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 2yrr_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLLLTPGPTP IPERVQKALL RPMRGHLDPE VLRVNRAIQE RLAALFDPGE DATA SEQUENCE GALVAALAGS GSLGMEAGLA NLDRGPVLVL VNGAFSQRVA EMAALHGLDP DATA SEQUENCE EVLDFPPGEP VDPEAVARAL KRRRYRMVAL VHGETSTGVL NPAEAIGALA DATA SEQUENCE KEAGALFFLD AVTTLGMLPF SMRAMGVDYA FTGSQKCLSA PPGLAPIAAS DATA SEQUENCE LEARKAFTGK RGWYLDLARV AEHWERGGYH HTTPVLLHYA LLEALDLVLE DATA SEQUENCE EGVAARERRA REVYAWVLEE LKARGFRPYP KASPLPTVLV VRPPEGVDAD DATA SEQUENCE RLVRALYAEG VAVAGGIGPT RGQVLRLGLM GEGARREAYQ AFLKALDRAL DATA SEQUENCE AL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.274 176.300 -0.043 0.000 1.140 1 M CA 0.000 55.246 55.300 -0.090 0.000 0.988 1 M CB 0.000 32.545 32.600 -0.091 0.000 1.302 2 L N 5.063 126.260 121.223 -0.043 0.000 2.418 2 L HA 0.413 4.753 4.340 -0.000 0.000 0.274 2 L C -1.059 175.801 176.870 -0.017 0.000 1.135 2 L CA 0.448 55.269 54.840 -0.031 0.000 0.870 2 L CB 0.356 42.392 42.059 -0.038 0.000 1.154 2 L HN 0.825 nan 8.230 nan 0.000 0.462 3 L N 7.419 128.635 121.223 -0.011 0.000 2.356 3 L HA 0.192 4.532 4.340 -0.000 0.000 0.282 3 L C 0.044 176.904 176.870 -0.016 0.000 1.132 3 L CA -0.038 54.806 54.840 0.005 0.000 0.923 3 L CB 0.116 42.185 42.059 0.017 0.000 1.278 3 L HN 0.749 nan 8.230 nan 0.000 0.436 4 L N 3.212 124.419 121.223 -0.027 0.000 3.062 4 L HA 0.154 4.494 4.340 -0.000 0.000 0.255 4 L C 0.809 177.673 176.870 -0.009 0.000 1.274 4 L CA -0.225 54.577 54.840 -0.063 0.000 1.047 4 L CB 0.338 42.263 42.059 -0.222 0.000 1.402 4 L HN 0.548 nan 8.230 nan 0.000 0.550 5 T N -2.418 112.149 114.554 0.021 0.000 2.868 5 T HA 0.235 4.585 4.350 -0.000 0.000 0.292 5 T C -2.135 172.584 174.700 0.031 0.000 1.028 5 T CA -1.643 60.478 62.100 0.036 0.000 1.059 5 T CB 1.006 69.903 68.868 0.049 0.000 0.991 5 T HN -0.028 nan 8.240 nan 0.000 0.531 6 P HA 0.326 nan 4.420 nan 0.000 0.218 6 P C 0.334 177.641 177.300 0.011 0.000 1.793 6 P CA 0.051 63.165 63.100 0.022 0.000 0.941 6 P CB -0.741 30.978 31.700 0.031 0.000 1.919 7 G N 2.039 110.848 108.800 0.015 0.000 3.355 7 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.686 7 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.686 7 G C -2.980 171.941 174.900 0.035 0.000 1.097 7 G CA -0.981 44.126 45.100 0.011 0.000 0.881 7 G HN 0.158 nan 8.290 nan 0.000 0.550 8 P HA 0.475 nan 4.420 nan 0.000 0.274 8 P C 0.499 177.813 177.300 0.022 0.000 1.264 8 P CA 0.494 63.610 63.100 0.028 0.000 0.795 8 P CB 0.698 32.419 31.700 0.035 0.000 1.064 9 T N -4.743 109.821 114.554 0.017 0.000 2.887 9 T HA 0.584 4.934 4.350 -0.000 0.000 0.292 9 T C -2.912 171.798 174.700 0.016 0.000 1.087 9 T CA -2.461 59.648 62.100 0.015 0.000 1.009 9 T CB 0.598 69.471 68.868 0.008 0.000 1.203 9 T HN 0.116 nan 8.240 nan 0.000 0.518 10 P HA 0.371 nan 4.420 nan 0.000 0.268 10 P C -0.821 176.488 177.300 0.015 0.000 1.205 10 P CA -0.285 62.823 63.100 0.014 0.000 0.771 10 P CB 0.228 31.934 31.700 0.011 0.000 0.858 11 I N 4.784 125.364 120.570 0.017 0.000 2.339 11 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 11 I C -2.025 174.103 176.117 0.018 0.000 0.994 11 I CA -2.580 58.731 61.300 0.019 0.000 1.191 11 I CB 1.248 39.263 38.000 0.025 0.000 1.343 11 I HN 0.164 nan 8.210 nan 0.000 0.458 12 P HA -0.011 nan 4.420 nan 0.000 0.265 12 P C 0.652 177.962 177.300 0.017 0.000 1.187 12 P CA 0.048 63.156 63.100 0.014 0.000 0.766 12 P CB 0.735 32.442 31.700 0.011 0.000 0.820 13 E N 2.531 122.740 120.200 0.015 0.000 2.097 13 E HA -0.290 4.060 4.350 -0.000 0.000 0.196 13 E C 1.920 178.532 176.600 0.019 0.000 1.000 13 E CA 1.087 57.497 56.400 0.016 0.000 0.804 13 E CB -0.031 29.676 29.700 0.012 0.000 0.740 13 E HN 0.309 nan 8.360 nan 0.000 0.454 14 R N 0.087 120.597 120.500 0.016 0.000 2.105 14 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 14 R C 2.035 178.350 176.300 0.026 0.000 1.135 14 R CA 1.568 57.678 56.100 0.017 0.000 0.967 14 R CB -0.056 30.251 30.300 0.012 0.000 0.861 14 R HN 0.105 nan 8.270 nan 0.000 0.442 15 V N 0.627 120.559 119.914 0.029 0.000 2.302 15 V HA -0.183 3.937 4.120 -0.000 0.000 0.243 15 V C 2.443 178.568 176.094 0.052 0.000 1.036 15 V CA 1.910 64.235 62.300 0.041 0.000 1.020 15 V CB -0.649 31.194 31.823 0.034 0.000 0.657 15 V HN 0.410 nan 8.190 nan 0.000 0.453 16 Q N 0.714 120.540 119.800 0.043 0.000 2.170 16 Q HA -0.222 4.118 4.340 -0.000 0.000 0.203 16 Q C 2.330 178.361 176.000 0.053 0.000 0.976 16 Q CA 2.312 58.143 55.803 0.048 0.000 0.858 16 Q CB -0.237 28.523 28.738 0.037 0.000 0.907 16 Q HN 0.682 nan 8.270 nan 0.000 0.433 17 K N 0.005 120.431 120.400 0.043 0.000 2.209 17 K HA 0.037 4.357 4.320 -0.000 0.000 0.204 17 K C 1.874 178.505 176.600 0.052 0.000 1.048 17 K CA 1.232 57.543 56.287 0.040 0.000 0.940 17 K CB -1.016 31.500 32.500 0.026 0.000 0.729 17 K HN 0.470 nan 8.250 nan 0.000 0.451 18 A N 0.711 123.570 122.820 0.065 0.000 2.125 18 A HA 0.112 4.432 4.320 -0.000 0.000 0.219 18 A C 2.191 179.872 177.584 0.162 0.000 1.156 18 A CA 1.116 53.205 52.037 0.087 0.000 0.671 18 A CB -0.395 18.669 19.000 0.107 0.000 0.794 18 A HN 0.468 nan 8.150 nan 0.000 0.459 19 L N -0.898 120.410 121.223 0.141 0.000 2.465 19 L HA -0.023 4.317 4.340 -0.000 0.000 0.224 19 L C 1.821 178.778 176.870 0.144 0.000 1.145 19 L CA 0.391 55.325 54.840 0.158 0.000 0.834 19 L CB -0.278 41.842 42.059 0.102 0.000 0.944 19 L HN 0.383 nan 8.230 nan 0.000 0.451 20 L N -0.856 120.430 121.223 0.105 0.000 2.509 20 L HA 0.051 4.391 4.340 -0.000 0.000 0.222 20 L C 1.090 178.006 176.870 0.076 0.000 1.123 20 L CA -0.051 54.835 54.840 0.077 0.000 0.856 20 L CB -0.241 41.846 42.059 0.047 0.000 0.985 20 L HN 0.166 nan 8.230 nan 0.000 0.456 21 R N 0.969 121.517 120.500 0.080 0.000 2.698 21 R HA 0.088 4.427 4.340 -0.000 0.000 0.266 21 R C -2.074 174.285 176.300 0.099 0.000 1.026 21 R CA -1.605 54.495 56.100 0.000 0.000 1.102 21 R CB -0.435 29.720 30.300 -0.243 0.000 0.978 21 R HN -0.133 nan 8.270 nan 0.000 0.436 22 P HA -0.122 nan 4.420 nan 0.000 0.261 22 P C -0.375 177.042 177.300 0.195 0.000 1.183 22 P CA 0.184 63.338 63.100 0.090 0.000 0.761 22 P CB 0.421 32.144 31.700 0.038 0.000 0.785 23 M N 4.847 124.545 119.600 0.163 0.000 2.252 23 M HA 0.139 4.619 4.480 -0.000 0.000 0.333 23 M C 0.018 176.395 176.300 0.128 0.000 1.111 23 M CA 1.096 56.486 55.300 0.149 0.000 1.140 23 M CB -0.038 32.607 32.600 0.075 0.000 1.538 23 M HN 0.265 nan 8.290 nan 0.000 0.448 24 R N 2.013 122.583 120.500 0.117 0.000 2.799 24 R HA 0.649 4.989 4.340 -0.000 0.000 0.270 24 R C -0.435 175.897 176.300 0.053 0.000 1.010 24 R CA -0.790 55.364 56.100 0.091 0.000 0.916 24 R CB 1.407 31.788 30.300 0.135 0.000 1.228 24 R HN 0.946 nan 8.270 nan 0.000 0.469 25 G N 0.275 109.100 108.800 0.042 0.000 2.544 25 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.242 25 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.242 25 G C 0.726 175.655 174.900 0.048 0.000 1.247 25 G CA -0.234 44.897 45.100 0.051 0.000 0.840 25 G HN 0.938 nan 8.290 nan 0.000 0.578 26 H N 0.764 119.807 119.070 -0.044 0.000 2.559 26 H HA 0.049 4.605 4.556 -0.000 0.000 0.273 26 H C 1.222 176.563 175.328 0.021 0.000 1.000 26 H CA 0.622 56.637 56.048 -0.054 0.000 1.195 26 H CB -0.011 29.698 29.762 -0.088 0.000 1.368 26 H HN 0.367 nan 8.280 nan 0.000 0.592 27 L N 0.623 121.621 121.223 -0.375 0.000 2.808 27 L HA 0.136 4.476 4.340 -0.000 0.000 0.246 27 L C 0.503 177.294 176.870 -0.132 0.000 1.153 27 L CA -0.310 54.365 54.840 -0.274 0.000 0.956 27 L CB 0.339 42.190 42.059 -0.346 0.000 1.270 27 L HN 0.026 nan 8.230 nan 0.000 0.528 28 D N 1.946 122.297 120.400 -0.082 0.000 2.493 28 D HA -0.007 4.633 4.640 -0.000 0.000 0.240 28 D C -1.599 174.685 176.300 -0.028 0.000 1.142 28 D CA -1.274 52.706 54.000 -0.034 0.000 0.872 28 D CB 1.814 42.618 40.800 0.007 0.000 1.173 28 D HN -0.095 nan 8.370 nan 0.000 0.467 29 P HA -0.156 nan 4.420 nan 0.000 0.217 29 P C 0.935 178.231 177.300 -0.006 0.000 1.148 29 P CA 1.036 64.122 63.100 -0.024 0.000 0.834 29 P CB 0.331 32.020 31.700 -0.019 0.000 0.783 30 E N -0.812 119.395 120.200 0.013 0.000 2.107 30 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 30 E C 2.077 178.720 176.600 0.072 0.000 0.982 30 E CA 0.924 57.345 56.400 0.035 0.000 0.809 30 E CB -0.861 28.863 29.700 0.039 0.000 0.756 30 E HN 0.139 nan 8.360 nan 0.000 0.459 31 V N 1.308 121.270 119.914 0.079 0.000 2.427 31 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 31 V C 2.352 178.465 176.094 0.031 0.000 1.051 31 V CA 0.995 63.356 62.300 0.102 0.000 1.048 31 V CB -0.366 31.488 31.823 0.051 0.000 0.666 31 V HN 0.144 nan 8.190 nan 0.000 0.456 32 L N 0.624 121.830 121.223 -0.030 0.000 2.083 32 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 32 L C 2.926 179.771 176.870 -0.043 0.000 1.083 32 L CA 2.475 57.259 54.840 -0.093 0.000 0.752 32 L CB -1.306 40.688 42.059 -0.109 0.000 0.899 32 L HN 0.400 nan 8.230 nan 0.000 0.433 33 R N -0.843 119.656 120.500 -0.001 0.000 2.073 33 R HA -0.086 4.253 4.340 -0.000 0.000 0.234 33 R C 2.252 178.582 176.300 0.049 0.000 1.134 33 R CA 1.825 57.936 56.100 0.019 0.000 0.952 33 R CB -1.760 28.552 30.300 0.020 0.000 0.850 33 R HN 0.262 nan 8.270 nan 0.000 0.433 34 V N 1.977 121.941 119.914 0.083 0.000 2.332 34 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 34 V C 1.972 178.151 176.094 0.141 0.000 1.055 34 V CA 2.170 64.551 62.300 0.135 0.000 1.038 34 V CB -0.587 31.376 31.823 0.233 0.000 0.651 34 V HN 0.600 nan 8.190 nan 0.000 0.450 35 N N 0.271 119.027 118.700 0.095 0.000 2.120 35 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 35 N C 1.931 177.551 175.510 0.184 0.000 1.024 35 N CA 1.324 54.420 53.050 0.076 0.000 0.852 35 N CB -0.382 37.927 38.487 -0.296 0.000 1.003 35 N HN 0.462 nan 8.380 nan 0.000 0.424 36 R N 0.403 120.961 120.500 0.096 0.000 2.115 36 R HA 0.072 4.412 4.340 -0.000 0.000 0.230 36 R C 2.049 178.416 176.300 0.111 0.000 1.111 36 R CA 1.057 57.221 56.100 0.107 0.000 0.976 36 R CB -0.229 30.103 30.300 0.052 0.000 0.870 36 R HN 0.201 nan 8.270 nan 0.000 0.445 37 A N 1.368 124.249 122.820 0.101 0.000 1.898 37 A HA -0.109 4.210 4.320 -0.000 0.000 0.216 37 A C 2.123 179.767 177.584 0.099 0.000 1.181 37 A CA 1.010 53.098 52.037 0.085 0.000 0.620 37 A CB -0.401 18.644 19.000 0.075 0.000 0.819 37 A HN 0.149 nan 8.150 nan 0.000 0.442 38 I N -0.335 120.321 120.570 0.143 0.000 2.208 38 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 38 I C 2.783 178.970 176.117 0.117 0.000 1.097 38 I CA 1.631 63.013 61.300 0.137 0.000 1.363 38 I CB -0.440 37.686 38.000 0.210 0.000 1.051 38 I HN 0.469 nan 8.210 nan 0.000 0.413 39 Q N 0.422 120.322 119.800 0.167 0.000 2.124 39 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 39 Q C 2.486 178.534 176.000 0.079 0.000 0.977 39 Q CA 2.041 57.915 55.803 0.118 0.000 0.850 39 Q CB -0.314 28.520 28.738 0.159 0.000 0.901 39 Q HN 0.685 nan 8.270 nan 0.000 0.429 40 E N 1.372 121.616 120.200 0.074 0.000 2.051 40 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 40 E C 1.897 178.518 176.600 0.035 0.000 0.991 40 E CA 1.383 57.813 56.400 0.050 0.000 0.799 40 E CB -0.388 29.338 29.700 0.044 0.000 0.748 40 E HN 0.110 nan 8.360 nan 0.000 0.449 41 R N 0.019 120.535 120.500 0.028 0.000 2.073 41 R HA 0.119 4.459 4.340 -0.000 0.000 0.234 41 R C 2.537 178.820 176.300 -0.027 0.000 1.134 41 R CA 1.158 57.257 56.100 -0.002 0.000 0.952 41 R CB -0.876 29.420 30.300 -0.006 0.000 0.850 41 R HN 0.493 nan 8.270 nan 0.000 0.433 42 L N -0.341 120.875 121.223 -0.012 0.000 2.083 42 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 42 L C 2.299 179.223 176.870 0.088 0.000 1.083 42 L CA 1.363 56.190 54.840 -0.022 0.000 0.752 42 L CB -0.578 41.526 42.059 0.074 0.000 0.899 42 L HN 0.230 nan 8.230 nan 0.000 0.433 43 A N -0.019 122.862 122.820 0.102 0.000 1.933 43 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 43 A C 2.512 180.148 177.584 0.086 0.000 1.175 43 A CA 1.578 53.685 52.037 0.117 0.000 0.628 43 A CB -0.548 18.494 19.000 0.071 0.000 0.814 43 A HN 0.402 nan 8.150 nan 0.000 0.444 44 A N -0.497 122.345 122.820 0.036 0.000 1.969 44 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 44 A C 2.125 179.711 177.584 0.004 0.000 1.169 44 A CA 1.397 53.444 52.037 0.017 0.000 0.635 44 A CB -0.420 18.579 19.000 -0.001 0.000 0.810 44 A HN 0.471 nan 8.150 nan 0.000 0.445 45 L N -2.618 118.570 121.223 -0.058 0.000 2.127 45 L HA 0.031 4.370 4.340 -0.000 0.000 0.203 45 L C 2.421 179.260 176.870 -0.050 0.000 1.080 45 L CA 0.853 55.608 54.840 -0.140 0.000 0.768 45 L CB -0.454 41.392 42.059 -0.353 0.000 0.924 45 L HN 0.400 nan 8.230 nan 0.000 0.444 46 F N 0.019 119.972 119.950 0.004 0.000 2.163 46 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 46 F C 0.861 176.748 175.800 0.145 0.000 1.094 46 F CA 0.708 58.758 58.000 0.084 0.000 1.290 46 F CB 0.069 39.054 39.000 -0.026 0.000 1.017 46 F HN 0.126 nan 8.300 nan 0.000 0.483 47 D N -0.476 120.078 120.400 0.256 0.000 2.737 47 D HA -0.140 4.500 4.640 -0.000 0.000 0.238 47 D C -1.798 174.566 176.300 0.107 0.000 1.157 47 D CA 0.280 54.362 54.000 0.138 0.000 0.694 47 D CB -0.370 40.492 40.800 0.104 0.000 1.021 47 D HN 0.141 nan 8.370 nan 0.000 0.420 48 P HA 0.115 nan 4.420 nan 0.000 0.237 48 P C 0.915 178.205 177.300 -0.018 0.000 1.178 48 P CA 1.345 64.445 63.100 -0.000 0.000 0.766 48 P CB 0.250 31.915 31.700 -0.059 0.000 0.876 49 G N 0.586 109.386 108.800 -0.001 0.000 2.758 49 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.686 49 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.686 49 G C -0.841 174.050 174.900 -0.014 0.000 1.389 49 G CA -0.789 44.305 45.100 -0.009 0.000 0.845 49 G HN 0.253 nan 8.290 nan 0.000 0.572 50 E N 0.265 120.458 120.200 -0.012 0.000 2.414 50 E HA 0.383 4.733 4.350 -0.000 0.000 0.263 50 E C 1.401 177.990 176.600 -0.019 0.000 1.000 50 E CA 1.224 57.617 56.400 -0.011 0.000 0.914 50 E CB 0.536 30.231 29.700 -0.008 0.000 0.948 50 E HN 2.172 nan 8.360 nan 0.000 0.444 51 G N 1.905 110.696 108.800 -0.016 0.000 2.176 51 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.253 51 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.253 51 G C 0.371 175.253 174.900 -0.031 0.000 0.979 51 G CA 0.041 45.129 45.100 -0.020 0.000 0.641 51 G HN 0.781 nan 8.290 nan 0.000 0.530 52 A N -0.430 122.366 122.820 -0.039 0.000 2.366 52 A HA 0.699 5.019 4.320 -0.000 0.000 0.249 52 A C 0.251 177.801 177.584 -0.057 0.000 1.084 52 A CA 0.451 52.450 52.037 -0.063 0.000 0.794 52 A CB 0.757 19.709 19.000 -0.080 0.000 1.034 52 A HN 1.586 nan 8.150 nan 0.000 0.491 53 L N 2.520 123.697 121.223 -0.076 0.000 2.272 53 L HA 0.618 4.958 4.340 -0.000 0.000 0.289 53 L C -0.802 175.986 176.870 -0.137 0.000 1.032 53 L CA -0.001 54.799 54.840 -0.068 0.000 0.810 53 L CB 1.324 43.362 42.059 -0.036 0.000 1.205 53 L HN 0.356 nan 8.230 nan 0.000 0.422 54 V N 5.321 125.159 119.914 -0.126 0.000 2.540 54 V HA 0.991 5.111 4.120 -0.000 0.000 0.302 54 V C 0.027 175.938 176.094 -0.305 0.000 1.035 54 V CA 0.157 62.348 62.300 -0.182 0.000 0.873 54 V CB 0.965 32.749 31.823 -0.066 0.000 0.992 54 V HN 1.095 nan 8.190 nan 0.000 0.428 55 A N 3.691 126.197 122.820 -0.523 0.000 2.536 55 A HA 0.979 5.299 4.320 -0.000 0.000 0.293 55 A C -1.090 175.918 177.584 -0.960 0.000 1.119 55 A CA -0.168 51.138 52.037 -1.218 0.000 0.654 55 A CB 1.617 19.788 19.000 -1.382 0.000 1.291 55 A HN 1.669 nan 8.150 nan 0.000 0.439 56 A N 0.986 123.049 122.820 -1.261 0.000 2.545 56 A HA 0.614 4.934 4.320 -0.000 0.000 0.300 56 A C -0.407 177.107 177.584 -0.116 0.000 1.252 56 A CA -0.347 51.429 52.037 -0.434 0.000 0.753 56 A CB -0.240 18.613 19.000 -0.246 0.000 1.144 56 A HN 0.828 nan 8.150 nan 0.000 0.457 57 L N 1.411 122.596 121.223 -0.064 0.000 2.483 57 L HA 0.227 4.567 4.340 -0.000 0.000 0.276 57 L C 1.194 178.179 176.870 0.191 0.000 1.213 57 L CA -0.140 54.748 54.840 0.080 0.000 0.843 57 L CB 0.755 42.839 42.059 0.042 0.000 1.107 57 L HN 0.742 nan 8.230 nan 0.000 0.487 58 A N 2.584 125.561 122.820 0.261 0.000 2.990 58 A HA 0.594 4.914 4.320 -0.000 0.000 0.282 58 A C 0.511 178.285 177.584 0.317 0.000 1.688 58 A CA 0.477 52.709 52.037 0.325 0.000 1.391 58 A CB -0.804 18.464 19.000 0.446 0.000 1.112 58 A HN 0.914 nan 8.150 nan 0.000 0.588 59 G N -0.290 108.646 108.800 0.228 0.000 2.342 59 G HA2 0.493 4.453 3.960 -0.000 0.000 0.297 59 G HA3 0.493 4.453 3.960 -0.000 0.000 0.297 59 G C -0.208 174.775 174.900 0.139 0.000 1.313 59 G CA 0.077 45.292 45.100 0.192 0.000 0.830 59 G HN 1.140 nan 8.290 nan 0.000 0.506 60 S N -0.991 114.779 115.700 0.117 0.000 2.652 60 S HA 0.543 5.013 4.470 -0.000 0.000 0.267 60 S C 1.896 176.564 174.600 0.114 0.000 1.201 60 S CA 0.769 59.033 58.200 0.107 0.000 0.996 60 S CB 0.966 64.225 63.200 0.099 0.000 1.054 60 S HN 1.979 nan 8.310 nan 0.000 0.561 61 G N 0.481 109.361 108.800 0.133 0.000 2.475 61 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 61 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 61 G C 1.417 176.407 174.900 0.149 0.000 1.125 61 G CA 0.953 46.173 45.100 0.199 0.000 0.755 61 G HN 0.688 nan 8.290 nan 0.000 0.565 62 S N 0.072 115.851 115.700 0.131 0.000 2.399 62 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 62 S C 2.125 176.728 174.600 0.006 0.000 1.022 62 S CA 1.068 59.322 58.200 0.091 0.000 0.983 62 S CB -0.202 63.072 63.200 0.124 0.000 0.803 62 S HN 0.289 nan 8.310 nan 0.000 0.480 63 L N 2.015 123.259 121.223 0.034 0.000 2.056 63 L HA 0.064 4.404 4.340 -0.000 0.000 0.207 63 L C 2.247 179.089 176.870 -0.048 0.000 1.078 63 L CA 1.887 56.751 54.840 0.040 0.000 0.749 63 L CB -1.291 40.837 42.059 0.116 0.000 0.901 63 L HN 0.287 nan 8.230 nan 0.000 0.433 64 G N -0.690 108.048 108.800 -0.102 0.000 2.418 64 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.217 64 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.217 64 G C 1.645 176.192 174.900 -0.589 0.000 1.158 64 G CA 1.005 45.981 45.100 -0.207 0.000 0.771 64 G HN 0.455 nan 8.290 nan 0.000 0.545 65 M N 0.160 119.142 119.600 -1.030 0.000 2.065 65 M HA -0.074 4.406 4.480 -0.000 0.000 0.259 65 M C 2.498 178.695 176.300 -0.171 0.000 1.071 65 M CA 2.348 57.117 55.300 -0.884 0.000 1.109 65 M CB -0.232 32.163 32.600 -0.341 0.000 1.313 65 M HN 0.377 nan 8.290 nan 0.000 0.408 66 E N -0.212 119.917 120.200 -0.119 0.000 2.153 66 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 66 E C 1.753 178.243 176.600 -0.183 0.000 0.988 66 E CA 1.240 57.600 56.400 -0.068 0.000 0.811 66 E CB -0.109 29.605 29.700 0.024 0.000 0.746 66 E HN 0.647 nan 8.360 nan 0.000 0.466 67 A N 0.512 123.225 122.820 -0.178 0.000 1.972 67 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 67 A C 2.290 179.551 177.584 -0.539 0.000 1.169 67 A CA 1.510 53.394 52.037 -0.255 0.000 0.635 67 A CB -0.846 18.099 19.000 -0.091 0.000 0.810 67 A HN 0.412 nan 8.150 nan 0.000 0.446 68 G N -1.367 107.034 108.800 -0.664 0.000 2.848 68 G HA2 0.229 4.189 3.960 -0.000 0.000 0.208 68 G HA3 0.229 4.189 3.960 -0.000 0.000 0.208 68 G C 1.227 175.811 174.900 -0.526 0.000 1.152 68 G CA 0.683 45.065 45.100 -1.196 0.000 0.789 68 G HN 0.433 nan 8.290 nan 0.000 0.531 69 L N -0.692 120.263 121.223 -0.447 0.000 2.515 69 L HA 0.293 4.633 4.340 -0.000 0.000 0.202 69 L C 2.988 179.571 176.870 -0.477 0.000 1.056 69 L CA 0.704 55.316 54.840 -0.379 0.000 0.847 69 L CB -0.236 41.653 42.059 -0.284 0.000 1.131 69 L HN 0.111 nan 8.230 nan 0.000 0.484 70 A N 0.555 122.979 122.820 -0.661 0.000 2.070 70 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 70 A C 1.613 178.876 177.584 -0.534 0.000 1.159 70 A CA 1.910 53.442 52.037 -0.841 0.000 0.656 70 A CB -0.656 17.763 19.000 -0.969 0.000 0.800 70 A HN 0.485 nan 8.150 nan 0.000 0.453 71 N N -1.141 117.174 118.700 -0.642 0.000 2.336 71 N HA 0.172 4.912 4.740 -0.000 0.000 0.189 71 N C 0.002 175.214 175.510 -0.496 0.000 1.113 71 N CA -0.185 52.493 53.050 -0.620 0.000 0.858 71 N CB 0.055 38.005 38.487 -0.896 0.000 0.970 71 N HN 0.414 nan 8.380 nan 0.000 0.471 72 L N 1.619 122.597 121.223 -0.410 0.000 2.416 72 L HA 0.079 4.419 4.340 -0.000 0.000 0.272 72 L C 0.898 177.768 176.870 -0.000 0.000 1.161 72 L CA -0.102 54.719 54.840 -0.032 0.000 0.845 72 L CB 0.615 42.682 42.059 0.013 0.000 1.119 72 L HN 0.187 nan 8.230 nan 0.000 0.464 73 D N 3.297 123.741 120.400 0.074 0.000 2.084 73 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 73 D C 0.418 176.736 176.300 0.030 0.000 0.990 73 D CA 1.534 55.560 54.000 0.043 0.000 0.826 73 D CB -0.031 40.803 40.800 0.056 0.000 0.971 73 D HN 0.636 nan 8.370 nan 0.000 0.453 74 R N -1.959 118.566 120.500 0.042 0.000 2.766 74 R HA 0.664 5.004 4.340 -0.000 0.000 0.270 74 R C -0.003 176.325 176.300 0.047 0.000 1.035 74 R CA -0.873 55.248 56.100 0.036 0.000 0.911 74 R CB 0.873 31.191 30.300 0.031 0.000 1.243 74 R HN 0.067 nan 8.270 nan 0.000 0.460 75 G N 0.111 108.938 108.800 0.045 0.000 2.736 75 G HA2 0.623 4.583 3.960 -0.000 0.000 0.229 75 G HA3 0.623 4.583 3.960 -0.000 0.000 0.229 75 G C -2.356 172.579 174.900 0.059 0.000 1.380 75 G CA -1.392 43.748 45.100 0.066 0.000 1.040 75 G HN 0.558 nan 8.290 nan 0.000 0.568 76 P HA 0.424 nan 4.420 nan 0.000 0.277 76 P C -1.041 176.428 177.300 0.282 0.000 1.271 76 P CA -0.307 62.885 63.100 0.153 0.000 0.795 76 P CB 1.655 33.423 31.700 0.114 0.000 1.101 77 V N 1.071 121.148 119.914 0.272 0.000 2.577 77 V HA 0.193 4.313 4.120 -0.000 0.000 0.303 77 V C -0.061 176.035 176.094 0.003 0.000 1.042 77 V CA -0.762 61.629 62.300 0.152 0.000 0.872 77 V CB 1.616 33.458 31.823 0.032 0.000 0.998 77 V HN 0.388 nan 8.190 nan 0.000 0.423 78 L N 6.831 127.871 121.223 -0.305 0.000 2.261 78 L HA 0.540 4.880 4.340 -0.000 0.000 0.289 78 L C -0.325 176.444 176.870 -0.169 0.000 1.059 78 L CA 0.351 54.877 54.840 -0.523 0.000 0.816 78 L CB 1.162 42.634 42.059 -0.979 0.000 1.191 78 L HN 0.477 nan 8.230 nan 0.000 0.431 79 V N 6.963 126.832 119.914 -0.074 0.000 2.333 79 V HA 0.289 4.409 4.120 -0.000 0.000 0.274 79 V C 0.271 176.411 176.094 0.077 0.000 1.028 79 V CA -0.623 61.684 62.300 0.012 0.000 0.851 79 V CB 1.044 32.873 31.823 0.010 0.000 1.000 79 V HN 0.548 nan 8.190 nan 0.000 0.456 80 L N 5.993 127.296 121.223 0.133 0.000 2.315 80 L HA 0.427 4.767 4.340 -0.000 0.000 0.283 80 L C -0.339 176.671 176.870 0.233 0.000 1.089 80 L CA -0.181 54.794 54.840 0.225 0.000 0.833 80 L CB 0.866 43.029 42.059 0.173 0.000 1.170 80 L HN 0.359 nan 8.230 nan 0.000 0.442 81 V N 3.435 123.524 119.914 0.291 0.000 2.495 81 V HA 0.321 4.441 4.120 -0.000 0.000 0.298 81 V C 0.270 176.545 176.094 0.302 0.000 1.031 81 V CA -0.452 61.992 62.300 0.241 0.000 0.871 81 V CB 1.652 33.569 31.823 0.157 0.000 0.988 81 V HN 0.996 nan 8.190 nan 0.000 0.432 82 N N 2.376 121.217 118.700 0.234 0.000 2.330 82 N HA 0.461 5.201 4.740 -0.000 0.000 0.249 82 N C -0.115 175.507 175.510 0.187 0.000 1.413 82 N CA -0.055 53.132 53.050 0.228 0.000 0.817 82 N CB 1.190 39.816 38.487 0.233 0.000 1.362 82 N HN 0.841 nan 8.380 nan 0.000 0.499 83 G N -1.048 107.853 108.800 0.167 0.000 2.506 83 G HA2 0.526 4.486 3.960 -0.000 0.000 0.292 83 G HA3 0.526 4.486 3.960 -0.000 0.000 0.292 83 G C 0.149 175.103 174.900 0.091 0.000 1.425 83 G CA -0.249 44.941 45.100 0.150 0.000 0.788 83 G HN 0.154 nan 8.290 nan 0.000 0.490 84 A N -0.780 122.042 122.820 0.004 0.000 1.972 84 A HA 0.192 4.512 4.320 -0.000 0.000 0.219 84 A C 1.911 179.354 177.584 -0.235 0.000 1.169 84 A CA 1.886 53.819 52.037 -0.175 0.000 0.635 84 A CB -0.512 18.273 19.000 -0.359 0.000 0.810 84 A HN 0.576 nan 8.150 nan 0.000 0.446 85 F N 0.817 120.825 119.950 0.098 0.000 2.293 85 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 85 F C 2.802 178.691 175.800 0.148 0.000 1.089 85 F CA 1.292 59.367 58.000 0.125 0.000 1.377 85 F CB -0.133 38.948 39.000 0.134 0.000 1.051 85 F HN 0.293 nan 8.300 nan 0.000 0.511 86 S N -0.549 115.326 115.700 0.291 0.000 2.428 86 S HA -0.166 4.303 4.470 -0.000 0.000 0.230 86 S C 1.726 176.419 174.600 0.157 0.000 1.014 86 S CA 0.653 58.993 58.200 0.235 0.000 0.957 86 S CB -0.541 62.787 63.200 0.213 0.000 0.784 86 S HN 0.456 nan 8.310 nan 0.000 0.499 87 Q N 0.827 120.694 119.800 0.111 0.000 2.172 87 Q HA 0.035 4.375 4.340 -0.000 0.000 0.200 87 Q C 2.376 178.406 176.000 0.050 0.000 0.964 87 Q CA 0.949 56.788 55.803 0.060 0.000 0.855 87 Q CB -0.148 28.602 28.738 0.021 0.000 0.918 87 Q HN 0.620 nan 8.270 nan 0.000 0.444 88 R N 0.188 120.730 120.500 0.070 0.000 2.090 88 R HA -0.099 4.241 4.340 -0.000 0.000 0.228 88 R C 2.027 178.385 176.300 0.096 0.000 1.110 88 R CA 0.863 57.010 56.100 0.077 0.000 0.973 88 R CB 0.008 30.382 30.300 0.124 0.000 0.869 88 R HN 0.066 nan 8.270 nan 0.000 0.440 89 V N 1.198 121.193 119.914 0.135 0.000 2.332 89 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 89 V C 2.486 178.581 176.094 0.002 0.000 1.055 89 V CA 1.976 64.323 62.300 0.079 0.000 1.038 89 V CB -0.736 31.154 31.823 0.111 0.000 0.651 89 V HN 0.549 nan 8.190 nan 0.000 0.450 90 A N -0.058 122.776 122.820 0.025 0.000 1.902 90 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 90 A C 2.348 179.932 177.584 -0.000 0.000 1.181 90 A CA 2.282 54.324 52.037 0.007 0.000 0.623 90 A CB -0.802 18.213 19.000 0.024 0.000 0.818 90 A HN 0.617 nan 8.150 nan 0.000 0.443 91 E N -0.261 119.942 120.200 0.006 0.000 2.077 91 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 91 E C 1.949 178.536 176.600 -0.022 0.000 0.989 91 E CA 1.717 58.112 56.400 -0.009 0.000 0.800 91 E CB -0.780 28.917 29.700 -0.006 0.000 0.746 91 E HN 0.748 nan 8.360 nan 0.000 0.452 92 M N -0.089 119.510 119.600 -0.002 0.000 2.099 92 M HA 0.037 4.517 4.480 -0.000 0.000 0.262 92 M C 2.917 179.239 176.300 0.038 0.000 1.067 92 M CA 1.450 56.760 55.300 0.016 0.000 1.124 92 M CB -0.188 32.451 32.600 0.065 0.000 1.353 92 M HN 0.430 nan 8.290 nan 0.000 0.410 93 A N 0.666 123.489 122.820 0.004 0.000 1.908 93 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 93 A C 2.388 179.976 177.584 0.008 0.000 1.181 93 A CA 2.146 54.182 52.037 -0.002 0.000 0.627 93 A CB -0.972 17.998 19.000 -0.050 0.000 0.818 93 A HN 0.516 nan 8.150 nan 0.000 0.445 94 A N -0.655 122.157 122.820 -0.014 0.000 1.898 94 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 94 A C 2.127 179.681 177.584 -0.051 0.000 1.181 94 A CA 1.676 53.700 52.037 -0.021 0.000 0.620 94 A CB -0.628 18.359 19.000 -0.021 0.000 0.819 94 A HN 0.723 nan 8.150 nan 0.000 0.442 95 L N -0.635 120.522 121.223 -0.109 0.000 2.042 95 L HA -0.161 4.178 4.340 -0.000 0.000 0.210 95 L C 1.825 178.531 176.870 -0.274 0.000 1.076 95 L CA 1.964 56.674 54.840 -0.215 0.000 0.749 95 L CB -0.671 41.193 42.059 -0.325 0.000 0.893 95 L HN 0.526 nan 8.230 nan 0.000 0.432 96 H N -0.148 118.900 119.070 -0.035 0.000 2.536 96 H HA 0.288 4.844 4.556 -0.000 0.000 0.276 96 H C 1.340 176.649 175.328 -0.031 0.000 1.019 96 H CA 0.485 56.510 56.048 -0.039 0.000 1.159 96 H CB -0.411 29.314 29.762 -0.062 0.000 1.373 96 H HN 0.469 nan 8.280 nan 0.000 0.584 97 G N 1.529 110.352 108.800 0.039 0.000 2.273 97 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 97 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 97 G C 0.862 175.784 174.900 0.037 0.000 1.047 97 G CA 0.277 45.395 45.100 0.029 0.000 0.869 97 G HN 0.465 nan 8.290 nan 0.000 0.502 98 L N -0.726 120.522 121.223 0.041 0.000 2.627 98 L HA 0.217 4.556 4.340 -0.000 0.000 0.232 98 L C 1.044 177.940 176.870 0.043 0.000 1.150 98 L CA 0.273 55.135 54.840 0.036 0.000 0.917 98 L CB -0.057 42.015 42.059 0.022 0.000 1.104 98 L HN 0.283 nan 8.230 nan 0.000 0.445 99 D N 0.559 120.982 120.400 0.038 0.000 2.803 99 D HA -0.123 4.517 4.640 -0.000 0.000 0.233 99 D C -2.150 174.194 176.300 0.074 0.000 1.182 99 D CA 0.088 54.116 54.000 0.047 0.000 0.726 99 D CB 0.032 40.859 40.800 0.045 0.000 0.987 99 D HN 0.199 nan 8.370 nan 0.000 0.412 100 P HA 0.160 nan 4.420 nan 0.000 0.275 100 P C -0.431 176.917 177.300 0.080 0.000 1.228 100 P CA 0.005 63.141 63.100 0.060 0.000 0.786 100 P CB 1.185 32.897 31.700 0.020 0.000 0.927 101 E N 2.205 122.463 120.200 0.096 0.000 2.182 101 E HA 0.336 4.686 4.350 -0.000 0.000 0.258 101 E C -1.301 175.316 176.600 0.028 0.000 0.879 101 E CA -0.876 55.585 56.400 0.101 0.000 0.754 101 E CB 0.873 30.717 29.700 0.239 0.000 1.162 101 E HN 0.059 nan 8.360 nan 0.000 0.419 102 V N 5.207 125.137 119.914 0.026 0.000 2.498 102 V HA 0.295 4.415 4.120 -0.000 0.000 0.279 102 V C -0.379 175.717 176.094 0.002 0.000 1.048 102 V CA -0.696 61.615 62.300 0.018 0.000 0.967 102 V CB 1.105 32.941 31.823 0.021 0.000 0.988 102 V HN 0.635 nan 8.190 nan 0.000 0.473 103 L N 5.235 126.467 121.223 0.015 0.000 2.318 103 L HA 0.553 4.893 4.340 -0.000 0.000 0.277 103 L C -0.264 176.548 176.870 -0.096 0.000 1.008 103 L CA 0.067 54.879 54.840 -0.047 0.000 0.846 103 L CB 1.041 43.127 42.059 0.045 0.000 1.220 103 L HN 0.571 nan 8.230 nan 0.000 0.423 104 D N 4.040 124.301 120.400 -0.231 0.000 2.264 104 D HA 0.375 5.015 4.640 -0.000 0.000 0.249 104 D C -0.912 175.061 176.300 -0.544 0.000 1.070 104 D CA 0.478 54.362 54.000 -0.194 0.000 0.912 104 D CB 1.162 41.905 40.800 -0.096 0.000 1.193 104 D HN 0.231 nan 8.370 nan 0.000 0.427 105 F N 0.411 120.386 119.950 0.042 0.000 2.576 105 F HA 0.311 4.838 4.527 -0.000 0.000 0.313 105 F C -2.060 173.768 175.800 0.047 0.000 1.078 105 F CA -2.213 55.812 58.000 0.041 0.000 0.921 105 F CB 1.641 40.669 39.000 0.046 0.000 1.232 105 F HN -0.021 nan 8.300 nan 0.000 0.459 106 P HA 0.111 nan 4.420 nan 0.000 0.263 106 P C -2.576 174.814 177.300 0.150 0.000 1.195 106 P CA -0.701 62.476 63.100 0.128 0.000 0.762 106 P CB 0.055 31.807 31.700 0.087 0.000 0.799 107 P HA 0.063 nan 4.420 nan 0.000 0.265 107 P C 1.021 178.432 177.300 0.186 0.000 1.193 107 P CA 1.200 64.430 63.100 0.217 0.000 0.765 107 P CB 0.293 32.143 31.700 0.250 0.000 0.823 108 G N 1.456 110.380 108.800 0.206 0.000 2.194 108 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.236 108 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.236 108 G C -0.068 174.819 174.900 -0.022 0.000 0.987 108 G CA -0.292 44.786 45.100 -0.035 0.000 0.635 108 G HN 0.548 nan 8.290 nan 0.000 0.520 109 E N 1.167 121.398 120.200 0.051 0.000 2.277 109 E HA 0.511 4.861 4.350 -0.000 0.000 0.266 109 E C -2.627 174.008 176.600 0.058 0.000 0.901 109 E CA -2.067 54.363 56.400 0.050 0.000 0.782 109 E CB 2.925 32.672 29.700 0.077 0.000 1.228 109 E HN 0.164 nan 8.360 nan 0.000 0.424 110 P HA 0.098 nan 4.420 nan 0.000 0.279 110 P C -0.237 176.962 177.300 -0.168 0.000 1.252 110 P CA -0.448 62.628 63.100 -0.041 0.000 0.811 110 P CB 0.889 32.569 31.700 -0.035 0.000 1.035 111 V N 2.364 122.069 119.914 -0.349 0.000 2.599 111 V HA -0.023 4.097 4.120 -0.000 0.000 0.300 111 V C 0.956 176.694 176.094 -0.592 0.000 1.034 111 V CA 0.627 62.364 62.300 -0.938 0.000 1.115 111 V CB -0.208 31.146 31.823 -0.782 0.000 0.934 111 V HN 0.584 nan 8.190 nan 0.000 0.485 112 D N 6.650 126.704 120.400 -0.578 0.000 2.313 112 D HA 0.258 4.897 4.640 -0.000 0.000 0.239 112 D C -1.635 174.624 176.300 -0.069 0.000 1.142 112 D CA -2.020 51.908 54.000 -0.120 0.000 0.847 112 D CB 2.104 42.971 40.800 0.112 0.000 1.082 112 D HN 0.209 nan 8.370 nan 0.000 0.480 113 P HA -0.157 nan 4.420 nan 0.000 0.216 113 P C 0.830 178.132 177.300 0.004 0.000 1.150 113 P CA 1.246 64.319 63.100 -0.046 0.000 0.843 113 P CB 0.341 32.008 31.700 -0.054 0.000 0.787 114 E N -0.428 119.786 120.200 0.024 0.000 2.110 114 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 114 E C 2.089 178.732 176.600 0.071 0.000 0.988 114 E CA 1.243 57.666 56.400 0.038 0.000 0.804 114 E CB -0.644 29.077 29.700 0.036 0.000 0.745 114 E HN 0.202 nan 8.360 nan 0.000 0.458 115 A N 1.306 124.203 122.820 0.128 0.000 1.930 115 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 115 A C 2.534 180.220 177.584 0.169 0.000 1.175 115 A CA 1.015 53.158 52.037 0.176 0.000 0.627 115 A CB -0.562 18.641 19.000 0.339 0.000 0.815 115 A HN 0.110 nan 8.150 nan 0.000 0.443 116 V N -0.165 119.847 119.914 0.164 0.000 2.358 116 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 116 V C 3.037 179.168 176.094 0.061 0.000 1.047 116 V CA 1.813 64.179 62.300 0.111 0.000 1.035 116 V CB -1.189 30.660 31.823 0.044 0.000 0.658 116 V HN 0.603 nan 8.190 nan 0.000 0.452 117 A N -0.070 122.775 122.820 0.042 0.000 1.933 117 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 117 A C 2.396 180.006 177.584 0.045 0.000 1.175 117 A CA 1.731 53.785 52.037 0.028 0.000 0.628 117 A CB -0.471 18.538 19.000 0.014 0.000 0.814 117 A HN 0.495 nan 8.150 nan 0.000 0.444 118 R N -0.707 119.824 120.500 0.053 0.000 2.075 118 R HA -0.052 4.287 4.340 -0.000 0.000 0.232 118 R C 2.480 178.821 176.300 0.068 0.000 1.126 118 R CA 1.144 57.275 56.100 0.052 0.000 0.963 118 R CB -0.438 29.890 30.300 0.047 0.000 0.858 118 R HN 0.516 nan 8.270 nan 0.000 0.435 119 A N 1.202 124.071 122.820 0.082 0.000 1.930 119 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 119 A C 2.091 179.779 177.584 0.173 0.000 1.175 119 A CA 1.015 53.120 52.037 0.112 0.000 0.627 119 A CB -0.431 18.622 19.000 0.089 0.000 0.815 119 A HN 0.184 nan 8.150 nan 0.000 0.443 120 L N -1.174 120.131 121.223 0.137 0.000 2.456 120 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 120 L C 2.178 179.125 176.870 0.128 0.000 1.148 120 L CA 0.962 55.905 54.840 0.172 0.000 0.825 120 L CB -0.180 41.939 42.059 0.100 0.000 0.937 120 L HN 0.356 nan 8.230 nan 0.000 0.450 121 K N -0.467 119.988 120.400 0.091 0.000 2.356 121 K HA 0.023 4.343 4.320 -0.000 0.000 0.195 121 K C 2.522 179.151 176.600 0.049 0.000 1.037 121 K CA 0.502 56.823 56.287 0.056 0.000 1.014 121 K CB 0.150 32.674 32.500 0.039 0.000 0.815 121 K HN 0.222 nan 8.250 nan 0.000 0.507 122 R N 1.876 122.420 120.500 0.072 0.000 2.073 122 R HA 0.055 4.395 4.340 -0.000 0.000 0.229 122 R C 1.255 177.562 176.300 0.012 0.000 1.120 122 R CA 1.364 57.496 56.100 0.052 0.000 0.967 122 R CB -0.420 29.927 30.300 0.079 0.000 0.862 122 R HN 0.171 nan 8.270 nan 0.000 0.436 123 R N -2.702 117.797 120.500 -0.002 0.000 2.710 123 R HA 0.589 4.929 4.340 -0.000 0.000 0.270 123 R C -1.270 174.848 176.300 -0.302 0.000 1.021 123 R CA -0.063 55.920 56.100 -0.194 0.000 0.889 123 R CB 1.346 31.436 30.300 -0.349 0.000 1.243 123 R HN 0.481 nan 8.270 nan 0.000 0.464 124 R N 2.100 122.412 120.500 -0.314 0.000 2.308 124 R HA 0.397 4.737 4.340 -0.000 0.000 0.305 124 R C -1.482 174.586 176.300 -0.386 0.000 1.053 124 R CA 0.182 56.155 56.100 -0.212 0.000 0.957 124 R CB 0.015 30.251 30.300 -0.108 0.000 1.022 124 R HN 0.496 nan 8.270 nan 0.000 0.461 125 Y N 0.721 121.038 120.300 0.028 0.000 2.429 125 Y HA 0.423 4.973 4.550 -0.000 0.000 0.342 125 Y C 1.374 177.299 175.900 0.041 0.000 1.004 125 Y CA -1.099 57.022 58.100 0.036 0.000 1.075 125 Y CB 2.404 40.891 38.460 0.046 0.000 1.214 125 Y HN 0.704 nan 8.280 nan 0.000 0.455 126 R N 1.516 122.136 120.500 0.201 0.000 2.119 126 R HA 0.139 4.479 4.340 -0.000 0.000 0.222 126 R C -0.280 176.118 176.300 0.162 0.000 1.088 126 R CA 1.238 57.422 56.100 0.140 0.000 0.984 126 R CB 0.217 30.583 30.300 0.110 0.000 0.884 126 R HN 0.783 nan 8.270 nan 0.000 0.447 127 M N -0.594 119.123 119.600 0.195 0.000 2.520 127 M HA 0.366 4.846 4.480 -0.000 0.000 0.280 127 M C -1.743 174.647 176.300 0.150 0.000 1.232 127 M CA -0.920 54.489 55.300 0.182 0.000 0.892 127 M CB 2.278 34.977 32.600 0.165 0.000 1.728 127 M HN -0.218 nan 8.290 nan 0.000 0.475 128 V N 2.809 122.841 119.914 0.197 0.000 2.448 128 V HA 0.846 4.966 4.120 -0.000 0.000 0.295 128 V C -0.346 175.935 176.094 0.311 0.000 1.025 128 V CA -0.645 61.755 62.300 0.166 0.000 0.859 128 V CB 1.380 33.297 31.823 0.157 0.000 0.988 128 V HN 0.891 nan 8.190 nan 0.000 0.431 129 A N 5.271 128.210 122.820 0.199 0.000 2.318 129 A HA 0.946 5.266 4.320 -0.000 0.000 0.324 129 A C -1.142 176.619 177.584 0.295 0.000 1.170 129 A CA -0.456 51.739 52.037 0.264 0.000 0.810 129 A CB 1.313 20.304 19.000 -0.015 0.000 1.198 129 A HN 0.858 nan 8.150 nan 0.000 0.484 130 L N 2.494 123.929 121.223 0.353 0.000 2.424 130 L HA 0.726 5.066 4.340 -0.000 0.000 0.258 130 L C -1.324 175.685 176.870 0.232 0.000 0.995 130 L CA -0.438 54.566 54.840 0.274 0.000 0.821 130 L CB 2.432 44.683 42.059 0.321 0.000 1.383 130 L HN 0.421 nan 8.230 nan 0.000 0.410 131 V N 4.139 124.177 119.914 0.206 0.000 2.347 131 V HA 0.241 4.361 4.120 -0.000 0.000 0.280 131 V C 0.820 177.018 176.094 0.174 0.000 1.021 131 V CA -0.409 61.996 62.300 0.176 0.000 0.847 131 V CB 0.848 32.793 31.823 0.202 0.000 0.990 131 V HN 0.922 nan 8.190 nan 0.000 0.444 132 H N 4.440 123.521 119.070 0.018 0.000 2.290 132 H HA -0.025 4.531 4.556 -0.000 0.000 0.298 132 H C 1.134 176.473 175.328 0.019 0.000 1.087 132 H CA 1.578 57.646 56.048 0.033 0.000 1.291 132 H CB 0.204 29.998 29.762 0.053 0.000 1.369 132 H HN 0.660 nan 8.280 nan 0.000 0.492 133 G N 0.357 109.186 108.800 0.049 0.000 2.728 133 G HA2 0.294 4.254 3.960 -0.000 0.000 0.296 133 G HA3 0.294 4.254 3.960 -0.000 0.000 0.296 133 G C -1.188 173.721 174.900 0.014 0.000 1.401 133 G CA -0.560 44.520 45.100 -0.034 0.000 1.007 133 G HN 0.189 nan 8.290 nan 0.000 0.527 134 E N 2.163 122.412 120.200 0.080 0.000 2.029 134 E HA 0.225 4.575 4.350 -0.000 0.000 0.276 134 E C 1.458 178.151 176.600 0.156 0.000 1.163 134 E CA -0.186 56.307 56.400 0.155 0.000 0.909 134 E CB 0.316 30.127 29.700 0.185 0.000 1.046 134 E HN 0.318 nan 8.360 nan 0.000 0.406 135 T N 1.639 116.275 114.554 0.137 0.000 2.881 135 T HA -0.196 4.154 4.350 -0.000 0.000 0.270 135 T C 1.643 176.487 174.700 0.239 0.000 1.068 135 T CA 1.499 63.675 62.100 0.126 0.000 1.131 135 T CB -0.176 68.669 68.868 -0.038 0.000 0.871 135 T HN 0.531 nan 8.240 nan 0.000 0.479 136 S N 1.551 117.461 115.700 0.349 0.000 2.453 136 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 136 S C 2.010 176.657 174.600 0.078 0.000 1.005 136 S CA 1.217 59.530 58.200 0.190 0.000 0.949 136 S CB -0.605 62.661 63.200 0.110 0.000 0.774 136 S HN 0.692 nan 8.310 nan 0.000 0.510 137 T N -4.121 110.521 114.554 0.146 0.000 2.958 137 T HA 0.526 4.876 4.350 -0.000 0.000 0.256 137 T C 1.428 176.288 174.700 0.266 0.000 0.983 137 T CA 0.517 62.741 62.100 0.208 0.000 0.924 137 T CB 0.024 69.092 68.868 0.333 0.000 1.136 137 T HN 1.204 nan 8.240 nan 0.000 0.506 138 G N 1.173 110.082 108.800 0.181 0.000 2.160 138 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.244 138 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.244 138 G C -0.118 174.866 174.900 0.140 0.000 1.022 138 G CA 0.034 45.233 45.100 0.164 0.000 0.741 138 G HN 0.762 nan 8.290 nan 0.000 0.508 139 V N 0.535 120.523 119.914 0.123 0.000 2.459 139 V HA 0.686 4.806 4.120 -0.000 0.000 0.295 139 V C 0.267 176.386 176.094 0.041 0.000 1.029 139 V CA -0.977 61.371 62.300 0.081 0.000 0.874 139 V CB 1.792 33.676 31.823 0.101 0.000 0.985 139 V HN 0.432 nan 8.190 nan 0.000 0.438 140 L N 5.822 127.048 121.223 0.005 0.000 2.257 140 L HA 0.541 4.881 4.340 -0.000 0.000 0.290 140 L C 0.069 176.960 176.870 0.035 0.000 1.044 140 L CA 0.191 55.025 54.840 -0.010 0.000 0.810 140 L CB 0.708 42.728 42.059 -0.066 0.000 1.193 140 L HN 0.570 nan 8.230 nan 0.000 0.425 141 N N 6.189 124.945 118.700 0.094 0.000 2.513 141 N HA 0.369 5.109 4.740 -0.000 0.000 0.274 141 N C -2.384 173.194 175.510 0.112 0.000 1.189 141 N CA -1.422 51.674 53.050 0.077 0.000 0.975 141 N CB 0.834 39.364 38.487 0.072 0.000 1.157 141 N HN 0.448 nan 8.380 nan 0.000 0.465 142 P HA 0.122 nan 4.420 nan 0.000 0.237 142 P C 0.118 177.417 177.300 -0.003 0.000 1.788 142 P CA -0.076 63.033 63.100 0.014 0.000 1.061 142 P CB -0.251 31.431 31.700 -0.030 0.000 1.967 143 A N 2.520 125.339 122.820 -0.001 0.000 1.917 143 A HA -0.228 4.091 4.320 -0.000 0.000 0.219 143 A C 2.278 179.839 177.584 -0.038 0.000 1.182 143 A CA 1.647 53.666 52.037 -0.030 0.000 0.633 143 A CB -1.031 17.716 19.000 -0.422 0.000 0.819 143 A HN 0.384 nan 8.150 nan 0.000 0.448 144 E N -0.435 119.710 120.200 -0.091 0.000 2.051 144 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 144 E C 2.237 178.761 176.600 -0.127 0.000 0.991 144 E CA 1.058 57.397 56.400 -0.102 0.000 0.799 144 E CB -0.256 29.392 29.700 -0.086 0.000 0.748 144 E HN 0.565 nan 8.360 nan 0.000 0.449 145 A N 0.871 123.627 122.820 -0.106 0.000 1.902 145 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 145 A C 2.135 179.614 177.584 -0.175 0.000 1.181 145 A CA 1.276 53.244 52.037 -0.115 0.000 0.623 145 A CB -0.575 18.377 19.000 -0.081 0.000 0.818 145 A HN 0.309 nan 8.150 nan 0.000 0.443 146 I N -0.486 119.955 120.570 -0.214 0.000 2.315 146 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 146 I C 2.673 178.390 176.117 -0.667 0.000 1.117 146 I CA 0.929 62.032 61.300 -0.328 0.000 1.404 146 I CB -0.593 37.274 38.000 -0.222 0.000 1.071 146 I HN 0.402 nan 8.210 nan 0.000 0.419 147 G N 0.728 109.022 108.800 -0.843 0.000 2.440 147 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 147 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 147 G C 1.872 176.497 174.900 -0.459 0.000 1.154 147 G CA 0.861 45.358 45.100 -1.006 0.000 0.767 147 G HN 0.484 nan 8.290 nan 0.000 0.552 148 A N 0.535 123.184 122.820 -0.285 0.000 1.902 148 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 148 A C 2.444 179.933 177.584 -0.158 0.000 1.181 148 A CA 1.315 53.249 52.037 -0.171 0.000 0.623 148 A CB -0.389 18.537 19.000 -0.124 0.000 0.818 148 A HN 0.364 nan 8.150 nan 0.000 0.443 149 L N -0.928 120.184 121.223 -0.185 0.000 2.093 149 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 149 L C 3.094 179.887 176.870 -0.128 0.000 1.085 149 L CA 0.979 55.740 54.840 -0.132 0.000 0.755 149 L CB -0.560 41.426 42.059 -0.121 0.000 0.904 149 L HN 0.441 nan 8.230 nan 0.000 0.435 150 A N 0.624 123.314 122.820 -0.217 0.000 1.902 150 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 150 A C 2.666 180.208 177.584 -0.070 0.000 1.181 150 A CA 2.362 54.311 52.037 -0.148 0.000 0.623 150 A CB -0.712 18.135 19.000 -0.255 0.000 0.818 150 A HN 0.338 nan 8.150 nan 0.000 0.443 151 K N 0.224 120.568 120.400 -0.094 0.000 2.057 151 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 151 K C 1.777 178.359 176.600 -0.028 0.000 1.049 151 K CA 1.798 58.059 56.287 -0.043 0.000 0.931 151 K CB -0.914 31.555 32.500 -0.051 0.000 0.714 151 K HN 0.756 nan 8.250 nan 0.000 0.440 152 E N -0.187 119.989 120.200 -0.039 0.000 2.085 152 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 152 E C 2.273 178.870 176.600 -0.005 0.000 0.994 152 E CA 0.925 57.311 56.400 -0.023 0.000 0.801 152 E CB -0.178 29.505 29.700 -0.028 0.000 0.743 152 E HN 0.604 nan 8.360 nan 0.000 0.453 153 A N 0.279 123.100 122.820 0.002 0.000 2.206 153 A HA 0.179 4.499 4.320 -0.000 0.000 0.211 153 A C 1.723 179.330 177.584 0.038 0.000 1.158 153 A CA 0.862 52.917 52.037 0.029 0.000 0.761 153 A CB -0.383 18.650 19.000 0.055 0.000 0.801 153 A HN 0.346 nan 8.150 nan 0.000 0.473 154 G N -2.061 106.755 108.800 0.026 0.000 2.160 154 G HA2 0.095 4.054 3.960 -0.000 0.000 0.251 154 G HA3 0.095 4.054 3.960 -0.000 0.000 0.251 154 G C 0.256 175.188 174.900 0.054 0.000 1.008 154 G CA 0.446 45.564 45.100 0.031 0.000 0.724 154 G HN 1.616 nan 8.290 nan 0.000 0.514 155 A N -0.268 122.594 122.820 0.070 0.000 2.324 155 A HA 0.834 5.154 4.320 -0.000 0.000 0.330 155 A C 0.582 178.239 177.584 0.121 0.000 1.165 155 A CA -0.651 51.451 52.037 0.108 0.000 0.813 155 A CB 0.883 19.970 19.000 0.144 0.000 1.197 155 A HN 0.753 nan 8.150 nan 0.000 0.484 156 L N 1.157 122.465 121.223 0.141 0.000 2.483 156 L HA 0.157 4.497 4.340 -0.000 0.000 0.275 156 L C -0.351 176.695 176.870 0.293 0.000 1.220 156 L CA 0.129 55.070 54.840 0.168 0.000 0.833 156 L CB 0.251 42.394 42.059 0.139 0.000 1.102 156 L HN 0.705 nan 8.230 nan 0.000 0.490 157 F N 3.353 123.364 119.950 0.103 0.000 2.382 157 F HA 0.338 4.865 4.527 -0.000 0.000 0.361 157 F C -0.620 175.313 175.800 0.221 0.000 1.109 157 F CA -1.487 56.590 58.000 0.129 0.000 1.031 157 F CB 0.832 39.863 39.000 0.051 0.000 1.234 157 F HN 0.117 nan 8.300 nan 0.000 0.445 158 F N 8.043 127.986 119.950 -0.011 0.000 2.411 158 F HA 0.609 5.136 4.527 -0.000 0.000 0.355 158 F C -1.671 173.959 175.800 -0.284 0.000 1.117 158 F CA -0.715 57.279 58.000 -0.011 0.000 1.139 158 F CB 0.857 39.941 39.000 0.140 0.000 1.120 158 F HN 0.392 nan 8.300 nan 0.000 0.493 159 L N 7.198 128.111 121.223 -0.517 0.000 2.404 159 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 159 L C -1.168 175.451 176.870 -0.419 0.000 0.980 159 L CA -0.494 54.079 54.840 -0.445 0.000 0.836 159 L CB 1.246 42.941 42.059 -0.606 0.000 1.238 159 L HN 0.580 nan 8.230 nan 0.000 0.408 160 D N 4.338 124.569 120.400 -0.281 0.000 2.338 160 D HA 0.282 4.922 4.640 -0.000 0.000 0.255 160 D C 0.182 176.207 176.300 -0.459 0.000 1.237 160 D CA 0.324 53.934 54.000 -0.650 0.000 0.883 160 D CB 1.743 42.470 40.800 -0.121 0.000 1.087 160 D HN 0.702 nan 8.370 nan 0.000 0.485 161 A N 3.896 126.336 122.820 -0.634 0.000 2.545 161 A HA 0.172 4.492 4.320 -0.000 0.000 0.277 161 A C 1.940 179.289 177.584 -0.391 0.000 1.301 161 A CA -0.304 51.524 52.037 -0.348 0.000 0.935 161 A CB 0.115 18.814 19.000 -0.502 0.000 1.093 161 A HN 0.483 nan 8.150 nan 0.000 0.519 162 V N 0.724 120.385 119.914 -0.420 0.000 2.282 162 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 162 V C 2.773 178.719 176.094 -0.246 0.000 1.057 162 V CA 2.714 64.829 62.300 -0.309 0.000 1.032 162 V CB -0.854 30.799 31.823 -0.283 0.000 0.645 162 V HN 0.819 nan 8.190 nan 0.000 0.447 163 T N -3.407 111.012 114.554 -0.225 0.000 3.144 163 T HA 0.041 4.391 4.350 -0.000 0.000 0.249 163 T C 1.178 175.761 174.700 -0.195 0.000 1.089 163 T CA 0.870 62.858 62.100 -0.185 0.000 0.989 163 T CB 0.055 68.830 68.868 -0.156 0.000 0.992 163 T HN 0.666 nan 8.240 nan 0.000 0.540 164 T N -1.041 113.381 114.554 -0.220 0.000 3.115 164 T HA 0.349 4.699 4.350 -0.000 0.000 0.256 164 T C 0.388 174.968 174.700 -0.201 0.000 0.970 164 T CA -0.464 61.514 62.100 -0.204 0.000 1.010 164 T CB -0.584 68.137 68.868 -0.244 0.000 1.151 164 T HN 0.231 nan 8.240 nan 0.000 0.479 165 L N 3.274 124.279 121.223 -0.363 0.000 2.584 165 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 165 L C 1.305 177.963 176.870 -0.354 0.000 1.195 165 L CA 1.922 56.441 54.840 -0.534 0.000 0.920 165 L CB -0.132 41.430 42.059 -0.829 0.000 1.173 165 L HN 0.770 nan 8.230 nan 0.000 0.489 166 G N 3.675 112.311 108.800 -0.274 0.000 2.176 166 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.232 166 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.232 166 G C 0.415 175.238 174.900 -0.128 0.000 0.986 166 G CA 0.508 45.490 45.100 -0.196 0.000 0.643 166 G HN 0.629 nan 8.290 nan 0.000 0.522 167 M N -1.042 118.490 119.600 -0.113 0.000 1.957 167 M HA 0.533 5.013 4.480 -0.000 0.000 0.281 167 M C 0.279 176.543 176.300 -0.061 0.000 1.076 167 M CA 0.809 56.060 55.300 -0.080 0.000 1.083 167 M CB 0.605 33.154 32.600 -0.086 0.000 1.933 167 M HN 0.110 nan 8.290 nan 0.000 0.667 168 L N 0.227 121.418 121.223 -0.053 0.000 2.301 168 L HA 0.614 4.954 4.340 -0.000 0.000 0.264 168 L C -2.268 174.632 176.870 0.050 0.000 1.016 168 L CA -2.324 52.504 54.840 -0.020 0.000 0.821 168 L CB 1.096 43.121 42.059 -0.057 0.000 1.346 168 L HN -0.174 nan 8.230 nan 0.000 0.429 169 P HA 0.056 nan 4.420 nan 0.000 0.265 169 P C -1.314 176.105 177.300 0.197 0.000 1.187 169 P CA 0.548 63.701 63.100 0.088 0.000 0.766 169 P CB 0.195 31.922 31.700 0.045 0.000 0.820 170 F N 1.644 121.601 119.950 0.010 0.000 2.622 170 F HA 0.496 5.023 4.527 -0.000 0.000 0.318 170 F C -1.196 174.612 175.800 0.014 0.000 1.135 170 F CA -0.225 57.792 58.000 0.027 0.000 1.015 170 F CB 1.642 40.647 39.000 0.009 0.000 1.275 170 F HN 0.200 nan 8.300 nan 0.000 0.457 171 S N 6.906 122.373 115.700 -0.388 0.000 2.652 171 S HA 0.336 4.806 4.470 -0.000 0.000 0.273 171 S C 0.308 174.730 174.600 -0.296 0.000 1.172 171 S CA -0.625 57.482 58.200 -0.155 0.000 1.009 171 S CB 1.071 64.225 63.200 -0.077 0.000 1.094 171 S HN 0.835 nan 8.310 nan 0.000 0.471 172 M N 3.295 122.834 119.600 -0.101 0.000 2.117 172 M HA -0.084 4.395 4.480 -0.000 0.000 0.262 172 M C 2.205 178.466 176.300 -0.066 0.000 1.065 172 M CA 1.633 56.881 55.300 -0.087 0.000 1.114 172 M CB -0.268 32.346 32.600 0.023 0.000 1.361 172 M HN 0.656 nan 8.290 nan 0.000 0.408 173 R N 0.283 120.761 120.500 -0.037 0.000 2.080 173 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 173 R C 2.395 178.667 176.300 -0.046 0.000 1.137 173 R CA 1.768 57.849 56.100 -0.030 0.000 0.943 173 R CB -0.750 29.540 30.300 -0.017 0.000 0.846 173 R HN 0.396 nan 8.270 nan 0.000 0.431 174 A N 0.879 123.659 122.820 -0.066 0.000 1.902 174 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 174 A C 2.013 179.546 177.584 -0.086 0.000 1.181 174 A CA 1.423 53.416 52.037 -0.073 0.000 0.623 174 A CB -0.351 18.600 19.000 -0.081 0.000 0.818 174 A HN 0.220 nan 8.150 nan 0.000 0.443 175 M N -0.760 118.769 119.600 -0.119 0.000 2.563 175 M HA 0.164 4.644 4.480 -0.000 0.000 0.231 175 M C 1.163 177.476 176.300 0.022 0.000 1.136 175 M CA 0.575 55.824 55.300 -0.084 0.000 1.026 175 M CB 0.001 32.506 32.600 -0.159 0.000 1.597 175 M HN 0.594 nan 8.290 nan 0.000 0.495 176 G N 1.707 110.513 108.800 0.009 0.000 2.305 176 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.287 176 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.287 176 G C -0.091 174.936 174.900 0.211 0.000 1.036 176 G CA -0.178 44.956 45.100 0.056 0.000 0.887 176 G HN 0.356 nan 8.290 nan 0.000 0.505 177 V N 0.158 120.171 119.914 0.165 0.000 2.583 177 V HA 0.277 4.396 4.120 -0.000 0.000 0.287 177 V C 0.998 177.113 176.094 0.034 0.000 1.051 177 V CA 0.121 62.490 62.300 0.115 0.000 1.010 177 V CB 1.592 33.358 31.823 -0.096 0.000 0.988 177 V HN 0.344 nan 8.190 nan 0.000 0.478 178 D N 1.890 122.319 120.400 0.048 0.000 2.380 178 D HA 0.079 4.719 4.640 -0.000 0.000 0.212 178 D C -0.343 175.961 176.300 0.006 0.000 1.021 178 D CA 0.905 54.913 54.000 0.013 0.000 0.884 178 D CB 0.879 41.705 40.800 0.044 0.000 1.001 178 D HN 0.543 nan 8.370 nan 0.000 0.506 179 Y N 0.737 120.959 120.300 -0.130 0.000 2.361 179 Y HA 0.484 5.034 4.550 -0.000 0.000 0.328 179 Y C -1.487 174.241 175.900 -0.285 0.000 1.044 179 Y CA -0.873 57.134 58.100 -0.156 0.000 1.085 179 Y CB 1.487 39.964 38.460 0.028 0.000 1.194 179 Y HN -0.134 nan 8.280 nan 0.000 0.438 180 A N 5.857 128.223 122.820 -0.756 0.000 2.454 180 A HA 0.911 5.231 4.320 -0.000 0.000 0.302 180 A C -1.786 175.437 177.584 -0.602 0.000 1.079 180 A CA -0.498 51.216 52.037 -0.539 0.000 0.731 180 A CB 1.226 20.100 19.000 -0.211 0.000 1.299 180 A HN 0.967 nan 8.150 nan 0.000 0.413 181 F N -1.073 118.660 119.950 -0.363 0.000 2.773 181 F HA 0.893 5.420 4.527 -0.000 0.000 0.314 181 F C -0.685 175.073 175.800 -0.070 0.000 1.160 181 F CA -0.137 57.745 58.000 -0.196 0.000 0.920 181 F CB 1.155 40.019 39.000 -0.225 0.000 1.323 181 F HN 0.913 nan 8.300 nan 0.000 0.457 182 T N -0.777 113.853 114.554 0.126 0.000 2.661 182 T HA 0.679 5.029 4.350 -0.000 0.000 0.305 182 T C -1.236 173.536 174.700 0.121 0.000 1.441 182 T CA -0.184 61.900 62.100 -0.027 0.000 0.999 182 T CB 1.183 69.930 68.868 -0.201 0.000 1.650 182 T HN 1.567 nan 8.240 nan 0.000 0.489 183 G N 0.390 109.210 108.800 0.034 0.000 2.473 183 G HA2 0.504 4.463 3.960 -0.000 0.000 0.321 183 G HA3 0.504 4.463 3.960 -0.000 0.000 0.321 183 G C 1.082 175.981 174.900 -0.002 0.000 1.200 183 G CA 0.213 45.343 45.100 0.050 0.000 0.963 183 G HN 1.028 nan 8.290 nan 0.000 0.483 184 S N 0.094 115.802 115.700 0.014 0.000 2.423 184 S HA -0.163 4.306 4.470 -0.000 0.000 0.231 184 S C 1.716 176.313 174.600 -0.006 0.000 1.014 184 S CA 1.432 59.631 58.200 -0.001 0.000 0.965 184 S CB -0.038 63.177 63.200 0.024 0.000 0.785 184 S HN 0.672 nan 8.310 nan 0.000 0.495 185 Q N 0.940 120.743 119.800 0.005 0.000 2.322 185 Q HA 0.226 4.566 4.340 -0.000 0.000 0.203 185 Q C 0.443 176.435 176.000 -0.013 0.000 0.923 185 Q CA 0.062 55.868 55.803 0.004 0.000 0.949 185 Q CB -0.014 28.738 28.738 0.022 0.000 1.039 185 Q HN 0.343 nan 8.270 nan 0.000 0.496 186 K N 0.494 120.871 120.400 -0.038 0.000 4.085 186 K HA 0.197 4.517 4.320 -0.000 0.000 0.195 186 K C 1.877 178.438 176.600 -0.066 0.000 1.134 186 K CA 0.318 56.570 56.287 -0.060 0.000 1.809 186 K CB -0.939 31.503 32.500 -0.096 0.000 2.561 186 K HN 0.091 nan 8.250 nan 0.000 0.604 187 C N 1.855 121.098 119.300 -0.096 0.000 2.410 187 C HA -0.029 4.431 4.460 -0.000 0.000 0.281 187 C C 2.702 177.640 174.990 -0.086 0.000 1.318 187 C CA 0.541 59.503 59.018 -0.094 0.000 1.776 187 C CB -1.201 26.462 27.740 -0.129 0.000 1.942 187 C HN 0.353 nan 8.230 nan 0.000 0.508 188 L N 0.522 121.689 121.223 -0.093 0.000 2.465 188 L HA -0.029 4.311 4.340 -0.000 0.000 0.224 188 L C 1.499 178.343 176.870 -0.044 0.000 1.145 188 L CA 0.525 55.317 54.840 -0.080 0.000 0.834 188 L CB -0.595 41.409 42.059 -0.092 0.000 0.944 188 L HN 0.280 nan 8.230 nan 0.000 0.451 189 S N -0.237 115.443 115.700 -0.032 0.000 3.581 189 S HA -0.184 4.285 4.470 -0.000 0.000 0.354 189 S C 0.410 175.010 174.600 0.000 0.000 1.059 189 S CA 0.476 58.669 58.200 -0.012 0.000 1.060 189 S CB -0.989 62.207 63.200 -0.008 0.000 0.908 189 S HN 0.592 nan 8.310 nan 0.000 0.475 190 A N 0.742 123.563 122.820 0.001 0.000 2.288 190 A HA 0.824 5.144 4.320 -0.000 0.000 0.328 190 A C -2.709 174.892 177.584 0.028 0.000 1.123 190 A CA -2.021 50.027 52.037 0.018 0.000 0.861 190 A CB 0.512 19.523 19.000 0.018 0.000 1.272 190 A HN 0.179 nan 8.150 nan 0.000 0.490 191 P HA 0.210 nan 4.420 nan 0.000 0.271 191 P C -2.441 174.889 177.300 0.050 0.000 1.216 191 P CA -0.730 62.398 63.100 0.046 0.000 0.776 191 P CB 0.130 31.864 31.700 0.056 0.000 0.881 192 P HA 0.096 nan 4.420 nan 0.000 0.272 192 P C 0.590 177.931 177.300 0.068 0.000 1.230 192 P CA 0.443 63.576 63.100 0.055 0.000 0.788 192 P CB 0.585 32.316 31.700 0.052 0.000 0.949 193 G N 0.204 109.052 108.800 0.080 0.000 2.485 193 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.181 193 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.181 193 G C -0.411 174.564 174.900 0.126 0.000 0.999 193 G CA -0.412 44.747 45.100 0.098 0.000 0.721 193 G HN 0.440 nan 8.290 nan 0.000 0.486 194 L N 0.641 121.930 121.223 0.110 0.000 2.354 194 L HA 0.855 5.195 4.340 -0.000 0.000 0.264 194 L C -0.168 176.752 176.870 0.083 0.000 1.008 194 L CA -0.857 54.051 54.840 0.113 0.000 0.819 194 L CB 2.410 44.525 42.059 0.094 0.000 1.339 194 L HN 0.279 nan 8.230 nan 0.000 0.420 195 A N 2.631 125.496 122.820 0.074 0.000 2.545 195 A HA 0.682 5.002 4.320 -0.000 0.000 0.300 195 A C -2.678 174.925 177.584 0.032 0.000 1.252 195 A CA -1.401 50.681 52.037 0.075 0.000 0.753 195 A CB 0.526 19.583 19.000 0.096 0.000 1.144 195 A HN 0.293 nan 8.150 nan 0.000 0.457 196 P HA 0.353 nan 4.420 nan 0.000 0.267 196 P C -0.525 176.838 177.300 0.105 0.000 1.205 196 P CA 0.346 63.463 63.100 0.028 0.000 0.765 196 P CB 0.533 32.251 31.700 0.030 0.000 0.828 197 I N 0.161 120.688 120.570 -0.073 0.000 2.969 197 I HA 0.926 5.096 4.170 -0.000 0.000 0.307 197 I C -1.431 174.300 176.117 -0.643 0.000 1.149 197 I CA -1.458 59.644 61.300 -0.330 0.000 1.008 197 I CB 2.223 40.075 38.000 -0.246 0.000 1.232 197 I HN 0.276 nan 8.210 nan 0.000 0.435 198 A N 2.926 125.152 122.820 -0.990 0.000 2.429 198 A HA 0.949 5.269 4.320 -0.000 0.000 0.289 198 A C -1.010 176.211 177.584 -0.606 0.000 1.043 198 A CA -0.121 51.402 52.037 -0.856 0.000 0.722 198 A CB 1.224 19.423 19.000 -1.335 0.000 1.243 198 A HN 1.614 nan 8.150 nan 0.000 0.415 199 A N 2.135 124.782 122.820 -0.289 0.000 2.319 199 A HA 0.744 5.064 4.320 -0.000 0.000 0.310 199 A C 0.468 177.965 177.584 -0.145 0.000 1.152 199 A CA 0.138 52.106 52.037 -0.114 0.000 0.783 199 A CB 0.548 19.604 19.000 0.094 0.000 1.184 199 A HN 2.058 nan 8.150 nan 0.000 0.474 200 S N 2.419 118.032 115.700 -0.146 0.000 2.580 200 S HA 0.204 4.673 4.470 -0.000 0.000 0.266 200 S C 1.235 175.761 174.600 -0.123 0.000 1.354 200 S CA -0.200 57.929 58.200 -0.117 0.000 1.008 200 S CB 0.326 63.473 63.200 -0.089 0.000 0.898 200 S HN 0.823 nan 8.310 nan 0.000 0.555 201 L N 0.363 121.534 121.223 -0.087 0.000 2.043 201 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 201 L C 2.627 179.438 176.870 -0.097 0.000 1.075 201 L CA 1.755 56.549 54.840 -0.077 0.000 0.752 201 L CB -0.484 41.545 42.059 -0.049 0.000 0.891 201 L HN 0.757 nan 8.230 nan 0.000 0.432 202 E N -0.156 119.987 120.200 -0.096 0.000 2.110 202 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 202 E C 2.128 178.621 176.600 -0.179 0.000 0.988 202 E CA 1.235 57.577 56.400 -0.098 0.000 0.804 202 E CB -0.172 29.492 29.700 -0.061 0.000 0.745 202 E HN 0.590 nan 8.360 nan 0.000 0.458 203 A N 1.406 124.055 122.820 -0.285 0.000 1.898 203 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 203 A C 2.173 179.281 177.584 -0.794 0.000 1.181 203 A CA 1.263 52.915 52.037 -0.642 0.000 0.620 203 A CB -0.381 18.190 19.000 -0.715 0.000 0.819 203 A HN 0.120 nan 8.150 nan 0.000 0.442 204 R N -0.097 120.154 120.500 -0.415 0.000 2.081 204 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 204 R C 2.143 178.399 176.300 -0.075 0.000 1.131 204 R CA 1.673 57.668 56.100 -0.175 0.000 0.960 204 R CB -0.322 29.931 30.300 -0.078 0.000 0.856 204 R HN 0.495 nan 8.270 nan 0.000 0.436 205 K N 0.319 120.666 120.400 -0.089 0.000 2.097 205 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 205 K C 1.983 178.579 176.600 -0.006 0.000 1.049 205 K CA 1.486 57.752 56.287 -0.035 0.000 0.933 205 K CB -0.043 32.434 32.500 -0.038 0.000 0.717 205 K HN 0.167 nan 8.250 nan 0.000 0.442 206 A N 0.421 123.222 122.820 -0.032 0.000 2.132 206 A HA 0.096 4.416 4.320 -0.000 0.000 0.213 206 A C 0.745 178.464 177.584 0.225 0.000 1.154 206 A CA -0.047 52.023 52.037 0.054 0.000 0.753 206 A CB -0.102 18.915 19.000 0.027 0.000 0.826 206 A HN 0.191 nan 8.150 nan 0.000 0.469 207 F N 1.925 121.865 119.950 -0.018 0.000 2.661 207 F HA 0.076 4.603 4.527 -0.000 0.000 0.356 207 F C 1.350 177.125 175.800 -0.042 0.000 1.244 207 F CA 0.184 58.160 58.000 -0.040 0.000 1.290 207 F CB 0.194 39.168 39.000 -0.044 0.000 1.677 207 F HN 0.303 nan 8.300 nan 0.000 0.649 208 T N -2.429 112.203 114.554 0.130 0.000 3.084 208 T HA 0.191 4.541 4.350 -0.000 0.000 0.270 208 T C 0.864 175.569 174.700 0.009 0.000 1.008 208 T CA -0.305 61.827 62.100 0.052 0.000 0.900 208 T CB 0.427 69.322 68.868 0.045 0.000 1.084 208 T HN 0.319 nan 8.240 nan 0.000 0.538 209 G N 1.612 110.401 108.800 -0.019 0.000 2.442 209 G HA2 0.485 4.445 3.960 -0.000 0.000 0.249 209 G HA3 0.485 4.445 3.960 -0.000 0.000 0.249 209 G C -0.446 174.411 174.900 -0.072 0.000 1.263 209 G CA -0.578 44.492 45.100 -0.050 0.000 0.846 209 G HN 0.147 nan 8.290 nan 0.000 0.555 210 K N 2.332 122.707 120.400 -0.041 0.000 2.527 210 K HA 0.312 4.632 4.320 -0.000 0.000 0.240 210 K C 0.560 177.158 176.600 -0.004 0.000 0.989 210 K CA -0.482 55.788 56.287 -0.029 0.000 0.985 210 K CB 1.819 34.317 32.500 -0.003 0.000 1.221 210 K HN 0.647 nan 8.250 nan 0.000 0.458 211 R N -0.171 120.320 120.500 -0.015 0.000 2.513 211 R HA 0.219 4.559 4.340 -0.000 0.000 0.245 211 R C 0.620 176.968 176.300 0.079 0.000 0.908 211 R CA -0.176 55.947 56.100 0.040 0.000 1.023 211 R CB 1.574 31.907 30.300 0.055 0.000 1.338 211 R HN 0.474 nan 8.270 nan 0.000 0.575 212 G N -0.782 108.053 108.800 0.058 0.000 2.706 212 G HA2 0.251 4.211 3.960 -0.000 0.000 0.297 212 G HA3 0.251 4.211 3.960 -0.000 0.000 0.297 212 G C -1.237 173.767 174.900 0.173 0.000 1.403 212 G CA -0.675 44.505 45.100 0.132 0.000 0.954 212 G HN 0.164 nan 8.290 nan 0.000 0.500 213 W N 1.237 122.593 121.300 0.094 0.000 2.539 213 W HA 0.094 4.754 4.660 -0.000 0.000 0.299 213 W C 1.976 178.629 176.519 0.224 0.000 1.165 213 W CA 1.140 58.562 57.345 0.129 0.000 1.400 213 W CB -0.059 29.476 29.460 0.125 0.000 1.123 213 W HN 0.585 nan 8.180 nan 0.000 0.533 214 Y N 1.572 122.167 120.300 0.492 0.000 2.207 214 Y HA -0.201 4.349 4.550 -0.000 0.000 0.287 214 Y C 1.877 177.904 175.900 0.211 0.000 1.156 214 Y CA 2.384 60.700 58.100 0.360 0.000 1.182 214 Y CB -0.582 38.006 38.460 0.213 0.000 0.979 214 Y HN 0.006 nan 8.280 nan 0.000 0.521 215 L N -1.254 120.078 121.223 0.182 0.000 2.653 215 L HA 0.251 4.591 4.340 -0.000 0.000 0.231 215 L C -0.122 176.699 176.870 -0.083 0.000 1.153 215 L CA -0.036 54.821 54.840 0.029 0.000 0.933 215 L CB -0.777 41.305 42.059 0.039 0.000 1.175 215 L HN -0.072 nan 8.230 nan 0.000 0.473 216 D N 1.080 121.405 120.400 -0.126 0.000 2.363 216 D HA 0.043 4.683 4.640 -0.000 0.000 0.263 216 D C 1.057 177.216 176.300 -0.235 0.000 1.258 216 D CA 0.320 54.192 54.000 -0.214 0.000 0.907 216 D CB 0.873 41.489 40.800 -0.307 0.000 1.107 216 D HN 0.303 nan 8.370 nan 0.000 0.495 217 L N 3.417 124.540 121.223 -0.166 0.000 2.362 217 L HA -0.127 4.213 4.340 -0.000 0.000 0.219 217 L C 2.360 179.170 176.870 -0.100 0.000 1.134 217 L CA 0.758 55.540 54.840 -0.097 0.000 0.807 217 L CB -0.170 41.895 42.059 0.010 0.000 0.927 217 L HN 0.434 nan 8.230 nan 0.000 0.447 218 A N 0.238 122.979 122.820 -0.132 0.000 1.929 218 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 218 A C 2.387 179.846 177.584 -0.208 0.000 1.176 218 A CA 0.993 52.958 52.037 -0.120 0.000 0.628 218 A CB -0.273 18.666 19.000 -0.103 0.000 0.816 218 A HN 0.299 nan 8.150 nan 0.000 0.444 219 R N -0.660 119.609 120.500 -0.386 0.000 2.092 219 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 219 R C 1.953 177.864 176.300 -0.648 0.000 1.119 219 R CA 1.289 56.999 56.100 -0.651 0.000 0.970 219 R CB -0.455 29.152 30.300 -1.155 0.000 0.864 219 R HN 0.368 nan 8.270 nan 0.000 0.440 220 V N 1.067 120.702 119.914 -0.464 0.000 2.407 220 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 220 V C 2.418 178.597 176.094 0.142 0.000 1.055 220 V CA 1.943 64.205 62.300 -0.064 0.000 1.049 220 V CB -0.605 31.215 31.823 -0.005 0.000 0.662 220 V HN 0.395 nan 8.190 nan 0.000 0.455 221 A N 0.107 122.942 122.820 0.025 0.000 1.902 221 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 221 A C 2.182 179.811 177.584 0.075 0.000 1.181 221 A CA 1.993 54.073 52.037 0.072 0.000 0.623 221 A CB -0.546 18.463 19.000 0.016 0.000 0.818 221 A HN 0.558 nan 8.150 nan 0.000 0.443 222 E N -0.354 119.851 120.200 0.007 0.000 2.097 222 E HA -0.282 4.068 4.350 -0.000 0.000 0.196 222 E C 1.751 178.388 176.600 0.061 0.000 1.000 222 E CA 2.214 58.621 56.400 0.011 0.000 0.804 222 E CB -0.420 29.257 29.700 -0.038 0.000 0.740 222 E HN 0.804 nan 8.360 nan 0.000 0.454 223 H N -1.951 117.125 119.070 0.010 0.000 2.355 223 H HA 0.022 4.578 4.556 -0.000 0.000 0.303 223 H C 1.411 176.699 175.328 -0.067 0.000 1.061 223 H CA 1.810 57.843 56.048 -0.025 0.000 1.368 223 H CB -0.404 29.331 29.762 -0.045 0.000 1.412 223 H HN 0.200 nan 8.280 nan 0.000 0.523 224 W N 1.014 122.268 121.300 -0.077 0.000 2.518 224 W HA 0.083 4.743 4.660 -0.000 0.000 0.273 224 W C 1.980 178.442 176.519 -0.095 0.000 1.247 224 W CA 0.959 58.240 57.345 -0.106 0.000 1.288 224 W CB 0.364 29.825 29.460 0.002 0.000 1.107 224 W HN 0.360 nan 8.180 nan 0.000 0.586 225 E N -1.257 119.015 120.200 0.122 0.000 2.340 225 E HA 0.117 4.467 4.350 -0.000 0.000 0.198 225 E C 2.282 178.885 176.600 0.005 0.000 0.961 225 E CA 0.631 57.069 56.400 0.063 0.000 0.905 225 E CB 0.108 29.846 29.700 0.062 0.000 0.884 225 E HN 0.167 nan 8.360 nan 0.000 0.491 226 R N 0.490 120.980 120.500 -0.018 0.000 2.535 226 R HA 0.277 4.617 4.340 -0.000 0.000 0.323 226 R C 1.274 177.539 176.300 -0.057 0.000 0.979 226 R CA 0.585 56.669 56.100 -0.026 0.000 1.120 226 R CB -0.269 30.029 30.300 -0.003 0.000 1.306 226 R HN 0.202 nan 8.270 nan 0.000 0.540 227 G N -0.209 108.507 108.800 -0.140 0.000 2.203 227 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.263 227 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.263 227 G C 0.773 175.645 174.900 -0.046 0.000 1.012 227 G CA 0.553 45.541 45.100 -0.187 0.000 0.749 227 G HN 1.361 nan 8.290 nan 0.000 0.512 228 G N -1.332 107.488 108.800 0.034 0.000 2.580 228 G HA2 0.509 4.469 3.960 -0.000 0.000 0.278 228 G HA3 0.509 4.469 3.960 -0.000 0.000 0.278 228 G C -0.337 174.745 174.900 0.304 0.000 1.212 228 G CA -0.474 44.707 45.100 0.134 0.000 0.939 228 G HN 0.748 nan 8.290 nan 0.000 0.513 229 Y N -0.165 120.230 120.300 0.158 0.000 2.350 229 Y HA 0.344 4.893 4.550 -0.000 0.000 0.340 229 Y C 0.951 176.984 175.900 0.222 0.000 1.006 229 Y CA -0.442 57.781 58.100 0.204 0.000 1.166 229 Y CB 0.662 39.233 38.460 0.186 0.000 1.168 229 Y HN 0.735 nan 8.280 nan 0.000 0.502 230 H N 4.304 123.088 119.070 -0.477 0.000 2.334 230 H HA 0.200 4.756 4.556 -0.000 0.000 0.307 230 H C -0.665 174.193 175.328 -0.784 0.000 1.092 230 H CA 0.635 56.362 56.048 -0.535 0.000 1.567 230 H CB 0.559 30.053 29.762 -0.448 0.000 1.505 230 H HN 0.742 nan 8.280 nan 0.000 0.637 231 H N -1.360 117.311 119.070 -0.665 0.000 2.981 231 H HA 0.311 4.867 4.556 -0.000 0.000 0.327 231 H C -1.226 173.926 175.328 -0.293 0.000 1.342 231 H CA -0.701 55.077 56.048 -0.450 0.000 1.123 231 H CB 0.800 30.402 29.762 -0.267 0.000 1.851 231 H HN 0.017 nan 8.280 nan 0.000 0.531 232 T N 2.440 116.959 114.554 -0.059 0.000 2.902 232 T HA 0.319 4.669 4.350 -0.000 0.000 0.301 232 T C 0.356 174.968 174.700 -0.147 0.000 1.012 232 T CA 0.536 62.313 62.100 -0.539 0.000 1.151 232 T CB -0.009 68.679 68.868 -0.301 0.000 0.946 232 T HN 0.769 nan 8.240 nan 0.000 0.542 233 T N 1.034 115.429 114.554 -0.265 0.000 2.934 233 T HA 0.464 4.814 4.350 -0.000 0.000 0.283 233 T C -2.531 172.078 174.700 -0.151 0.000 1.005 233 T CA -2.186 59.841 62.100 -0.123 0.000 1.041 233 T CB 1.273 69.988 68.868 -0.256 0.000 1.042 233 T HN 0.266 nan 8.240 nan 0.000 0.505 234 P HA 0.212 nan 4.420 nan 0.000 0.237 234 P C 1.308 178.494 177.300 -0.191 0.000 1.788 234 P CA -0.354 62.719 63.100 -0.044 0.000 1.061 234 P CB -0.184 31.578 31.700 0.103 0.000 1.967 235 V N 2.816 122.520 119.914 -0.350 0.000 2.252 235 V HA -0.326 3.794 4.120 -0.000 0.000 0.255 235 V C 2.629 178.340 176.094 -0.638 0.000 1.071 235 V CA 2.035 64.022 62.300 -0.523 0.000 1.050 235 V CB -1.117 30.465 31.823 -0.402 0.000 0.654 235 V HN 0.330 nan 8.190 nan 0.000 0.448 236 L N -0.945 120.028 121.223 -0.418 0.000 2.079 236 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 236 L C 2.415 179.242 176.870 -0.073 0.000 1.081 236 L CA 1.455 56.123 54.840 -0.287 0.000 0.752 236 L CB -0.615 41.418 42.059 -0.043 0.000 0.896 236 L HN 0.340 nan 8.230 nan 0.000 0.433 237 L N -1.246 119.984 121.223 0.012 0.000 2.141 237 L HA -0.200 4.139 4.340 -0.000 0.000 0.209 237 L C 2.607 179.597 176.870 0.199 0.000 1.094 237 L CA 0.870 55.783 54.840 0.123 0.000 0.763 237 L CB -0.781 41.371 42.059 0.155 0.000 0.908 237 L HN 0.294 nan 8.230 nan 0.000 0.437 238 H N -1.011 118.051 119.070 -0.014 0.000 2.321 238 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 238 H C 2.055 177.474 175.328 0.152 0.000 1.087 238 H CA 1.561 57.649 56.048 0.065 0.000 1.319 238 H CB -0.360 29.410 29.762 0.013 0.000 1.379 238 H HN 0.182 nan 8.280 nan 0.000 0.501 239 Y N 0.297 120.720 120.300 0.205 0.000 2.128 239 Y HA -0.170 4.380 4.550 -0.000 0.000 0.284 239 Y C 2.735 178.690 175.900 0.092 0.000 1.154 239 Y CA 0.811 58.984 58.100 0.121 0.000 1.149 239 Y CB -1.224 37.289 38.460 0.088 0.000 0.976 239 Y HN 0.240 nan 8.280 nan 0.000 0.505 240 A N -0.135 122.840 122.820 0.259 0.000 1.877 240 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 240 A C 2.307 179.958 177.584 0.111 0.000 1.186 240 A CA 1.633 53.763 52.037 0.156 0.000 0.620 240 A CB -1.149 17.926 19.000 0.124 0.000 0.822 240 A HN 0.390 nan 8.150 nan 0.000 0.443 241 L N -0.697 120.590 121.223 0.108 0.000 2.046 241 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 241 L C 2.229 179.133 176.870 0.056 0.000 1.077 241 L CA 2.090 56.967 54.840 0.062 0.000 0.747 241 L CB -0.645 41.438 42.059 0.040 0.000 0.896 241 L HN 0.353 nan 8.230 nan 0.000 0.432 242 L N -0.383 120.896 121.223 0.093 0.000 2.046 242 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 242 L C 2.441 179.346 176.870 0.058 0.000 1.077 242 L CA 1.969 56.858 54.840 0.081 0.000 0.747 242 L CB -0.810 41.321 42.059 0.120 0.000 0.896 242 L HN 0.416 nan 8.230 nan 0.000 0.432 243 E N -0.277 119.965 120.200 0.068 0.000 2.077 243 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 243 E C 2.137 178.753 176.600 0.027 0.000 0.989 243 E CA 1.506 57.933 56.400 0.046 0.000 0.800 243 E CB -0.350 29.383 29.700 0.055 0.000 0.746 243 E HN 0.569 nan 8.360 nan 0.000 0.452 244 A N 0.254 123.090 122.820 0.026 0.000 1.902 244 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 244 A C 2.272 179.848 177.584 -0.013 0.000 1.181 244 A CA 1.309 53.350 52.037 0.006 0.000 0.623 244 A CB -0.721 18.282 19.000 0.004 0.000 0.818 244 A HN 0.324 nan 8.150 nan 0.000 0.443 245 L N -0.477 120.737 121.223 -0.015 0.000 2.083 245 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 245 L C 2.007 178.861 176.870 -0.026 0.000 1.083 245 L CA 1.347 56.166 54.840 -0.035 0.000 0.752 245 L CB -0.575 41.464 42.059 -0.032 0.000 0.899 245 L HN 0.326 nan 8.230 nan 0.000 0.433 246 D N 0.018 120.413 120.400 -0.008 0.000 2.117 246 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 246 D C 2.394 178.687 176.300 -0.011 0.000 0.982 246 D CA 1.004 55.000 54.000 -0.006 0.000 0.828 246 D CB -0.081 40.721 40.800 0.004 0.000 0.967 246 D HN 0.251 nan 8.370 nan 0.000 0.464 247 L N 0.472 121.689 121.223 -0.010 0.000 2.079 247 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 247 L C 2.475 179.333 176.870 -0.020 0.000 1.081 247 L CA 0.680 55.513 54.840 -0.011 0.000 0.752 247 L CB -0.145 41.909 42.059 -0.008 0.000 0.896 247 L HN -0.047 nan 8.230 nan 0.000 0.433 248 V N -0.002 119.893 119.914 -0.031 0.000 2.261 248 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 248 V C 2.303 178.374 176.094 -0.039 0.000 1.047 248 V CA 1.703 63.977 62.300 -0.043 0.000 1.015 248 V CB -0.329 31.454 31.823 -0.068 0.000 0.642 248 V HN 0.358 nan 8.190 nan 0.000 0.446 249 L N -0.493 120.709 121.223 -0.036 0.000 2.141 249 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 249 L C 2.510 179.368 176.870 -0.020 0.000 1.094 249 L CA 1.404 56.227 54.840 -0.028 0.000 0.763 249 L CB -0.609 41.436 42.059 -0.024 0.000 0.908 249 L HN 0.409 nan 8.230 nan 0.000 0.437 250 E N -0.006 120.184 120.200 -0.017 0.000 2.077 250 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 250 E C 2.079 178.671 176.600 -0.013 0.000 0.989 250 E CA 1.257 57.650 56.400 -0.012 0.000 0.800 250 E CB 0.053 29.747 29.700 -0.010 0.000 0.746 250 E HN 0.433 nan 8.360 nan 0.000 0.452 251 E N -0.051 120.139 120.200 -0.016 0.000 2.112 251 E HA -0.006 4.344 4.350 -0.000 0.000 0.190 251 E C 0.270 176.860 176.600 -0.017 0.000 0.979 251 E CA 0.653 57.043 56.400 -0.016 0.000 0.814 251 E CB 0.288 29.977 29.700 -0.017 0.000 0.762 251 E HN 0.203 nan 8.360 nan 0.000 0.460 252 G N -0.201 108.587 108.800 -0.021 0.000 3.039 252 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.686 252 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.686 252 G C 0.373 175.258 174.900 -0.024 0.000 1.066 252 G CA -0.238 44.850 45.100 -0.020 0.000 0.774 252 G HN 0.093 nan 8.290 nan 0.000 0.591 253 V N 2.290 122.189 119.914 -0.026 0.000 2.407 253 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 253 V C 3.287 179.369 176.094 -0.020 0.000 1.055 253 V CA 3.355 65.638 62.300 -0.027 0.000 1.049 253 V CB -1.131 30.679 31.823 -0.022 0.000 0.662 253 V HN 1.666 nan 8.190 nan 0.000 0.455 254 A N 0.173 122.985 122.820 -0.014 0.000 1.865 254 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 254 A C 2.440 180.015 177.584 -0.015 0.000 1.191 254 A CA 2.340 54.370 52.037 -0.012 0.000 0.623 254 A CB -0.879 18.115 19.000 -0.010 0.000 0.826 254 A HN 0.585 nan 8.150 nan 0.000 0.444 255 A N -0.517 122.294 122.820 -0.015 0.000 1.930 255 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 255 A C 2.227 179.801 177.584 -0.017 0.000 1.175 255 A CA 1.479 53.507 52.037 -0.015 0.000 0.627 255 A CB -0.432 18.559 19.000 -0.014 0.000 0.815 255 A HN 0.562 nan 8.150 nan 0.000 0.443 256 R N -0.545 119.943 120.500 -0.021 0.000 2.092 256 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 256 R C 2.280 178.565 176.300 -0.024 0.000 1.119 256 R CA 1.444 57.530 56.100 -0.023 0.000 0.970 256 R CB -0.281 29.999 30.300 -0.032 0.000 0.864 256 R HN 0.817 nan 8.270 nan 0.000 0.440 257 E N 1.182 121.365 120.200 -0.027 0.000 2.077 257 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 257 E C 1.940 178.524 176.600 -0.026 0.000 0.989 257 E CA 1.078 57.458 56.400 -0.033 0.000 0.800 257 E CB 0.108 29.789 29.700 -0.033 0.000 0.746 257 E HN 0.242 nan 8.360 nan 0.000 0.452 258 R N 0.105 120.593 120.500 -0.019 0.000 2.096 258 R HA -0.133 4.206 4.340 -0.000 0.000 0.235 258 R C 2.669 178.966 176.300 -0.005 0.000 1.127 258 R CA 1.529 57.622 56.100 -0.013 0.000 0.968 258 R CB -0.348 29.945 30.300 -0.012 0.000 0.861 258 R HN 0.153 nan 8.270 nan 0.000 0.440 259 R N 0.699 121.196 120.500 -0.005 0.000 2.096 259 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 259 R C 2.123 178.432 176.300 0.015 0.000 1.127 259 R CA 1.503 57.605 56.100 0.003 0.000 0.968 259 R CB -0.169 30.131 30.300 0.001 0.000 0.861 259 R HN 0.208 nan 8.270 nan 0.000 0.440 260 A N 0.905 123.729 122.820 0.007 0.000 1.855 260 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 260 A C 2.164 179.773 177.584 0.041 0.000 1.191 260 A CA 1.270 53.316 52.037 0.015 0.000 0.613 260 A CB -0.420 18.575 19.000 -0.009 0.000 0.829 260 A HN 0.337 nan 8.150 nan 0.000 0.442 261 R N -0.555 119.950 120.500 0.009 0.000 2.096 261 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 261 R C 2.300 178.644 176.300 0.074 0.000 1.127 261 R CA 1.526 57.632 56.100 0.010 0.000 0.968 261 R CB -0.297 29.981 30.300 -0.037 0.000 0.861 261 R HN 0.807 nan 8.270 nan 0.000 0.440 262 E N 0.552 120.785 120.200 0.056 0.000 2.051 262 E HA -0.169 4.180 4.350 -0.000 0.000 0.192 262 E C 1.843 178.517 176.600 0.123 0.000 0.991 262 E CA 1.417 57.859 56.400 0.070 0.000 0.799 262 E CB 0.160 29.878 29.700 0.031 0.000 0.748 262 E HN 0.097 nan 8.360 nan 0.000 0.449 263 V N 0.497 120.476 119.914 0.109 0.000 2.427 263 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 263 V C 2.081 178.217 176.094 0.070 0.000 1.051 263 V CA 1.923 64.306 62.300 0.138 0.000 1.048 263 V CB -0.754 31.099 31.823 0.050 0.000 0.666 263 V HN 0.405 nan 8.190 nan 0.000 0.456 264 Y N 1.379 121.634 120.300 -0.076 0.000 2.114 264 Y HA -0.323 4.227 4.550 -0.000 0.000 0.282 264 Y C 2.432 178.289 175.900 -0.072 0.000 1.165 264 Y CA 2.059 60.088 58.100 -0.119 0.000 1.148 264 Y CB -0.390 38.017 38.460 -0.088 0.000 0.972 264 Y HN 0.177 nan 8.280 nan 0.000 0.504 265 A N -0.309 122.662 122.820 0.252 0.000 1.877 265 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 265 A C 2.011 179.664 177.584 0.115 0.000 1.186 265 A CA 1.663 53.811 52.037 0.185 0.000 0.620 265 A CB -1.708 17.393 19.000 0.168 0.000 0.822 265 A HN 0.829 nan 8.150 nan 0.000 0.443 266 W N 0.900 122.183 121.300 -0.028 0.000 2.333 266 W HA -0.191 4.469 4.660 -0.000 0.000 0.316 266 W C 1.978 178.457 176.519 -0.068 0.000 1.215 266 W CA 2.349 59.673 57.345 -0.035 0.000 1.278 266 W CB -0.777 28.667 29.460 -0.026 0.000 1.154 266 W HN 0.095 nan 8.180 nan 0.000 0.486 267 V N 1.382 121.011 119.914 -0.474 0.000 2.332 267 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 267 V C 2.318 178.108 176.094 -0.507 0.000 1.055 267 V CA 1.933 63.790 62.300 -0.738 0.000 1.038 267 V CB -1.431 29.971 31.823 -0.703 0.000 0.651 267 V HN 0.319 nan 8.190 nan 0.000 0.450 268 L N 0.226 121.207 121.223 -0.402 0.000 2.042 268 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 268 L C 2.487 179.253 176.870 -0.174 0.000 1.076 268 L CA 1.954 56.617 54.840 -0.295 0.000 0.749 268 L CB -0.798 41.118 42.059 -0.239 0.000 0.893 268 L HN 0.273 nan 8.230 nan 0.000 0.432 269 E N -0.203 119.912 120.200 -0.142 0.000 2.072 269 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 269 E C 2.129 178.664 176.600 -0.109 0.000 0.985 269 E CA 1.044 57.400 56.400 -0.074 0.000 0.801 269 E CB -0.240 29.454 29.700 -0.011 0.000 0.750 269 E HN 0.569 nan 8.360 nan 0.000 0.452 270 E N 0.626 120.679 120.200 -0.245 0.000 2.110 270 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 270 E C 2.375 178.895 176.600 -0.134 0.000 0.988 270 E CA 0.553 56.813 56.400 -0.232 0.000 0.804 270 E CB -0.172 29.249 29.700 -0.464 0.000 0.745 270 E HN 0.296 nan 8.360 nan 0.000 0.458 271 L N 0.522 121.641 121.223 -0.173 0.000 2.072 271 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 271 L C 2.467 179.428 176.870 0.151 0.000 1.079 271 L CA 1.033 55.810 54.840 -0.105 0.000 0.752 271 L CB -0.302 41.556 42.059 -0.334 0.000 0.906 271 L HN 0.022 nan 8.230 nan 0.000 0.436 272 K N 0.300 120.740 120.400 0.067 0.000 2.147 272 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 272 K C 2.111 178.761 176.600 0.084 0.000 1.049 272 K CA 1.264 57.608 56.287 0.095 0.000 0.936 272 K CB -0.199 32.330 32.500 0.047 0.000 0.722 272 K HN 0.261 nan 8.250 nan 0.000 0.446 273 A N 1.289 124.143 122.820 0.056 0.000 2.121 273 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 273 A C 1.630 179.255 177.584 0.069 0.000 1.154 273 A CA 1.000 53.066 52.037 0.048 0.000 0.679 273 A CB -0.151 18.865 19.000 0.027 0.000 0.795 273 A HN 0.207 nan 8.150 nan 0.000 0.458 274 R N -1.663 118.914 120.500 0.129 0.000 2.427 274 R HA 0.295 4.635 4.340 -0.000 0.000 0.262 274 R C 1.078 177.444 176.300 0.109 0.000 0.943 274 R CA 0.497 56.690 56.100 0.155 0.000 1.081 274 R CB 0.240 30.698 30.300 0.264 0.000 1.166 274 R HN 0.581 nan 8.270 nan 0.000 0.534 275 G N 0.472 109.322 108.800 0.082 0.000 2.176 275 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.232 275 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.232 275 G C 0.067 174.928 174.900 -0.065 0.000 0.986 275 G CA -0.507 44.579 45.100 -0.024 0.000 0.643 275 G HN 0.196 nan 8.290 nan 0.000 0.522 276 F N 1.060 121.012 119.950 0.003 0.000 2.410 276 F HA 0.648 5.175 4.527 -0.000 0.000 0.334 276 F C 1.020 176.827 175.800 0.012 0.000 1.134 276 F CA 0.741 58.748 58.000 0.012 0.000 1.227 276 F CB 0.757 39.763 39.000 0.010 0.000 1.194 276 F HN 0.426 nan 8.300 nan 0.000 0.571 277 R N 3.016 123.642 120.500 0.210 0.000 2.561 277 R HA 0.577 4.917 4.340 -0.000 0.000 0.297 277 R C -3.136 173.257 176.300 0.154 0.000 0.969 277 R CA -2.199 53.982 56.100 0.136 0.000 0.879 277 R CB 0.516 30.867 30.300 0.086 0.000 1.178 277 R HN 0.453 nan 8.270 nan 0.000 0.445 278 P HA 0.039 nan 4.420 nan 0.000 0.269 278 P C -0.385 177.011 177.300 0.160 0.000 1.215 278 P CA 0.061 63.240 63.100 0.131 0.000 0.780 278 P CB 0.723 32.486 31.700 0.105 0.000 0.898 279 Y N 3.982 124.328 120.300 0.077 0.000 2.230 279 Y HA 0.154 4.704 4.550 -0.000 0.000 0.294 279 Y C -1.298 174.645 175.900 0.072 0.000 1.120 279 Y CA 0.308 58.452 58.100 0.073 0.000 1.129 279 Y CB -1.505 37.000 38.460 0.075 0.000 1.040 279 Y HN 0.253 nan 8.280 nan 0.000 0.519 280 P HA -0.007 nan 4.420 nan 0.000 0.264 280 P C -0.545 176.711 177.300 -0.073 0.000 1.193 280 P CA 0.614 63.703 63.100 -0.018 0.000 0.763 280 P CB 1.301 33.066 31.700 0.108 0.000 0.810 281 K N 1.579 121.911 120.400 -0.114 0.000 2.305 281 K HA 0.286 4.606 4.320 -0.000 0.000 0.199 281 K C 0.847 177.430 176.600 -0.029 0.000 1.047 281 K CA 0.669 56.909 56.287 -0.077 0.000 0.976 281 K CB 0.279 32.725 32.500 -0.089 0.000 0.765 281 K HN 0.625 nan 8.250 nan 0.000 0.474 282 A N -0.389 122.421 122.820 -0.017 0.000 2.601 282 A HA 0.461 4.781 4.320 -0.000 0.000 0.291 282 A C -0.564 177.017 177.584 -0.005 0.000 1.075 282 A CA -0.483 51.550 52.037 -0.007 0.000 0.671 282 A CB 1.223 20.219 19.000 -0.006 0.000 1.277 282 A HN -0.064 nan 8.150 nan 0.000 0.417 283 S N 0.716 116.406 115.700 -0.016 0.000 3.608 283 S HA -0.089 4.381 4.470 -0.000 0.000 0.382 283 S C -1.970 172.609 174.600 -0.034 0.000 0.945 283 S CA 0.530 58.714 58.200 -0.028 0.000 1.256 283 S CB -1.012 62.177 63.200 -0.017 0.000 0.913 283 S HN 0.785 nan 8.310 nan 0.000 0.518 284 P HA 0.214 nan 4.420 nan 0.000 0.271 284 P C -0.101 177.096 177.300 -0.172 0.000 1.216 284 P CA -0.571 62.490 63.100 -0.066 0.000 0.771 284 P CB 0.723 32.386 31.700 -0.063 0.000 0.864 285 L N 7.321 128.488 121.223 -0.093 0.000 2.315 285 L HA 0.230 4.570 4.340 -0.000 0.000 0.283 285 L C -1.397 175.358 176.870 -0.192 0.000 1.089 285 L CA -2.076 52.693 54.840 -0.118 0.000 0.833 285 L CB 0.291 42.331 42.059 -0.033 0.000 1.170 285 L HN 0.249 nan 8.230 nan 0.000 0.442 286 P HA -0.123 nan 4.420 nan 0.000 0.225 286 P C 0.812 178.108 177.300 -0.006 0.000 1.148 286 P CA 1.267 64.177 63.100 -0.316 0.000 0.779 286 P CB -0.041 31.498 31.700 -0.268 0.000 0.780 287 T N -3.620 110.919 114.554 -0.025 0.000 3.100 287 T HA 0.197 4.547 4.350 -0.000 0.000 0.253 287 T C 0.600 175.318 174.700 0.030 0.000 1.118 287 T CA -0.067 62.030 62.100 -0.004 0.000 1.058 287 T CB -0.325 68.508 68.868 -0.058 0.000 0.953 287 T HN -0.133 nan 8.240 nan 0.000 0.515 288 V N 1.991 121.955 119.914 0.084 0.000 2.577 288 V HA 0.462 4.582 4.120 -0.000 0.000 0.294 288 V C -1.120 175.067 176.094 0.154 0.000 1.052 288 V CA -1.195 61.153 62.300 0.080 0.000 0.891 288 V CB 1.773 33.629 31.823 0.055 0.000 1.017 288 V HN 0.317 nan 8.190 nan 0.000 0.436 289 L N 6.905 128.143 121.223 0.025 0.000 2.260 289 L HA 0.660 5.000 4.340 -0.000 0.000 0.289 289 L C -0.399 176.440 176.870 -0.051 0.000 1.057 289 L CA 0.225 54.999 54.840 -0.109 0.000 0.811 289 L CB 1.323 43.093 42.059 -0.481 0.000 1.184 289 L HN 0.459 nan 8.230 nan 0.000 0.429 290 V N 6.447 126.390 119.914 0.048 0.000 2.357 290 V HA 0.632 4.752 4.120 -0.000 0.000 0.284 290 V C -0.275 175.892 176.094 0.121 0.000 1.018 290 V CA -0.489 61.857 62.300 0.076 0.000 0.841 290 V CB 1.587 33.480 31.823 0.117 0.000 0.991 290 V HN 0.642 nan 8.190 nan 0.000 0.437 291 V N 2.738 122.718 119.914 0.109 0.000 2.962 291 V HA 0.699 4.819 4.120 -0.000 0.000 0.313 291 V C -0.425 175.817 176.094 0.245 0.000 1.099 291 V CA -1.169 61.244 62.300 0.188 0.000 0.971 291 V CB 2.152 34.076 31.823 0.168 0.000 1.028 291 V HN 0.757 nan 8.190 nan 0.000 0.430 292 R N 3.133 123.785 120.500 0.253 0.000 2.404 292 R HA 0.517 4.857 4.340 -0.000 0.000 0.291 292 R C -2.499 173.893 176.300 0.153 0.000 1.025 292 R CA -1.749 54.462 56.100 0.184 0.000 0.991 292 R CB 1.749 32.139 30.300 0.150 0.000 1.053 292 R HN 0.636 nan 8.270 nan 0.000 0.479 293 P HA 0.153 nan 4.420 nan 0.000 0.274 293 P C -2.546 174.494 177.300 -0.434 0.000 1.246 293 P CA -1.465 61.445 63.100 -0.316 0.000 0.795 293 P CB -0.104 31.517 31.700 -0.132 0.000 1.006 294 P HA 0.057 nan 4.420 nan 0.000 0.269 294 P C -0.025 177.145 177.300 -0.217 0.000 1.217 294 P CA 0.257 63.108 63.100 -0.414 0.000 0.783 294 P CB 0.136 31.579 31.700 -0.428 0.000 0.898 295 E N 0.622 120.740 120.200 -0.136 0.000 2.529 295 E HA 0.129 4.478 4.350 -0.000 0.000 0.259 295 E C 1.258 177.812 176.600 -0.077 0.000 0.966 295 E CA 1.199 57.549 56.400 -0.083 0.000 0.937 295 E CB -0.309 29.358 29.700 -0.056 0.000 0.923 295 E HN 0.780 nan 8.360 nan 0.000 0.468 296 G N 2.027 110.793 108.800 -0.057 0.000 2.234 296 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 296 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 296 G C 0.239 175.109 174.900 -0.050 0.000 0.987 296 G CA 0.177 45.250 45.100 -0.046 0.000 0.625 296 G HN 0.445 nan 8.290 nan 0.000 0.532 297 V N 1.454 121.323 119.914 -0.075 0.000 2.383 297 V HA 0.479 4.599 4.120 -0.000 0.000 0.275 297 V C 0.256 176.322 176.094 -0.047 0.000 1.036 297 V CA -0.223 62.035 62.300 -0.071 0.000 0.889 297 V CB 1.585 33.333 31.823 -0.125 0.000 0.985 297 V HN 0.404 nan 8.190 nan 0.000 0.459 298 D N 4.023 124.411 120.400 -0.021 0.000 2.312 298 D HA 0.443 5.083 4.640 -0.000 0.000 0.252 298 D C 1.038 177.345 176.300 0.013 0.000 1.150 298 D CA 0.392 54.389 54.000 -0.004 0.000 0.870 298 D CB 1.845 42.645 40.800 -0.000 0.000 1.153 298 D HN 0.581 nan 8.370 nan 0.000 0.457 299 A N 4.072 126.905 122.820 0.022 0.000 1.865 299 A HA -0.228 4.091 4.320 -0.000 0.000 0.217 299 A C 1.778 179.393 177.584 0.052 0.000 1.191 299 A CA 1.649 53.716 52.037 0.050 0.000 0.623 299 A CB -0.487 18.541 19.000 0.046 0.000 0.826 299 A HN 0.736 nan 8.150 nan 0.000 0.444 300 D N -0.796 119.622 120.400 0.031 0.000 2.144 300 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 300 D C 2.175 178.492 176.300 0.028 0.000 0.984 300 D CA 1.003 55.019 54.000 0.026 0.000 0.834 300 D CB -0.366 40.440 40.800 0.010 0.000 0.955 300 D HN 0.432 nan 8.370 nan 0.000 0.465 301 R N 0.010 120.525 120.500 0.025 0.000 2.096 301 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 301 R C 2.223 178.547 176.300 0.040 0.000 1.127 301 R CA 0.454 56.568 56.100 0.025 0.000 0.968 301 R CB -0.329 29.980 30.300 0.015 0.000 0.861 301 R HN 0.134 nan 8.270 nan 0.000 0.440 302 L N 0.693 121.947 121.223 0.052 0.000 2.093 302 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 302 L C 1.996 178.922 176.870 0.095 0.000 1.085 302 L CA 1.475 56.361 54.840 0.076 0.000 0.755 302 L CB -0.294 41.830 42.059 0.108 0.000 0.904 302 L HN -0.117 nan 8.230 nan 0.000 0.435 303 V N -0.007 119.964 119.914 0.093 0.000 2.343 303 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 303 V C 2.751 178.908 176.094 0.105 0.000 1.051 303 V CA 2.044 64.406 62.300 0.103 0.000 1.036 303 V CB -0.656 31.212 31.823 0.075 0.000 0.654 303 V HN 0.461 nan 8.190 nan 0.000 0.451 304 R N -0.125 120.419 120.500 0.074 0.000 2.075 304 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 304 R C 2.440 178.813 176.300 0.121 0.000 1.126 304 R CA 1.370 57.517 56.100 0.078 0.000 0.963 304 R CB -0.546 29.775 30.300 0.035 0.000 0.858 304 R HN 0.533 nan 8.270 nan 0.000 0.435 305 A N 1.259 124.130 122.820 0.085 0.000 1.902 305 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 305 A C 2.169 179.795 177.584 0.069 0.000 1.181 305 A CA 1.066 53.143 52.037 0.067 0.000 0.623 305 A CB -0.492 18.533 19.000 0.041 0.000 0.818 305 A HN 0.171 nan 8.150 nan 0.000 0.443 306 L N -2.193 119.079 121.223 0.082 0.000 2.046 306 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 306 L C 2.577 179.502 176.870 0.090 0.000 1.077 306 L CA 1.875 56.754 54.840 0.064 0.000 0.747 306 L CB -0.602 41.518 42.059 0.102 0.000 0.896 306 L HN 0.600 nan 8.230 nan 0.000 0.432 307 Y N 0.595 120.908 120.300 0.021 0.000 2.165 307 Y HA -0.317 4.233 4.550 -0.000 0.000 0.286 307 Y C 2.451 178.355 175.900 0.008 0.000 1.155 307 Y CA 1.458 59.569 58.100 0.018 0.000 1.164 307 Y CB -0.235 38.238 38.460 0.020 0.000 0.978 307 Y HN 0.136 nan 8.280 nan 0.000 0.513 308 A N -0.113 122.778 122.820 0.118 0.000 2.019 308 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 308 A C 1.806 179.361 177.584 -0.049 0.000 1.164 308 A CA 1.703 53.759 52.037 0.032 0.000 0.644 308 A CB -0.410 18.632 19.000 0.070 0.000 0.805 308 A HN 0.501 nan 8.150 nan 0.000 0.449 309 E N -1.131 119.041 120.200 -0.046 0.000 2.476 309 E HA 0.211 4.561 4.350 -0.000 0.000 0.191 309 E C 1.058 177.602 176.600 -0.093 0.000 1.064 309 E CA 0.615 56.977 56.400 -0.062 0.000 0.866 309 E CB -0.154 29.513 29.700 -0.056 0.000 0.952 309 E HN 0.785 nan 8.360 nan 0.000 0.492 310 G N 0.490 109.200 108.800 -0.151 0.000 2.131 310 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.223 310 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.223 310 G C 0.089 174.913 174.900 -0.126 0.000 0.990 310 G CA 0.231 45.228 45.100 -0.173 0.000 0.671 310 G HN 0.132 nan 8.290 nan 0.000 0.521 311 V N 0.048 119.914 119.914 -0.080 0.000 2.638 311 V HA 0.844 4.964 4.120 -0.000 0.000 0.306 311 V C 0.324 176.468 176.094 0.084 0.000 1.052 311 V CA -0.446 61.859 62.300 0.007 0.000 0.885 311 V CB 1.863 33.725 31.823 0.066 0.000 0.999 311 V HN 1.265 nan 8.190 nan 0.000 0.424 312 A N 4.649 127.528 122.820 0.098 0.000 2.260 312 A HA 0.896 5.215 4.320 -0.000 0.000 0.314 312 A C -0.344 177.310 177.584 0.116 0.000 1.257 312 A CA -0.411 51.727 52.037 0.167 0.000 0.871 312 A CB 1.105 20.209 19.000 0.174 0.000 1.166 312 A HN 1.477 nan 8.150 nan 0.000 0.522 313 V N -0.782 119.210 119.914 0.131 0.000 3.158 313 V HA 0.995 5.115 4.120 -0.000 0.000 0.311 313 V C 0.096 176.241 176.094 0.084 0.000 1.181 313 V CA -0.539 61.816 62.300 0.093 0.000 1.054 313 V CB 1.292 33.189 31.823 0.124 0.000 1.085 313 V HN 1.588 nan 8.190 nan 0.000 0.446 314 A N 0.232 123.090 122.820 0.064 0.000 2.306 314 A HA 0.969 5.289 4.320 -0.000 0.000 0.330 314 A C 0.395 178.010 177.584 0.052 0.000 1.146 314 A CA -0.030 52.041 52.037 0.056 0.000 0.827 314 A CB 0.983 20.017 19.000 0.057 0.000 1.178 314 A HN 1.928 nan 8.150 nan 0.000 0.490 315 G N -0.334 108.489 108.800 0.039 0.000 2.568 315 G HA2 0.529 4.489 3.960 -0.000 0.000 0.293 315 G HA3 0.529 4.489 3.960 -0.000 0.000 0.293 315 G C 0.514 175.419 174.900 0.008 0.000 1.347 315 G CA -0.130 44.987 45.100 0.028 0.000 1.039 315 G HN 1.168 nan 8.290 nan 0.000 0.523 316 G N -1.642 107.148 108.800 -0.016 0.000 2.684 316 G HA2 0.449 4.409 3.960 -0.000 0.000 0.255 316 G HA3 0.449 4.409 3.960 -0.000 0.000 0.255 316 G C -0.736 174.141 174.900 -0.038 0.000 1.219 316 G CA -0.235 44.835 45.100 -0.050 0.000 0.901 316 G HN 0.790 nan 8.290 nan 0.000 0.548 317 I N -1.140 119.396 120.570 -0.057 0.000 2.787 317 I HA 0.509 4.679 4.170 -0.000 0.000 0.294 317 I C 0.761 176.824 176.117 -0.090 0.000 1.365 317 I CA 0.569 61.829 61.300 -0.067 0.000 1.029 317 I CB 1.525 39.485 38.000 -0.066 0.000 1.313 317 I HN 1.306 nan 8.210 nan 0.000 0.431 318 G N 7.465 116.209 108.800 -0.093 0.000 2.596 318 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.304 318 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.304 318 G C -1.603 173.271 174.900 -0.044 0.000 1.189 318 G CA 0.353 45.405 45.100 -0.081 0.000 0.986 318 G HN 0.543 nan 8.290 nan 0.000 0.548 319 P HA -0.022 nan 4.420 nan 0.000 0.222 319 P C 1.461 178.753 177.300 -0.014 0.000 1.147 319 P CA 2.770 65.878 63.100 0.013 0.000 0.790 319 P CB -0.354 31.385 31.700 0.064 0.000 0.780 320 T N -4.735 109.768 114.554 -0.085 0.000 3.145 320 T HA 0.300 4.650 4.350 -0.000 0.000 0.255 320 T C 1.032 175.668 174.700 -0.107 0.000 1.039 320 T CA -0.413 61.582 62.100 -0.175 0.000 0.928 320 T CB -0.919 67.723 68.868 -0.377 0.000 1.029 320 T HN 0.095 nan 8.240 nan 0.000 0.554 321 R N 0.815 121.278 120.500 -0.061 0.000 2.523 321 R HA 0.470 4.810 4.340 -0.000 0.000 0.281 321 R C 1.754 178.038 176.300 -0.028 0.000 0.969 321 R CA 0.507 56.583 56.100 -0.041 0.000 1.093 321 R CB -1.811 28.471 30.300 -0.031 0.000 0.917 321 R HN 1.342 nan 8.270 nan 0.000 0.408 322 G N 1.035 109.823 108.800 -0.020 0.000 2.186 322 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.266 322 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.266 322 G C 0.865 175.764 174.900 -0.002 0.000 0.982 322 G CA 1.127 46.223 45.100 -0.007 0.000 0.670 322 G HN 0.842 nan 8.290 nan 0.000 0.533 323 Q N -1.190 118.601 119.800 -0.015 0.000 2.317 323 Q HA 0.496 4.836 4.340 -0.000 0.000 0.220 323 Q C 1.029 177.031 176.000 0.005 0.000 0.873 323 Q CA 0.807 56.610 55.803 0.000 0.000 0.936 323 Q CB 1.299 30.038 28.738 0.002 0.000 1.105 323 Q HN 1.081 nan 8.270 nan 0.000 0.520 324 V N -3.679 116.225 119.914 -0.017 0.000 3.112 324 V HA 0.573 4.693 4.120 -0.000 0.000 0.310 324 V C -1.522 174.601 176.094 0.047 0.000 1.364 324 V CA -1.232 61.077 62.300 0.016 0.000 1.058 324 V CB 1.732 33.512 31.823 -0.070 0.000 1.079 324 V HN -0.032 nan 8.190 nan 0.000 0.463 325 L N 1.030 122.304 121.223 0.085 0.000 2.365 325 L HA 0.710 5.050 4.340 -0.000 0.000 0.273 325 L C -0.362 176.534 176.870 0.044 0.000 1.000 325 L CA -0.700 54.195 54.840 0.092 0.000 0.819 325 L CB 2.211 44.365 42.059 0.159 0.000 1.284 325 L HN 0.693 nan 8.230 nan 0.000 0.418 326 R N 4.153 124.671 120.500 0.031 0.000 2.409 326 R HA 0.592 4.932 4.340 -0.000 0.000 0.313 326 R C -1.313 174.987 176.300 0.000 0.000 0.953 326 R CA -0.663 55.446 56.100 0.015 0.000 0.849 326 R CB 1.715 32.034 30.300 0.031 0.000 1.171 326 R HN 0.476 nan 8.270 nan 0.000 0.458 327 L N 1.880 123.078 121.223 -0.041 0.000 2.282 327 L HA 0.480 4.820 4.340 -0.000 0.000 0.288 327 L C 0.955 177.824 176.870 -0.002 0.000 1.033 327 L CA -0.916 53.889 54.840 -0.058 0.000 0.807 327 L CB 1.717 43.672 42.059 -0.174 0.000 1.209 327 L HN 0.660 nan 8.230 nan 0.000 0.423 328 G N 3.578 112.407 108.800 0.048 0.000 2.361 328 G HA2 0.441 4.401 3.960 -0.000 0.000 0.260 328 G HA3 0.441 4.401 3.960 -0.000 0.000 0.260 328 G C 0.104 175.063 174.900 0.098 0.000 1.261 328 G CA -0.300 44.834 45.100 0.058 0.000 0.897 328 G HN 0.645 nan 8.290 nan 0.000 0.499 329 L N 3.251 124.497 121.223 0.039 0.000 3.288 329 L HA 0.292 4.632 4.340 -0.000 0.000 0.293 329 L C 0.466 177.348 176.870 0.019 0.000 1.294 329 L CA -0.178 54.677 54.840 0.025 0.000 1.006 329 L CB -0.108 41.944 42.059 -0.011 0.000 1.407 329 L HN 0.616 nan 8.230 nan 0.000 0.592 330 M N -1.547 118.062 119.600 0.015 0.000 2.456 330 M HA 0.789 5.269 4.480 -0.000 0.000 0.324 330 M C 0.796 177.093 176.300 -0.005 0.000 1.124 330 M CA -0.258 55.035 55.300 -0.013 0.000 0.959 330 M CB 1.785 34.361 32.600 -0.039 0.000 1.692 330 M HN 0.088 nan 8.290 nan 0.000 0.444 331 G N 2.073 110.862 108.800 -0.017 0.000 2.574 331 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.286 331 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.286 331 G C 0.408 175.314 174.900 0.010 0.000 1.212 331 G CA 0.416 45.509 45.100 -0.012 0.000 0.979 331 G HN 0.821 nan 8.290 nan 0.000 0.557 332 E N 1.776 121.985 120.200 0.014 0.000 2.515 332 E HA -0.000 4.350 4.350 -0.000 0.000 0.201 332 E C 2.471 179.101 176.600 0.050 0.000 1.071 332 E CA 1.289 57.705 56.400 0.027 0.000 0.880 332 E CB -0.753 28.958 29.700 0.019 0.000 0.828 332 E HN 0.708 nan 8.360 nan 0.000 0.540 333 G N 1.125 109.962 108.800 0.061 0.000 2.421 333 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 333 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 333 G C 1.026 176.049 174.900 0.206 0.000 1.143 333 G CA 0.472 45.641 45.100 0.114 0.000 0.784 333 G HN 0.293 nan 8.290 nan 0.000 0.541 334 A N 1.125 124.019 122.820 0.123 0.000 3.037 334 A HA 0.571 4.891 4.320 -0.000 0.000 0.272 334 A C 0.255 177.909 177.584 0.116 0.000 1.723 334 A CA -0.219 51.882 52.037 0.107 0.000 1.413 334 A CB -0.185 18.843 19.000 0.046 0.000 1.112 334 A HN 0.159 nan 8.150 nan 0.000 0.606 335 R N -0.319 120.297 120.500 0.194 0.000 2.673 335 R HA 0.546 4.886 4.340 -0.000 0.000 0.281 335 R C 1.229 177.659 176.300 0.218 0.000 0.991 335 R CA -0.027 56.161 56.100 0.148 0.000 0.896 335 R CB 1.127 31.488 30.300 0.102 0.000 1.201 335 R HN 0.477 nan 8.270 nan 0.000 0.457 336 R N 1.792 122.356 120.500 0.107 0.000 2.080 336 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 336 R C 2.134 178.510 176.300 0.127 0.000 1.137 336 R CA 2.688 58.818 56.100 0.051 0.000 0.943 336 R CB -1.637 28.571 30.300 -0.155 0.000 0.846 336 R HN 0.813 nan 8.270 nan 0.000 0.431 337 E N 0.467 120.711 120.200 0.074 0.000 2.085 337 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 337 E C 2.570 179.236 176.600 0.109 0.000 0.994 337 E CA 2.117 58.562 56.400 0.074 0.000 0.801 337 E CB -0.997 28.725 29.700 0.037 0.000 0.743 337 E HN 0.968 nan 8.360 nan 0.000 0.453 338 A N -0.608 122.276 122.820 0.107 0.000 1.883 338 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 338 A C 2.281 179.859 177.584 -0.011 0.000 1.186 338 A CA 1.704 53.759 52.037 0.030 0.000 0.624 338 A CB -0.668 18.334 19.000 0.005 0.000 0.822 338 A HN 0.597 nan 8.150 nan 0.000 0.444 339 Y N 0.158 120.589 120.300 0.217 0.000 2.516 339 Y HA -0.083 4.467 4.550 -0.000 0.000 0.291 339 Y C 2.649 178.777 175.900 0.379 0.000 1.131 339 Y CA 1.310 59.578 58.100 0.280 0.000 1.281 339 Y CB -0.099 38.507 38.460 0.245 0.000 1.013 339 Y HN 0.439 nan 8.280 nan 0.000 0.554 340 Q N -0.680 119.410 119.800 0.483 0.000 2.123 340 Q HA -0.136 4.204 4.340 -0.000 0.000 0.199 340 Q C 2.523 178.645 176.000 0.204 0.000 0.966 340 Q CA 1.129 57.175 55.803 0.404 0.000 0.845 340 Q CB -0.197 28.710 28.738 0.282 0.000 0.907 340 Q HN 0.510 nan 8.270 nan 0.000 0.439 341 A N 0.717 123.621 122.820 0.139 0.000 1.898 341 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 341 A C 1.850 179.457 177.584 0.039 0.000 1.181 341 A CA 0.984 53.057 52.037 0.060 0.000 0.620 341 A CB -0.761 18.256 19.000 0.028 0.000 0.819 341 A HN 0.445 nan 8.150 nan 0.000 0.442 342 F N 0.933 120.822 119.950 -0.103 0.000 2.065 342 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 342 F C 1.891 177.648 175.800 -0.072 0.000 1.112 342 F CA 2.017 59.929 58.000 -0.145 0.000 1.212 342 F CB -0.472 38.347 39.000 -0.301 0.000 0.975 342 F HN 0.146 nan 8.300 nan 0.000 0.476 343 L N 0.466 121.639 121.223 -0.084 0.000 2.079 343 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 343 L C 2.884 179.646 176.870 -0.180 0.000 1.081 343 L CA 1.952 56.676 54.840 -0.194 0.000 0.752 343 L CB -1.415 40.642 42.059 -0.004 0.000 0.896 343 L HN 0.308 nan 8.230 nan 0.000 0.433 344 K N 0.224 120.570 120.400 -0.089 0.000 2.025 344 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 344 K C 2.217 178.749 176.600 -0.114 0.000 1.049 344 K CA 1.437 57.684 56.287 -0.067 0.000 0.933 344 K CB -1.214 31.273 32.500 -0.021 0.000 0.714 344 K HN 0.419 nan 8.250 nan 0.000 0.438 345 A N 0.559 123.284 122.820 -0.158 0.000 1.930 345 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 345 A C 2.393 179.841 177.584 -0.226 0.000 1.175 345 A CA 1.651 53.588 52.037 -0.166 0.000 0.627 345 A CB -0.415 18.491 19.000 -0.157 0.000 0.815 345 A HN 0.539 nan 8.150 nan 0.000 0.443 346 L N 0.199 121.179 121.223 -0.405 0.000 2.017 346 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 346 L C 1.605 178.371 176.870 -0.172 0.000 1.073 346 L CA 2.523 57.126 54.840 -0.395 0.000 0.745 346 L CB -0.661 40.987 42.059 -0.686 0.000 0.894 346 L HN 0.335 nan 8.230 nan 0.000 0.432 347 D N -0.638 119.677 120.400 -0.142 0.000 2.178 347 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 347 D C 2.322 178.593 176.300 -0.049 0.000 0.980 347 D CA 1.001 54.962 54.000 -0.065 0.000 0.842 347 D CB -0.062 40.709 40.800 -0.048 0.000 0.948 347 D HN 0.396 nan 8.370 nan 0.000 0.472 348 R N 0.536 120.999 120.500 -0.062 0.000 2.075 348 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 348 R C 2.288 178.567 176.300 -0.034 0.000 1.126 348 R CA 1.175 57.250 56.100 -0.043 0.000 0.963 348 R CB -0.185 30.087 30.300 -0.047 0.000 0.858 348 R HN 0.085 nan 8.270 nan 0.000 0.435 349 A N 1.192 123.986 122.820 -0.043 0.000 1.873 349 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 349 A C 2.150 179.729 177.584 -0.009 0.000 1.186 349 A CA 1.091 53.115 52.037 -0.022 0.000 0.616 349 A CB -0.548 18.438 19.000 -0.022 0.000 0.823 349 A HN 0.180 nan 8.150 nan 0.000 0.442 350 L N -0.720 120.498 121.223 -0.008 0.000 2.191 350 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 350 L C 2.974 179.840 176.870 -0.008 0.000 1.103 350 L CA 0.808 55.648 54.840 -0.000 0.000 0.769 350 L CB -0.512 41.557 42.059 0.016 0.000 0.908 350 L HN 0.457 nan 8.230 nan 0.000 0.438 351 A N -0.017 122.797 122.820 -0.011 0.000 1.969 351 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 351 A C 1.410 178.989 177.584 -0.008 0.000 1.169 351 A CA 0.740 52.771 52.037 -0.010 0.000 0.635 351 A CB -0.353 18.640 19.000 -0.011 0.000 0.810 351 A HN 0.253 nan 8.150 nan 0.000 0.445 352 L N 0.000 121.219 121.223 -0.007 0.000 2.949 352 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 352 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 352 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 352 L HN 0.000 nan 8.230 nan 0.000 0.502