nan 0.000 0.514 372 S N -0.913 114.799 115.700 0.021 0.000 2.646 372 S HA 0.500 5.125 4.470 0.258 0.000 0.273 372 S C 1.640 176.234 174.600 -0.009 0.000 1.168 372 S CA 0.510 58.714 58.200 0.008 0.000 1.013 372 S CB 0.911 64.120 63.200 0.014 0.000 1.098 372 S HN 0.686 nan 8.310 nan 0.000 0.544 373 Q N 0.122 119.916 119.800 -0.010 0.000 2.436 373 Q HA 0.086 4.580 4.340 0.258 0.000 0.209 373 Q C 0.809 176.787 176.000 -0.037 0.000 0.965 373 Q CA 0.520 56.309 55.803 -0.023 0.000 0.910 373 Q CB -0.655 28.074 28.738 -0.014 0.000 0.980 373 Q HN 0.476 nan 8.270 nan 0.000 0.491 374 S N 2.488 118.170 115.700 -0.029 0.000 2.572 374 S HA 0.135 4.759 4.470 0.258 0.000 0.279 374 S C -1.677 172.855 174.600 -0.113 0.000 1.341 374 S CA -1.172 57.004 58.200 -0.040 0.000 1.043 374 S CB 0.938 64.136 63.200 -0.003 0.000 0.887 374 S HN 0.059 nan 8.310 nan 0.000 0.516 375 P HA 0.135 nan 4.420 nan 0.000 0.220 375 P C -0.515 176.378 177.300 -0.679 0.000 1.152 375 P CA 0.829 63.666 63.100 -0.439 0.000 0.812 375 P CB 0.115 31.486 31.700 -0.549 0.000 0.792 376 F N 0.493 120.276 119.950 -0.278 0.000 2.508 376 F HA 0.428 5.109 4.527 0.257 0.000 0.325 376 F C -2.129 173.527 175.800 -0.241 0.000 1.090 376 F CA -2.990 54.733 58.000 -0.461 0.000 0.945 376 F CB 1.062 39.598 39.000 -0.773 0.000 1.156 376 F HN -0.266 nan 8.300 nan 0.000 0.463 377 P HA 0.054 nan 4.420 nan 0.000 0.275 377 P C -0.882 176.566 177.300 0.247 0.000 1.227 377 P CA -0.257 62.935 63.100 0.153 0.000 0.781 377 P CB 0.879 32.709 31.700 0.218 0.000 0.906 378 D N 3.898 124.411 120.400 0.187 0.000 2.434 378 D HA 0.105 4.899 4.640 0.258 0.000 0.252 378 D C -1.822 174.494 176.300 0.028 0.000 1.185 378 D CA -0.774 53.288 54.000 0.102 0.000 0.886 378 D CB 0.036 40.925 40.800 0.148 0.000 1.148 378 D HN 0.253 nan 8.370 nan 0.000 0.483 379 P HA 0.177 nan 4.420 nan 0.000 0.286 379 P C -1.337 175.658 177.300 -0.509 0.000 1.261 379 P CA -0.654 62.190 63.100 -0.426 0.000 0.821 379 P CB 1.119 32.490 31.700 -0.548 0.000 1.013 380 Q N 1.820 121.309 119.800 -0.519 0.000 2.305 380 Q HA 0.535 5.029 4.340 0.258 0.000 0.271 380 Q C -1.283 174.533 176.000 -0.306 0.000 1.046 380 Q CA -0.690 54.872 55.803 -0.401 0.000 0.798 380 Q CB 2.092 30.311 28.738 -0.864 0.000 1.286 380 Q HN 0.427 nan 8.270 nan 0.000 0.435 381 M N 3.618 123.110 119.600 -0.180 0.000 2.264 381 M HA 0.423 5.058 4.480 0.258 0.000 0.352 381 M C -1.803 174.228 176.300 -0.447 0.000 1.173 381 M CA -0.469 54.509 55.300 -0.537 0.000 1.075 381 M CB 0.700 33.133 32.600 -0.278 0.000 1.621 381 M HN 0.694 nan 8.290 nan 0.000 0.457 382 Y N 3.762 123.960 120.300 -0.169 0.000 2.350 382 Y HA 0.520 5.224 4.550 0.257 0.000 0.338 382 Y C -0.319 175.698 175.900 0.196 0.000 0.961 382 Y CA -1.040 57.131 58.100 0.119 0.000 1.100 382 Y CB 1.575 40.107 38.460 0.120 0.000 1.179 382 Y HN 0.482 nan 8.280 nan 0.000 0.454 383 V N -0.201 119.951 119.914 0.396 0.000 2.417 383 V HA 0.438 4.712 4.120 0.258 0.000 0.291 383 V C -0.081 176.152 176.094 0.231 0.000 1.024 383 V CA -1.250 61.220 62.300 0.284 0.000 0.861 383 V CB 1.091 32.979 31.823 0.108 0.000 0.985 383 V HN 0.969 nan 8.190 nan 0.000 0.436 384 C N 6.418 125.764 119.300 0.076 0.000 2.520 384 C HA 0.468 5.082 4.460 0.258 0.000 0.369 384 C C 1.586 176.486 174.990 -0.149 0.000 1.244 384 C CA 0.376 59.185 59.018 -0.349 0.000 1.677 384 C CB -0.662 26.890 27.740 -0.314 0.000 2.324 384 C HN 1.163 nan 8.230 nan 0.000 0.557 385 V N 3.806 123.646 119.914 -0.124 0.000 3.647 385 V HA 0.281 4.555 4.120 0.258 0.000 0.279 385 V C 0.592 176.665 176.094 -0.036 0.000 1.314 385 V CA -0.170 62.090 62.300 -0.067 0.000 1.125 385 V CB -1.339 30.453 31.823 -0.051 0.000 0.907 385 V HN 0.729 nan 8.190 nan 0.000 0.434 386 F N 2.787 122.632 119.950 -0.174 0.000 2.602 386 F HA 0.510 5.191 4.527 0.256 0.000 0.385 386 F C 1.448 177.206 175.800 -0.071 0.000 1.063 386 F CA 1.760 59.661 58.000 -0.165 0.000 1.233 386 F CB 0.461 39.287 39.000 -0.290 0.000 1.067 386 F HN 0.371 nan 8.300 nan 0.000 0.564 387 G N 4.671 113.356 108.800 -0.191 0.000 2.339 387 G HA2 -0.248 3.867 3.960 0.258 0.000 0.209 387 G HA3 -0.248 3.867 3.960 0.258 0.000 0.209 387 G C 0.165 175.019 174.900 -0.076 0.000 1.015 387 G CA -0.069 45.026 45.100 -0.007 0.000 0.635 387 G HN 0.557 nan 8.290 nan 0.000 0.499 388 M N 1.525 121.064 119.600 -0.103 0.000 2.250 388 M HA 0.286 4.921 4.480 0.258 0.000 0.344 388 M C 0.567 176.793 176.300 -0.124 0.000 1.150 388 M CA -0.485 54.752 55.300 -0.104 0.000 1.147 388 M CB 0.750 33.283 32.600 -0.112 0.000 1.498 388 M HN 0.251 nan 8.290 nan 0.000 0.461 389 N N 1.032 119.673 118.700 -0.098 0.000 2.411 389 N HA -0.029 4.865 4.740 0.258 0.000 0.265 389 N C 0.130 175.585 175.510 -0.091 0.000 1.266 389 N CA 0.118 53.117 53.050 -0.084 0.000 0.889 389 N CB 0.812 39.266 38.487 -0.056 0.000 1.069 389 N HN 0.630 nan 8.380 nan 0.000 0.476 390 S N 4.190 119.844 115.700 -0.076 0.000 2.368 390 S HA -0.114 4.511 4.470 0.258 0.000 0.224 390 S C 1.811 176.359 174.600 -0.087 0.000 1.029 390 S CA 0.587 58.755 58.200 -0.052 0.000 0.988 390 S CB -0.016 63.217 63.200 0.055 0.000 0.838 390 S HN 0.659 nan 8.310 nan 0.000 0.462 391 R N 1.735 122.217 120.500 -0.029 0.000 2.081 391 R HA -0.064 4.431 4.340 0.258 0.000 0.235 391 R C 2.296 178.523 176.300 -0.122 0.000 1.131 391 R CA 1.483 57.526 56.100 -0.096 0.000 0.960 391 R CB -0.226 30.041 30.300 -0.054 0.000 0.856 391 R HN 0.294 nan 8.270 nan 0.000 0.436 392 K N 0.461 120.804 120.400 -0.095 0.000 2.097 392 K HA -0.150 4.325 4.320 0.258 0.000 0.205 392 K C 2.176 178.690 176.600 -0.143 0.000 1.050 392 K CA 1.065 57.290 56.287 -0.104 0.000 0.938 392 K CB -0.117 32.333 32.500 -0.084 0.000 0.718 392 K HN 0.159 nan 8.250 nan 0.000 0.442 393 L N 0.948 122.072 121.223 -0.165 0.000 2.046 393 L HA -0.134 4.361 4.340 0.258 0.000 0.208 393 L C 1.945 178.675 176.870 -0.233 0.000 1.077 393 L CA 1.404 56.123 54.840 -0.202 0.000 0.747 393 L CB -0.286 41.661 42.059 -0.187 0.000 0.896 393 L HN -0.057 nan 8.230 nan 0.000 0.432 394 V N 0.126 119.878 119.914 -0.269 0.000 2.548 394 V HA -0.186 4.088 4.120 0.258 0.000 0.249 394 V C 3.006 178.998 176.094 -0.171 0.000 1.055 394 V CA 1.794 63.938 62.300 -0.260 0.000 1.065 394 V CB -1.303 30.261 31.823 -0.431 0.000 0.681 394 V HN 0.670 nan 8.190 nan 0.000 0.462 395 E N 0.774 120.881 120.200 -0.155 0.000 2.077 395 E HA -0.173 4.332 4.350 0.258 0.000 0.193 395 E C 2.342 178.856 176.600 -0.144 0.000 0.989 395 E CA 1.520 57.849 56.400 -0.118 0.000 0.800 395 E CB -1.302 28.340 29.700 -0.097 0.000 0.746 395 E HN 0.637 nan 8.360 nan 0.000 0.452 396 G N 0.194 108.890 108.800 -0.174 0.000 2.422 396 G HA2 -0.093 4.021 3.960 0.258 0.000 0.218 396 G HA3 -0.093 4.021 3.960 0.258 0.000 0.218 396 G C 1.839 176.587 174.900 -0.253 0.000 1.146 396 G CA 0.920 45.902 45.100 -0.197 0.000 0.769 396 G HN 0.435 nan 8.290 nan 0.000 0.547 397 L N 0.559 121.589 121.223 -0.321 0.000 2.093 397 L HA -0.068 4.426 4.340 0.258 0.000 0.208 397 L C 3.162 179.525 176.870 -0.845 0.000 1.085 397 L CA 1.413 55.955 54.840 -0.497 0.000 0.755 397 L CB -0.525 41.274 42.059 -0.434 0.000 0.904 397 L HN 0.170 nan 8.230 nan 0.000 0.435 398 T N -1.435 112.809 114.554 -0.517 0.000 2.788 398 T HA -0.182 4.322 4.350 0.258 0.000 0.268 398 T C 1.856 176.466 174.700 -0.151 0.000 1.044 398 T CA 1.834 63.768 62.100 -0.278 0.000 1.139 398 T CB -0.316 68.537 68.868 -0.024 0.000 0.867 398 T HN 0.343 nan 8.240 nan 0.000 0.454 399 T N 1.691 116.164 114.554 -0.135 0.000 2.720 399 T HA -0.076 4.429 4.350 0.258 0.000 0.268 399 T C 1.515 176.188 174.700 -0.046 0.000 1.037 399 T CA 1.036 63.093 62.100 -0.071 0.000 1.144 399 T CB -0.484 68.347 68.868 -0.062 0.000 0.864 399 T HN 0.380 nan 8.240 nan 0.000 0.444 400 F N 0.687 120.510 119.950 -0.213 0.000 2.206 400 F HA 0.017 4.698 4.527 0.257 0.000 0.298 400 F C 1.890 177.636 175.800 -0.090 0.000 1.090 400 F CA 0.678 58.594 58.000 -0.140 0.000 1.323 400 F CB -0.446 38.503 39.000 -0.086 0.000 1.028 400 F HN 0.288 nan 8.300 nan 0.000 0.492 401 Y N -0.166 120.098 120.300 -0.060 0.000 2.224 401 Y HA -0.204 4.500 4.550 0.258 0.000 0.289 401 Y C 2.581 178.342 175.900 -0.231 0.000 1.146 401 Y CA 0.799 58.819 58.100 -0.134 0.000 1.182 401 Y CB -0.415 38.140 38.460 0.157 0.000 0.983 401 Y HN -0.089 nan 8.280 nan 0.000 0.524 402 R N 0.146 120.643 120.500 -0.005 0.000 2.115 402 R HA -0.131 4.364 4.340 0.258 0.000 0.230 402 R C 2.334 178.528 176.300 -0.177 0.000 1.111 402 R CA 0.901 56.963 56.100 -0.062 0.000 0.976 402 R CB -0.298 29.982 30.300 -0.033 0.000 0.870 402 R HN 0.322 nan 8.270 nan 0.000 0.445 403 R N 1.193 121.527 120.500 -0.276 0.000 2.081 403 R HA -0.098 4.397 4.340 0.258 0.000 0.235 403 R C 1.895 177.934 176.300 -0.435 0.000 1.131 403 R CA 1.735 57.628 56.100 -0.346 0.000 0.960 403 R CB 0.014 30.079 30.300 -0.392 0.000 0.856 403 R HN 0.224 nan 8.270 nan 0.000 0.436 404 V N -2.666 116.844 119.914 -0.675 0.000 3.633 404 V HA 0.386 4.661 4.120 0.258 0.000 0.283 404 V C 0.839 176.607 176.094 -0.544 0.000 1.305 404 V CA 0.451 62.321 62.300 -0.718 0.000 1.153 404 V CB 0.022 31.124 31.823 -1.202 0.000 0.950 404 V HN 0.470 nan 8.190 nan 0.000 0.432 405 G N -0.731 107.870 108.800 -0.332 0.000 2.147 405 G HA2 -0.246 3.869 3.960 0.258 0.000 0.244 405 G HA3 -0.246 3.869 3.960 0.258 0.000 0.244 405 G C -0.374 174.583 174.900 0.094 0.000 1.005 405 G CA 0.127 45.170 45.100 -0.095 0.000 0.713 405 G HN 0.584 nan 8.290 nan 0.000 0.515 406 W N 1.316 122.592 121.300 -0.040 0.000 2.081 406 W HA 0.559 5.375 4.660 0.260 0.000 0.433 406 W C 0.918 177.417 176.519 -0.032 0.000 0.876 406 W CA -0.773 56.540 57.345 -0.053 0.000 1.631 406 W CB -0.463 28.934 29.460 -0.106 0.000 1.757 406 W HN 0.277 nan 8.180 nan 0.000 0.298 407 E N 1.259 121.560 120.200 0.168 0.000 2.017 407 E HA -0.212 4.293 4.350 0.258 0.000 0.193 407 E C 1.544 178.178 176.600 0.058 0.000 0.997 407 E CA 1.973 58.425 56.400 0.087 0.000 0.804 407 E CB -0.011 29.722 29.700 0.054 0.000 0.757 407 E HN 0.586 nan 8.360 nan 0.000 0.448 408 E N -0.808 119.430 120.200 0.063 0.000 2.085 408 E HA -0.209 4.296 4.350 0.258 0.000 0.194 408 E C 2.169 178.828 176.600 0.098 0.000 0.994 408 E CA 1.663 58.112 56.400 0.082 0.000 0.801 408 E CB -0.289 29.477 29.700 0.110 0.000 0.743 408 E HN 0.277 nan 8.360 nan 0.000 0.453 409 M N 0.748 120.389 119.600 0.068 0.000 2.132 409 M HA -0.064 4.571 4.480 0.258 0.000 0.263 409 M C 2.074 178.473 176.300 0.166 0.000 1.065 409 M CA 1.546 56.864 55.300 0.029 0.000 1.122 409 M CB -0.225 32.241 32.600 -0.222 0.000 1.365 409 M HN 0.064 nan 8.290 nan 0.000 0.411 410 A N -1.216 121.736 122.820 0.219 0.000 1.902 410 A HA -0.139 4.336 4.320 0.258 0.000 0.217 410 A C 2.233 179.909 177.584 0.155 0.000 1.181 410 A CA 2.257 54.474 52.037 0.300 0.000 0.623 410 A CB -1.066 18.060 19.000 0.209 0.000 0.818 410 A HN 0.571 nan 8.150 nan 0.000 0.443 411 S N -1.195 114.499 115.700 -0.011 0.000 2.387 411 S HA -0.088 4.537 4.470 0.258 0.000 0.226 411 S C 1.552 176.036 174.600 -0.194 0.000 1.026 411 S CA 1.527 59.605 58.200 -0.203 0.000 0.972 411 S CB -0.351 62.554 63.200 -0.492 0.000 0.814 411 S HN 0.855 nan 8.310 nan 0.000 0.477 412 H N -2.215 116.948 119.070 0.154 0.000 3.017 412 H HA 0.272 4.983 4.556 0.259 0.000 0.255 412 H C 1.487 176.926 175.328 0.185 0.000 0.990 412 H CA 0.003 56.138 56.048 0.145 0.000 1.205 412 H CB 0.113 29.931 29.762 0.094 0.000 1.460 412 H HN 0.300 nan 8.280 nan 0.000 0.478 413 Y N 2.238 122.677 120.300 0.232 0.000 2.181 413 Y HA -0.275 4.429 4.550 0.257 0.000 0.288 413 Y C 2.614 178.656 175.900 0.236 0.000 1.146 413 Y CA 1.937 60.174 58.100 0.227 0.000 1.164 413 Y CB 0.014 38.627 38.460 0.254 0.000 0.982 413 Y HN 0.146 nan 8.280 nan 0.000 0.515 414 Q N -0.050 119.862 119.800 0.186 0.000 2.030 414 Q HA -0.241 4.253 4.340 0.258 0.000 0.204 414 Q C 2.363 178.345 176.000 -0.029 0.000 0.986 414 Q CA 2.029 57.859 55.803 0.046 0.000 0.843 414 Q CB -0.477 28.297 28.738 0.060 0.000 0.904 414 Q HN 0.563 nan 8.270 nan 0.000 0.420 415 A N 0.713 123.544 122.820 0.018 0.000 1.972 415 A HA -0.209 4.266 4.320 0.258 0.000 0.219 415 A C 1.747 179.291 177.584 -0.066 0.000 1.169 415 A CA 1.652 53.654 52.037 -0.058 0.000 0.635 415 A CB -0.551 18.494 19.000 0.074 0.000 0.810 415 A HN 0.463 nan 8.150 nan 0.000 0.446 416 N N -1.168 117.560 118.700 0.046 0.000 2.207 416 N HA -0.069 4.825 4.740 0.258 0.000 0.182 416 N C 1.434 176.849 175.510 -0.158 0.000 1.020 416 N CA 1.251 54.303 53.050 0.003 0.000 0.858 416 N CB -0.583 37.886 38.487 -0.030 0.000 0.991 416 N HN 0.548 nan 8.380 nan 0.000 0.427 417 F N 1.930 121.618 119.950 -0.438 0.000 2.095 417 F HA -0.080 4.603 4.527 0.259 0.000 0.298 417 F C 2.013 177.700 175.800 -0.189 0.000 1.104 417 F CA 1.254 59.041 58.000 -0.355 0.000 1.232 417 F CB -0.240 38.521 39.000 -0.399 0.000 0.987 417 F HN -0.073 nan 8.300 nan 0.000 0.475 418 L N -0.116 121.091 121.223 -0.026 0.000 2.141 418 L HA -0.139 4.355 4.340 0.258 0.000 0.209 418 L C 2.754 179.572 176.870 -0.086 0.000 1.094 418 L CA 0.910 55.663 54.840 -0.145 0.000 0.763 418 L CB -1.208 40.591 42.059 -0.434 0.000 0.908 418 L HN 0.248 nan 8.230 nan 0.000 0.437 419 A N 0.226 122.937 122.820 -0.180 0.000 2.024 419 A HA -0.194 4.281 4.320 0.258 0.000 0.220 419 A C 1.917 179.357 177.584 -0.240 0.000 1.164 419 A CA 1.533 53.476 52.037 -0.157 0.000 0.643 419 A CB -0.518 18.431 19.000 -0.085 0.000 0.806 419 A HN 0.449 nan 8.150 nan 0.000 0.451 420 N N -1.082 117.317 118.700 -0.502 0.000 2.520 420 N HA -0.065 4.829 4.740 0.258 0.000 0.185 420 N C -0.677 174.309 175.510 -0.874 0.000 1.068 420 N CA 0.850 53.414 53.050 -0.810 0.000 0.911 420 N CB -0.164 37.597 38.487 -1.209 0.000 0.961 420 N HN 0.697 nan 8.380 nan 0.000 0.446 421 Y N -0.992 119.303 120.300 -0.009 0.000 2.584 421 Y HA 0.351 5.056 4.550 0.258 0.000 0.358 421 Y C -1.812 174.107 175.900 0.031 0.000 1.028 421 Y CA -1.864 56.251 58.100 0.025 0.000 1.148 421 Y CB 1.392 39.900 38.460 0.080 0.000 1.126 421 Y HN -0.078 nan 8.280 nan 0.000 0.658 422 P HA -0.124 nan 4.420 nan 0.000 0.213 422 P C 0.683 177.972 177.300 -0.019 0.000 1.170 422 P CA 2.080 65.198 63.100 0.030 0.000 0.898 422 P CB 0.142 31.834 31.700 -0.013 0.000 0.787 423 D N 0.377 120.753 120.400 -0.039 0.000 2.563 423 D HA 0.344 5.138 4.640 0.258 0.000 0.222 423 D C -0.165 176.061 176.300 -0.125 0.000 1.145 423 D CA -0.212 53.744 54.000 -0.073 0.000 1.001 423 D CB -0.599 40.172 40.800 -0.049 0.000 1.049 423 D HN 0.103 nan 8.370 nan 0.000 0.515 424 E N 0.194 120.236 120.200 -0.263 0.000 2.352 424 E HA 0.365 4.870 4.350 0.258 0.000 0.280 424 E C -2.073 174.163 176.600 -0.607 0.000 0.930 424 E CA -0.663 55.484 56.400 -0.421 0.000 0.765 424 E CB 2.097 31.477 29.700 -0.534 0.000 1.219 424 E HN 0.202 nan 8.360 nan 0.000 0.434 425 D N 3.281 123.440 120.400 -0.402 0.000 2.411 425 D HA 0.184 4.978 4.640 0.258 0.000 0.225 425 D C -0.050 176.083 176.300 -0.279 0.000 1.156 425 D CA -0.107 53.718 54.000 -0.292 0.000 0.874 425 D CB 0.228 40.946 40.800 -0.136 0.000 1.034 425 D HN 0.358 nan 8.370 nan 0.000 0.502 426 F N 1.680 121.619 119.950 -0.018 0.000 2.661 426 F HA 0.082 4.762 4.527 0.256 0.000 0.298 426 F C 2.202 177.982 175.800 -0.033 0.000 1.137 426 F CA 0.256 58.241 58.000 -0.025 0.000 1.454 426 F CB -0.259 38.744 39.000 0.005 0.000 1.103 426 F HN 0.490 nan 8.300 nan 0.000 0.577 427 E N 0.318 120.582 120.200 0.106 0.000 2.150 427 E HA -0.179 4.325 4.350 0.258 0.000 0.193 427 E C 2.181 178.791 176.600 0.017 0.000 0.985 427 E CA 1.145 57.576 56.400 0.052 0.000 0.814 427 E CB 0.214 29.930 29.700 0.027 0.000 0.752 427 E HN 0.134 nan 8.360 nan 0.000 0.466 428 K N -0.854 119.545 120.400 -0.003 0.000 2.425 428 K HA 0.394 4.869 4.320 0.258 0.000 0.201 428 K C -0.044 176.535 176.600 -0.036 0.000 1.128 428 K CA 0.429 56.703 56.287 -0.021 0.000 1.000 428 K CB 0.963 33.448 32.500 -0.025 0.000 0.961 428 K HN 0.256 nan 8.250 nan 0.000 0.555 429 A N 0.663 123.455 122.820 -0.047 0.000 2.444 429 A HA 0.616 5.090 4.320 0.258 0.000 0.273 429 A C 0.728 178.209 177.584 -0.172 0.000 1.136 429 A CA 0.484 52.448 52.037 -0.122 0.000 0.799 429 A CB 0.117 18.998 19.000 -0.198 0.000 1.081 429 A HN 0.620 nan 8.150 nan 0.000 0.509 430 A N 2.800 125.486 122.820 -0.223 0.000 2.610 430 A HA 0.348 4.822 4.320 0.258 0.000 0.291 430 A C 0.786 178.026 177.584 -0.573 0.000 1.116 430 A CA 0.282 52.138 52.037 -0.301 0.000 0.963 430 A CB -0.180 18.685 19.000 -0.224 0.000 1.220 430 A HN 1.050 nan 8.150 nan 0.000 0.530 431 H N -1.511 117.189 119.070 -0.616 0.000 3.058 431 H HA 0.312 5.022 4.556 0.257 0.000 0.266 431 H C 0.818 175.903 175.328 -0.406 0.000 1.135 431 H CA -0.005 55.521 56.048 -0.871 0.000 1.174 431 H CB -0.400 28.907 29.762 -0.760 0.000 1.581 431 H HN 0.364 nan 8.280 nan 0.000 0.553 432 L N 0.409 121.308 121.223 -0.539 0.000 2.240 432 L HA 0.092 4.586 4.340 0.258 0.000 0.211 432 L C 0.867 177.859 176.870 0.203 0.000 1.106 432 L CA 0.399 55.052 54.840 -0.311 0.000 0.793 432 L CB 0.225 42.054 42.059 -0.384 0.000 0.927 432 L HN 0.238 nan 8.230 nan 0.000 0.446 433 C N -0.382 119.046 119.300 0.213 0.000 2.396 433 C HA 0.713 5.327 4.460 0.258 0.000 0.321 433 C C 1.309 176.426 174.990 0.211 0.000 1.233 433 C CA -0.426 58.776 59.018 0.307 0.000 1.440 433 C CB 1.035 28.940 27.740 0.276 0.000 2.110 433 C HN 0.415 nan 8.230 nan 0.000 0.473 434 A N 4.107 127.133 122.820 0.344 0.000 1.909 434 A HA 0.391 4.865 4.320 0.258 0.000 0.209 434 A C -0.064 177.562 177.584 0.070 0.000 1.247 434 A CA 0.820 53.057 52.037 0.334 0.000 0.660 434 A CB -0.094 19.182 19.000 0.461 0.000 0.910 434 A HN 0.817 nan 8.150 nan 0.000 0.465 435 Y N -1.695 118.814 120.300 0.348 0.000 2.499 435 Y HA 0.571 5.276 4.550 0.257 0.000 0.347 435 Y C -0.563 175.623 175.900 0.477 0.000 0.987 435 Y CA -0.912 57.395 58.100 0.346 0.000 1.044 435 Y CB 2.357 40.953 38.460 0.228 0.000 1.245 435 Y HN -0.038 nan 8.280 nan 0.000 0.461 436 V N 1.978 122.225 119.914 0.556 0.000 2.656 436 V HA 0.586 4.861 4.120 0.258 0.000 0.307 436 V C -0.575 175.812 176.094 0.488 0.000 1.051 436 V CA -0.930 61.681 62.300 0.517 0.000 0.893 436 V CB 1.797 33.861 31.823 0.402 0.000 0.999 436 V HN 0.804 nan 8.190 nan 0.000 0.426 437 S N 3.818 119.758 115.700 0.401 0.000 2.593 437 S HA 0.856 5.481 4.470 0.258 0.000 0.297 437 S C -1.139 173.460 174.600 -0.002 0.000 1.112 437 S CA -0.527 57.727 58.200 0.090 0.000 1.043 437 S CB 1.870 65.083 63.200 0.022 0.000 1.054 437 S HN 0.693 nan 8.310 nan 0.000 0.516 438 F N 1.280 121.049 119.950 -0.303 0.000 2.557 438 F HA 0.755 5.437 4.527 0.258 0.000 0.316 438 F C -0.527 175.244 175.800 -0.048 0.000 1.141 438 F CA -0.195 57.590 58.000 -0.358 0.000 0.922 438 F CB 1.514 40.024 39.000 -0.816 0.000 1.194 438 F HN 1.104 nan 8.300 nan 0.000 0.443 439 A N 4.170 126.662 122.820 -0.546 0.000 2.566 439 A HA 0.655 5.129 4.320 0.258 0.000 0.292 439 A C -2.543 174.886 177.584 -0.259 0.000 1.112 439 A CA -0.596 51.340 52.037 -0.168 0.000 0.707 439 A CB 1.159 20.097 19.000 -0.103 0.000 1.302 439 A HN 0.734 nan 8.150 nan 0.000 0.409 440 Y N 1.133 121.424 120.300 -0.015 0.000 2.402 440 Y HA 0.538 5.243 4.550 0.258 0.000 0.332 440 Y C -0.229 175.691 175.900 0.033 0.000 0.960 440 Y CA -0.151 57.978 58.100 0.050 0.000 1.228 440 Y CB 0.955 39.579 38.460 0.273 0.000 1.120 440 Y HN 0.545 nan 8.280 nan 0.000 0.491 441 K N 4.576 124.852 120.400 -0.206 0.000 2.376 441 K HA 0.297 4.771 4.320 0.258 0.000 0.257 441 K C -0.454 176.030 176.600 -0.193 0.000 0.939 441 K CA -0.901 55.287 56.287 -0.165 0.000 0.809 441 K CB 1.410 33.799 32.500 -0.185 0.000 1.121 441 K HN 0.810 nan 8.250 nan 0.000 0.425 442 N N 1.441 120.068 118.700 -0.122 0.000 2.727 442 N HA -0.234 4.661 4.740 0.258 0.000 0.249 442 N C 0.267 175.694 175.510 -0.138 0.000 1.048 442 N CA 0.433 53.434 53.050 -0.083 0.000 0.714 442 N CB -0.920 37.543 38.487 -0.041 0.000 0.959 442 N HN 1.083 nan 8.380 nan 0.000 0.544 443 G N -1.588 107.054 108.800 -0.264 0.000 2.221 443 G HA2 0.004 4.119 3.960 0.258 0.000 0.265 443 G HA3 0.004 4.119 3.960 0.258 0.000 0.265 443 G C 0.303 174.961 174.900 -0.404 0.000 1.041 443 G CA 0.324 45.257 45.100 -0.278 0.000 0.807 443 G HN 1.001 nan 8.290 nan 0.000 0.502 444 G N -1.689 106.687 108.800 -0.708 0.000 2.720 444 G HA2 0.828 4.942 3.960 0.258 0.000 0.295 444 G HA3 0.828 4.942 3.960 0.258 0.000 0.295 444 G C -0.173 174.611 174.900 -0.193 0.000 1.437 444 G CA 0.203 45.138 45.100 -0.276 0.000 0.886 444 G HN 1.651 nan 8.290 nan 0.000 0.509 445 A N 0.155 123.063 122.820 0.147 0.000 2.462 445 A HA 0.545 5.020 4.320 0.258 0.000 0.243 445 A C -0.944 176.828 177.584 0.312 0.000 1.076 445 A CA 0.033 52.211 52.037 0.234 0.000 0.773 445 A CB 0.219 19.502 19.000 0.473 0.000 1.010 445 A HN 1.356 nan 8.150 nan 0.000 0.493 446 Y N 2.620 122.869 120.300 -0.085 0.000 2.363 446 Y HA 0.520 5.224 4.550 0.257 0.000 0.325 446 Y C -1.018 174.844 175.900 -0.062 0.000 0.984 446 Y CA -0.535 57.541 58.100 -0.039 0.000 1.248 446 Y CB 1.405 39.798 38.460 -0.112 0.000 1.116 446 Y HN 0.456 nan 8.280 nan 0.000 0.470 447 V N 5.142 124.996 119.914 -0.099 0.000 2.540 447 V HA 0.596 4.871 4.120 0.258 0.000 0.302 447 V C -0.540 175.481 176.094 -0.122 0.000 1.035 447 V CA -0.572 61.737 62.300 0.014 0.000 0.873 447 V CB 2.113 34.151 31.823 0.358 0.000 0.992 447 V HN 0.784 nan 8.190 nan 0.000 0.428 448 T N 5.743 120.278 114.554 -0.032 0.000 2.881 448 T HA 0.603 5.107 4.350 0.258 0.000 0.290 448 T C -0.666 174.026 174.700 -0.013 0.000 1.000 448 T CA -0.424 61.613 62.100 -0.104 0.000 0.978 448 T CB 1.246 70.020 68.868 -0.157 0.000 0.997 448 T HN 0.358 nan 8.240 nan 0.000 0.443 449 L N 3.346 124.548 121.223 -0.035 0.000 2.295 449 L HA 0.496 4.990 4.340 0.258 0.000 0.285 449 L C -0.993 175.890 176.870 0.023 0.000 1.035 449 L CA -0.974 53.951 54.840 0.143 0.000 0.806 449 L CB 0.855 43.084 42.059 0.282 0.000 1.214 449 L HN 0.694 nan 8.230 nan 0.000 0.426 450 Y N 2.387 122.903 120.300 0.360 0.000 2.491 450 Y HA 0.320 5.024 4.550 0.257 0.000 0.334 450 Y C 0.135 176.256 175.900 0.368 0.000 0.969 450 Y CA -0.704 57.605 58.100 0.347 0.000 1.241 450 Y CB 0.685 39.364 38.460 0.363 0.000 1.105 450 Y HN 0.522 nan 8.280 nan 0.000 0.503 451 N N 0.689 119.657 118.700 0.446 0.000 2.335 451 N HA 0.126 5.021 4.740 0.258 0.000 0.304 451 N C -0.821 174.932 175.510 0.405 0.000 1.135 451 N CA -1.076 52.245 53.050 0.453 0.000 0.817 451 N CB 0.679 39.456 38.487 0.484 0.000 1.294 451 N HN 0.587 nan 8.380 nan 0.000 0.497 452 H N 0.102 119.337 119.070 0.274 0.000 3.140 452 H HA 0.040 4.752 4.556 0.260 0.000 0.316 452 H C -0.142 175.394 175.328 0.348 0.000 0.986 452 H CA 1.019 57.218 56.048 0.252 0.000 1.397 452 H CB 0.369 30.191 29.762 0.101 0.000 1.377 452 H HN 0.336 nan 8.280 nan 0.000 0.585 453 S N 5.452 121.123 115.700 -0.049 0.000 2.835 453 S HA 0.182 4.807 4.470 0.258 0.000 0.248 453 S C -1.180 173.440 174.600 0.033 0.000 1.070 453 S CA -0.440 57.768 58.200 0.012 0.000 1.090 453 S CB -0.129 62.914 63.200 -0.262 0.000 0.978 453 S HN 0.492 nan 8.310 nan 0.000 0.510 454 F N 2.002 121.717 119.950 -0.392 0.000 2.588 454 F HA 0.497 5.176 4.527 0.254 0.000 0.318 454 F C -1.710 174.028 175.800 -0.103 0.000 1.155 454 F CA -0.566 57.315 58.000 -0.198 0.000 0.967 454 F CB 1.190 40.107 39.000 -0.138 0.000 1.236 454 F HN -0.058 nan 8.300 nan 0.000 0.455 455 N N 7.435 125.754 118.700 -0.634 0.000 2.442 455 N HA 0.393 5.287 4.740 0.258 0.000 0.274 455 N C -2.796 172.286 175.510 -0.713 0.000 1.002 455 N CA -1.276 51.497 53.050 -0.462 0.000 0.910 455 N CB 2.395 40.751 38.487 -0.219 0.000 1.244 455 N HN 0.285 nan 8.380 nan 0.000 0.492 456 P HA 0.000 nan 4.420 nan 0.000 0.216 456 P CA 0.000 62.923 63.100 -0.294 0.000 0.800 456 P CB 0.000 31.669 31.700 -0.052 0.000 0.726