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 3dr4_1_B DATA FIRST_RESID 6 DATA SEQUENCE RISVAAPRLD GNERDYVLEC MDTTWISSVG RFIVEFEKAF ADYCGVKHAI DATA SEQUENCE ACNNGTTALH LALVAMGIGP GDEVIVPSLT YIASANSVTY CGATPVLVDN DATA SEQUENCE DPRTFNLDAA KLEALITPRT KAIMPVHLYG QICDMDPILE VARRHNLLVI DATA SEQUENCE EDAAEAVGAT YRGKKSGSLG DCATFSFFGN AIITTGEGGM ITTNDDDLAA DATA SEQUENCE KMRLLRGQGM DPNRRYWFPI VGFNYRMTNI QAAIGLAQLE RVDEHLAARE DATA SEQUENCE RVVGWYEQKL ARLGNRVTKP HVALTGRHVF WMYTVRLGEG LSTTRDQVIK DATA SEQUENCE DLDALGIESR PVFHPMHIMP PYAHLATDDL KIAEACGVDG LNLPTHAGLT DATA SEQUENCE EADIDRVIAA LDQVLV 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.319 176.300 0.031 0.000 0.893 6 R CA 0.000 56.110 56.100 0.017 0.000 0.921 6 R CB 0.000 30.310 30.300 0.017 0.000 0.687 7 I N 1.902 122.495 120.570 0.039 0.000 2.330 7 I HA 0.253 4.426 4.170 0.004 0.000 0.289 7 I C 0.141 176.312 176.117 0.090 0.000 1.001 7 I CA -0.449 60.893 61.300 0.071 0.000 1.193 7 I CB 1.896 39.925 38.000 0.048 0.000 1.345 7 I HN 0.461 nan 8.210 nan 0.000 0.461 8 S N 4.253 120.030 115.700 0.129 0.000 2.562 8 S HA 0.130 4.603 4.470 0.004 0.000 0.275 8 S C 1.009 175.698 174.600 0.148 0.000 1.281 8 S CA -0.595 57.652 58.200 0.078 0.000 1.045 8 S CB 2.232 65.413 63.200 -0.032 0.000 0.962 8 S HN 0.524 nan 8.310 nan 0.000 0.503 9 V N 1.996 121.962 119.914 0.087 0.000 2.392 9 V HA 0.037 4.159 4.120 0.004 0.000 0.249 9 V C 0.697 176.873 176.094 0.137 0.000 1.059 9 V CA 2.211 64.566 62.300 0.092 0.000 1.051 9 V CB -0.300 31.538 31.823 0.026 0.000 0.658 9 V HN 0.943 nan 8.190 nan 0.000 0.455 10 A N -1.876 120.960 122.820 0.028 0.000 2.609 10 A HA 0.916 5.238 4.320 0.004 0.000 0.291 10 A C -0.905 176.498 177.584 -0.301 0.000 1.096 10 A CA -0.003 52.016 52.037 -0.031 0.000 0.684 10 A CB 1.802 20.869 19.000 0.111 0.000 1.282 10 A HN 1.281 nan 8.150 nan 0.000 0.412 11 A N 1.130 123.723 122.820 -0.378 0.000 2.582 11 A HA 0.802 5.124 4.320 0.004 0.000 0.297 11 A C -3.244 174.239 177.584 -0.168 0.000 1.059 11 A CA -0.970 50.865 52.037 -0.336 0.000 0.705 11 A CB 0.820 19.490 19.000 -0.550 0.000 1.279 11 A HN 0.710 nan 8.150 nan 0.000 0.404 12 P HA 0.472 nan 4.420 nan 0.000 0.272 12 P C -0.633 176.601 177.300 -0.109 0.000 1.240 12 P CA -0.237 62.795 63.100 -0.112 0.000 0.791 12 P CB 0.662 32.289 31.700 -0.121 0.000 0.978 13 R N 1.423 121.825 120.500 -0.165 0.000 2.472 13 R HA 0.381 4.724 4.340 0.004 0.000 0.294 13 R C -0.742 175.494 176.300 -0.106 0.000 1.243 13 R CA -0.327 55.701 56.100 -0.121 0.000 1.023 13 R CB -0.243 29.977 30.300 -0.133 0.000 1.157 13 R HN 0.371 nan 8.270 nan 0.000 0.530 14 L N 5.281 126.472 121.223 -0.053 0.000 2.449 14 L HA 0.275 4.618 4.340 0.004 0.000 0.255 14 L C -0.016 176.850 176.870 -0.007 0.000 1.167 14 L CA -0.279 54.536 54.840 -0.041 0.000 1.090 14 L CB 0.478 42.500 42.059 -0.061 0.000 1.385 14 L HN 0.640 nan 8.230 nan 0.000 0.411 15 D N -0.035 120.397 120.400 0.052 0.000 2.788 15 D HA 0.248 4.891 4.640 0.004 0.000 0.289 15 D C 0.486 176.795 176.300 0.014 0.000 1.340 15 D CA -0.240 53.787 54.000 0.045 0.000 0.831 15 D CB 0.929 41.783 40.800 0.091 0.000 1.103 15 D HN 0.353 nan 8.370 nan 0.000 0.476 16 G N 0.024 108.808 108.800 -0.028 0.000 3.259 16 G HA2 0.112 4.075 3.960 0.004 0.000 0.178 16 G HA3 0.112 4.075 3.960 0.004 0.000 0.178 16 G C 0.462 175.249 174.900 -0.188 0.000 1.129 16 G CA -0.578 44.466 45.100 -0.093 0.000 0.816 16 G HN 0.048 nan 8.290 nan 0.000 0.634 17 N N 0.489 118.985 118.700 -0.340 0.000 2.449 17 N HA 0.040 4.783 4.740 0.004 0.000 0.191 17 N C 1.571 176.737 175.510 -0.574 0.000 1.161 17 N CA 0.301 52.971 53.050 -0.633 0.000 0.863 17 N CB 0.487 38.139 38.487 -1.391 0.000 0.980 17 N HN 0.464 nan 8.380 nan 0.000 0.458 18 E N 1.082 121.098 120.200 -0.307 0.000 2.048 18 E HA -0.196 4.156 4.350 0.004 0.000 0.202 18 E C 1.959 178.467 176.600 -0.153 0.000 1.021 18 E CA 1.228 57.508 56.400 -0.200 0.000 0.825 18 E CB -0.098 29.520 29.700 -0.137 0.000 0.756 18 E HN 0.276 nan 8.360 nan 0.000 0.454 19 R N 0.449 120.873 120.500 -0.127 0.000 2.083 19 R HA -0.179 4.164 4.340 0.004 0.000 0.237 19 R C 1.590 177.856 176.300 -0.056 0.000 1.137 19 R CA 1.893 57.945 56.100 -0.079 0.000 0.951 19 R CB -0.088 30.174 30.300 -0.064 0.000 0.851 19 R HN 0.174 nan 8.270 nan 0.000 0.434 20 D N -0.730 119.619 120.400 -0.085 0.000 2.117 20 D HA -0.165 4.477 4.640 0.004 0.000 0.198 20 D C 1.777 178.147 176.300 0.115 0.000 0.982 20 D CA 1.090 55.084 54.000 -0.009 0.000 0.828 20 D CB -0.258 40.523 40.800 -0.032 0.000 0.967 20 D HN 0.260 nan 8.370 nan 0.000 0.464 21 Y N 1.102 121.363 120.300 -0.065 0.000 2.224 21 Y HA -0.117 4.435 4.550 0.003 0.000 0.289 21 Y C 2.603 178.366 175.900 -0.229 0.000 1.146 21 Y CA -0.103 57.907 58.100 -0.149 0.000 1.182 21 Y CB -0.997 37.234 38.460 -0.381 0.000 0.983 21 Y HN -0.155 nan 8.280 nan 0.000 0.524 22 V N -0.096 119.796 119.914 -0.037 0.000 2.343 22 V HA -0.284 3.838 4.120 0.004 0.000 0.247 22 V C 2.483 178.585 176.094 0.014 0.000 1.051 22 V CA 1.415 63.681 62.300 -0.057 0.000 1.036 22 V CB -0.807 30.976 31.823 -0.067 0.000 0.654 22 V HN 0.331 nan 8.190 nan 0.000 0.451 23 L N 0.061 121.306 121.223 0.036 0.000 2.131 23 L HA -0.213 4.130 4.340 0.004 0.000 0.210 23 L C 2.628 179.555 176.870 0.095 0.000 1.092 23 L CA 2.020 56.892 54.840 0.052 0.000 0.759 23 L CB -0.473 41.614 42.059 0.047 0.000 0.903 23 L HN 0.522 nan 8.230 nan 0.000 0.435 24 E N -0.340 119.951 120.200 0.152 0.000 2.077 24 E HA -0.239 4.114 4.350 0.004 0.000 0.193 24 E C 2.318 179.053 176.600 0.224 0.000 0.989 24 E CA 1.802 58.329 56.400 0.211 0.000 0.800 24 E CB -0.174 29.728 29.700 0.337 0.000 0.746 24 E HN 0.475 nan 8.360 nan 0.000 0.452 25 C N 0.873 120.304 119.300 0.218 0.000 2.413 25 C HA -0.141 4.321 4.460 0.004 0.000 0.277 25 C C 2.686 177.757 174.990 0.134 0.000 1.228 25 C CA 0.985 60.136 59.018 0.223 0.000 1.731 25 C CB -0.747 27.077 27.740 0.139 0.000 2.042 25 C HN 0.583 nan 8.230 nan 0.000 0.468 26 M N 0.870 120.517 119.600 0.078 0.000 2.086 26 M HA -0.112 4.371 4.480 0.004 0.000 0.261 26 M C 1.717 178.030 176.300 0.022 0.000 1.067 26 M CA 1.748 57.069 55.300 0.035 0.000 1.116 26 M CB -1.700 30.914 32.600 0.023 0.000 1.348 26 M HN 0.364 nan 8.290 nan 0.000 0.407 27 D N 0.347 120.775 120.400 0.046 0.000 2.144 27 D HA -0.108 4.534 4.640 0.004 0.000 0.199 27 D C 2.017 178.331 176.300 0.023 0.000 0.984 27 D CA 2.088 56.109 54.000 0.035 0.000 0.834 27 D CB -0.433 40.398 40.800 0.053 0.000 0.955 27 D HN 0.496 nan 8.370 nan 0.000 0.465 28 T N -2.502 112.088 114.554 0.059 0.000 3.088 28 T HA -0.025 4.327 4.350 0.004 0.000 0.259 28 T C 1.274 175.867 174.700 -0.178 0.000 1.122 28 T CA 1.416 63.550 62.100 0.057 0.000 1.095 28 T CB -0.263 68.771 68.868 0.277 0.000 0.930 28 T HN 0.215 nan 8.240 nan 0.000 0.508 29 T N -3.150 111.301 114.554 -0.172 0.000 5.888 29 T HA -0.202 4.151 4.350 0.004 0.000 0.275 29 T C -0.204 174.234 174.700 -0.436 0.000 2.123 29 T CA 0.756 62.671 62.100 -0.309 0.000 3.523 29 T CB -2.893 65.729 68.868 -0.410 0.000 1.240 29 T HN 0.736 nan 8.240 nan 0.000 1.133 30 W N 2.042 123.380 121.300 0.062 0.000 2.247 30 W HA 0.630 5.291 4.660 0.003 0.000 0.394 30 W C 1.696 178.265 176.519 0.084 0.000 0.939 30 W CA -0.767 56.621 57.345 0.071 0.000 1.548 30 W CB -0.011 29.494 29.460 0.074 0.000 1.610 30 W HN 0.574 nan 8.180 nan 0.000 0.336 31 I N -0.610 120.092 120.570 0.220 0.000 4.139 31 I HA 0.206 4.378 4.170 0.004 0.000 0.335 31 I C 1.214 177.425 176.117 0.157 0.000 1.327 31 I CA -0.195 61.197 61.300 0.153 0.000 1.112 31 I CB -0.180 37.863 38.000 0.071 0.000 1.058 31 I HN 0.096 nan 8.210 nan 0.000 0.396 32 S N 1.356 117.178 115.700 0.204 0.000 2.566 32 S HA 0.266 4.739 4.470 0.004 0.000 0.277 32 S C 1.205 175.916 174.600 0.186 0.000 1.150 32 S CA 0.157 58.464 58.200 0.177 0.000 1.032 32 S CB 0.634 63.946 63.200 0.187 0.000 1.157 32 S HN 0.368 nan 8.310 nan 0.000 0.507 33 S N -0.820 114.978 115.700 0.164 0.000 2.720 33 S HA 0.215 4.687 4.470 0.004 0.000 0.222 33 S C 0.093 174.773 174.600 0.134 0.000 0.958 33 S CA -0.488 57.800 58.200 0.148 0.000 0.943 33 S CB -0.845 62.437 63.200 0.138 0.000 0.779 33 S HN 0.508 nan 8.310 nan 0.000 0.526 34 V N 1.533 121.541 119.914 0.157 0.000 2.370 34 V HA 0.822 4.945 4.120 0.004 0.000 0.283 34 V C 0.518 176.647 176.094 0.059 0.000 1.023 34 V CA 0.243 62.593 62.300 0.082 0.000 0.857 34 V CB 0.719 32.623 31.823 0.135 0.000 0.985 34 V HN 0.632 nan 8.190 nan 0.000 0.443 35 G N 4.317 113.076 108.800 -0.069 0.000 2.358 35 G HA2 0.261 4.224 3.960 0.004 0.000 0.301 35 G HA3 0.261 4.224 3.960 0.004 0.000 0.301 35 G C 0.016 174.855 174.900 -0.102 0.000 1.539 35 G CA -0.219 44.826 45.100 -0.091 0.000 0.893 35 G HN 0.761 nan 8.290 nan 0.000 0.636 36 R N -0.465 119.911 120.500 -0.206 0.000 2.096 36 R HA 0.051 4.393 4.340 0.004 0.000 0.235 36 R C 1.630 177.796 176.300 -0.223 0.000 1.127 36 R CA 2.064 58.001 56.100 -0.273 0.000 0.968 36 R CB -0.421 29.622 30.300 -0.428 0.000 0.861 36 R HN 0.356 nan 8.270 nan 0.000 0.440 37 F N 1.486 121.402 119.950 -0.058 0.000 2.216 37 F HA -0.046 4.482 4.527 0.002 0.000 0.300 37 F C 2.088 177.916 175.800 0.047 0.000 1.085 37 F CA 1.026 58.996 58.000 -0.050 0.000 1.326 37 F CB -0.265 38.687 39.000 -0.081 0.000 1.027 37 F HN -0.059 nan 8.300 nan 0.000 0.497 38 I N -0.134 120.570 120.570 0.222 0.000 2.113 38 I HA -0.276 3.896 4.170 0.004 0.000 0.238 38 I C 2.425 178.645 176.117 0.171 0.000 1.070 38 I CA 1.680 63.106 61.300 0.211 0.000 1.332 38 I CB -0.898 37.197 38.000 0.157 0.000 1.044 38 I HN 0.054 nan 8.210 nan 0.000 0.402 39 V N -1.793 118.175 119.914 0.090 0.000 2.626 39 V HA -0.181 3.942 4.120 0.004 0.000 0.252 39 V C 2.130 178.272 176.094 0.080 0.000 1.067 39 V CA 1.554 63.894 62.300 0.066 0.000 1.081 39 V CB -0.856 30.980 31.823 0.021 0.000 0.686 39 V HN 0.419 nan 8.190 nan 0.000 0.468 40 E N -0.247 120.002 120.200 0.082 0.000 2.046 40 E HA -0.113 4.239 4.350 0.004 0.000 0.190 40 E C 1.935 178.664 176.600 0.216 0.000 0.982 40 E CA 1.330 57.786 56.400 0.094 0.000 0.800 40 E CB -0.225 29.486 29.700 0.019 0.000 0.756 40 E HN 0.616 nan 8.360 nan 0.000 0.449 41 F N 2.354 122.348 119.950 0.073 0.000 2.126 41 F HA -0.167 4.363 4.527 0.005 0.000 0.299 41 F C 1.765 177.633 175.800 0.114 0.000 1.096 41 F CA 1.589 59.633 58.000 0.073 0.000 1.255 41 F CB -0.375 38.644 39.000 0.031 0.000 0.997 41 F HN 0.007 nan 8.300 nan 0.000 0.479 42 E N 0.125 120.360 120.200 0.057 0.000 2.038 42 E HA -0.302 4.050 4.350 0.004 0.000 0.195 42 E C 2.242 178.881 176.600 0.064 0.000 1.000 42 E CA 1.781 58.166 56.400 -0.026 0.000 0.803 42 E CB -0.303 29.417 29.700 0.032 0.000 0.750 42 E HN 0.328 nan 8.360 nan 0.000 0.448 43 K N 0.633 121.081 120.400 0.080 0.000 2.032 43 K HA -0.186 4.136 4.320 0.004 0.000 0.209 43 K C 2.075 178.725 176.600 0.083 0.000 1.048 43 K CA 1.468 57.796 56.287 0.069 0.000 0.927 43 K CB -0.174 32.360 32.500 0.056 0.000 0.712 43 K HN 0.115 nan 8.250 nan 0.000 0.441 44 A N 0.006 122.900 122.820 0.123 0.000 1.972 44 A HA -0.132 4.190 4.320 0.004 0.000 0.219 44 A C 2.017 179.681 177.584 0.134 0.000 1.169 44 A CA 1.224 53.342 52.037 0.135 0.000 0.635 44 A CB -0.725 18.385 19.000 0.185 0.000 0.810 44 A HN 0.495 nan 8.150 nan 0.000 0.446 45 F N 0.685 120.610 119.950 -0.040 0.000 2.163 45 F HA 0.031 4.560 4.527 0.003 0.000 0.297 45 F C 2.531 178.325 175.800 -0.009 0.000 1.094 45 F CA 0.893 58.836 58.000 -0.095 0.000 1.290 45 F CB -0.345 38.429 39.000 -0.378 0.000 1.017 45 F HN 0.248 nan 8.300 nan 0.000 0.483 46 A N -0.055 122.811 122.820 0.077 0.000 1.902 46 A HA -0.194 4.128 4.320 0.004 0.000 0.217 46 A C 2.037 179.595 177.584 -0.042 0.000 1.181 46 A CA 2.001 54.052 52.037 0.023 0.000 0.623 46 A CB -0.999 18.031 19.000 0.050 0.000 0.818 46 A HN 0.386 nan 8.150 nan 0.000 0.443 47 D N -1.496 118.899 120.400 -0.009 0.000 2.092 47 D HA -0.185 4.457 4.640 0.004 0.000 0.193 47 D C 1.703 177.988 176.300 -0.025 0.000 0.994 47 D CA 1.701 55.696 54.000 -0.008 0.000 0.828 47 D CB -0.564 40.255 40.800 0.031 0.000 0.963 47 D HN 0.569 nan 8.370 nan 0.000 0.450 48 Y N 0.922 121.114 120.300 -0.180 0.000 2.256 48 Y HA -0.240 4.312 4.550 0.005 0.000 0.288 48 Y C 2.219 177.965 175.900 -0.257 0.000 1.155 48 Y CA 0.965 58.932 58.100 -0.221 0.000 1.203 48 Y CB -0.243 38.034 38.460 -0.305 0.000 0.980 48 Y HN 0.017 nan 8.280 nan 0.000 0.530 49 C N -0.276 118.820 119.300 -0.341 0.000 2.594 49 C HA 0.353 4.816 4.460 0.004 0.000 0.265 49 C C 1.709 176.585 174.990 -0.191 0.000 1.351 49 C CA 0.794 59.614 59.018 -0.331 0.000 1.744 49 C CB -1.094 26.495 27.740 -0.251 0.000 1.890 49 C HN 0.858 nan 8.230 nan 0.000 0.551 50 G N 1.317 110.028 108.800 -0.149 0.000 2.256 50 G HA2 -0.117 3.845 3.960 0.004 0.000 0.272 50 G HA3 -0.117 3.845 3.960 0.004 0.000 0.272 50 G C -0.120 174.748 174.900 -0.052 0.000 1.076 50 G CA 0.515 45.561 45.100 -0.090 0.000 0.882 50 G HN 1.021 nan 8.290 nan 0.000 0.497 51 V N -4.333 115.556 119.914 -0.042 0.000 3.113 51 V HA 0.789 4.911 4.120 0.004 0.000 0.316 51 V C 1.264 177.325 176.094 -0.056 0.000 1.125 51 V CA -0.388 61.904 62.300 -0.013 0.000 1.026 51 V CB 1.605 33.456 31.823 0.047 0.000 1.080 51 V HN 0.091 nan 8.190 nan 0.000 0.444 52 K N -0.565 119.770 120.400 -0.108 0.000 2.103 52 K HA 0.179 4.502 4.320 0.004 0.000 0.204 52 K C 0.268 176.561 176.600 -0.512 0.000 1.052 52 K CA 1.149 57.217 56.287 -0.365 0.000 0.945 52 K CB -0.107 32.062 32.500 -0.551 0.000 0.722 52 K HN 0.783 nan 8.250 nan 0.000 0.443 53 H N -1.504 117.600 119.070 0.056 0.000 2.895 53 H HA 0.594 5.152 4.556 0.004 0.000 0.373 53 H C -1.289 174.096 175.328 0.095 0.000 1.174 53 H CA -1.044 55.043 56.048 0.065 0.000 1.144 53 H CB 2.176 31.974 29.762 0.059 0.000 1.793 53 H HN 0.034 nan 8.280 nan 0.000 0.551 54 A N 2.361 125.316 122.820 0.225 0.000 2.427 54 A HA 0.587 4.910 4.320 0.004 0.000 0.298 54 A C -1.155 176.502 177.584 0.121 0.000 1.036 54 A CA -0.568 51.583 52.037 0.190 0.000 0.701 54 A CB 0.831 19.957 19.000 0.211 0.000 1.250 54 A HN 0.454 nan 8.150 nan 0.000 0.412 55 I N 2.193 122.822 120.570 0.098 0.000 2.382 55 I HA 0.519 4.692 4.170 0.004 0.000 0.285 55 I C 0.674 176.822 176.117 0.051 0.000 1.007 55 I CA -0.048 61.297 61.300 0.076 0.000 1.142 55 I CB 1.801 39.850 38.000 0.081 0.000 1.289 55 I HN 0.723 nan 8.210 nan 0.000 0.453 56 A N 5.499 128.349 122.820 0.050 0.000 2.409 56 A HA 0.618 4.941 4.320 0.004 0.000 0.262 56 A C -0.177 177.474 177.584 0.113 0.000 1.113 56 A CA -0.136 51.945 52.037 0.074 0.000 0.790 56 A CB 0.102 19.173 19.000 0.119 0.000 1.046 56 A HN 0.807 nan 8.150 nan 0.000 0.496 57 C N 0.611 119.978 119.300 0.110 0.000 2.973 57 C HA 0.390 4.852 4.460 0.004 0.000 0.329 57 C C 1.968 177.022 174.990 0.108 0.000 1.327 57 C CA -0.294 58.782 59.018 0.097 0.000 1.632 57 C CB 1.609 29.357 27.740 0.013 0.000 2.098 57 C HN 1.055 nan 8.230 nan 0.000 0.469 58 N N 0.839 119.589 118.700 0.083 0.000 2.381 58 N HA -0.098 4.645 4.740 0.004 0.000 0.182 58 N C -0.047 175.495 175.510 0.054 0.000 1.025 58 N CA 1.001 54.103 53.050 0.086 0.000 0.888 58 N CB -0.177 38.377 38.487 0.112 0.000 0.965 58 N HN 0.887 nan 8.380 nan 0.000 0.438 59 N N -3.176 115.511 118.700 -0.022 0.000 3.227 59 N HA 0.214 4.956 4.740 0.004 0.000 0.241 59 N C 0.340 175.778 175.510 -0.120 0.000 1.480 59 N CA -0.486 52.540 53.050 -0.040 0.000 0.886 59 N CB 0.649 39.121 38.487 -0.025 0.000 1.406 59 N HN -0.126 nan 8.380 nan 0.000 0.514 60 G N -0.947 107.770 108.800 -0.138 0.000 2.422 60 G HA2 -0.153 3.810 3.960 0.004 0.000 0.218 60 G HA3 -0.153 3.810 3.960 0.004 0.000 0.218 60 G C 0.770 175.578 174.900 -0.153 0.000 1.140 60 G CA 1.480 46.469 45.100 -0.185 0.000 0.775 60 G HN 0.596 nan 8.290 nan 0.000 0.545 61 T N 1.174 115.659 114.554 -0.115 0.000 2.737 61 T HA -0.151 4.201 4.350 0.004 0.000 0.265 61 T C 2.847 177.472 174.700 -0.124 0.000 1.038 61 T CA 2.150 64.205 62.100 -0.074 0.000 1.144 61 T CB -0.618 68.247 68.868 -0.005 0.000 0.866 61 T HN 0.560 nan 8.240 nan 0.000 0.434 62 T N 0.869 115.251 114.554 -0.287 0.000 2.867 62 T HA 0.106 4.458 4.350 0.004 0.000 0.268 62 T C 2.236 176.685 174.700 -0.419 0.000 1.057 62 T CA 1.027 62.731 62.100 -0.659 0.000 1.136 62 T CB -0.508 67.596 68.868 -1.273 0.000 0.874 62 T HN 0.312 nan 8.240 nan 0.000 0.466 63 A N 1.806 124.483 122.820 -0.238 0.000 1.877 63 A HA 0.123 4.445 4.320 0.004 0.000 0.216 63 A C 2.442 179.968 177.584 -0.095 0.000 1.186 63 A CA 1.450 53.409 52.037 -0.131 0.000 0.620 63 A CB -1.011 17.916 19.000 -0.122 0.000 0.822 63 A HN 0.527 nan 8.150 nan 0.000 0.443 64 L N -1.547 119.615 121.223 -0.102 0.000 2.012 64 L HA -0.245 4.097 4.340 0.004 0.000 0.210 64 L C 2.710 179.582 176.870 0.004 0.000 1.073 64 L CA 1.946 56.743 54.840 -0.072 0.000 0.748 64 L CB -0.675 41.325 42.059 -0.099 0.000 0.891 64 L HN 0.667 nan 8.230 nan 0.000 0.431 65 H N -0.306 118.717 119.070 -0.079 0.000 2.293 65 H HA -0.232 4.326 4.556 0.004 0.000 0.300 65 H C 2.286 177.613 175.328 -0.001 0.000 1.082 65 H CA 1.837 57.882 56.048 -0.006 0.000 1.308 65 H CB 0.173 29.958 29.762 0.039 0.000 1.375 65 H HN 0.187 nan 8.280 nan 0.000 0.495 66 L N 1.291 122.443 121.223 -0.117 0.000 2.079 66 L HA -0.132 4.210 4.340 0.004 0.000 0.210 66 L C 2.621 179.495 176.870 0.006 0.000 1.081 66 L CA 1.969 56.784 54.840 -0.042 0.000 0.752 66 L CB -1.012 41.111 42.059 0.106 0.000 0.896 66 L HN 0.371 nan 8.230 nan 0.000 0.433 67 A N -0.482 122.337 122.820 -0.001 0.000 1.877 67 A HA -0.168 4.154 4.320 0.004 0.000 0.216 67 A C 2.251 179.839 177.584 0.007 0.000 1.186 67 A CA 2.001 54.041 52.037 0.005 0.000 0.620 67 A CB -0.927 18.064 19.000 -0.015 0.000 0.822 67 A HN 0.497 nan 8.150 nan 0.000 0.443 68 L N -0.522 120.706 121.223 0.008 0.000 2.012 68 L HA -0.190 4.153 4.340 0.004 0.000 0.210 68 L C 2.551 179.446 176.870 0.042 0.000 1.073 68 L CA 1.323 56.178 54.840 0.025 0.000 0.748 68 L CB -0.716 41.372 42.059 0.048 0.000 0.891 68 L HN 0.249 nan 8.230 nan 0.000 0.431 69 V N 0.121 120.059 119.914 0.040 0.000 2.343 69 V HA -0.296 3.826 4.120 0.004 0.000 0.247 69 V C 2.759 178.889 176.094 0.061 0.000 1.051 69 V CA 1.830 64.172 62.300 0.069 0.000 1.036 69 V CB -0.940 30.938 31.823 0.090 0.000 0.654 69 V HN 0.496 nan 8.190 nan 0.000 0.451 70 A N -0.724 122.128 122.820 0.053 0.000 1.972 70 A HA -0.203 4.120 4.320 0.004 0.000 0.219 70 A C 2.165 179.765 177.584 0.027 0.000 1.169 70 A CA 1.955 54.017 52.037 0.041 0.000 0.635 70 A CB -0.511 18.512 19.000 0.038 0.000 0.810 70 A HN 0.529 nan 8.150 nan 0.000 0.446 71 M N -1.473 118.141 119.600 0.023 0.000 2.619 71 M HA 0.096 4.578 4.480 0.004 0.000 0.251 71 M C 1.378 177.689 176.300 0.019 0.000 1.106 71 M CA 0.889 56.198 55.300 0.016 0.000 1.086 71 M CB -0.008 32.597 32.600 0.008 0.000 1.465 71 M HN 0.663 nan 8.290 nan 0.000 0.506 72 G N 1.283 110.099 108.800 0.028 0.000 2.132 72 G HA2 -0.185 3.777 3.960 0.004 0.000 0.234 72 G HA3 -0.185 3.777 3.960 0.004 0.000 0.234 72 G C -0.023 174.896 174.900 0.033 0.000 0.989 72 G CA -0.545 44.573 45.100 0.029 0.000 0.676 72 G HN 0.327 nan 8.290 nan 0.000 0.522 73 I N 1.212 121.805 120.570 0.037 0.000 2.556 73 I HA 0.550 4.723 4.170 0.004 0.000 0.284 73 I C 1.175 177.327 176.117 0.058 0.000 1.114 73 I CA 0.875 62.197 61.300 0.037 0.000 1.418 73 I CB 0.322 38.342 38.000 0.033 0.000 1.394 73 I HN 0.386 nan 8.210 nan 0.000 0.552 74 G N 7.154 115.983 108.800 0.048 0.000 2.731 74 G HA2 0.535 4.498 3.960 0.004 0.000 0.309 74 G HA3 0.535 4.498 3.960 0.004 0.000 0.309 74 G C -3.195 171.733 174.900 0.047 0.000 1.273 74 G CA -0.841 44.295 45.100 0.060 0.000 0.798 74 G HN 0.270 nan 8.290 nan 0.000 0.509 75 P HA 0.271 nan 4.420 nan 0.000 0.262 75 P C 0.943 178.259 177.300 0.027 0.000 1.182 75 P CA 2.111 65.234 63.100 0.037 0.000 0.761 75 P CB 0.924 32.645 31.700 0.035 0.000 0.795 76 G N 1.993 110.807 108.800 0.023 0.000 2.268 76 G HA2 -0.184 3.779 3.960 0.004 0.000 0.240 76 G HA3 -0.184 3.779 3.960 0.004 0.000 0.240 76 G C 0.005 174.911 174.900 0.011 0.000 1.010 76 G CA -0.245 44.865 45.100 0.016 0.000 0.618 76 G HN 0.507 nan 8.290 nan 0.000 0.516 77 D N 1.250 121.657 120.400 0.012 0.000 2.313 77 D HA 0.539 5.182 4.640 0.004 0.000 0.247 77 D C 0.398 176.694 176.300 -0.007 0.000 1.094 77 D CA 0.112 54.114 54.000 0.003 0.000 0.925 77 D CB 1.016 41.820 40.800 0.006 0.000 1.188 77 D HN 0.508 nan 8.370 nan 0.000 0.430 78 E N 0.017 120.205 120.200 -0.019 0.000 2.183 78 E HA 0.505 4.858 4.350 0.004 0.000 0.271 78 E C -1.019 175.551 176.600 -0.050 0.000 0.919 78 E CA -0.844 55.535 56.400 -0.036 0.000 0.781 78 E CB 2.195 31.870 29.700 -0.041 0.000 1.140 78 E HN 0.030 nan 8.360 nan 0.000 0.402 79 V N 4.356 124.228 119.914 -0.069 0.000 2.483 79 V HA 0.331 4.453 4.120 0.004 0.000 0.297 79 V C -0.254 175.774 176.094 -0.109 0.000 1.027 79 V CA -0.691 61.559 62.300 -0.084 0.000 0.855 79 V CB 1.497 33.267 31.823 -0.089 0.000 0.995 79 V HN 0.624 nan 8.190 nan 0.000 0.424 80 I N 5.180 125.685 120.570 -0.108 0.000 2.416 80 I HA 0.393 4.566 4.170 0.004 0.000 0.288 80 I C -0.411 175.623 176.117 -0.138 0.000 1.051 80 I CA 0.074 61.302 61.300 -0.120 0.000 1.375 80 I CB 1.130 39.064 38.000 -0.109 0.000 1.407 80 I HN 0.303 nan 8.210 nan 0.000 0.516 81 V N 7.918 127.738 119.914 -0.157 0.000 2.841 81 V HA 0.419 4.542 4.120 0.004 0.000 0.310 81 V C -2.358 173.639 176.094 -0.162 0.000 1.090 81 V CA -1.773 60.420 62.300 -0.177 0.000 0.930 81 V CB 2.155 33.842 31.823 -0.226 0.000 1.014 81 V HN 0.547 nan 8.190 nan 0.000 0.425 82 P HA 0.138 nan 4.420 nan 0.000 0.275 82 P C 0.652 177.890 177.300 -0.102 0.000 1.227 82 P CA 0.174 63.211 63.100 -0.104 0.000 0.781 82 P CB 1.233 32.885 31.700 -0.080 0.000 0.906 83 S N 2.168 117.836 115.700 -0.054 0.000 2.406 83 S HA -0.081 4.391 4.470 0.004 0.000 0.228 83 S C 0.922 175.545 174.600 0.040 0.000 1.020 83 S CA 0.330 58.531 58.200 0.001 0.000 0.965 83 S CB -0.617 62.648 63.200 0.109 0.000 0.798 83 S HN 0.370 nan 8.310 nan 0.000 0.488 84 L N 2.371 123.632 121.223 0.062 0.000 2.334 84 L HA 0.496 4.839 4.340 0.004 0.000 0.286 84 L C -0.071 176.820 176.870 0.036 0.000 1.108 84 L CA 0.586 55.498 54.840 0.120 0.000 0.875 84 L CB 0.353 42.525 42.059 0.187 0.000 1.246 84 L HN 0.169 nan 8.230 nan 0.000 0.439 85 T N 2.558 117.051 114.554 -0.102 0.000 2.677 85 T HA 0.218 4.570 4.350 0.004 0.000 0.305 85 T C -1.622 172.530 174.700 -0.913 0.000 1.569 85 T CA -0.531 61.317 62.100 -0.420 0.000 0.984 85 T CB 0.258 68.942 68.868 -0.306 0.000 1.629 85 T HN 0.198 nan 8.240 nan 0.000 0.494 86 Y N 2.129 121.667 120.300 -1.270 0.000 2.359 86 Y HA 0.437 4.990 4.550 0.004 0.000 0.330 86 Y C 1.593 177.208 175.900 -0.477 0.000 1.143 86 Y CA -0.428 57.043 58.100 -1.049 0.000 1.318 86 Y CB 0.450 38.465 38.460 -0.742 0.000 1.234 86 Y HN 0.687 nan 8.280 nan 0.000 0.522 87 I N 4.508 124.578 120.570 -0.834 0.000 2.381 87 I HA -0.367 3.805 4.170 0.004 0.000 0.255 87 I C 2.023 177.897 176.117 -0.405 0.000 1.140 87 I CA 1.912 62.903 61.300 -0.515 0.000 1.404 87 I CB -0.165 37.597 38.000 -0.396 0.000 1.075 87 I HN 0.906 nan 8.210 nan 0.000 0.433 88 A N -0.477 122.088 122.820 -0.426 0.000 1.978 88 A HA -0.215 4.107 4.320 0.004 0.000 0.220 88 A C 2.365 179.804 177.584 -0.241 0.000 1.170 88 A CA 2.068 53.974 52.037 -0.218 0.000 0.636 88 A CB -0.735 18.265 19.000 0.000 0.000 0.810 88 A HN 0.520 nan 8.150 nan 0.000 0.448 89 S N 0.002 115.557 115.700 -0.241 0.000 2.359 89 S HA -0.114 4.358 4.470 0.004 0.000 0.224 89 S C 2.277 176.698 174.600 -0.298 0.000 1.035 89 S CA 1.437 59.483 58.200 -0.256 0.000 1.018 89 S CB -0.463 62.578 63.200 -0.265 0.000 0.876 89 S HN 0.830 nan 8.310 nan 0.000 0.448 90 A N 2.161 124.768 122.820 -0.354 0.000 1.898 90 A HA -0.028 4.294 4.320 0.004 0.000 0.214 90 A C 1.917 179.277 177.584 -0.374 0.000 1.183 90 A CA 1.157 52.919 52.037 -0.458 0.000 0.622 90 A CB -0.618 17.905 19.000 -0.795 0.000 0.824 90 A HN 0.399 nan 8.150 nan 0.000 0.444 91 N N 0.896 119.402 118.700 -0.324 0.000 2.149 91 N HA -0.153 4.589 4.740 0.004 0.000 0.188 91 N C 2.053 176.956 175.510 -1.011 0.000 1.019 91 N CA 1.829 54.580 53.050 -0.499 0.000 0.857 91 N CB -0.440 37.752 38.487 -0.492 0.000 0.997 91 N HN 0.634 nan 8.380 nan 0.000 0.426 92 S N -0.247 115.020 115.700 -0.722 0.000 2.382 92 S HA -0.080 4.393 4.470 0.004 0.000 0.228 92 S C 2.119 176.540 174.600 -0.299 0.000 1.027 92 S CA 1.091 58.956 58.200 -0.558 0.000 0.991 92 S CB -0.734 62.336 63.200 -0.217 0.000 0.823 92 S HN 0.053 nan 8.310 nan 0.000 0.469 93 V N 2.106 121.868 119.914 -0.253 0.000 2.358 93 V HA -0.144 3.979 4.120 0.004 0.000 0.246 93 V C 2.887 178.932 176.094 -0.083 0.000 1.047 93 V CA 2.221 64.442 62.300 -0.131 0.000 1.035 93 V CB -1.534 30.197 31.823 -0.153 0.000 0.658 93 V HN 0.579 nan 8.190 nan 0.000 0.452 94 T N -0.738 113.736 114.554 -0.133 0.000 2.746 94 T HA -0.186 4.166 4.350 0.004 0.000 0.267 94 T C 1.823 176.554 174.700 0.052 0.000 1.039 94 T CA 1.669 63.760 62.100 -0.016 0.000 1.142 94 T CB -0.363 68.522 68.868 0.027 0.000 0.866 94 T HN 0.423 nan 8.240 nan 0.000 0.444 95 Y N 0.852 121.113 120.300 -0.065 0.000 2.207 95 Y HA -0.114 4.439 4.550 0.004 0.000 0.287 95 Y C 2.833 178.726 175.900 -0.012 0.000 1.156 95 Y CA -0.618 57.385 58.100 -0.162 0.000 1.182 95 Y CB -1.465 36.647 38.460 -0.580 0.000 0.979 95 Y HN 0.293 nan 8.280 nan 0.000 0.521 96 C N -0.966 118.474 119.300 0.234 0.000 2.437 96 C HA 0.219 4.682 4.460 0.004 0.000 0.283 96 C C 2.247 177.327 174.990 0.150 0.000 1.424 96 C CA 1.069 60.230 59.018 0.239 0.000 1.782 96 C CB -1.156 26.692 27.740 0.179 0.000 1.833 96 C HN 0.854 nan 8.230 nan 0.000 0.532 97 G N -0.304 108.563 108.800 0.113 0.000 2.175 97 G HA2 -0.012 3.950 3.960 0.004 0.000 0.244 97 G HA3 -0.012 3.950 3.960 0.004 0.000 0.244 97 G C 0.117 175.053 174.900 0.061 0.000 0.982 97 G CA 0.256 45.405 45.100 0.082 0.000 0.641 97 G HN 0.887 nan 8.290 nan 0.000 0.527 98 A N -0.459 122.393 122.820 0.053 0.000 2.246 98 A HA 0.839 5.161 4.320 0.004 0.000 0.291 98 A C 0.471 178.067 177.584 0.020 0.000 1.103 98 A CA 0.711 52.765 52.037 0.029 0.000 0.844 98 A CB 0.717 19.726 19.000 0.016 0.000 1.136 98 A HN 0.730 nan 8.150 nan 0.000 0.500 99 T N 2.549 117.106 114.554 0.004 0.000 2.758 99 T HA 0.548 4.901 4.350 0.004 0.000 0.285 99 T C -2.724 171.941 174.700 -0.058 0.000 0.981 99 T CA -0.838 61.261 62.100 -0.001 0.000 0.965 99 T CB 1.241 70.115 68.868 0.010 0.000 0.927 99 T HN 0.384 nan 8.240 nan 0.000 0.448 100 P HA 0.340 nan 4.420 nan 0.000 0.275 100 P C -0.976 176.227 177.300 -0.162 0.000 1.227 100 P CA -0.472 62.516 63.100 -0.186 0.000 0.781 100 P CB 0.672 32.163 31.700 -0.348 0.000 0.906 101 V N 4.966 124.789 119.914 -0.151 0.000 2.326 101 V HA 0.229 4.351 4.120 0.004 0.000 0.281 101 V C 0.284 176.289 176.094 -0.148 0.000 1.015 101 V CA -0.566 61.656 62.300 -0.131 0.000 0.823 101 V CB 0.751 32.514 31.823 -0.101 0.000 1.009 101 V HN 0.385 nan 8.190 nan 0.000 0.436 102 L N 4.917 126.044 121.223 -0.159 0.000 2.416 102 L HA 0.519 4.862 4.340 0.004 0.000 0.272 102 L C -0.021 176.767 176.870 -0.136 0.000 1.161 102 L CA -0.027 54.717 54.840 -0.159 0.000 0.845 102 L CB 1.246 43.204 42.059 -0.168 0.000 1.119 102 L HN 0.423 nan 8.230 nan 0.000 0.464 103 V N 2.433 122.275 119.914 -0.119 0.000 2.823 103 V HA 0.357 4.479 4.120 0.004 0.000 0.312 103 V C -0.421 175.629 176.094 -0.073 0.000 1.072 103 V CA -0.616 61.626 62.300 -0.096 0.000 0.937 103 V CB 2.337 34.106 31.823 -0.089 0.000 1.013 103 V HN 0.731 nan 8.190 nan 0.000 0.430 104 D N 3.327 123.691 120.400 -0.060 0.000 2.371 104 D HA 0.259 4.902 4.640 0.004 0.000 0.242 104 D C -0.174 176.121 176.300 -0.009 0.000 1.218 104 D CA 0.204 54.187 54.000 -0.028 0.000 0.945 104 D CB 0.771 41.555 40.800 -0.026 0.000 1.137 104 D HN 0.854 nan 8.370 nan 0.000 0.464 105 N N 0.097 118.809 118.700 0.021 0.000 2.653 105 N HA 0.155 4.898 4.740 0.004 0.000 0.294 105 N C -0.831 174.691 175.510 0.020 0.000 1.305 105 N CA -0.657 52.411 53.050 0.031 0.000 0.827 105 N CB 1.236 39.771 38.487 0.079 0.000 1.415 105 N HN 0.320 nan 8.380 nan 0.000 0.546 106 D N 0.150 120.556 120.400 0.009 0.000 2.350 106 D HA 0.108 4.750 4.640 0.004 0.000 0.249 106 D C -1.457 174.799 176.300 -0.072 0.000 1.119 106 D CA -1.539 52.446 54.000 -0.026 0.000 0.886 106 D CB 1.542 42.328 40.800 -0.023 0.000 1.195 106 D HN 0.304 nan 8.370 nan 0.000 0.437 107 P HA -0.026 nan 4.420 nan 0.000 0.230 107 P C 0.838 177.962 177.300 -0.293 0.000 1.158 107 P CA 0.670 63.685 63.100 -0.141 0.000 0.769 107 P CB 0.586 32.234 31.700 -0.086 0.000 0.807 108 R N -0.591 119.739 120.500 -0.282 0.000 2.191 108 R HA 0.079 4.421 4.340 0.004 0.000 0.196 108 R C 2.150 178.208 176.300 -0.404 0.000 0.991 108 R CA 1.460 57.363 56.100 -0.328 0.000 1.075 108 R CB -0.377 29.816 30.300 -0.179 0.000 1.040 108 R HN 0.203 nan 8.270 nan 0.000 0.526 109 T N -2.697 111.733 114.554 -0.208 0.000 3.060 109 T HA 0.133 4.485 4.350 0.004 0.000 0.249 109 T C 0.465 175.221 174.700 0.094 0.000 1.079 109 T CA -0.053 62.027 62.100 -0.032 0.000 1.013 109 T CB 0.009 68.913 68.868 0.060 0.000 0.975 109 T HN 0.194 nan 8.240 nan 0.000 0.518 110 F N -0.047 119.965 119.950 0.102 0.000 2.748 110 F HA -0.185 4.345 4.527 0.004 0.000 0.370 110 F C 0.305 176.136 175.800 0.051 0.000 0.620 110 F CA 0.149 58.215 58.000 0.109 0.000 1.233 110 F CB -2.417 36.709 39.000 0.209 0.000 1.708 110 F HN 0.264 nan 8.300 nan 0.000 0.298 111 N N 0.920 119.711 118.700 0.153 0.000 2.482 111 N HA 0.489 5.232 4.740 0.004 0.000 0.279 111 N C -0.159 175.372 175.510 0.035 0.000 1.182 111 N CA -0.757 52.339 53.050 0.076 0.000 0.969 111 N CB 1.070 39.590 38.487 0.055 0.000 1.201 111 N HN 0.228 nan 8.380 nan 0.000 0.523 112 L N 0.947 122.170 121.223 0.000 0.000 2.640 112 L HA -0.084 4.258 4.340 0.004 0.000 0.280 112 L C 0.080 176.940 176.870 -0.016 0.000 1.229 112 L CA 0.387 55.214 54.840 -0.022 0.000 0.919 112 L CB 0.226 42.254 42.059 -0.052 0.000 1.168 112 L HN 0.441 nan 8.230 nan 0.000 0.496 113 D N 4.395 124.785 120.400 -0.017 0.000 2.380 113 D HA 0.208 4.850 4.640 0.004 0.000 0.230 113 D C 0.843 177.130 176.300 -0.021 0.000 1.154 113 D CA 0.341 54.332 54.000 -0.014 0.000 0.859 113 D CB 1.788 42.579 40.800 -0.016 0.000 1.045 113 D HN 0.664 nan 8.370 nan 0.000 0.495 114 A N 4.007 126.818 122.820 -0.016 0.000 1.986 114 A HA -0.130 4.193 4.320 0.004 0.000 0.220 114 A C 2.059 179.633 177.584 -0.016 0.000 1.171 114 A CA 1.785 53.811 52.037 -0.018 0.000 0.640 114 A CB -0.435 18.560 19.000 -0.008 0.000 0.811 114 A HN 0.642 nan 8.150 nan 0.000 0.451 115 A N -0.889 121.924 122.820 -0.011 0.000 2.178 115 A HA -0.072 4.251 4.320 0.004 0.000 0.218 115 A C 1.912 179.484 177.584 -0.020 0.000 1.157 115 A CA 1.511 53.541 52.037 -0.011 0.000 0.689 115 A CB -0.264 18.731 19.000 -0.008 0.000 0.787 115 A HN 0.525 nan 8.150 nan 0.000 0.465 116 K N -0.712 119.671 120.400 -0.028 0.000 2.358 116 K HA 0.326 4.649 4.320 0.004 0.000 0.197 116 K C 1.184 177.753 176.600 -0.051 0.000 1.025 116 K CA -0.174 56.090 56.287 -0.038 0.000 1.104 116 K CB 0.085 32.561 32.500 -0.040 0.000 0.855 116 K HN 0.434 nan 8.250 nan 0.000 0.531 117 L N 0.667 121.859 121.223 -0.052 0.000 2.005 117 L HA -0.179 4.163 4.340 0.004 0.000 0.207 117 L C 2.343 179.156 176.870 -0.096 0.000 1.072 117 L CA 1.310 56.105 54.840 -0.074 0.000 0.744 117 L CB -0.342 41.675 42.059 -0.069 0.000 0.895 117 L HN 0.154 nan 8.230 nan 0.000 0.433 118 E N 0.696 120.849 120.200 -0.078 0.000 2.086 118 E HA -0.291 4.061 4.350 0.004 0.000 0.205 118 E C 2.024 178.559 176.600 -0.108 0.000 1.027 118 E CA 1.884 58.224 56.400 -0.099 0.000 0.830 118 E CB -0.196 29.491 29.700 -0.020 0.000 0.751 118 E HN 0.415 nan 8.360 nan 0.000 0.456 119 A N -0.282 122.497 122.820 -0.069 0.000 2.178 119 A HA -0.078 4.244 4.320 0.004 0.000 0.218 119 A C 1.958 179.498 177.584 -0.074 0.000 1.157 119 A CA 1.007 53.008 52.037 -0.059 0.000 0.689 119 A CB -0.400 18.574 19.000 -0.043 0.000 0.787 119 A HN 0.342 nan 8.150 nan 0.000 0.465 120 L N -0.653 120.513 121.223 -0.095 0.000 2.554 120 L HA 0.247 4.590 4.340 0.004 0.000 0.225 120 L C 0.234 177.039 176.870 -0.109 0.000 1.104 120 L CA -0.245 54.538 54.840 -0.094 0.000 0.866 120 L CB -0.088 41.913 42.059 -0.096 0.000 1.047 120 L HN 0.252 nan 8.230 nan 0.000 0.468 121 I N 0.914 121.394 120.570 -0.150 0.000 2.618 121 I HA 0.026 4.199 4.170 0.004 0.000 0.284 121 I C 0.732 176.781 176.117 -0.113 0.000 1.146 121 I CA 0.482 61.672 61.300 -0.184 0.000 1.425 121 I CB 0.829 38.594 38.000 -0.392 0.000 1.383 121 I HN 0.172 nan 8.210 nan 0.000 0.562 122 T N 2.540 117.048 114.554 -0.077 0.000 2.778 122 T HA 0.409 4.762 4.350 0.004 0.000 0.293 122 T C -2.311 172.378 174.700 -0.019 0.000 1.144 122 T CA -1.545 60.532 62.100 -0.039 0.000 1.010 122 T CB 1.678 70.527 68.868 -0.032 0.000 1.325 122 T HN 0.173 nan 8.240 nan 0.000 0.515 123 P HA 0.088 nan 4.420 nan 0.000 0.221 123 P C 1.128 178.428 177.300 0.001 0.000 1.145 123 P CA 0.869 63.972 63.100 0.005 0.000 0.795 123 P CB 0.061 31.764 31.700 0.005 0.000 0.775 124 R N -1.943 118.552 120.500 -0.008 0.000 2.300 124 R HA 0.115 4.457 4.340 0.004 0.000 0.199 124 R C 0.379 176.670 176.300 -0.015 0.000 0.920 124 R CA 0.253 56.349 56.100 -0.008 0.000 1.046 124 R CB -0.393 29.902 30.300 -0.008 0.000 0.984 124 R HN 0.108 nan 8.270 nan 0.000 0.493 125 T N 1.478 116.017 114.554 -0.025 0.000 2.867 125 T HA 0.057 4.409 4.350 0.004 0.000 0.297 125 T C 0.959 175.647 174.700 -0.021 0.000 0.989 125 T CA 0.317 62.395 62.100 -0.036 0.000 1.159 125 T CB 1.063 69.894 68.868 -0.061 0.000 0.928 125 T HN 0.052 nan 8.240 nan 0.000 0.538 126 K N 0.661 121.048 120.400 -0.023 0.000 2.435 126 K HA 0.460 4.782 4.320 0.004 0.000 0.199 126 K C 0.457 177.045 176.600 -0.019 0.000 1.153 126 K CA 0.068 56.348 56.287 -0.012 0.000 0.974 126 K CB 1.143 33.638 32.500 -0.007 0.000 0.997 126 K HN 0.674 nan 8.250 nan 0.000 0.547 127 A N 1.017 123.816 122.820 -0.035 0.000 2.610 127 A HA 0.693 5.015 4.320 0.004 0.000 0.291 127 A C -1.469 176.077 177.584 -0.064 0.000 1.086 127 A CA -0.707 51.304 52.037 -0.043 0.000 0.677 127 A CB 1.109 20.083 19.000 -0.044 0.000 1.278 127 A HN 0.058 nan 8.150 nan 0.000 0.414 128 I N 0.889 121.418 120.570 -0.069 0.000 2.474 128 I HA 0.484 4.657 4.170 0.004 0.000 0.294 128 I C -0.150 175.903 176.117 -0.106 0.000 1.005 128 I CA -0.242 61.005 61.300 -0.088 0.000 1.113 128 I CB 2.077 40.030 38.000 -0.079 0.000 1.289 128 I HN 0.718 nan 8.210 nan 0.000 0.436 129 M N 8.454 127.976 119.600 -0.131 0.000 2.325 129 M HA 0.387 4.870 4.480 0.004 0.000 0.305 129 M C -2.593 173.593 176.300 -0.191 0.000 1.047 129 M CA -1.737 53.464 55.300 -0.165 0.000 0.981 129 M CB 0.812 33.305 32.600 -0.177 0.000 1.307 129 M HN 0.171 nan 8.290 nan 0.000 0.418 130 P HA 0.117 nan 4.420 nan 0.000 0.268 130 P C -1.036 176.052 177.300 -0.353 0.000 1.204 130 P CA -0.106 62.867 63.100 -0.212 0.000 0.768 130 P CB 0.960 32.563 31.700 -0.161 0.000 0.842 131 V N 4.449 124.189 119.914 -0.290 0.000 2.409 131 V HA 0.167 4.289 4.120 0.004 0.000 0.291 131 V C 0.282 176.242 176.094 -0.222 0.000 1.020 131 V CA -0.620 61.474 62.300 -0.344 0.000 0.848 131 V CB 0.826 32.493 31.823 -0.260 0.000 0.990 131 V HN 0.508 nan 8.190 nan 0.000 0.430 132 H N 5.003 123.965 119.070 -0.180 0.000 2.923 132 H HA 0.371 4.929 4.556 0.004 0.000 0.251 132 H C 0.114 175.343 175.328 -0.165 0.000 1.741 132 H CA -0.303 55.650 56.048 -0.159 0.000 1.387 132 H CB 0.009 29.681 29.762 -0.149 0.000 1.740 132 H HN 0.466 nan 8.280 nan 0.000 0.544 133 L N 2.350 123.511 121.223 -0.102 0.000 2.456 133 L HA -0.093 4.250 4.340 0.004 0.000 0.272 133 L C 0.625 177.389 176.870 -0.176 0.000 1.189 133 L CA -0.077 54.564 54.840 -0.332 0.000 0.846 133 L CB 0.176 41.877 42.059 -0.597 0.000 1.111 133 L HN 0.620 nan 8.230 nan 0.000 0.475 134 Y N 0.933 121.415 120.300 0.303 0.000 4.819 134 Y HA -0.274 4.279 4.550 0.004 0.000 0.230 134 Y C 1.349 177.447 175.900 0.330 0.000 1.009 134 Y CA 0.984 59.312 58.100 0.381 0.000 1.971 134 Y CB -2.280 36.300 38.460 0.200 0.000 1.587 134 Y HN 0.898 nan 8.280 nan 0.000 0.587 135 G N -0.586 108.377 108.800 0.271 0.000 2.163 135 G HA2 -0.238 3.724 3.960 0.004 0.000 0.213 135 G HA3 -0.238 3.724 3.960 0.004 0.000 0.213 135 G C -0.121 174.662 174.900 -0.195 0.000 0.991 135 G CA 0.024 45.232 45.100 0.180 0.000 0.653 135 G HN 0.685 nan 8.290 nan 0.000 0.518 136 Q N 0.487 120.013 119.800 -0.458 0.000 2.307 136 Q HA 0.708 5.050 4.340 0.004 0.000 0.262 136 Q C 0.397 176.224 176.000 -0.288 0.000 0.961 136 Q CA -0.937 54.477 55.803 -0.648 0.000 0.882 136 Q CB 0.825 29.025 28.738 -0.897 0.000 1.264 136 Q HN 0.377 nan 8.270 nan 0.000 0.446 137 I N 2.922 123.307 120.570 -0.309 0.000 2.634 137 I HA 0.071 4.244 4.170 0.004 0.000 0.284 137 I C 0.332 176.311 176.117 -0.231 0.000 1.124 137 I CA -0.741 60.245 61.300 -0.524 0.000 1.417 137 I CB 0.674 38.339 38.000 -0.558 0.000 1.396 137 I HN 0.747 nan 8.210 nan 0.000 0.571 138 C N 3.496 122.739 119.300 -0.094 0.000 2.758 138 C HA -0.049 4.413 4.460 0.004 0.000 0.371 138 C C 0.949 175.839 174.990 -0.166 0.000 1.342 138 C CA -0.202 58.796 59.018 -0.033 0.000 2.257 138 C CB -0.346 27.413 27.740 0.031 0.000 2.621 138 C HN 0.656 nan 8.230 nan 0.000 0.730 139 D N 1.419 121.778 120.400 -0.068 0.000 2.470 139 D HA 0.115 4.758 4.640 0.004 0.000 0.226 139 D C 1.027 177.226 176.300 -0.168 0.000 1.196 139 D CA -0.046 53.949 54.000 -0.010 0.000 0.979 139 D CB 0.135 40.984 40.800 0.082 0.000 1.059 139 D HN 0.287 nan 8.370 nan 0.000 0.515 140 M N 1.354 120.578 119.600 -0.627 0.000 2.213 140 M HA -0.114 4.369 4.480 0.004 0.000 0.263 140 M C 1.093 177.295 176.300 -0.163 0.000 1.062 140 M CA 0.920 55.924 55.300 -0.494 0.000 1.105 140 M CB -0.383 31.736 32.600 -0.801 0.000 1.385 140 M HN 0.304 nan 8.290 nan 0.000 0.417 141 D N 0.635 121.060 120.400 0.042 0.000 2.087 141 D HA -0.117 4.526 4.640 0.004 0.000 0.192 141 D C -0.616 175.716 176.300 0.054 0.000 0.993 141 D CA 1.578 55.650 54.000 0.120 0.000 0.828 141 D CB -1.670 39.254 40.800 0.207 0.000 0.968 141 D HN 0.250 nan 8.370 nan 0.000 0.448 142 P HA -0.056 nan 4.420 nan 0.000 0.218 142 P C 1.938 179.244 177.300 0.011 0.000 1.149 142 P CA 0.842 63.960 63.100 0.031 0.000 0.817 142 P CB 0.017 31.737 31.700 0.033 0.000 0.785 143 I N -0.700 119.862 120.570 -0.013 0.000 2.179 143 I HA -0.222 3.950 4.170 0.004 0.000 0.242 143 I C 2.562 178.670 176.117 -0.016 0.000 1.088 143 I CA 1.330 62.614 61.300 -0.027 0.000 1.357 143 I CB -0.680 37.286 38.000 -0.057 0.000 1.051 143 I HN -0.159 nan 8.210 nan 0.000 0.409 144 L N 0.097 121.310 121.223 -0.017 0.000 2.141 144 L HA -0.168 4.174 4.340 0.004 0.000 0.209 144 L C 2.667 179.546 176.870 0.015 0.000 1.094 144 L CA 0.920 55.758 54.840 -0.004 0.000 0.763 144 L CB -0.586 41.472 42.059 -0.003 0.000 0.908 144 L HN 0.279 nan 8.230 nan 0.000 0.437 145 E N 0.446 120.659 120.200 0.021 0.000 2.051 145 E HA -0.188 4.165 4.350 0.004 0.000 0.192 145 E C 2.219 178.845 176.600 0.044 0.000 0.991 145 E CA 1.539 57.955 56.400 0.027 0.000 0.799 145 E CB 0.022 29.739 29.700 0.028 0.000 0.748 145 E HN 0.284 nan 8.360 nan 0.000 0.449 146 V N 1.267 121.215 119.914 0.055 0.000 2.358 146 V HA -0.218 3.905 4.120 0.004 0.000 0.246 146 V C 2.580 178.769 176.094 0.157 0.000 1.047 146 V CA 1.658 64.026 62.300 0.113 0.000 1.035 146 V CB -0.818 31.043 31.823 0.064 0.000 0.658 146 V HN 0.348 nan 8.190 nan 0.000 0.452 147 A N -0.015 122.850 122.820 0.075 0.000 1.877 147 A HA -0.243 4.079 4.320 0.004 0.000 0.216 147 A C 2.354 179.982 177.584 0.074 0.000 1.186 147 A CA 1.932 54.010 52.037 0.068 0.000 0.620 147 A CB -0.510 18.501 19.000 0.019 0.000 0.822 147 A HN 0.490 nan 8.150 nan 0.000 0.443 148 R N -1.144 119.381 120.500 0.042 0.000 2.091 148 R HA -0.099 4.243 4.340 0.004 0.000 0.238 148 R C 2.459 178.756 176.300 -0.006 0.000 1.136 148 R CA 1.618 57.728 56.100 0.018 0.000 0.959 148 R CB -0.271 30.035 30.300 0.010 0.000 0.856 148 R HN 0.496 nan 8.270 nan 0.000 0.437 149 R N -0.422 120.067 120.500 -0.019 0.000 2.193 149 R HA -0.105 4.237 4.340 0.004 0.000 0.229 149 R C 0.924 177.018 176.300 -0.345 0.000 1.110 149 R CA 1.160 57.166 56.100 -0.156 0.000 0.988 149 R CB 0.097 30.301 30.300 -0.160 0.000 0.871 149 R HN 0.405 nan 8.270 nan 0.000 0.458 150 H N -1.539 117.525 119.070 -0.010 0.000 2.674 150 H HA 0.091 4.649 4.556 0.004 0.000 0.274 150 H C -0.039 175.283 175.328 -0.010 0.000 1.121 150 H CA -0.152 55.889 56.048 -0.011 0.000 1.132 150 H CB 0.500 30.253 29.762 -0.014 0.000 1.606 150 H HN 0.128 nan 8.280 nan 0.000 0.558 151 N N 1.232 119.966 118.700 0.058 0.000 2.727 151 N HA -0.180 4.563 4.740 0.004 0.000 0.249 151 N C -0.969 174.569 175.510 0.046 0.000 1.048 151 N CA 0.243 53.315 53.050 0.037 0.000 0.714 151 N CB -1.600 36.900 38.487 0.021 0.000 0.959 151 N HN 0.368 nan 8.380 nan 0.000 0.544 152 L N 0.097 121.352 121.223 0.054 0.000 2.344 152 L HA 0.508 4.851 4.340 0.004 0.000 0.272 152 L C 0.995 177.871 176.870 0.010 0.000 1.035 152 L CA -1.058 53.799 54.840 0.028 0.000 0.807 152 L CB 1.001 43.073 42.059 0.022 0.000 1.237 152 L HN 0.023 nan 8.230 nan 0.000 0.442 153 L N 1.619 122.840 121.223 -0.002 0.000 2.421 153 L HA 0.467 4.810 4.340 0.004 0.000 0.263 153 L C -0.511 176.345 176.870 -0.023 0.000 1.122 153 L CA -0.576 54.259 54.840 -0.009 0.000 0.804 153 L CB 1.591 43.644 42.059 -0.010 0.000 1.150 153 L HN 0.240 nan 8.230 nan 0.000 0.457 154 V N 3.136 123.034 119.914 -0.027 0.000 2.483 154 V HA 0.419 4.542 4.120 0.004 0.000 0.297 154 V C -0.482 175.579 176.094 -0.055 0.000 1.027 154 V CA -0.442 61.829 62.300 -0.047 0.000 0.855 154 V CB 1.966 33.763 31.823 -0.043 0.000 0.995 154 V HN 0.527 nan 8.190 nan 0.000 0.424 155 I N 3.753 124.272 120.570 -0.084 0.000 2.382 155 I HA 0.528 4.701 4.170 0.004 0.000 0.286 155 I C 0.086 176.102 176.117 -0.167 0.000 1.002 155 I CA -0.233 61.006 61.300 -0.102 0.000 1.135 155 I CB 1.286 39.229 38.000 -0.096 0.000 1.288 155 I HN 0.684 nan 8.210 nan 0.000 0.448 156 E N 5.628 125.714 120.200 -0.189 0.000 2.259 156 E HA 0.077 4.430 4.350 0.004 0.000 0.281 156 E C -0.889 175.463 176.600 -0.412 0.000 1.037 156 E CA -0.302 55.891 56.400 -0.344 0.000 0.854 156 E CB 0.792 30.328 29.700 -0.274 0.000 1.051 156 E HN 0.410 nan 8.360 nan 0.000 0.409 157 D N 2.690 122.796 120.400 -0.490 0.000 2.468 157 D HA 0.170 4.813 4.640 0.004 0.000 0.218 157 D C -0.286 175.687 176.300 -0.545 0.000 1.155 157 D CA -0.296 53.440 54.000 -0.440 0.000 0.924 157 D CB 0.569 41.158 40.800 -0.351 0.000 1.029 157 D HN 0.479 nan 8.370 nan 0.000 0.515 158 A N 3.135 125.593 122.820 -0.602 0.000 2.460 158 A HA 0.456 4.779 4.320 0.004 0.000 0.258 158 A C 1.954 179.255 177.584 -0.471 0.000 1.300 158 A CA 0.468 52.185 52.037 -0.532 0.000 0.913 158 A CB -0.068 18.424 19.000 -0.846 0.000 1.031 158 A HN 0.546 nan 8.150 nan 0.000 0.512 159 A N 1.016 123.590 122.820 -0.411 0.000 1.929 159 A HA -0.258 4.064 4.320 0.004 0.000 0.221 159 A C 1.536 178.980 177.584 -0.234 0.000 1.211 159 A CA 2.053 53.902 52.037 -0.313 0.000 0.657 159 A CB -0.379 18.419 19.000 -0.336 0.000 0.827 159 A HN 0.618 nan 8.150 nan 0.000 0.462 160 E N -1.431 118.630 120.200 -0.231 0.000 2.437 160 E HA 0.448 4.801 4.350 0.004 0.000 0.195 160 E C 0.416 177.071 176.600 0.091 0.000 1.029 160 E CA 0.298 56.567 56.400 -0.219 0.000 0.948 160 E CB 0.295 29.880 29.700 -0.191 0.000 1.082 160 E HN 0.549 nan 8.360 nan 0.000 0.456 161 A N 0.712 123.630 122.820 0.163 0.000 2.594 161 A HA 0.212 4.535 4.320 0.004 0.000 0.292 161 A C 0.363 178.206 177.584 0.432 0.000 1.026 161 A CA -0.380 51.816 52.037 0.265 0.000 0.983 161 A CB 0.448 19.553 19.000 0.176 0.000 1.233 161 A HN 0.060 nan 8.150 nan 0.000 0.519 162 V N 0.511 120.768 119.914 0.572 0.000 2.720 162 V HA 0.303 4.425 4.120 0.004 0.000 0.307 162 V C 1.779 178.150 176.094 0.463 0.000 1.071 162 V CA 2.152 64.821 62.300 0.615 0.000 1.199 162 V CB 0.414 32.574 31.823 0.562 0.000 0.900 162 V HN 1.453 nan 8.190 nan 0.000 0.494 163 G N 3.378 112.448 108.800 0.451 0.000 2.267 163 G HA2 -0.176 3.786 3.960 0.004 0.000 0.257 163 G HA3 -0.176 3.786 3.960 0.004 0.000 0.257 163 G C 0.523 175.545 174.900 0.204 0.000 0.998 163 G CA 0.294 45.615 45.100 0.369 0.000 0.620 163 G HN 1.634 nan 8.290 nan 0.000 0.529 164 A N 0.179 123.116 122.820 0.196 0.000 2.406 164 A HA 0.715 5.038 4.320 0.004 0.000 0.243 164 A C 0.828 178.444 177.584 0.053 0.000 1.082 164 A CA 1.575 53.680 52.037 0.113 0.000 0.786 164 A CB 0.320 19.355 19.000 0.058 0.000 1.029 164 A HN 1.953 nan 8.150 nan 0.000 0.495 165 T N -1.964 112.613 114.554 0.038 0.000 2.896 165 T HA 0.592 4.945 4.350 0.004 0.000 0.297 165 T C -1.167 173.579 174.700 0.077 0.000 1.108 165 T CA -0.432 61.687 62.100 0.031 0.000 1.004 165 T CB 1.405 70.276 68.868 0.004 0.000 1.159 165 T HN 1.055 nan 8.240 nan 0.000 0.499 166 Y N 1.217 121.476 120.300 -0.068 0.000 2.307 166 Y HA 0.472 5.025 4.550 0.004 0.000 0.323 166 Y C 0.316 176.190 175.900 -0.043 0.000 1.100 166 Y CA -0.758 57.302 58.100 -0.066 0.000 1.140 166 Y CB 1.158 39.561 38.460 -0.095 0.000 1.159 166 Y HN 0.959 nan 8.280 nan 0.000 0.436 167 R N 4.308 124.592 120.500 -0.360 0.000 3.322 167 R HA -0.237 4.106 4.340 0.004 0.000 0.253 167 R C 1.023 177.278 176.300 -0.075 0.000 0.987 167 R CA 1.221 57.174 56.100 -0.245 0.000 0.666 167 R CB -1.797 28.299 30.300 -0.341 0.000 1.072 167 R HN 1.495 nan 8.270 nan 0.000 0.447 168 G N -0.781 107.987 108.800 -0.053 0.000 2.179 168 G HA2 -0.359 3.603 3.960 0.004 0.000 0.260 168 G HA3 -0.359 3.603 3.960 0.004 0.000 0.260 168 G C 0.033 174.924 174.900 -0.015 0.000 0.977 168 G CA 0.758 45.840 45.100 -0.030 0.000 0.641 168 G HN 0.388 nan 8.290 nan 0.000 0.533 169 K N 0.482 120.891 120.400 0.016 0.000 2.207 169 K HA 0.513 4.836 4.320 0.004 0.000 0.255 169 K C 0.147 176.752 176.600 0.008 0.000 0.941 169 K CA -0.946 55.351 56.287 0.016 0.000 0.825 169 K CB 1.424 33.959 32.500 0.058 0.000 1.119 169 K HN -0.067 nan 8.250 nan 0.000 0.430 170 K N 1.341 121.718 120.400 -0.038 0.000 2.202 170 K HA 0.105 4.428 4.320 0.004 0.000 0.264 170 K C 0.112 176.733 176.600 0.035 0.000 1.010 170 K CA -0.039 56.218 56.287 -0.051 0.000 0.940 170 K CB 1.154 33.554 32.500 -0.167 0.000 0.983 170 K HN 0.841 nan 8.250 nan 0.000 0.475 171 S N -0.080 115.669 115.700 0.081 0.000 2.558 171 S HA 0.212 4.685 4.470 0.004 0.000 0.291 171 S C 1.164 175.957 174.600 0.321 0.000 1.306 171 S CA 0.282 58.572 58.200 0.148 0.000 1.056 171 S CB 0.537 63.873 63.200 0.227 0.000 0.836 171 S HN 0.882 nan 8.310 nan 0.000 0.504 172 G N 1.325 110.291 108.800 0.277 0.000 2.232 172 G HA2 -0.292 3.671 3.960 0.004 0.000 0.226 172 G HA3 -0.292 3.671 3.960 0.004 0.000 0.226 172 G C 0.705 175.725 174.900 0.201 0.000 0.996 172 G CA 0.588 45.902 45.100 0.357 0.000 0.626 172 G HN 1.881 nan 8.290 nan 0.000 0.509 173 S N -0.316 115.458 115.700 0.124 0.000 2.578 173 S HA 0.544 5.016 4.470 0.004 0.000 0.231 173 S C 1.875 176.509 174.600 0.056 0.000 0.994 173 S CA 0.661 58.907 58.200 0.076 0.000 0.956 173 S CB 0.212 63.436 63.200 0.039 0.000 0.870 173 S HN 0.355 nan 8.310 nan 0.000 0.494 174 L N 1.312 122.567 121.223 0.053 0.000 2.200 174 L HA 0.407 4.749 4.340 0.004 0.000 0.200 174 L C 1.850 178.728 176.870 0.013 0.000 1.072 174 L CA 0.781 55.635 54.840 0.024 0.000 0.787 174 L CB -0.822 41.228 42.059 -0.014 0.000 0.957 174 L HN 0.451 nan 8.230 nan 0.000 0.459 175 G N -1.339 107.468 108.800 0.012 0.000 2.543 175 G HA2 0.043 4.005 3.960 0.004 0.000 0.290 175 G HA3 0.043 4.005 3.960 0.004 0.000 0.290 175 G C 0.106 175.012 174.900 0.010 0.000 1.310 175 G CA -0.291 44.806 45.100 -0.005 0.000 1.025 175 G HN 0.037 nan 8.290 nan 0.000 0.502 176 D N -1.388 119.014 120.400 0.003 0.000 2.182 176 D HA -0.074 4.568 4.640 0.004 0.000 0.201 176 D C 1.181 177.497 176.300 0.028 0.000 0.986 176 D CA 1.687 55.696 54.000 0.016 0.000 0.847 176 D CB -0.043 40.761 40.800 0.007 0.000 0.942 176 D HN 0.462 nan 8.370 nan 0.000 0.467 177 C N -2.215 117.096 119.300 0.017 0.000 3.295 177 C HA 0.858 5.320 4.460 0.004 0.000 0.341 177 C C -1.214 173.780 174.990 0.007 0.000 1.418 177 C CA -0.855 58.184 59.018 0.034 0.000 1.240 177 C CB 1.590 29.347 27.740 0.029 0.000 1.562 177 C HN 0.208 nan 8.230 nan 0.000 0.457 178 A N 0.365 123.202 122.820 0.027 0.000 2.609 178 A HA 1.019 5.341 4.320 0.004 0.000 0.291 178 A C -0.435 177.108 177.584 -0.068 0.000 1.096 178 A CA 0.224 52.225 52.037 -0.060 0.000 0.684 178 A CB 1.341 20.322 19.000 -0.031 0.000 1.282 178 A HN 2.355 nan 8.150 nan 0.000 0.412 179 T N -1.650 112.748 114.554 -0.261 0.000 2.906 179 T HA 0.845 5.197 4.350 0.004 0.000 0.295 179 T C -0.926 173.469 174.700 -0.508 0.000 1.061 179 T CA -0.484 61.490 62.100 -0.209 0.000 1.000 179 T CB 1.121 69.878 68.868 -0.185 0.000 1.103 179 T HN 0.514 nan 8.240 nan 0.000 0.486 180 F N 0.242 120.048 119.950 -0.240 0.000 2.620 180 F HA 0.768 5.298 4.527 0.005 0.000 0.320 180 F C 0.459 175.881 175.800 -0.631 0.000 1.069 180 F CA -0.892 56.890 58.000 -0.362 0.000 0.953 180 F CB 2.512 41.288 39.000 -0.374 0.000 1.322 180 F HN 0.769 nan 8.300 nan 0.000 0.479 181 S N 0.447 115.889 115.700 -0.429 0.000 2.532 181 S HA 0.696 5.168 4.470 0.004 0.000 0.301 181 S C -1.085 173.247 174.600 -0.448 0.000 1.083 181 S CA -0.333 57.594 58.200 -0.454 0.000 1.025 181 S CB 0.579 63.620 63.200 -0.266 0.000 1.056 181 S HN 0.405 nan 8.310 nan 0.000 0.494 182 F N 3.326 123.324 119.950 0.080 0.000 2.841 182 F HA 0.407 4.937 4.527 0.005 0.000 0.358 182 F C -0.038 175.815 175.800 0.088 0.000 1.261 182 F CA -1.269 56.780 58.000 0.082 0.000 1.233 182 F CB -0.211 38.841 39.000 0.087 0.000 1.008 182 F HN 0.553 nan 8.300 nan 0.000 0.507 183 F N 0.771 120.769 119.950 0.079 0.000 2.532 183 F HA 0.410 4.940 4.527 0.005 0.000 0.323 183 F C 1.785 177.635 175.800 0.082 0.000 1.234 183 F CA 0.316 58.344 58.000 0.046 0.000 1.323 183 F CB 0.684 39.666 39.000 -0.029 0.000 1.183 183 F HN 0.203 nan 8.300 nan 0.000 0.589 184 G N 1.681 109.679 108.800 -1.336 0.000 2.475 184 G HA2 -0.365 3.598 3.960 0.004 0.000 0.220 184 G HA3 -0.365 3.598 3.960 0.004 0.000 0.220 184 G C 0.950 175.645 174.900 -0.342 0.000 1.125 184 G CA 1.049 45.650 45.100 -0.832 0.000 0.755 184 G HN 0.723 nan 8.290 nan 0.000 0.565 185 N N 0.629 119.262 118.700 -0.112 0.000 2.336 185 N HA 0.392 5.134 4.740 0.004 0.000 0.189 185 N C 0.787 176.581 175.510 0.472 0.000 1.113 185 N CA 0.365 53.562 53.050 0.246 0.000 0.858 185 N CB -0.056 38.733 38.487 0.504 0.000 0.970 185 N HN 0.346 nan 8.380 nan 0.000 0.471 186 A N 0.469 123.461 122.820 0.287 0.000 2.313 186 A HA 0.392 4.714 4.320 0.004 0.000 0.261 186 A C 1.376 179.157 177.584 0.327 0.000 1.090 186 A CA -0.578 51.616 52.037 0.261 0.000 0.807 186 A CB 0.109 19.200 19.000 0.151 0.000 1.055 186 A HN 0.172 nan 8.150 nan 0.000 0.492 187 I N -0.423 120.370 120.570 0.373 0.000 2.226 187 I HA -0.131 4.042 4.170 0.004 0.000 0.245 187 I C 0.234 176.494 176.117 0.237 0.000 1.100 187 I CA 1.474 62.982 61.300 0.347 0.000 1.374 187 I CB -0.101 38.135 38.000 0.393 0.000 1.057 187 I HN 0.408 nan 8.210 nan 0.000 0.413 188 I N -0.151 120.584 120.570 0.276 0.000 2.418 188 I HA 0.176 4.349 4.170 0.004 0.000 0.287 188 I C -0.067 176.176 176.117 0.210 0.000 1.008 188 I CA -0.150 61.266 61.300 0.194 0.000 1.104 188 I CB 1.980 40.107 38.000 0.213 0.000 1.264 188 I HN -0.127 nan 8.210 nan 0.000 0.438 189 T N 2.475 117.059 114.554 0.051 0.000 2.918 189 T HA 0.460 4.812 4.350 0.004 0.000 0.286 189 T C 0.489 175.151 174.700 -0.063 0.000 1.026 189 T CA -0.292 61.840 62.100 0.052 0.000 1.031 189 T CB 1.199 70.050 68.868 -0.027 0.000 1.046 189 T HN 0.737 nan 8.240 nan 0.000 0.479 190 T N -0.299 114.265 114.554 0.017 0.000 3.231 190 T HA 0.504 4.856 4.350 0.004 0.000 0.292 190 T C 1.402 176.098 174.700 -0.007 0.000 1.001 190 T CA 0.655 62.724 62.100 -0.053 0.000 0.920 190 T CB -0.049 68.808 68.868 -0.019 0.000 1.140 190 T HN 1.245 nan 8.240 nan 0.000 0.525 191 G N 1.619 110.401 108.800 -0.030 0.000 4.526 191 G HA2 -0.205 3.757 3.960 0.004 0.000 0.217 191 G HA3 -0.205 3.757 3.960 0.004 0.000 0.217 191 G C -0.326 174.593 174.900 0.032 0.000 1.428 191 G CA 0.145 45.209 45.100 -0.060 0.000 0.928 191 G HN 0.657 nan 8.290 nan 0.000 0.639 192 E N 1.038 121.323 120.200 0.142 0.000 2.292 192 E HA 0.600 4.952 4.350 0.004 0.000 0.272 192 E C -0.019 176.710 176.600 0.216 0.000 0.881 192 E CA 0.183 56.725 56.400 0.237 0.000 0.754 192 E CB 1.724 31.551 29.700 0.212 0.000 1.201 192 E HN 1.541 nan 8.360 nan 0.000 0.425 193 G N 0.348 109.290 108.800 0.237 0.000 2.355 193 G HA2 0.540 4.502 3.960 0.004 0.000 0.296 193 G HA3 0.540 4.502 3.960 0.004 0.000 0.296 193 G C -1.065 173.934 174.900 0.164 0.000 1.507 193 G CA -0.090 45.186 45.100 0.292 0.000 0.823 193 G HN 0.623 nan 8.290 nan 0.000 0.569 194 G N -1.346 107.511 108.800 0.094 0.000 2.682 194 G HA2 0.808 4.770 3.960 0.004 0.000 0.290 194 G HA3 0.808 4.770 3.960 0.004 0.000 0.290 194 G C -1.457 173.350 174.900 -0.155 0.000 1.425 194 G CA -0.402 44.532 45.100 -0.277 0.000 0.807 194 G HN 1.312 nan 8.290 nan 0.000 0.482 195 M N -0.073 119.379 119.600 -0.247 0.000 2.470 195 M HA 0.711 5.194 4.480 0.004 0.000 0.285 195 M C -1.892 174.436 176.300 0.048 0.000 1.213 195 M CA -0.529 54.714 55.300 -0.095 0.000 0.901 195 M CB 2.098 34.511 32.600 -0.312 0.000 1.718 195 M HN 0.424 nan 8.290 nan 0.000 0.469 196 I N 2.413 123.034 120.570 0.085 0.000 2.441 196 I HA 0.653 4.825 4.170 0.004 0.000 0.295 196 I C -0.367 175.876 176.117 0.210 0.000 0.994 196 I CA -0.709 60.669 61.300 0.130 0.000 1.144 196 I CB 2.263 40.307 38.000 0.074 0.000 1.314 196 I HN 0.798 nan 8.210 nan 0.000 0.445 197 T N 0.746 115.465 114.554 0.276 0.000 2.887 197 T HA 0.762 5.114 4.350 0.004 0.000 0.288 197 T C -0.466 174.354 174.700 0.199 0.000 1.021 197 T CA -0.728 61.545 62.100 0.287 0.000 1.000 197 T CB 2.201 71.315 68.868 0.410 0.000 1.034 197 T HN 0.692 nan 8.240 nan 0.000 0.467 198 T N 0.430 115.102 114.554 0.198 0.000 2.786 198 T HA 0.394 4.746 4.350 0.004 0.000 0.316 198 T C -0.577 174.265 174.700 0.236 0.000 1.503 198 T CA -0.714 61.488 62.100 0.169 0.000 1.019 198 T CB 1.479 70.415 68.868 0.113 0.000 1.415 198 T HN 0.552 nan 8.240 nan 0.000 0.496 199 N N 1.222 120.034 118.700 0.187 0.000 2.205 199 N HA 0.113 4.855 4.740 0.004 0.000 0.201 199 N C -0.533 175.117 175.510 0.234 0.000 1.128 199 N CA -0.056 53.111 53.050 0.196 0.000 0.867 199 N CB 0.515 39.058 38.487 0.092 0.000 0.996 199 N HN 0.614 nan 8.380 nan 0.000 0.503 200 D N 1.388 121.888 120.400 0.168 0.000 2.339 200 D HA 0.027 4.670 4.640 0.004 0.000 0.241 200 D C 0.164 176.458 176.300 -0.009 0.000 1.183 200 D CA -0.208 53.841 54.000 0.083 0.000 0.859 200 D CB 1.113 41.935 40.800 0.036 0.000 1.067 200 D HN -0.048 nan 8.370 nan 0.000 0.484 201 D N 2.921 123.349 120.400 0.047 0.000 2.092 201 D HA -0.190 4.453 4.640 0.004 0.000 0.193 201 D C 1.277 177.500 176.300 -0.127 0.000 0.994 201 D CA 1.129 55.091 54.000 -0.064 0.000 0.828 201 D CB 0.080 40.919 40.800 0.065 0.000 0.963 201 D HN 0.533 nan 8.370 nan 0.000 0.450 202 D N -0.712 119.660 120.400 -0.046 0.000 2.104 202 D HA -0.131 4.512 4.640 0.004 0.000 0.194 202 D C 1.923 178.191 176.300 -0.052 0.000 0.994 202 D CA 0.421 54.399 54.000 -0.038 0.000 0.830 202 D CB -0.120 40.673 40.800 -0.011 0.000 0.959 202 D HN -0.007 nan 8.370 nan 0.000 0.452 203 L N 0.416 121.608 121.223 -0.051 0.000 2.046 203 L HA -0.015 4.328 4.340 0.004 0.000 0.208 203 L C 2.160 178.988 176.870 -0.070 0.000 1.077 203 L CA 1.911 56.728 54.840 -0.040 0.000 0.747 203 L CB -1.101 40.946 42.059 -0.020 0.000 0.896 203 L HN 0.065 nan 8.230 nan 0.000 0.432 204 A N -0.746 121.976 122.820 -0.163 0.000 1.908 204 A HA -0.180 4.142 4.320 0.004 0.000 0.218 204 A C 2.445 179.955 177.584 -0.124 0.000 1.181 204 A CA 2.014 53.925 52.037 -0.210 0.000 0.627 204 A CB -1.094 17.543 19.000 -0.605 0.000 0.818 204 A HN 0.535 nan 8.150 nan 0.000 0.445 205 A N 0.042 122.791 122.820 -0.117 0.000 1.898 205 A HA -0.157 4.166 4.320 0.004 0.000 0.216 205 A C 2.081 179.653 177.584 -0.019 0.000 1.181 205 A CA 1.761 53.766 52.037 -0.053 0.000 0.620 205 A CB -0.453 18.524 19.000 -0.039 0.000 0.819 205 A HN 0.589 nan 8.150 nan 0.000 0.442 206 K N -0.674 119.715 120.400 -0.018 0.000 2.063 206 K HA -0.132 4.191 4.320 0.004 0.000 0.208 206 K C 2.032 178.646 176.600 0.023 0.000 1.048 206 K CA 1.809 58.098 56.287 0.004 0.000 0.928 206 K CB -0.380 32.123 32.500 0.005 0.000 0.713 206 K HN 0.479 nan 8.250 nan 0.000 0.442 207 M N 0.522 120.136 119.600 0.023 0.000 2.117 207 M HA -0.147 4.335 4.480 0.004 0.000 0.262 207 M C 2.242 178.586 176.300 0.074 0.000 1.065 207 M CA 1.607 56.941 55.300 0.057 0.000 1.114 207 M CB -0.182 32.446 32.600 0.047 0.000 1.361 207 M HN 0.085 nan 8.290 nan 0.000 0.408 208 R N -0.051 120.477 120.500 0.048 0.000 2.075 208 R HA -0.120 4.223 4.340 0.004 0.000 0.232 208 R C 2.212 178.548 176.300 0.059 0.000 1.126 208 R CA 1.190 57.324 56.100 0.057 0.000 0.963 208 R CB -0.666 29.656 30.300 0.037 0.000 0.858 208 R HN 0.271 nan 8.270 nan 0.000 0.435 209 L N 1.218 122.465 121.223 0.040 0.000 2.017 209 L HA -0.146 4.196 4.340 0.004 0.000 0.208 209 L C 1.968 178.859 176.870 0.036 0.000 1.073 209 L CA 1.684 56.544 54.840 0.033 0.000 0.745 209 L CB -0.413 41.657 42.059 0.018 0.000 0.894 209 L HN 0.112 nan 8.230 nan 0.000 0.432 210 L N -0.695 120.553 121.223 0.042 0.000 2.093 210 L HA -0.166 4.177 4.340 0.004 0.000 0.208 210 L C 2.809 179.746 176.870 0.111 0.000 1.085 210 L CA 1.434 56.292 54.840 0.031 0.000 0.755 210 L CB -0.518 41.603 42.059 0.104 0.000 0.904 210 L HN 0.326 nan 8.230 nan 0.000 0.435 211 R N 0.550 121.149 120.500 0.165 0.000 2.105 211 R HA -0.131 4.211 4.340 0.004 0.000 0.239 211 R C 1.370 177.758 176.300 0.146 0.000 1.135 211 R CA 1.411 57.634 56.100 0.205 0.000 0.967 211 R CB -0.339 30.072 30.300 0.184 0.000 0.861 211 R HN 0.347 nan 8.270 nan 0.000 0.442 212 G N 0.209 109.075 108.800 0.109 0.000 3.709 212 G HA2 0.038 4.000 3.960 0.004 0.000 0.272 212 G HA3 0.038 4.000 3.960 0.004 0.000 0.272 212 G C -0.307 174.660 174.900 0.111 0.000 1.259 212 G CA -0.335 44.829 45.100 0.105 0.000 1.512 212 G HN 0.347 nan 8.290 nan 0.000 0.625 213 Q N -0.893 118.949 119.800 0.069 0.000 2.439 213 Q HA -0.251 4.092 4.340 0.004 0.000 0.247 213 Q C 1.545 177.609 176.000 0.107 0.000 0.899 213 Q CA 1.248 57.078 55.803 0.046 0.000 1.201 213 Q CB -1.896 26.932 28.738 0.150 0.000 1.608 213 Q HN 1.602 nan 8.270 nan 0.000 0.563 214 G N 0.528 109.362 108.800 0.057 0.000 2.179 214 G HA2 -0.365 3.598 3.960 0.004 0.000 0.257 214 G HA3 -0.365 3.598 3.960 0.004 0.000 0.257 214 G C 0.110 175.110 174.900 0.167 0.000 1.010 214 G CA 0.833 45.970 45.100 0.061 0.000 0.736 214 G HN 0.409 nan 8.290 nan 0.000 0.513 215 M N 1.031 120.718 119.600 0.145 0.000 2.217 215 M HA 0.291 4.774 4.480 0.004 0.000 0.354 215 M C 0.215 176.449 176.300 -0.109 0.000 1.225 215 M CA -0.527 54.674 55.300 -0.164 0.000 1.137 215 M CB 0.484 32.922 32.600 -0.271 0.000 1.576 215 M HN 0.172 nan 8.290 nan 0.000 0.461 216 D N 5.808 126.125 120.400 -0.138 0.000 2.417 216 D HA 0.102 4.744 4.640 0.004 0.000 0.250 216 D C -1.988 174.283 176.300 -0.049 0.000 1.166 216 D CA -1.464 52.527 54.000 -0.015 0.000 0.881 216 D CB 1.352 42.220 40.800 0.113 0.000 1.164 216 D HN 0.360 nan 8.370 nan 0.000 0.467 217 P HA -0.041 nan 4.420 nan 0.000 0.220 217 P C 0.861 178.140 177.300 -0.035 0.000 1.148 217 P CA 0.810 63.894 63.100 -0.025 0.000 0.803 217 P CB 0.332 32.026 31.700 -0.011 0.000 0.782 218 N N -0.975 117.705 118.700 -0.033 0.000 2.299 218 N HA 0.075 4.818 4.740 0.004 0.000 0.187 218 N C 0.089 175.563 175.510 -0.060 0.000 1.099 218 N CA 0.229 53.252 53.050 -0.045 0.000 0.867 218 N CB 0.426 38.887 38.487 -0.043 0.000 0.974 218 N HN 0.131 nan 8.380 nan 0.000 0.477 219 R N 1.247 121.718 120.500 -0.049 0.000 2.468 219 R HA 0.265 4.608 4.340 0.004 0.000 0.302 219 R C -0.840 175.430 176.300 -0.049 0.000 1.041 219 R CA -0.812 55.263 56.100 -0.041 0.000 0.899 219 R CB 1.758 32.053 30.300 -0.008 0.000 1.167 219 R HN -0.095 nan 8.270 nan 0.000 0.483 220 R N 2.307 122.737 120.500 -0.116 0.000 2.502 220 R HA -0.116 4.226 4.340 0.004 0.000 0.292 220 R C -0.316 175.916 176.300 -0.113 0.000 0.998 220 R CA 0.760 56.711 56.100 -0.249 0.000 1.056 220 R CB -0.139 29.905 30.300 -0.426 0.000 0.939 220 R HN 0.602 nan 8.270 nan 0.000 0.411 221 Y N 0.870 121.086 120.300 -0.141 0.000 4.409 221 Y HA -0.282 4.271 4.550 0.004 0.000 0.228 221 Y C -0.581 175.246 175.900 -0.121 0.000 1.108 221 Y CA 0.726 58.785 58.100 -0.068 0.000 1.955 221 Y CB -2.264 36.305 38.460 0.181 0.000 1.615 221 Y HN 0.668 nan 8.280 nan 0.000 0.665 222 W N 1.711 122.782 121.300 -0.383 0.000 2.361 222 W HA 0.570 5.232 4.660 0.004 0.000 0.314 222 W C -1.379 174.889 176.519 -0.418 0.000 1.041 222 W CA -1.017 56.202 57.345 -0.209 0.000 1.241 222 W CB 0.705 30.091 29.460 -0.123 0.000 1.279 222 W HN -0.099 nan 8.180 nan 0.000 0.436 223 F N 7.778 127.378 119.950 -0.582 0.000 2.366 223 F HA 0.278 4.807 4.527 0.004 0.000 0.366 223 F C -1.163 174.384 175.800 -0.421 0.000 1.096 223 F CA -2.190 55.589 58.000 -0.368 0.000 1.060 223 F CB 0.804 39.645 39.000 -0.265 0.000 1.282 223 F HN 0.189 nan 8.300 nan 0.000 0.450 224 P HA -0.008 nan 4.420 nan 0.000 0.225 224 P C 0.097 177.377 177.300 -0.034 0.000 1.156 224 P CA 1.227 64.311 63.100 -0.026 0.000 0.787 224 P CB 0.727 32.472 31.700 0.074 0.000 0.802 225 I N -5.672 114.878 120.570 -0.033 0.000 3.279 225 I HA 0.465 4.637 4.170 0.004 0.000 0.315 225 I C -0.853 175.192 176.117 -0.120 0.000 1.187 225 I CA -1.767 59.490 61.300 -0.070 0.000 0.953 225 I CB 2.274 40.236 38.000 -0.064 0.000 1.279 225 I HN -0.492 nan 8.210 nan 0.000 0.465 226 V N 2.366 122.170 119.914 -0.183 0.000 2.488 226 V HA 0.647 4.769 4.120 0.004 0.000 0.277 226 V C 0.775 176.591 176.094 -0.463 0.000 1.046 226 V CA 0.567 62.695 62.300 -0.287 0.000 0.986 226 V CB 0.275 31.942 31.823 -0.261 0.000 0.989 226 V HN 0.987 nan 8.190 nan 0.000 0.475 227 G N 3.443 111.923 108.800 -0.533 0.000 3.251 227 G HA2 0.797 4.759 3.960 0.004 0.000 0.248 227 G HA3 0.797 4.759 3.960 0.004 0.000 0.248 227 G C -1.508 172.797 174.900 -0.990 0.000 1.320 227 G CA -0.522 44.117 45.100 -0.768 0.000 0.982 227 G HN 0.376 nan 8.290 nan 0.000 0.575 228 F N -1.296 118.490 119.950 -0.274 0.000 2.640 228 F HA 0.502 5.031 4.527 0.004 0.000 0.324 228 F C -0.101 175.497 175.800 -0.337 0.000 1.077 228 F CA -1.346 56.354 58.000 -0.500 0.000 0.965 228 F CB 2.001 40.324 39.000 -1.130 0.000 1.351 228 F HN 0.282 nan 8.300 nan 0.000 0.487 229 N N 0.823 119.456 118.700 -0.112 0.000 2.817 229 N HA 0.158 4.900 4.740 0.004 0.000 0.234 229 N C -1.206 174.432 175.510 0.214 0.000 1.066 229 N CA -0.067 53.009 53.050 0.044 0.000 0.926 229 N CB -0.177 38.350 38.487 0.066 0.000 1.176 229 N HN 0.439 nan 8.380 nan 0.000 0.506 230 Y N 1.176 121.561 120.300 0.142 0.000 2.716 230 Y HA 0.351 4.903 4.550 0.004 0.000 0.260 230 Y C 0.365 176.324 175.900 0.098 0.000 1.141 230 Y CA -0.677 57.483 58.100 0.099 0.000 1.168 230 Y CB 0.007 38.515 38.460 0.079 0.000 1.189 230 Y HN 0.168 nan 8.280 nan 0.000 0.549 231 R N 0.621 121.271 120.500 0.249 0.000 2.594 231 R HA 0.310 4.652 4.340 0.004 0.000 0.272 231 R C 0.309 176.711 176.300 0.170 0.000 1.074 231 R CA -0.231 55.981 56.100 0.187 0.000 1.105 231 R CB 1.085 31.480 30.300 0.159 0.000 1.008 231 R HN 0.180 nan 8.270 nan 0.000 0.472 232 M N 1.486 121.183 119.600 0.162 0.000 2.359 232 M HA 0.177 4.660 4.480 0.004 0.000 0.322 232 M C 0.032 176.423 176.300 0.151 0.000 1.166 232 M CA -0.278 55.119 55.300 0.162 0.000 1.067 232 M CB 1.553 34.270 32.600 0.194 0.000 1.523 232 M HN 0.788 nan 8.290 nan 0.000 0.467 233 T N -0.024 114.611 114.554 0.135 0.000 2.874 233 T HA 0.212 4.564 4.350 0.004 0.000 0.281 233 T C 0.680 175.458 174.700 0.129 0.000 0.994 233 T CA -0.665 61.513 62.100 0.128 0.000 1.015 233 T CB 0.826 69.758 68.868 0.107 0.000 1.028 233 T HN 0.810 nan 8.240 nan 0.000 0.523 234 N N 0.160 118.951 118.700 0.153 0.000 2.223 234 N HA -0.036 4.707 4.740 0.004 0.000 0.185 234 N C 1.641 177.195 175.510 0.073 0.000 1.016 234 N CA 1.096 54.257 53.050 0.186 0.000 0.863 234 N CB -0.592 38.058 38.487 0.272 0.000 0.983 234 N HN 0.696 nan 8.380 nan 0.000 0.429 235 I N 0.256 120.848 120.570 0.036 0.000 2.202 235 I HA -0.270 3.902 4.170 0.004 0.000 0.242 235 I C 2.057 178.112 176.117 -0.104 0.000 1.091 235 I CA 1.042 62.310 61.300 -0.054 0.000 1.368 235 I CB -0.271 37.724 38.000 -0.008 0.000 1.058 235 I HN 0.256 nan 8.210 nan 0.000 0.410 236 Q N 0.638 120.415 119.800 -0.039 0.000 2.084 236 Q HA -0.164 4.178 4.340 0.004 0.000 0.202 236 Q C 2.423 178.323 176.000 -0.167 0.000 0.978 236 Q CA 1.779 57.547 55.803 -0.058 0.000 0.844 236 Q CB -0.302 28.460 28.738 0.040 0.000 0.898 236 Q HN 0.552 nan 8.270 nan 0.000 0.426 237 A N 1.039 123.802 122.820 -0.094 0.000 1.933 237 A HA -0.107 4.215 4.320 0.004 0.000 0.218 237 A C 2.287 179.630 177.584 -0.402 0.000 1.175 237 A CA 1.513 53.465 52.037 -0.142 0.000 0.628 237 A CB -0.783 18.320 19.000 0.173 0.000 0.814 237 A HN 0.394 nan 8.150 nan 0.000 0.444 238 A N -0.009 122.542 122.820 -0.449 0.000 1.902 238 A HA -0.075 4.248 4.320 0.004 0.000 0.217 238 A C 2.102 179.427 177.584 -0.432 0.000 1.181 238 A CA 1.546 53.074 52.037 -0.849 0.000 0.623 238 A CB -0.576 17.681 19.000 -1.239 0.000 0.818 238 A HN 0.497 nan 8.150 nan 0.000 0.443 239 I N -0.419 119.928 120.570 -0.371 0.000 2.252 239 I HA -0.151 4.022 4.170 0.004 0.000 0.245 239 I C 2.681 178.547 176.117 -0.419 0.000 1.102 239 I CA 1.016 62.141 61.300 -0.292 0.000 1.385 239 I CB -0.566 37.301 38.000 -0.223 0.000 1.064 239 I HN 0.385 nan 8.210 nan 0.000 0.414 240 G N 1.102 109.457 108.800 -0.741 0.000 2.418 240 G HA2 -0.251 3.712 3.960 0.004 0.000 0.217 240 G HA3 -0.251 3.712 3.960 0.004 0.000 0.217 240 G C 1.642 175.881 174.900 -1.103 0.000 1.158 240 G CA 0.549 44.889 45.100 -1.266 0.000 0.771 240 G HN 0.233 nan 8.290 nan 0.000 0.545 241 L N 1.533 122.210 121.223 -0.910 0.000 2.012 241 L HA 0.069 4.411 4.340 0.004 0.000 0.210 241 L C 3.057 179.939 176.870 0.020 0.000 1.073 241 L CA 2.319 57.025 54.840 -0.224 0.000 0.748 241 L CB -0.826 41.240 42.059 0.010 0.000 0.891 241 L HN 0.238 nan 8.230 nan 0.000 0.431 242 A N -1.387 121.474 122.820 0.070 0.000 1.972 242 A HA -0.213 4.109 4.320 0.004 0.000 0.219 242 A C 2.165 179.731 177.584 -0.031 0.000 1.169 242 A CA 1.627 53.676 52.037 0.021 0.000 0.635 242 A CB -0.478 18.424 19.000 -0.163 0.000 0.810 242 A HN 0.658 nan 8.150 nan 0.000 0.446 243 Q N -1.131 118.625 119.800 -0.073 0.000 2.049 243 Q HA -0.112 4.230 4.340 0.004 0.000 0.198 243 Q C 2.124 178.158 176.000 0.057 0.000 0.971 243 Q CA 1.346 57.161 55.803 0.020 0.000 0.833 243 Q CB -0.453 28.253 28.738 -0.052 0.000 0.896 243 Q HN 0.596 nan 8.270 nan 0.000 0.434 244 L N 1.630 122.860 121.223 0.012 0.000 2.191 244 L HA -0.152 4.191 4.340 0.004 0.000 0.212 244 L C 1.897 178.742 176.870 -0.041 0.000 1.103 244 L CA 1.583 56.421 54.840 -0.003 0.000 0.769 244 L CB -0.256 41.875 42.059 0.120 0.000 0.908 244 L HN 0.165 nan 8.230 nan 0.000 0.438 245 E N -0.471 119.732 120.200 0.004 0.000 2.160 245 E HA -0.181 4.172 4.350 0.004 0.000 0.195 245 E C 1.059 177.624 176.600 -0.058 0.000 0.991 245 E CA 1.023 57.425 56.400 0.002 0.000 0.810 245 E CB 0.065 29.788 29.700 0.037 0.000 0.742 245 E HN 0.475 nan 8.360 nan 0.000 0.466 246 R N -0.048 120.387 120.500 -0.107 0.000 2.700 246 R HA 0.118 4.460 4.340 0.004 0.000 0.399 246 R C 1.295 177.423 176.300 -0.287 0.000 1.115 246 R CA -0.152 55.797 56.100 -0.252 0.000 1.058 246 R CB 0.807 30.833 30.300 -0.457 0.000 1.389 246 R HN -0.008 nan 8.270 nan 0.000 0.582 247 V N 0.803 120.649 119.914 -0.114 0.000 2.332 247 V HA -0.276 3.846 4.120 0.004 0.000 0.248 247 V C 1.402 177.505 176.094 0.016 0.000 1.055 247 V CA 2.171 64.452 62.300 -0.032 0.000 1.038 247 V CB 0.019 31.724 31.823 -0.197 0.000 0.651 247 V HN 0.359 nan 8.190 nan 0.000 0.450 248 D N -0.450 119.946 120.400 -0.006 0.000 2.117 248 D HA -0.160 4.482 4.640 0.004 0.000 0.197 248 D C 2.113 178.420 176.300 0.013 0.000 0.987 248 D CA 1.650 55.676 54.000 0.043 0.000 0.829 248 D CB -0.065 40.766 40.800 0.052 0.000 0.961 248 D HN 0.609 nan 8.370 nan 0.000 0.460 249 E N 0.135 120.289 120.200 -0.077 0.000 2.031 249 E HA -0.160 4.192 4.350 0.004 0.000 0.193 249 E C 2.117 178.699 176.600 -0.031 0.000 0.994 249 E CA 0.966 57.305 56.400 -0.102 0.000 0.800 249 E CB -0.382 29.192 29.700 -0.210 0.000 0.752 249 E HN 0.405 nan 8.360 nan 0.000 0.447 250 H N 0.081 119.181 119.070 0.050 0.000 2.387 250 H HA -0.055 4.504 4.556 0.004 0.000 0.299 250 H C 2.211 177.596 175.328 0.096 0.000 1.099 250 H CA 1.006 57.098 56.048 0.073 0.000 1.315 250 H CB -0.437 29.373 29.762 0.081 0.000 1.380 250 H HN 0.141 nan 8.280 nan 0.000 0.513 251 L N -0.078 121.271 121.223 0.209 0.000 2.056 251 L HA -0.117 4.226 4.340 0.004 0.000 0.207 251 L C 2.810 179.757 176.870 0.129 0.000 1.078 251 L CA 0.873 55.828 54.840 0.191 0.000 0.749 251 L CB -0.474 41.699 42.059 0.190 0.000 0.901 251 L HN 0.225 nan 8.230 nan 0.000 0.433 252 A N 0.133 123.005 122.820 0.086 0.000 1.883 252 A HA -0.226 4.096 4.320 0.004 0.000 0.217 252 A C 2.534 180.121 177.584 0.005 0.000 1.186 252 A CA 1.851 53.909 52.037 0.035 0.000 0.624 252 A CB -0.783 18.226 19.000 0.016 0.000 0.822 252 A HN 0.412 nan 8.150 nan 0.000 0.444 253 A N -0.660 122.185 122.820 0.040 0.000 1.908 253 A HA -0.209 4.113 4.320 0.004 0.000 0.218 253 A C 2.279 179.851 177.584 -0.020 0.000 1.181 253 A CA 1.819 53.867 52.037 0.019 0.000 0.627 253 A CB -0.477 18.582 19.000 0.098 0.000 0.818 253 A HN 0.536 nan 8.150 nan 0.000 0.445 254 R N -1.026 119.504 120.500 0.050 0.000 2.090 254 R HA -0.091 4.251 4.340 0.004 0.000 0.228 254 R C 2.197 178.485 176.300 -0.020 0.000 1.110 254 R CA 1.439 57.572 56.100 0.056 0.000 0.973 254 R CB -0.173 30.228 30.300 0.168 0.000 0.869 254 R HN 0.730 nan 8.270 nan 0.000 0.440 255 E N -0.078 120.112 120.200 -0.017 0.000 2.106 255 E HA -0.199 4.154 4.350 0.004 0.000 0.192 255 E C 1.968 178.416 176.600 -0.253 0.000 0.984 255 E CA 0.860 57.212 56.400 -0.079 0.000 0.806 255 E CB 0.151 29.837 29.700 -0.022 0.000 0.750 255 E HN 0.117 nan 8.360 nan 0.000 0.458 256 R N -0.184 120.126 120.500 -0.315 0.000 2.094 256 R HA -0.178 4.164 4.340 0.004 0.000 0.239 256 R C 2.216 177.925 176.300 -0.985 0.000 1.137 256 R CA 1.761 57.482 56.100 -0.631 0.000 0.943 256 R CB -0.352 29.618 30.300 -0.550 0.000 0.850 256 R HN 0.065 nan 8.270 nan 0.000 0.433 257 V N -0.043 119.492 119.914 -0.631 0.000 2.332 257 V HA -0.259 3.864 4.120 0.004 0.000 0.248 257 V C 2.294 178.174 176.094 -0.356 0.000 1.055 257 V CA 1.891 63.925 62.300 -0.442 0.000 1.038 257 V CB -0.434 31.301 31.823 -0.146 0.000 0.651 257 V HN 0.215 nan 8.190 nan 0.000 0.450 258 V N 1.067 120.809 119.914 -0.286 0.000 2.392 258 V HA -0.209 3.914 4.120 0.004 0.000 0.249 258 V C 2.635 178.562 176.094 -0.279 0.000 1.059 258 V CA 2.141 64.266 62.300 -0.290 0.000 1.051 258 V CB -1.583 29.950 31.823 -0.484 0.000 0.658 258 V HN 0.611 nan 8.190 nan 0.000 0.455 259 G N -0.771 107.816 108.800 -0.355 0.000 2.459 259 G HA2 -0.245 3.717 3.960 0.004 0.000 0.217 259 G HA3 -0.245 3.717 3.960 0.004 0.000 0.217 259 G C 1.274 176.045 174.900 -0.216 0.000 1.183 259 G CA 0.913 45.832 45.100 -0.302 0.000 0.776 259 G HN 0.474 nan 8.290 nan 0.000 0.552 260 W N 0.278 121.459 121.300 -0.199 0.000 2.317 260 W HA -0.072 4.590 4.660 0.003 0.000 0.318 260 W C 2.408 178.766 176.519 -0.268 0.000 1.227 260 W CA 0.776 57.972 57.345 -0.248 0.000 1.269 260 W CB -1.523 27.733 29.460 -0.341 0.000 1.155 260 W HN 0.243 nan 8.180 nan 0.000 0.484 261 Y N 0.397 120.605 120.300 -0.153 0.000 2.114 261 Y HA -0.257 4.296 4.550 0.004 0.000 0.282 261 Y C 2.556 178.319 175.900 -0.227 0.000 1.165 261 Y CA 2.039 59.907 58.100 -0.387 0.000 1.148 261 Y CB -1.169 36.617 38.460 -1.123 0.000 0.972 261 Y HN 0.088 nan 8.280 nan 0.000 0.504 262 E N -0.334 119.866 120.200 -0.000 0.000 2.058 262 E HA -0.281 4.071 4.350 0.004 0.000 0.194 262 E C 2.117 178.750 176.600 0.055 0.000 0.997 262 E CA 1.522 57.961 56.400 0.065 0.000 0.801 262 E CB -0.141 29.576 29.700 0.028 0.000 0.746 262 E HN 0.576 nan 8.360 nan 0.000 0.450 263 Q N -0.192 119.634 119.800 0.043 0.000 2.224 263 Q HA -0.139 4.204 4.340 0.004 0.000 0.203 263 Q C 1.395 177.423 176.000 0.047 0.000 0.970 263 Q CA 1.250 57.086 55.803 0.054 0.000 0.865 263 Q CB 0.167 28.959 28.738 0.091 0.000 0.922 263 Q HN 0.091 nan 8.270 nan 0.000 0.445 264 K N -0.902 119.522 120.400 0.041 0.000 2.412 264 K HA 0.098 4.421 4.320 0.004 0.000 0.202 264 K C 1.274 177.896 176.600 0.037 0.000 1.102 264 K CA -0.155 56.145 56.287 0.021 0.000 1.027 264 K CB 0.430 32.921 32.500 -0.016 0.000 0.931 264 K HN -0.036 nan 8.250 nan 0.000 0.557 265 L N 1.687 122.950 121.223 0.066 0.000 2.201 265 L HA -0.049 4.293 4.340 0.004 0.000 0.212 265 L C 2.201 179.112 176.870 0.069 0.000 1.105 265 L CA 1.207 56.099 54.840 0.087 0.000 0.775 265 L CB -0.383 41.754 42.059 0.130 0.000 0.913 265 L HN 0.207 nan 8.230 nan 0.000 0.440 266 A N -0.188 122.667 122.820 0.059 0.000 1.958 266 A HA -0.332 3.991 4.320 0.004 0.000 0.221 266 A C 2.383 179.989 177.584 0.036 0.000 1.178 266 A CA 1.983 54.048 52.037 0.047 0.000 0.642 266 A CB -0.684 18.340 19.000 0.039 0.000 0.816 266 A HN 0.502 nan 8.150 nan 0.000 0.453 267 R N -0.114 120.404 120.500 0.030 0.000 2.211 267 R HA -0.059 4.284 4.340 0.004 0.000 0.240 267 R C 1.205 177.519 176.300 0.024 0.000 1.144 267 R CA 1.545 57.657 56.100 0.021 0.000 0.992 267 R CB -0.580 29.726 30.300 0.010 0.000 0.869 267 R HN 0.524 nan 8.270 nan 0.000 0.462 268 L N -0.272 120.971 121.223 0.034 0.000 2.592 268 L HA 0.329 4.671 4.340 0.004 0.000 0.227 268 L C 1.425 178.314 176.870 0.032 0.000 1.127 268 L CA 0.024 54.884 54.840 0.033 0.000 0.884 268 L CB -0.313 41.771 42.059 0.041 0.000 1.065 268 L HN 0.490 nan 8.230 nan 0.000 0.457 269 G N 2.344 111.164 108.800 0.033 0.000 2.596 269 G HA2 -0.443 3.519 3.960 0.004 0.000 0.295 269 G HA3 -0.443 3.519 3.960 0.004 0.000 0.295 269 G C 0.602 175.523 174.900 0.034 0.000 1.240 269 G CA 0.566 45.684 45.100 0.030 0.000 0.985 269 G HN 0.571 nan 8.290 nan 0.000 0.555 270 N N 1.214 119.931 118.700 0.028 0.000 2.501 270 N HA 0.043 4.786 4.740 0.004 0.000 0.195 270 N C 1.699 177.227 175.510 0.029 0.000 1.213 270 N CA 1.003 54.070 53.050 0.028 0.000 0.864 270 N CB -0.158 38.342 38.487 0.022 0.000 0.999 270 N HN 0.718 nan 8.380 nan 0.000 0.454 271 R N -0.126 120.393 120.500 0.031 0.000 2.189 271 R HA 0.053 4.395 4.340 0.004 0.000 0.218 271 R C 0.396 176.718 176.300 0.036 0.000 1.074 271 R CA 0.797 56.915 56.100 0.030 0.000 0.991 271 R CB 0.095 30.412 30.300 0.027 0.000 0.883 271 R HN 0.328 nan 8.270 nan 0.000 0.457 272 V N -3.834 116.106 119.914 0.044 0.000 3.114 272 V HA 0.488 4.611 4.120 0.004 0.000 0.308 272 V C -0.622 175.507 176.094 0.058 0.000 1.168 272 V CA -0.980 61.352 62.300 0.053 0.000 1.015 272 V CB 2.323 34.185 31.823 0.065 0.000 1.050 272 V HN -0.221 nan 8.190 nan 0.000 0.433 273 T N 2.948 117.540 114.554 0.062 0.000 2.779 273 T HA 0.451 4.804 4.350 0.004 0.000 0.280 273 T C -0.212 174.532 174.700 0.074 0.000 0.987 273 T CA -0.522 61.613 62.100 0.059 0.000 0.966 273 T CB 1.097 69.989 68.868 0.040 0.000 0.933 273 T HN 1.094 nan 8.240 nan 0.000 0.442 274 K N 4.514 124.964 120.400 0.083 0.000 2.202 274 K HA 0.297 4.619 4.320 0.004 0.000 0.264 274 K C -2.370 174.247 176.600 0.028 0.000 1.010 274 K CA -1.486 54.849 56.287 0.081 0.000 0.940 274 K CB 0.276 32.863 32.500 0.146 0.000 0.983 274 K HN 0.195 nan 8.250 nan 0.000 0.475 275 P HA -0.054 nan 4.420 nan 0.000 0.267 275 P C -1.017 176.346 177.300 0.106 0.000 1.209 275 P CA 0.192 63.301 63.100 0.015 0.000 0.763 275 P CB 0.300 31.948 31.700 -0.087 0.000 0.816 276 H N 3.306 122.398 119.070 0.037 0.000 2.803 276 H HA 0.215 4.774 4.556 0.004 0.000 0.330 276 H C -0.628 174.776 175.328 0.127 0.000 1.057 276 H CA 0.005 56.083 56.048 0.051 0.000 1.458 276 H CB 0.262 30.015 29.762 -0.015 0.000 1.470 276 H HN 0.030 nan 8.280 nan 0.000 0.560 277 V N 5.400 124.973 119.914 -0.568 0.000 2.347 277 V HA 0.469 4.592 4.120 0.004 0.000 0.280 277 V C 0.539 176.337 176.094 -0.494 0.000 1.021 277 V CA -0.553 61.572 62.300 -0.291 0.000 0.847 277 V CB 0.644 32.462 31.823 -0.008 0.000 0.990 277 V HN 1.046 nan 8.190 nan 0.000 0.444 278 A N 4.958 127.636 122.820 -0.236 0.000 2.407 278 A HA 0.578 4.901 4.320 0.004 0.000 0.248 278 A C 0.580 178.142 177.584 -0.037 0.000 1.082 278 A CA -0.363 51.628 52.037 -0.077 0.000 0.785 278 A CB 0.156 19.178 19.000 0.038 0.000 1.020 278 A HN 0.922 nan 8.150 nan 0.000 0.489 279 L N 2.074 123.292 121.223 -0.009 0.000 2.718 279 L HA 0.072 4.415 4.340 0.004 0.000 0.242 279 L C 1.586 178.422 176.870 -0.058 0.000 1.203 279 L CA 0.668 55.497 54.840 -0.018 0.000 1.011 279 L CB -0.953 41.105 42.059 -0.002 0.000 1.250 279 L HN 0.901 nan 8.230 nan 0.000 0.437 280 T N -3.557 110.948 114.554 -0.082 0.000 3.107 280 T HA 0.511 4.864 4.350 0.004 0.000 0.249 280 T C 0.839 175.412 174.700 -0.212 0.000 1.096 280 T CA 0.248 62.212 62.100 -0.227 0.000 1.012 280 T CB 0.523 69.202 68.868 -0.315 0.000 0.977 280 T HN 0.446 nan 8.240 nan 0.000 0.527 281 G N 0.734 109.489 108.800 -0.075 0.000 2.356 281 G HA2 0.301 4.264 3.960 0.004 0.000 0.288 281 G HA3 0.301 4.264 3.960 0.004 0.000 0.288 281 G C -1.727 173.189 174.900 0.028 0.000 1.302 281 G CA -1.253 43.828 45.100 -0.032 0.000 0.887 281 G HN 0.366 nan 8.290 nan 0.000 0.521 282 R N 0.300 120.831 120.500 0.051 0.000 2.347 282 R HA 0.328 4.670 4.340 0.004 0.000 0.304 282 R C -0.688 175.695 176.300 0.138 0.000 1.072 282 R CA -0.561 55.601 56.100 0.103 0.000 0.980 282 R CB 0.225 30.588 30.300 0.104 0.000 0.986 282 R HN 0.609 nan 8.270 nan 0.000 0.448 283 H N 5.400 124.490 119.070 0.033 0.000 2.652 283 H HA 0.088 4.646 4.556 0.004 0.000 0.298 283 H C 0.735 176.083 175.328 0.035 0.000 1.076 283 H CA -0.519 55.486 56.048 -0.073 0.000 1.360 283 H CB 1.320 30.939 29.762 -0.238 0.000 1.421 283 H HN 0.501 nan 8.280 nan 0.000 0.464 284 V N 2.896 123.044 119.914 0.390 0.000 3.573 284 V HA 0.114 4.236 4.120 0.004 0.000 0.270 284 V C 0.540 176.930 176.094 0.494 0.000 1.221 284 V CA -0.057 62.480 62.300 0.396 0.000 1.163 284 V CB -1.439 30.588 31.823 0.339 0.000 0.847 284 V HN 0.670 nan 8.190 nan 0.000 0.468 285 F N -0.185 120.061 119.950 0.493 0.000 2.797 285 F HA -0.218 4.312 4.527 0.004 0.000 0.273 285 F C 1.073 177.068 175.800 0.325 0.000 1.020 285 F CA 0.845 59.025 58.000 0.300 0.000 0.961 285 F CB -1.842 37.203 39.000 0.074 0.000 1.020 285 F HN 0.593 nan 8.300 nan 0.000 0.840 286 W N 1.362 122.884 121.300 0.370 0.000 2.363 286 W HA -0.005 4.657 4.660 0.003 0.000 0.296 286 W C 0.819 177.525 176.519 0.312 0.000 1.212 286 W CA 1.531 59.066 57.345 0.317 0.000 1.260 286 W CB 0.149 29.779 29.460 0.283 0.000 1.131 286 W HN 0.094 nan 8.180 nan 0.000 0.530 287 M N -0.280 119.281 119.600 -0.065 0.000 2.550 287 M HA 0.163 4.646 4.480 0.004 0.000 0.292 287 M C -1.790 174.552 176.300 0.070 0.000 1.221 287 M CA -1.168 53.940 55.300 -0.320 0.000 0.873 287 M CB 1.303 33.501 32.600 -0.671 0.000 1.727 287 M HN -0.127 nan 8.290 nan 0.000 0.459 288 Y N 1.216 121.441 120.300 -0.124 0.000 2.385 288 Y HA 0.505 5.057 4.550 0.004 0.000 0.341 288 Y C -0.622 175.125 175.900 -0.255 0.000 0.965 288 Y CA -0.012 58.037 58.100 -0.085 0.000 1.180 288 Y CB 0.880 39.075 38.460 -0.440 0.000 1.139 288 Y HN 0.571 nan 8.280 nan 0.000 0.502 289 T N 6.813 121.172 114.554 -0.325 0.000 2.792 289 T HA 0.536 4.888 4.350 0.004 0.000 0.280 289 T C -0.580 174.040 174.700 -0.133 0.000 0.990 289 T CA -0.680 61.220 62.100 -0.333 0.000 0.960 289 T CB 0.704 69.161 68.868 -0.685 0.000 0.939 289 T HN 0.540 nan 8.240 nan 0.000 0.439 290 V N 1.487 121.362 119.914 -0.066 0.000 2.881 290 V HA 0.723 4.845 4.120 0.004 0.000 0.316 290 V C -0.466 175.683 176.094 0.092 0.000 1.070 290 V CA -1.400 60.927 62.300 0.045 0.000 0.976 290 V CB 1.634 33.490 31.823 0.055 0.000 1.038 290 V HN 0.763 nan 8.190 nan 0.000 0.446 291 R N 2.724 123.301 120.500 0.128 0.000 2.295 291 R HA 0.595 4.938 4.340 0.004 0.000 0.324 291 R C -0.913 175.429 176.300 0.069 0.000 0.968 291 R CA -0.662 55.511 56.100 0.122 0.000 0.837 291 R CB 1.620 32.004 30.300 0.140 0.000 1.133 291 R HN 0.696 nan 8.270 nan 0.000 0.450 292 L N 2.046 123.300 121.223 0.050 0.000 2.426 292 L HA 0.209 4.552 4.340 0.004 0.000 0.271 292 L C 1.321 178.214 176.870 0.037 0.000 1.169 292 L CA -0.251 54.611 54.840 0.037 0.000 0.836 292 L CB 0.497 42.572 42.059 0.026 0.000 1.112 292 L HN 0.724 nan 8.230 nan 0.000 0.465 293 G N 1.587 110.407 108.800 0.033 0.000 2.484 293 G HA2 0.070 4.032 3.960 0.004 0.000 0.235 293 G HA3 0.070 4.032 3.960 0.004 0.000 0.235 293 G C 0.632 175.548 174.900 0.026 0.000 1.282 293 G CA -0.423 44.694 45.100 0.029 0.000 0.857 293 G HN 0.869 nan 8.290 nan 0.000 0.571 294 E N 1.377 121.592 120.200 0.025 0.000 2.347 294 E HA 0.007 4.360 4.350 0.004 0.000 0.196 294 E C 2.338 178.950 176.600 0.020 0.000 1.008 294 E CA 0.807 57.221 56.400 0.023 0.000 0.852 294 E CB -0.076 29.637 29.700 0.022 0.000 0.783 294 E HN 0.498 nan 8.360 nan 0.000 0.505 295 G N 1.245 110.056 108.800 0.019 0.000 2.422 295 G HA2 -0.096 3.867 3.960 0.004 0.000 0.218 295 G HA3 -0.096 3.867 3.960 0.004 0.000 0.218 295 G C 0.644 175.554 174.900 0.016 0.000 1.140 295 G CA -0.078 45.032 45.100 0.016 0.000 0.775 295 G HN 0.129 nan 8.290 nan 0.000 0.545 296 L N 1.002 122.236 121.223 0.018 0.000 2.536 296 L HA -0.011 4.331 4.340 0.004 0.000 0.294 296 L C 1.643 178.523 176.870 0.015 0.000 1.257 296 L CA -0.166 54.684 54.840 0.017 0.000 0.850 296 L CB 0.681 42.750 42.059 0.018 0.000 1.105 296 L HN 0.081 nan 8.230 nan 0.000 0.517 297 S N -0.830 114.879 115.700 0.014 0.000 2.470 297 S HA -0.033 4.439 4.470 0.004 0.000 0.222 297 S C 0.806 175.415 174.600 0.014 0.000 1.024 297 S CA 0.143 58.351 58.200 0.013 0.000 0.931 297 S CB 0.204 63.411 63.200 0.011 0.000 0.791 297 S HN 0.794 nan 8.310 nan 0.000 0.513 298 T N 2.757 117.319 114.554 0.014 0.000 2.726 298 T HA 0.348 4.701 4.350 0.004 0.000 0.294 298 T C 0.324 175.034 174.700 0.016 0.000 1.013 298 T CA 0.003 62.111 62.100 0.014 0.000 0.996 298 T CB 0.529 69.405 68.868 0.013 0.000 1.016 298 T HN 0.432 nan 8.240 nan 0.000 0.529 299 T N 0.206 114.770 114.554 0.017 0.000 2.942 299 T HA 0.461 4.813 4.350 0.004 0.000 0.289 299 T C 1.147 175.857 174.700 0.017 0.000 1.044 299 T CA -1.026 61.086 62.100 0.020 0.000 1.023 299 T CB 1.479 70.361 68.868 0.023 0.000 1.123 299 T HN 0.449 nan 8.240 nan 0.000 0.512 300 R N 0.403 120.913 120.500 0.016 0.000 2.105 300 R HA -0.119 4.223 4.340 0.004 0.000 0.239 300 R C 1.012 177.315 176.300 0.005 0.000 1.135 300 R CA 1.805 57.908 56.100 0.006 0.000 0.967 300 R CB -0.904 29.396 30.300 0.000 0.000 0.861 300 R HN 0.725 nan 8.270 nan 0.000 0.442 301 D N 0.084 120.494 120.400 0.017 0.000 2.144 301 D HA -0.153 4.489 4.640 0.004 0.000 0.200 301 D C 1.854 178.165 176.300 0.018 0.000 0.978 301 D CA 0.985 54.998 54.000 0.022 0.000 0.833 301 D CB -0.128 40.696 40.800 0.039 0.000 0.961 301 D HN 0.184 nan 8.370 nan 0.000 0.470 302 Q N 0.619 120.429 119.800 0.017 0.000 2.079 302 Q HA -0.067 4.276 4.340 0.004 0.000 0.200 302 Q C 2.017 178.024 176.000 0.011 0.000 0.974 302 Q CA 0.930 56.741 55.803 0.015 0.000 0.840 302 Q CB -0.366 28.381 28.738 0.014 0.000 0.898 302 Q HN 0.078 nan 8.270 nan 0.000 0.430 303 V N 0.644 120.564 119.914 0.009 0.000 2.392 303 V HA -0.281 3.841 4.120 0.004 0.000 0.249 303 V C 2.241 178.338 176.094 0.004 0.000 1.059 303 V CA 1.839 64.143 62.300 0.006 0.000 1.051 303 V CB -0.568 31.257 31.823 0.004 0.000 0.658 303 V HN 0.414 nan 8.190 nan 0.000 0.455 304 I N -0.640 119.931 120.570 0.002 0.000 2.226 304 I HA -0.259 3.914 4.170 0.004 0.000 0.245 304 I C 2.573 178.695 176.117 0.008 0.000 1.100 304 I CA 1.630 62.931 61.300 0.001 0.000 1.374 304 I CB -0.413 37.587 38.000 -0.000 0.000 1.057 304 I HN 0.305 nan 8.210 nan 0.000 0.413 305 K N 0.633 121.040 120.400 0.012 0.000 2.002 305 K HA -0.190 4.133 4.320 0.004 0.000 0.209 305 K C 1.736 178.343 176.600 0.011 0.000 1.048 305 K CA 1.732 58.027 56.287 0.014 0.000 0.930 305 K CB -0.217 32.291 32.500 0.015 0.000 0.714 305 K HN 0.252 nan 8.250 nan 0.000 0.438 306 D N 1.093 121.499 120.400 0.010 0.000 2.123 306 D HA -0.155 4.488 4.640 0.004 0.000 0.196 306 D C 1.929 178.234 176.300 0.008 0.000 0.992 306 D CA 1.038 55.043 54.000 0.009 0.000 0.833 306 D CB -0.243 40.562 40.800 0.008 0.000 0.954 306 D HN 0.140 nan 8.370 nan 0.000 0.455 307 L N 0.347 121.575 121.223 0.008 0.000 2.141 307 L HA -0.147 4.195 4.340 0.004 0.000 0.209 307 L C 2.111 178.987 176.870 0.011 0.000 1.094 307 L CA 1.074 55.920 54.840 0.009 0.000 0.763 307 L CB -0.286 41.778 42.059 0.009 0.000 0.908 307 L HN -0.016 nan 8.230 nan 0.000 0.437 308 D N 0.281 120.688 120.400 0.012 0.000 2.097 308 D HA -0.179 4.464 4.640 0.004 0.000 0.197 308 D C 2.195 178.503 176.300 0.012 0.000 0.984 308 D CA 1.258 55.267 54.000 0.014 0.000 0.826 308 D CB 0.131 40.941 40.800 0.016 0.000 0.973 308 D HN 0.196 nan 8.370 nan 0.000 0.460 309 A N 0.019 122.845 122.820 0.010 0.000 2.024 309 A HA -0.069 4.254 4.320 0.004 0.000 0.220 309 A C 2.093 179.680 177.584 0.006 0.000 1.164 309 A CA 0.970 53.012 52.037 0.008 0.000 0.643 309 A CB -0.727 18.278 19.000 0.008 0.000 0.806 309 A HN 0.426 nan 8.150 nan 0.000 0.451 310 L N -1.042 120.185 121.223 0.006 0.000 2.629 310 L HA 0.258 4.601 4.340 0.004 0.000 0.230 310 L C 1.453 178.325 176.870 0.003 0.000 1.151 310 L CA 0.408 55.249 54.840 0.003 0.000 0.924 310 L CB -0.219 41.841 42.059 0.001 0.000 1.137 310 L HN 0.530 nan 8.230 nan 0.000 0.457 311 G N 0.999 109.803 108.800 0.007 0.000 2.147 311 G HA2 -0.284 3.679 3.960 0.004 0.000 0.244 311 G HA3 -0.284 3.679 3.960 0.004 0.000 0.244 311 G C 0.004 174.912 174.900 0.014 0.000 1.005 311 G CA -0.116 44.990 45.100 0.009 0.000 0.713 311 G HN 0.329 nan 8.290 nan 0.000 0.515 312 I N 0.664 121.243 120.570 0.015 0.000 2.382 312 I HA 0.326 4.498 4.170 0.004 0.000 0.286 312 I C 0.167 176.298 176.117 0.024 0.000 1.002 312 I CA -0.704 60.609 61.300 0.022 0.000 1.135 312 I CB 1.518 39.529 38.000 0.018 0.000 1.288 312 I HN 0.085 nan 8.210 nan 0.000 0.448 313 E N 4.669 124.889 120.200 0.033 0.000 2.313 313 E HA 0.428 4.781 4.350 0.004 0.000 0.276 313 E C -0.519 176.094 176.600 0.022 0.000 1.031 313 E CA -0.130 56.288 56.400 0.031 0.000 0.857 313 E CB 1.181 30.905 29.700 0.040 0.000 1.040 313 E HN 0.642 nan 8.360 nan 0.000 0.408 314 S N 3.043 118.746 115.700 0.004 0.000 2.607 314 S HA 0.671 5.143 4.470 0.004 0.000 0.273 314 S C -0.932 173.646 174.600 -0.037 0.000 1.148 314 S CA -1.234 56.950 58.200 -0.026 0.000 0.833 314 S CB 1.739 64.921 63.200 -0.031 0.000 1.130 314 S HN 0.286 nan 8.310 nan 0.000 0.470 315 R N 0.763 121.213 120.500 -0.083 0.000 2.744 315 R HA 0.647 4.990 4.340 0.004 0.000 0.279 315 R C -3.116 173.089 176.300 -0.158 0.000 0.977 315 R CA -2.229 53.816 56.100 -0.091 0.000 0.906 315 R CB 1.893 32.142 30.300 -0.085 0.000 1.197 315 R HN 0.579 nan 8.270 nan 0.000 0.463 316 P HA 0.105 nan 4.420 nan 0.000 0.275 316 P C 0.090 177.196 177.300 -0.322 0.000 1.228 316 P CA -0.352 62.627 63.100 -0.203 0.000 0.786 316 P CB 0.869 32.456 31.700 -0.188 0.000 0.927 317 V N 3.986 123.704 119.914 -0.327 0.000 2.872 317 V HA -0.061 4.061 4.120 0.004 0.000 0.307 317 V C 0.894 176.787 176.094 -0.336 0.000 1.072 317 V CA 0.322 62.394 62.300 -0.381 0.000 1.148 317 V CB -0.971 30.702 31.823 -0.251 0.000 0.954 317 V HN 0.350 nan 8.190 nan 0.000 0.490 318 F N 3.623 123.597 119.950 0.039 0.000 2.646 318 F HA 0.024 4.553 4.527 0.004 0.000 0.363 318 F C 1.138 176.884 175.800 -0.090 0.000 1.143 318 F CA 0.321 58.318 58.000 -0.005 0.000 1.356 318 F CB -0.324 38.726 39.000 0.082 0.000 1.055 318 F HN 0.466 nan 8.300 nan 0.000 0.606 319 H N 2.832 122.037 119.070 0.226 0.000 2.767 319 H HA 0.165 4.724 4.556 0.004 0.000 0.316 319 H C -2.011 173.382 175.328 0.109 0.000 1.059 319 H CA -1.771 54.346 56.048 0.113 0.000 1.461 319 H CB 0.414 30.213 29.762 0.061 0.000 1.475 319 H HN 0.181 nan 8.280 nan 0.000 0.531 320 P HA -0.077 nan 4.420 nan 0.000 0.266 320 P C 1.370 178.711 177.300 0.068 0.000 1.193 320 P CA -0.178 62.995 63.100 0.121 0.000 0.770 320 P CB 0.777 32.529 31.700 0.087 0.000 0.836 321 M N 2.062 121.717 119.600 0.093 0.000 2.082 321 M HA -0.194 4.288 4.480 0.004 0.000 0.258 321 M C 1.971 178.352 176.300 0.134 0.000 1.069 321 M CA 2.076 57.436 55.300 0.100 0.000 1.102 321 M CB -1.951 30.636 32.600 -0.022 0.000 1.336 321 M HN 0.576 nan 8.290 nan 0.000 0.404 322 H N 0.616 119.708 119.070 0.036 0.000 2.567 322 H HA -0.004 4.554 4.556 0.004 0.000 0.276 322 H C 1.620 176.971 175.328 0.039 0.000 1.016 322 H CA 1.246 57.310 56.048 0.028 0.000 1.186 322 H CB -0.921 28.835 29.762 -0.010 0.000 1.351 322 H HN 0.645 nan 8.280 nan 0.000 0.605 323 I N -2.936 117.427 120.570 -0.345 0.000 3.941 323 I HA 0.259 4.431 4.170 0.004 0.000 0.321 323 I C 0.419 176.471 176.117 -0.108 0.000 1.284 323 I CA -0.293 60.855 61.300 -0.252 0.000 1.226 323 I CB 0.211 38.043 38.000 -0.280 0.000 1.045 323 I HN -0.091 nan 8.210 nan 0.000 0.420 324 M N 1.557 121.124 119.600 -0.056 0.000 2.409 324 M HA 0.385 4.867 4.480 0.004 0.000 0.329 324 M C -1.597 174.680 176.300 -0.038 0.000 1.180 324 M CA -1.607 53.664 55.300 -0.049 0.000 1.053 324 M CB 0.832 33.413 32.600 -0.031 0.000 1.586 324 M HN -0.282 nan 8.290 nan 0.000 0.461 325 P HA -0.163 nan 4.420 nan 0.000 0.217 325 P C -1.497 175.747 177.300 -0.093 0.000 1.158 325 P CA 1.709 64.772 63.100 -0.062 0.000 0.887 325 P CB -1.188 30.468 31.700 -0.073 0.000 0.792 326 P HA -0.091 nan 4.420 nan 0.000 0.223 326 P C 0.453 177.462 177.300 -0.485 0.000 1.151 326 P CA 1.379 64.219 63.100 -0.435 0.000 0.787 326 P CB -0.221 31.042 31.700 -0.729 0.000 0.788 327 Y N -2.488 117.838 120.300 0.043 0.000 2.675 327 Y HA 0.506 5.059 4.550 0.004 0.000 0.248 327 Y C 1.948 177.786 175.900 -0.104 0.000 1.161 327 Y CA -0.754 57.296 58.100 -0.082 0.000 1.203 327 Y CB -0.745 37.647 38.460 -0.114 0.000 1.262 327 Y HN -0.154 nan 8.280 nan 0.000 0.544 328 A N 0.248 123.143 122.820 0.125 0.000 2.019 328 A HA -0.214 4.108 4.320 0.004 0.000 0.219 328 A C 1.953 179.601 177.584 0.108 0.000 1.164 328 A CA 2.010 54.108 52.037 0.103 0.000 0.644 328 A CB -0.900 18.143 19.000 0.073 0.000 0.805 328 A HN 0.655 nan 8.150 nan 0.000 0.449 329 H N -0.835 118.277 119.070 0.070 0.000 2.561 329 H HA 0.113 4.672 4.556 0.004 0.000 0.278 329 H C 1.182 176.551 175.328 0.067 0.000 1.014 329 H CA 0.962 57.044 56.048 0.057 0.000 1.211 329 H CB -0.477 29.308 29.762 0.038 0.000 1.365 329 H HN 0.468 nan 8.280 nan 0.000 0.594 330 L N 0.734 121.775 121.223 -0.304 0.000 2.640 330 L HA 0.376 4.718 4.340 0.004 0.000 0.230 330 L C 1.083 177.898 176.870 -0.091 0.000 1.123 330 L CA -0.163 54.539 54.840 -0.230 0.000 0.900 330 L CB 0.074 41.956 42.059 -0.295 0.000 1.146 330 L HN 0.175 nan 8.230 nan 0.000 0.484 331 A N 0.792 123.609 122.820 -0.005 0.000 2.483 331 A HA 0.415 4.738 4.320 0.004 0.000 0.238 331 A C 0.564 178.107 177.584 -0.067 0.000 1.070 331 A CA 0.404 52.441 52.037 0.000 0.000 0.770 331 A CB 0.135 19.224 19.000 0.147 0.000 1.008 331 A HN 0.331 nan 8.150 nan 0.000 0.497 332 T N -1.802 112.661 114.554 -0.152 0.000 2.838 332 T HA 0.520 4.873 4.350 0.004 0.000 0.292 332 T C 0.012 174.649 174.700 -0.105 0.000 1.113 332 T CA 0.047 62.081 62.100 -0.111 0.000 1.008 332 T CB 1.537 70.332 68.868 -0.121 0.000 1.259 332 T HN 0.583 nan 8.240 nan 0.000 0.520 333 D N -0.964 119.399 120.400 -0.063 0.000 2.340 333 D HA 0.096 4.739 4.640 0.004 0.000 0.220 333 D C 0.369 176.640 176.300 -0.048 0.000 1.039 333 D CA 0.054 54.031 54.000 -0.038 0.000 0.866 333 D CB -0.063 40.726 40.800 -0.018 0.000 0.913 333 D HN 0.537 nan 8.370 nan 0.000 0.523 334 D N -0.006 120.345 120.400 -0.081 0.000 2.772 334 D HA 0.195 4.838 4.640 0.004 0.000 0.272 334 D C 0.017 176.260 176.300 -0.094 0.000 1.314 334 D CA -0.222 53.736 54.000 -0.071 0.000 0.835 334 D CB -0.200 40.561 40.800 -0.064 0.000 1.080 334 D HN 0.153 nan 8.370 nan 0.000 0.482 335 L N 0.336 121.486 121.223 -0.121 0.000 3.218 335 L HA 0.303 4.645 4.340 0.004 0.000 0.279 335 L C 1.658 178.538 176.870 0.016 0.000 1.287 335 L CA -0.152 54.608 54.840 -0.134 0.000 1.024 335 L CB 0.580 42.343 42.059 -0.492 0.000 1.409 335 L HN -0.174 nan 8.230 nan 0.000 0.580 336 K N 0.337 120.751 120.400 0.022 0.000 2.097 336 K HA -0.036 4.287 4.320 0.004 0.000 0.205 336 K C 1.831 178.472 176.600 0.068 0.000 1.050 336 K CA 1.116 57.437 56.287 0.057 0.000 0.938 336 K CB 0.189 32.709 32.500 0.033 0.000 0.718 336 K HN 0.172 nan 8.250 nan 0.000 0.442 337 I N 1.232 121.833 120.570 0.052 0.000 2.315 337 I HA -0.163 4.009 4.170 0.004 0.000 0.248 337 I C 2.412 178.593 176.117 0.107 0.000 1.117 337 I CA 1.155 62.492 61.300 0.062 0.000 1.404 337 I CB -1.515 36.508 38.000 0.038 0.000 1.071 337 I HN 0.074 nan 8.210 nan 0.000 0.419 338 A N 1.045 123.938 122.820 0.122 0.000 1.908 338 A HA -0.212 4.110 4.320 0.004 0.000 0.218 338 A C 2.259 179.952 177.584 0.182 0.000 1.181 338 A CA 1.662 53.801 52.037 0.170 0.000 0.627 338 A CB -0.634 18.474 19.000 0.180 0.000 0.818 338 A HN 0.506 nan 8.150 nan 0.000 0.445 339 E N -0.170 120.140 120.200 0.184 0.000 2.077 339 E HA -0.105 4.247 4.350 0.004 0.000 0.193 339 E C 2.311 178.981 176.600 0.117 0.000 0.989 339 E CA 0.932 57.421 56.400 0.148 0.000 0.800 339 E CB -0.339 29.451 29.700 0.150 0.000 0.746 339 E HN 0.616 nan 8.360 nan 0.000 0.452 340 A N 0.903 123.788 122.820 0.108 0.000 1.940 340 A HA -0.206 4.117 4.320 0.004 0.000 0.219 340 A C 2.396 180.047 177.584 0.112 0.000 1.176 340 A CA 1.251 53.343 52.037 0.092 0.000 0.631 340 A CB -0.852 18.192 19.000 0.074 0.000 0.814 340 A HN 0.362 nan 8.150 nan 0.000 0.446 341 C N -1.280 118.111 119.300 0.152 0.000 2.457 341 C HA 0.081 4.544 4.460 0.004 0.000 0.278 341 C C 2.966 178.048 174.990 0.154 0.000 1.309 341 C CA 0.510 59.662 59.018 0.223 0.000 1.735 341 C CB -1.473 26.470 27.740 0.338 0.000 1.992 341 C HN 0.706 nan 8.230 nan 0.000 0.493 342 G N -0.020 108.855 108.800 0.125 0.000 2.443 342 G HA2 -0.095 3.867 3.960 0.004 0.000 0.219 342 G HA3 -0.095 3.867 3.960 0.004 0.000 0.219 342 G C 1.637 176.554 174.900 0.029 0.000 1.131 342 G CA 1.146 46.283 45.100 0.062 0.000 0.775 342 G HN 0.406 nan 8.290 nan 0.000 0.547 343 V N 2.014 121.966 119.914 0.064 0.000 2.346 343 V HA -0.065 4.058 4.120 0.004 0.000 0.244 343 V C 2.294 178.411 176.094 0.038 0.000 1.037 343 V CA 2.206 64.538 62.300 0.054 0.000 1.029 343 V CB -0.082 31.779 31.823 0.062 0.000 0.663 343 V HN 0.639 nan 8.190 nan 0.000 0.454 344 D N -0.379 120.053 120.400 0.052 0.000 2.398 344 D HA 0.158 4.800 4.640 0.004 0.000 0.210 344 D C 0.921 177.246 176.300 0.042 0.000 1.094 344 D CA 0.356 54.385 54.000 0.047 0.000 0.839 344 D CB -0.123 40.712 40.800 0.059 0.000 0.963 344 D HN 0.301 nan 8.370 nan 0.000 0.506 345 G N 0.381 109.199 108.800 0.030 0.000 2.420 345 G HA2 0.516 4.479 3.960 0.004 0.000 0.284 345 G HA3 0.516 4.479 3.960 0.004 0.000 0.284 345 G C -1.152 173.668 174.900 -0.132 0.000 1.177 345 G CA -0.521 44.563 45.100 -0.027 0.000 0.841 345 G HN 0.228 nan 8.290 nan 0.000 0.527 346 L N 1.266 122.384 121.223 -0.175 0.000 2.505 346 L HA 0.426 4.768 4.340 0.004 0.000 0.266 346 L C -1.109 175.600 176.870 -0.268 0.000 0.954 346 L CA -0.931 53.796 54.840 -0.188 0.000 0.852 346 L CB 1.944 43.943 42.059 -0.100 0.000 1.282 346 L HN 0.426 nan 8.230 nan 0.000 0.403 347 N N 5.469 123.974 118.700 -0.326 0.000 2.499 347 N HA 0.489 5.232 4.740 0.004 0.000 0.281 347 N C -0.887 174.486 175.510 -0.229 0.000 1.098 347 N CA -0.195 52.628 53.050 -0.379 0.000 0.979 347 N CB 1.746 39.969 38.487 -0.440 0.000 1.121 347 N HN 0.568 nan 8.380 nan 0.000 0.466 348 L N 2.351 123.453 121.223 -0.202 0.000 2.344 348 L HA 0.455 4.797 4.340 0.004 0.000 0.272 348 L C -2.090 174.735 176.870 -0.074 0.000 1.035 348 L CA -2.169 52.594 54.840 -0.128 0.000 0.807 348 L CB 1.412 43.340 42.059 -0.218 0.000 1.237 348 L HN 0.169 nan 8.230 nan 0.000 0.442 349 P HA -0.023 nan 4.420 nan 0.000 0.260 349 P C -1.086 176.285 177.300 0.118 0.000 1.172 349 P CA 0.484 63.637 63.100 0.088 0.000 0.760 349 P CB 0.266 32.032 31.700 0.111 0.000 0.773 350 T N 3.017 117.612 114.554 0.070 0.000 3.078 350 T HA 0.494 4.847 4.350 0.004 0.000 0.328 350 T C -0.775 173.983 174.700 0.097 0.000 0.987 350 T CA -0.723 61.411 62.100 0.057 0.000 1.049 350 T CB 0.272 69.150 68.868 0.016 0.000 1.011 350 T HN 0.614 nan 8.240 nan 0.000 0.463 351 H N -0.539 118.563 119.070 0.054 0.000 3.037 351 H HA 0.712 5.270 4.556 0.004 0.000 0.336 351 H C 0.726 176.092 175.328 0.063 0.000 1.323 351 H CA -0.763 55.319 56.048 0.056 0.000 1.159 351 H CB 0.540 30.327 29.762 0.040 0.000 1.882 351 H HN 0.304 nan 8.280 nan 0.000 0.535 352 A N 1.339 124.267 122.820 0.180 0.000 2.186 352 A HA 0.035 4.358 4.320 0.004 0.000 0.219 352 A C 1.985 179.646 177.584 0.127 0.000 1.159 352 A CA 1.568 53.683 52.037 0.131 0.000 0.680 352 A CB -1.167 17.925 19.000 0.153 0.000 0.787 352 A HN 0.939 nan 8.150 nan 0.000 0.467 353 G N -1.089 107.838 108.800 0.212 0.000 2.986 353 G HA2 0.369 4.331 3.960 0.004 0.000 0.213 353 G HA3 0.369 4.331 3.960 0.004 0.000 0.213 353 G C 0.483 175.402 174.900 0.032 0.000 1.156 353 G CA -0.335 44.870 45.100 0.175 0.000 0.763 353 G HN 0.393 nan 8.290 nan 0.000 0.547 354 L N 1.946 123.056 121.223 -0.188 0.000 2.417 354 L HA 0.406 4.749 4.340 0.004 0.000 0.268 354 L C 0.944 177.816 176.870 0.004 0.000 1.158 354 L CA -0.445 54.294 54.840 -0.169 0.000 0.819 354 L CB 1.178 43.066 42.059 -0.286 0.000 1.112 354 L HN 0.099 nan 8.230 nan 0.000 0.458 355 T N -2.793 111.720 114.554 -0.067 0.000 2.950 355 T HA 0.211 4.564 4.350 0.004 0.000 0.288 355 T C 0.736 175.140 174.700 -0.493 0.000 1.035 355 T CA -0.788 61.221 62.100 -0.152 0.000 1.028 355 T CB 1.877 70.651 68.868 -0.156 0.000 1.109 355 T HN 0.720 nan 8.240 nan 0.000 0.514 356 E N 0.578 120.127 120.200 -1.086 0.000 2.070 356 E HA -0.234 4.119 4.350 0.004 0.000 0.197 356 E C 2.274 178.424 176.600 -0.750 0.000 1.004 356 E CA 1.601 57.057 56.400 -1.573 0.000 0.805 356 E CB -0.575 28.146 29.700 -1.631 0.000 0.744 356 E HN 0.790 nan 8.360 nan 0.000 0.451 357 A N 1.314 123.835 122.820 -0.498 0.000 1.883 357 A HA -0.270 4.053 4.320 0.004 0.000 0.217 357 A C 1.890 179.318 177.584 -0.259 0.000 1.186 357 A CA 2.045 53.894 52.037 -0.313 0.000 0.624 357 A CB -0.780 18.088 19.000 -0.222 0.000 0.822 357 A HN 0.318 nan 8.150 nan 0.000 0.444 358 D N 0.056 120.311 120.400 -0.243 0.000 2.126 358 D HA -0.181 4.461 4.640 0.004 0.000 0.190 358 D C 1.893 178.067 176.300 -0.210 0.000 1.001 358 D CA 1.555 55.447 54.000 -0.180 0.000 0.841 358 D CB -0.313 40.392 40.800 -0.158 0.000 0.949 358 D HN 0.365 nan 8.370 nan 0.000 0.446 359 I N 1.392 121.778 120.570 -0.306 0.000 2.226 359 I HA -0.191 3.981 4.170 0.004 0.000 0.245 359 I C 1.927 177.885 176.117 -0.265 0.000 1.100 359 I CA 1.103 62.184 61.300 -0.365 0.000 1.374 359 I CB -1.172 36.543 38.000 -0.474 0.000 1.057 359 I HN 0.035 nan 8.210 nan 0.000 0.413 360 D N 0.583 120.822 120.400 -0.268 0.000 2.133 360 D HA -0.240 4.403 4.640 0.004 0.000 0.195 360 D C 2.289 178.512 176.300 -0.128 0.000 0.997 360 D CA 1.298 55.184 54.000 -0.191 0.000 0.840 360 D CB -0.105 40.572 40.800 -0.204 0.000 0.947 360 D HN 0.325 nan 8.370 nan 0.000 0.452 361 R N 0.699 121.123 120.500 -0.126 0.000 2.083 361 R HA -0.129 4.214 4.340 0.004 0.000 0.237 361 R C 2.391 178.659 176.300 -0.053 0.000 1.137 361 R CA 1.085 57.137 56.100 -0.081 0.000 0.951 361 R CB -0.188 30.066 30.300 -0.077 0.000 0.851 361 R HN 0.003 nan 8.270 nan 0.000 0.434 362 V N 1.269 121.151 119.914 -0.054 0.000 2.407 362 V HA -0.254 3.868 4.120 0.004 0.000 0.248 362 V C 2.384 178.488 176.094 0.017 0.000 1.055 362 V CA 1.351 63.652 62.300 0.002 0.000 1.049 362 V CB -0.418 31.438 31.823 0.056 0.000 0.662 362 V HN 0.338 nan 8.190 nan 0.000 0.455 363 I N 0.708 121.275 120.570 -0.005 0.000 2.179 363 I HA -0.212 3.960 4.170 0.004 0.000 0.242 363 I C 2.724 178.840 176.117 -0.002 0.000 1.088 363 I CA 1.977 63.284 61.300 0.011 0.000 1.357 363 I CB -1.482 36.509 38.000 -0.014 0.000 1.051 363 I HN 0.325 nan 8.210 nan 0.000 0.409 364 A N 0.830 123.636 122.820 -0.023 0.000 1.933 364 A HA -0.133 4.189 4.320 0.004 0.000 0.218 364 A C 2.568 180.146 177.584 -0.010 0.000 1.175 364 A CA 1.956 53.981 52.037 -0.020 0.000 0.628 364 A CB -0.693 18.287 19.000 -0.033 0.000 0.814 364 A HN 0.430 nan 8.150 nan 0.000 0.444 365 A N -0.215 122.600 122.820 -0.007 0.000 1.877 365 A HA -0.027 4.296 4.320 0.004 0.000 0.216 365 A C 2.165 179.753 177.584 0.007 0.000 1.186 365 A CA 1.478 53.515 52.037 -0.001 0.000 0.620 365 A CB -0.605 18.396 19.000 0.002 0.000 0.822 365 A HN 0.469 nan 8.150 nan 0.000 0.443 366 L N -0.393 120.839 121.223 0.015 0.000 2.046 366 L HA -0.200 4.143 4.340 0.004 0.000 0.208 366 L C 2.458 179.338 176.870 0.016 0.000 1.077 366 L CA 1.621 56.473 54.840 0.020 0.000 0.747 366 L CB -0.635 41.444 42.059 0.032 0.000 0.896 366 L HN 0.468 nan 8.230 nan 0.000 0.432 367 D N -0.115 120.292 120.400 0.013 0.000 2.133 367 D HA -0.280 4.362 4.640 0.004 0.000 0.195 367 D C 2.162 178.466 176.300 0.007 0.000 0.997 367 D CA 1.574 55.580 54.000 0.010 0.000 0.840 367 D CB 0.015 40.818 40.800 0.005 0.000 0.947 367 D HN 0.275 nan 8.370 nan 0.000 0.452 368 Q N -0.427 119.375 119.800 0.004 0.000 2.046 368 Q HA -0.119 4.223 4.340 0.004 0.000 0.200 368 Q C 2.338 178.342 176.000 0.006 0.000 0.975 368 Q CA 2.061 57.866 55.803 0.003 0.000 0.836 368 Q CB 0.031 28.769 28.738 -0.000 0.000 0.896 368 Q HN 0.395 nan 8.270 nan 0.000 0.428 369 V N -1.498 118.420 119.914 0.007 0.000 3.129 369 V HA 0.097 4.220 4.120 0.004 0.000 0.259 369 V C 1.040 177.140 176.094 0.010 0.000 1.116 369 V CA 0.411 62.716 62.300 0.008 0.000 1.127 369 V CB -0.368 31.460 31.823 0.008 0.000 0.742 369 V HN 0.102 nan 8.190 nan 0.000 0.474 370 L N 2.051 123.281 121.223 0.012 0.000 2.433 370 L HA 0.446 4.788 4.340 0.004 0.000 0.284 370 L C -0.301 176.577 176.870 0.013 0.000 1.120 370 L CA 0.145 54.994 54.840 0.014 0.000 0.879 370 L CB 0.536 42.606 42.059 0.018 0.000 1.232 370 L HN 0.123 nan 8.230 nan 0.000 0.454 371 V N 0.000 119.921 119.914 0.012 0.000 2.409 371 V HA 0.000 4.122 4.120 0.004 0.000 0.244 371 V CA 0.000 62.307 62.300 0.011 0.000 1.235 371 V CB 0.000 31.829 31.823 0.010 0.000 1.184 371 V HN 0.000 nan 8.190 nan 0.000 0.556