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 1frv_1_B DATA FIRST_RESID 7 DATA SEQUENCE NKIVVDPITR IEGHLRIEVE VEGGKIKNAW SMSTLFRGLE MILKGRDPRD DATA SEQUENCE AQHFTQRACG VCTYVHALAS VRAVDNCVGV KIPENATLMR NLTMGAQYMH DATA SEQUENCE DHLVHFYHLH ALDWVNVANA LNADPAKAAR LANDLSPRKT TTESLKAVQA DATA SEQUENCE KVKALVESGQ LGIFTNAYFL GGHPAYVLPA EVDLIATAHY LEALRVQVKA DATA SEQUENCE ARAMAIFGAK NPHTQFTVVG GCTNYDSLRP ERIAEFRKLY KEVREFIEQV DATA SEQUENCE YITDLLAVAG FYKNWAGIGK TSNFLTCGEF PTDEYDLNSR YTPQGVIWGN DATA SEQUENCE DLSKVDDFNP DLIEEHVKYS WYEGADAHHP YKGVTKPKWT EFHGEDRYSW DATA SEQUENCE MKAPRYKGEA FEVGPLASVL VAYAKKHEPT VKAVDLVLKT LGVGPEALFS DATA SEQUENCE TLGRTAARGI QCLTAAQEVE VWLDKLEANV KAGKDDLYTD WQYPTESQGV DATA SEQUENCE GFVNAPRGML SHWIVQRGGK IENFQHVVPS TWNLGPRCAE RKLSAVEQAL DATA SEQUENCE IGTPIADPKR PVEILRTVHS YDPCIACGVH 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.511 175.510 0.001 0.000 1.280 7 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 7 N CB 0.000 38.491 38.487 0.006 0.000 1.341 8 K N 0.767 121.153 120.400 -0.024 0.000 2.234 8 K HA 0.496 4.816 4.320 -0.000 0.000 0.282 8 K C -0.335 176.257 176.600 -0.014 0.000 1.039 8 K CA -0.420 55.852 56.287 -0.025 0.000 0.928 8 K CB 1.344 33.779 32.500 -0.107 0.000 1.039 8 K HN 0.116 nan 8.250 nan 0.000 0.470 9 I N 3.120 123.698 120.570 0.014 0.000 2.428 9 I HA 0.286 4.456 4.170 -0.000 0.000 0.296 9 I C -0.148 175.985 176.117 0.026 0.000 0.985 9 I CA -1.321 59.994 61.300 0.025 0.000 1.260 9 I CB 1.681 39.706 38.000 0.042 0.000 1.389 9 I HN 0.583 nan 8.210 nan 0.000 0.484 10 V N 3.857 123.791 119.914 0.033 0.000 2.789 10 V HA 0.712 4.832 4.120 -0.000 0.000 0.311 10 V C -0.769 175.368 176.094 0.070 0.000 1.073 10 V CA -0.685 61.638 62.300 0.039 0.000 0.921 10 V CB 1.973 33.804 31.823 0.014 0.000 1.009 10 V HN 0.573 nan 8.190 nan 0.000 0.426 11 V N 3.041 123.005 119.914 0.084 0.000 2.558 11 V HA 0.594 4.713 4.120 -0.000 0.000 0.261 11 V C -1.389 174.770 176.094 0.109 0.000 0.958 11 V CA 0.026 62.390 62.300 0.107 0.000 0.852 11 V CB 0.714 32.611 31.823 0.124 0.000 1.067 11 V HN 1.149 nan 8.190 nan 0.000 0.468 12 D N 6.859 127.328 120.400 0.114 0.000 2.425 12 D HA 0.688 5.328 4.640 -0.000 0.000 0.240 12 D C -1.951 174.425 176.300 0.127 0.000 1.080 12 D CA -1.035 53.046 54.000 0.135 0.000 0.836 12 D CB 2.414 43.308 40.800 0.156 0.000 1.125 12 D HN 0.566 nan 8.370 nan 0.000 0.525 13 P HA 0.368 nan 4.420 nan 0.000 0.281 13 P C 0.229 177.599 177.300 0.116 0.000 1.281 13 P CA -0.619 62.568 63.100 0.145 0.000 0.811 13 P CB 1.161 32.959 31.700 0.163 0.000 1.154 14 I N -0.204 120.437 120.570 0.117 0.000 3.812 14 I HA -0.004 4.166 4.170 -0.000 0.000 0.319 14 I C 1.739 177.930 176.117 0.124 0.000 1.353 14 I CA 0.354 61.705 61.300 0.085 0.000 1.170 14 I CB -1.988 36.048 38.000 0.059 0.000 1.057 14 I HN 0.627 nan 8.210 nan 0.000 0.411 15 T N 1.875 116.497 114.554 0.112 0.000 12.544 15 T HA -0.386 3.964 4.350 -0.000 0.000 0.384 15 T C 1.221 176.000 174.700 0.132 0.000 1.479 15 T CA 1.803 63.963 62.100 0.100 0.000 2.168 15 T CB -0.522 68.378 68.868 0.054 0.000 2.571 15 T HN 0.497 nan 8.240 nan 0.000 0.480 16 R N 2.389 122.976 120.500 0.144 0.000 3.416 16 R HA 0.368 4.708 4.340 -0.000 0.000 0.188 16 R C 0.597 176.935 176.300 0.063 0.000 1.727 16 R CA 0.742 56.858 56.100 0.025 0.000 1.165 16 R CB -1.383 28.805 30.300 -0.187 0.000 1.277 16 R HN 0.609 nan 8.270 nan 0.000 0.679 17 I N -4.160 116.483 120.570 0.123 0.000 3.486 17 I HA 0.473 4.643 4.170 -0.000 0.000 0.316 17 I C -1.172 175.003 176.117 0.095 0.000 1.230 17 I CA -1.211 60.181 61.300 0.154 0.000 0.948 17 I CB 1.993 40.117 38.000 0.207 0.000 1.340 17 I HN -0.130 nan 8.210 nan 0.000 0.474 18 E N 1.142 121.400 120.200 0.098 0.000 2.191 18 E HA 0.636 4.986 4.350 -0.000 0.000 0.263 18 E C -0.337 176.275 176.600 0.019 0.000 0.881 18 E CA 0.252 56.686 56.400 0.056 0.000 0.757 18 E CB 1.482 31.235 29.700 0.088 0.000 1.147 18 E HN 1.184 nan 8.360 nan 0.000 0.414 19 G N 3.699 112.437 108.800 -0.103 0.000 2.566 19 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.599 19 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.599 19 G C -1.302 173.418 174.900 -0.299 0.000 1.292 19 G CA -0.712 44.261 45.100 -0.213 0.000 0.922 19 G HN 0.694 nan 8.290 nan 0.000 0.514 20 H N -0.389 118.769 119.070 0.147 0.000 2.623 20 H HA 0.657 5.213 4.556 -0.000 0.000 0.299 20 H C 0.192 175.635 175.328 0.191 0.000 1.052 20 H CA -0.636 55.510 56.048 0.162 0.000 1.231 20 H CB 1.392 31.254 29.762 0.167 0.000 1.389 20 H HN 0.461 nan 8.280 nan 0.000 0.469 21 L N 3.742 125.112 121.223 0.245 0.000 2.341 21 L HA 0.510 4.850 4.340 -0.000 0.000 0.278 21 L C -0.469 176.518 176.870 0.194 0.000 1.005 21 L CA -0.900 54.065 54.840 0.209 0.000 0.818 21 L CB 1.554 43.705 42.059 0.154 0.000 1.259 21 L HN 0.640 nan 8.230 nan 0.000 0.418 22 R N 6.533 127.148 120.500 0.192 0.000 2.393 22 R HA 0.648 4.988 4.340 -0.000 0.000 0.315 22 R C -1.286 175.086 176.300 0.121 0.000 0.952 22 R CA -0.600 55.591 56.100 0.151 0.000 0.842 22 R CB 1.198 31.579 30.300 0.134 0.000 1.163 22 R HN 0.659 nan 8.270 nan 0.000 0.450 23 I N 0.685 121.319 120.570 0.107 0.000 2.418 23 I HA 0.492 4.661 4.170 -0.000 0.000 0.287 23 I C -0.871 175.306 176.117 0.100 0.000 1.008 23 I CA -0.917 60.454 61.300 0.118 0.000 1.104 23 I CB 2.138 40.205 38.000 0.111 0.000 1.264 23 I HN 0.629 nan 8.210 nan 0.000 0.438 24 E N 6.194 126.465 120.200 0.118 0.000 2.151 24 E HA 0.542 4.892 4.350 -0.000 0.000 0.275 24 E C -0.725 176.014 176.600 0.231 0.000 0.936 24 E CA -0.808 55.631 56.400 0.065 0.000 0.777 24 E CB 3.042 32.653 29.700 -0.149 0.000 1.108 24 E HN 0.645 nan 8.360 nan 0.000 0.401 25 V N 0.041 120.055 119.914 0.167 0.000 2.769 25 V HA 0.565 4.685 4.120 -0.000 0.000 0.312 25 V C -0.484 175.714 176.094 0.173 0.000 1.061 25 V CA -0.929 61.505 62.300 0.223 0.000 0.931 25 V CB 1.943 33.852 31.823 0.144 0.000 1.010 25 V HN 0.770 nan 8.190 nan 0.000 0.433 26 E N 2.573 122.906 120.200 0.221 0.000 2.183 26 E HA 0.725 5.075 4.350 -0.000 0.000 0.271 26 E C -1.495 175.157 176.600 0.087 0.000 0.919 26 E CA -0.757 55.728 56.400 0.142 0.000 0.781 26 E CB 2.225 32.041 29.700 0.194 0.000 1.140 26 E HN 0.754 nan 8.360 nan 0.000 0.402 27 V N 3.110 123.056 119.914 0.054 0.000 2.815 27 V HA 0.458 4.577 4.120 -0.000 0.000 0.314 27 V C -0.349 175.759 176.094 0.025 0.000 1.064 27 V CA -0.813 61.510 62.300 0.038 0.000 0.952 27 V CB 1.848 33.691 31.823 0.034 0.000 1.020 27 V HN 0.801 nan 8.190 nan 0.000 0.439 28 E N 2.155 122.367 120.200 0.019 0.000 2.908 28 E HA 0.400 4.750 4.350 -0.000 0.000 0.291 28 E C 0.264 176.869 176.600 0.008 0.000 1.154 28 E CA -0.093 56.313 56.400 0.011 0.000 0.784 28 E CB 1.301 31.005 29.700 0.008 0.000 1.500 28 E HN 1.192 nan 8.360 nan 0.000 0.382 29 G N 1.232 110.037 108.800 0.008 0.000 2.374 29 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.289 29 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.289 29 G C 0.878 175.782 174.900 0.006 0.000 1.004 29 G CA 0.677 45.781 45.100 0.006 0.000 1.292 29 G HN 0.994 nan 8.290 nan 0.000 0.502 30 G N -0.703 108.104 108.800 0.011 0.000 2.225 30 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.254 30 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.254 30 G C 0.443 175.353 174.900 0.018 0.000 0.988 30 G CA 1.143 46.252 45.100 0.015 0.000 0.625 30 G HN 1.039 nan 8.290 nan 0.000 0.527 31 K N 0.383 120.792 120.400 0.015 0.000 2.203 31 K HA 0.605 4.925 4.320 -0.000 0.000 0.251 31 K C 0.402 177.018 176.600 0.026 0.000 0.944 31 K CA -1.037 55.259 56.287 0.015 0.000 0.829 31 K CB 1.708 34.210 32.500 0.004 0.000 1.125 31 K HN 0.076 nan 8.250 nan 0.000 0.430 32 I N 2.531 123.121 120.570 0.034 0.000 2.634 32 I HA 0.006 4.176 4.170 -0.000 0.000 0.284 32 I C 1.237 177.367 176.117 0.021 0.000 1.124 32 I CA 0.623 61.949 61.300 0.042 0.000 1.417 32 I CB 0.722 38.756 38.000 0.056 0.000 1.396 32 I HN 0.700 nan 8.210 nan 0.000 0.571 33 K N 4.652 125.065 120.400 0.021 0.000 2.477 33 K HA 0.193 4.513 4.320 -0.000 0.000 0.208 33 K C 0.544 177.113 176.600 -0.052 0.000 1.117 33 K CA 0.232 56.515 56.287 -0.006 0.000 1.039 33 K CB 0.653 33.158 32.500 0.009 0.000 0.937 33 K HN 0.755 nan 8.250 nan 0.000 0.570 34 N N -0.087 118.570 118.700 -0.072 0.000 1.872 34 N HA 0.065 4.805 4.740 -0.000 0.000 0.223 34 N C -0.845 174.305 175.510 -0.600 0.000 1.424 34 N CA 0.276 53.133 53.050 -0.323 0.000 0.710 34 N CB 1.072 39.407 38.487 -0.253 0.000 1.074 34 N HN 0.158 nan 8.380 nan 0.000 0.544 35 A N 1.242 123.949 122.820 -0.190 0.000 2.474 35 A HA -0.199 4.121 4.320 -0.000 0.000 0.258 35 A C -0.650 176.755 177.584 -0.298 0.000 1.360 35 A CA 0.814 52.814 52.037 -0.062 0.000 1.371 35 A CB -0.209 18.761 19.000 -0.049 0.000 0.945 35 A HN 0.444 nan 8.150 nan 0.000 0.423 36 W N 0.668 121.907 121.300 -0.102 0.000 2.957 36 W HA 0.467 5.127 4.660 -0.000 0.000 0.336 36 W C -0.095 176.439 176.519 0.025 0.000 1.087 36 W CA -0.566 56.675 57.345 -0.173 0.000 1.235 36 W CB 2.374 31.580 29.460 -0.423 0.000 1.399 36 W HN 0.808 nan 8.180 nan 0.000 0.480 37 S N 3.732 119.684 115.700 0.420 0.000 2.461 37 S HA 0.543 5.013 4.470 -0.000 0.000 0.322 37 S C -0.396 174.407 174.600 0.338 0.000 1.063 37 S CA -0.445 57.928 58.200 0.288 0.000 1.120 37 S CB -0.024 63.276 63.200 0.166 0.000 0.968 37 S HN 0.417 nan 8.310 nan 0.000 0.467 38 M N 4.006 123.754 119.600 0.248 0.000 2.060 38 M HA 0.285 4.765 4.480 -0.000 0.000 0.342 38 M C -0.217 176.215 176.300 0.219 0.000 1.031 38 M CA -0.296 55.108 55.300 0.174 0.000 0.981 38 M CB 1.307 33.940 32.600 0.056 0.000 1.376 38 M HN 0.366 nan 8.290 nan 0.000 0.397 39 S N 1.244 117.069 115.700 0.208 0.000 2.481 39 S HA 0.116 4.585 4.470 -0.000 0.000 0.276 39 S C 0.981 175.929 174.600 0.580 0.000 1.247 39 S CA -0.218 58.181 58.200 0.331 0.000 1.053 39 S CB 0.924 64.289 63.200 0.274 0.000 0.925 39 S HN 0.630 nan 8.310 nan 0.000 0.491 40 T N 3.019 117.927 114.554 0.590 0.000 3.069 40 T HA 0.299 4.649 4.350 -0.000 0.000 0.252 40 T C -0.172 174.904 174.700 0.626 0.000 1.053 40 T CA -0.064 62.465 62.100 0.716 0.000 0.964 40 T CB -0.376 68.829 68.868 0.562 0.000 1.005 40 T HN 0.504 nan 8.240 nan 0.000 0.532 41 L N 0.357 121.879 121.223 0.498 0.000 2.393 41 L HA 0.857 5.196 4.340 -0.000 0.000 0.260 41 L C -1.885 174.963 176.870 -0.038 0.000 1.002 41 L CA -1.083 53.868 54.840 0.186 0.000 0.818 41 L CB 2.116 44.309 42.059 0.222 0.000 1.369 41 L HN 0.031 nan 8.230 nan 0.000 0.412 42 F N 2.960 122.584 119.950 -0.543 0.000 2.591 42 F HA 0.667 5.194 4.527 -0.000 0.000 0.309 42 F C -0.051 175.514 175.800 -0.392 0.000 1.098 42 F CA -0.395 57.217 58.000 -0.647 0.000 0.937 42 F CB 2.040 40.174 39.000 -1.443 0.000 1.250 42 F HN 0.636 nan 8.300 nan 0.000 0.447 43 R N 2.480 122.363 120.500 -1.028 0.000 2.191 43 R HA 0.454 4.794 4.340 -0.000 0.000 0.187 43 R C 0.094 175.695 176.300 -1.164 0.000 1.078 43 R CA 0.078 55.718 56.100 -0.767 0.000 1.139 43 R CB 0.178 30.249 30.300 -0.382 0.000 1.120 43 R HN 1.017 nan 8.270 nan 0.000 0.536 44 G N 1.826 109.832 108.800 -1.324 0.000 2.734 44 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.277 44 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.277 44 G C 0.014 174.755 174.900 -0.265 0.000 1.099 44 G CA -0.466 44.163 45.100 -0.786 0.000 1.218 44 G HN 0.029 nan 8.290 nan 0.000 0.554 45 L N 0.664 121.791 121.223 -0.160 0.000 2.131 45 L HA 0.142 4.482 4.340 -0.000 0.000 0.206 45 L C 2.627 179.466 176.870 -0.052 0.000 1.087 45 L CA 2.409 57.201 54.840 -0.081 0.000 0.767 45 L CB -0.568 41.484 42.059 -0.012 0.000 0.917 45 L HN 0.680 nan 8.230 nan 0.000 0.441 46 E N -0.950 119.282 120.200 0.053 0.000 2.219 46 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 46 E C 2.110 178.725 176.600 0.026 0.000 0.998 46 E CA 1.350 57.807 56.400 0.095 0.000 0.818 46 E CB -0.262 29.537 29.700 0.164 0.000 0.741 46 E HN 0.504 nan 8.360 nan 0.000 0.477 47 M N -0.038 119.573 119.600 0.018 0.000 2.134 47 M HA -0.073 4.406 4.480 -0.000 0.000 0.262 47 M C 2.321 178.578 176.300 -0.070 0.000 1.076 47 M CA 1.077 56.386 55.300 0.015 0.000 1.143 47 M CB -0.265 32.381 32.600 0.076 0.000 1.346 47 M HN 0.051 nan 8.290 nan 0.000 0.421 48 I N 0.660 121.152 120.570 -0.131 0.000 2.194 48 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 48 I C 2.209 178.092 176.117 -0.389 0.000 1.093 48 I CA 1.254 62.413 61.300 -0.235 0.000 1.355 48 I CB -0.360 37.479 38.000 -0.267 0.000 1.046 48 I HN 0.196 nan 8.210 nan 0.000 0.413 49 L N 0.161 121.137 121.223 -0.412 0.000 2.191 49 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 49 L C 1.256 177.986 176.870 -0.234 0.000 1.103 49 L CA 1.269 55.843 54.840 -0.443 0.000 0.769 49 L CB -0.880 40.937 42.059 -0.404 0.000 0.908 49 L HN 0.056 nan 8.230 nan 0.000 0.438 50 K N 0.462 120.783 120.400 -0.131 0.000 2.473 50 K HA 0.074 4.393 4.320 -0.000 0.000 0.277 50 K C 1.081 177.642 176.600 -0.064 0.000 1.052 50 K CA 0.961 57.212 56.287 -0.060 0.000 1.114 50 K CB -0.386 32.097 32.500 -0.029 0.000 0.869 50 K HN 0.430 nan 8.250 nan 0.000 0.481 51 G N 3.358 112.135 108.800 -0.038 0.000 2.143 51 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.249 51 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.249 51 G C 0.071 174.954 174.900 -0.027 0.000 0.981 51 G CA 0.301 45.383 45.100 -0.029 0.000 0.665 51 G HN 0.612 nan 8.290 nan 0.000 0.528 52 R N 0.033 120.511 120.500 -0.037 0.000 2.607 52 R HA 0.535 4.875 4.340 -0.000 0.000 0.261 52 R C -0.114 176.205 176.300 0.032 0.000 1.051 52 R CA -0.337 55.761 56.100 -0.002 0.000 1.110 52 R CB 0.558 30.843 30.300 -0.026 0.000 1.158 52 R HN 0.268 nan 8.270 nan 0.000 0.543 53 D N 1.067 121.516 120.400 0.081 0.000 2.348 53 D HA 0.077 4.717 4.640 -0.000 0.000 0.253 53 D C -1.762 174.647 176.300 0.182 0.000 1.161 53 D CA -1.947 52.127 54.000 0.124 0.000 0.876 53 D CB 1.130 42.030 40.800 0.167 0.000 1.160 53 D HN 0.119 nan 8.370 nan 0.000 0.459 54 P HA -0.109 nan 4.420 nan 0.000 0.229 54 P C 0.847 178.306 177.300 0.264 0.000 1.150 54 P CA 0.870 64.121 63.100 0.251 0.000 0.765 54 P CB 0.140 32.007 31.700 0.279 0.000 0.783 55 R N -0.801 119.889 120.500 0.317 0.000 2.153 55 R HA -0.053 4.286 4.340 -0.000 0.000 0.218 55 R C 1.518 177.978 176.300 0.267 0.000 1.072 55 R CA 0.992 57.271 56.100 0.298 0.000 0.990 55 R CB -0.384 30.140 30.300 0.374 0.000 0.889 55 R HN 0.195 nan 8.270 nan 0.000 0.452 56 D N 0.684 121.249 120.400 0.275 0.000 2.120 56 D HA -0.025 4.615 4.640 -0.000 0.000 0.202 56 D C 1.876 178.371 176.300 0.326 0.000 0.972 56 D CA 1.259 55.459 54.000 0.334 0.000 0.837 56 D CB -0.373 40.619 40.800 0.319 0.000 0.989 56 D HN 0.114 nan 8.370 nan 0.000 0.469 57 A N 1.640 124.580 122.820 0.200 0.000 1.916 57 A HA -0.403 3.917 4.320 -0.000 0.000 0.224 57 A C 2.111 179.680 177.584 -0.024 0.000 1.366 57 A CA 3.514 55.540 52.037 -0.019 0.000 0.692 57 A CB -1.464 17.393 19.000 -0.239 0.000 0.841 57 A HN 0.495 nan 8.150 nan 0.000 0.480 58 Q N -1.690 118.098 119.800 -0.020 0.000 2.344 58 Q HA -0.275 4.065 4.340 -0.000 0.000 0.212 58 Q C 1.707 177.608 176.000 -0.165 0.000 0.991 58 Q CA 2.167 57.913 55.803 -0.095 0.000 0.897 58 Q CB -0.600 28.044 28.738 -0.156 0.000 0.915 58 Q HN 0.856 nan 8.270 nan 0.000 0.438 59 H N -0.991 118.086 119.070 0.012 0.000 2.370 59 H HA 0.040 4.596 4.556 -0.000 0.000 0.304 59 H C 1.559 176.802 175.328 -0.141 0.000 1.055 59 H CA 1.105 57.103 56.048 -0.084 0.000 1.373 59 H CB -0.254 29.405 29.762 -0.171 0.000 1.423 59 H HN 0.274 nan 8.280 nan 0.000 0.533 60 F N 1.728 121.678 119.950 -0.001 0.000 1.997 60 F HA -0.277 4.250 4.527 -0.000 0.000 0.296 60 F C 3.111 178.849 175.800 -0.103 0.000 1.160 60 F CA 2.110 60.062 58.000 -0.079 0.000 1.176 60 F CB -1.041 37.878 39.000 -0.135 0.000 0.964 60 F HN 0.190 nan 8.300 nan 0.000 0.484 61 T N -1.417 113.174 114.554 0.062 0.000 2.714 61 T HA -0.382 3.967 4.350 -0.000 0.000 0.268 61 T C 1.868 176.601 174.700 0.054 0.000 1.036 61 T CA 1.935 64.024 62.100 -0.018 0.000 1.148 61 T CB -0.903 67.882 68.868 -0.138 0.000 0.856 61 T HN 0.428 nan 8.240 nan 0.000 0.462 62 Q N 0.612 120.463 119.800 0.086 0.000 2.308 62 Q HA -0.097 4.243 4.340 -0.000 0.000 0.209 62 Q C 1.990 178.062 176.000 0.120 0.000 0.985 62 Q CA 1.171 57.064 55.803 0.149 0.000 0.881 62 Q CB -0.061 28.741 28.738 0.108 0.000 0.917 62 Q HN 0.594 nan 8.270 nan 0.000 0.443 63 R N -0.876 119.613 120.500 -0.018 0.000 2.335 63 R HA 0.142 4.482 4.340 -0.000 0.000 0.223 63 R C 1.682 178.019 176.300 0.062 0.000 0.940 63 R CA 0.394 56.469 56.100 -0.041 0.000 1.086 63 R CB 0.116 30.323 30.300 -0.155 0.000 1.073 63 R HN 0.180 nan 8.270 nan 0.000 0.504 64 A N 0.499 123.344 122.820 0.040 0.000 1.883 64 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 64 A C 1.201 178.862 177.584 0.129 0.000 1.186 64 A CA 1.403 53.421 52.037 -0.031 0.000 0.624 64 A CB -0.320 18.404 19.000 -0.460 0.000 0.822 64 A HN 0.560 nan 8.150 nan 0.000 0.444 65 C N -5.959 113.500 119.300 0.264 0.000 3.306 65 C HA 0.708 5.168 4.460 -0.000 0.000 0.335 65 C C 0.990 176.179 174.990 0.331 0.000 1.382 65 C CA 0.161 59.346 59.018 0.279 0.000 1.254 65 C CB 1.049 28.931 27.740 0.237 0.000 1.555 65 C HN 0.769 nan 8.230 nan 0.000 0.463 66 G N -0.095 108.804 108.800 0.166 0.000 2.944 66 G HA2 0.325 4.285 3.960 -0.000 0.000 0.223 66 G HA3 0.325 4.285 3.960 -0.000 0.000 0.223 66 G C 0.928 175.808 174.900 -0.033 0.000 1.071 66 G CA 0.919 45.960 45.100 -0.099 0.000 0.806 66 G HN 1.669 nan 8.290 nan 0.000 0.538 67 V N 0.303 120.262 119.914 0.076 0.000 2.244 67 V HA -0.089 4.031 4.120 -0.000 0.000 0.244 67 V C 2.253 178.426 176.094 0.132 0.000 1.042 67 V CA 1.129 63.495 62.300 0.110 0.000 1.006 67 V CB -1.637 30.265 31.823 0.132 0.000 0.641 67 V HN 0.538 nan 8.190 nan 0.000 0.446 68 C N 1.957 121.346 119.300 0.150 0.000 3.089 68 C HA 0.492 4.952 4.460 -0.000 0.000 0.548 68 C C 1.065 176.154 174.990 0.166 0.000 1.205 68 C CA -0.473 58.638 59.018 0.156 0.000 1.398 68 C CB -2.654 25.169 27.740 0.138 0.000 1.764 68 C HN 0.557 nan 8.230 nan 0.000 0.638 69 T N 0.116 114.748 114.554 0.130 0.000 2.791 69 T HA 0.178 4.528 4.350 -0.000 0.000 0.323 69 T C 0.594 175.459 174.700 0.275 0.000 1.082 69 T CA 1.595 63.775 62.100 0.134 0.000 1.084 69 T CB 0.102 68.954 68.868 -0.027 0.000 0.992 69 T HN 1.374 nan 8.240 nan 0.000 0.547 70 Y N 1.513 121.911 120.300 0.163 0.000 2.742 70 Y HA -0.404 4.146 4.550 -0.000 0.000 0.487 70 Y C 1.786 177.763 175.900 0.129 0.000 1.079 70 Y CA 3.705 61.899 58.100 0.156 0.000 2.996 70 Y CB -2.062 36.467 38.460 0.114 0.000 0.922 70 Y HN 0.515 nan 8.280 nan 0.000 0.563 71 V N 0.553 120.357 119.914 -0.182 0.000 2.418 71 V HA -0.371 3.749 4.120 -0.000 0.000 0.258 71 V C 2.101 177.978 176.094 -0.362 0.000 1.088 71 V CA 2.878 64.976 62.300 -0.337 0.000 1.091 71 V CB -0.868 30.865 31.823 -0.150 0.000 0.669 71 V HN 0.770 nan 8.190 nan 0.000 0.461 72 H N -0.293 118.711 119.070 -0.109 0.000 2.544 72 H HA 0.358 4.914 4.556 -0.000 0.000 0.269 72 H C 2.341 177.609 175.328 -0.100 0.000 0.970 72 H CA 1.146 57.181 56.048 -0.022 0.000 1.219 72 H CB 0.170 30.070 29.762 0.230 0.000 1.421 72 H HN 0.658 nan 8.280 nan 0.000 0.555 73 A N 1.589 124.359 122.820 -0.083 0.000 1.832 73 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 73 A C 2.504 179.938 177.584 -0.250 0.000 1.200 73 A CA 0.600 52.566 52.037 -0.119 0.000 0.610 73 A CB -0.945 18.023 19.000 -0.052 0.000 0.842 73 A HN 0.273 nan 8.150 nan 0.000 0.444 74 L N -0.470 120.454 121.223 -0.499 0.000 1.952 74 L HA -0.337 4.003 4.340 -0.000 0.000 0.231 74 L C 2.916 179.559 176.870 -0.378 0.000 1.088 74 L CA 2.160 56.724 54.840 -0.459 0.000 0.802 74 L CB -0.737 40.936 42.059 -0.643 0.000 0.903 74 L HN 0.465 nan 8.230 nan 0.000 0.439 75 A N -1.552 120.981 122.820 -0.477 0.000 2.104 75 A HA -0.262 4.058 4.320 -0.000 0.000 0.223 75 A C 2.324 179.626 177.584 -0.470 0.000 1.164 75 A CA 2.340 54.030 52.037 -0.577 0.000 0.659 75 A CB -0.587 17.909 19.000 -0.840 0.000 0.808 75 A HN 0.602 nan 8.150 nan 0.000 0.465 76 S N -1.245 114.287 115.700 -0.280 0.000 2.387 76 S HA -0.048 4.422 4.470 -0.000 0.000 0.221 76 S C 2.081 176.666 174.600 -0.026 0.000 1.041 76 S CA 1.100 59.359 58.200 0.099 0.000 0.959 76 S CB -0.544 62.816 63.200 0.267 0.000 0.843 76 S HN 0.778 nan 8.310 nan 0.000 0.488 77 V N 1.650 121.494 119.914 -0.117 0.000 2.220 77 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 77 V C 2.061 178.043 176.094 -0.188 0.000 1.049 77 V CA 1.726 63.942 62.300 -0.139 0.000 1.003 77 V CB -1.163 30.569 31.823 -0.151 0.000 0.634 77 V HN 0.318 nan 8.190 nan 0.000 0.444 78 R N 1.072 121.433 120.500 -0.231 0.000 2.185 78 R HA -0.127 4.213 4.340 -0.000 0.000 0.247 78 R C 2.348 178.465 176.300 -0.306 0.000 1.159 78 R CA 1.580 57.510 56.100 -0.284 0.000 0.988 78 R CB -0.672 29.439 30.300 -0.315 0.000 0.871 78 R HN 0.708 nan 8.270 nan 0.000 0.458 79 A N 0.142 122.803 122.820 -0.266 0.000 2.030 79 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 79 A C 2.194 179.657 177.584 -0.202 0.000 1.164 79 A CA 0.648 52.516 52.037 -0.282 0.000 0.697 79 A CB 0.117 18.925 19.000 -0.319 0.000 0.827 79 A HN 0.125 nan 8.150 nan 0.000 0.457 80 V N -0.346 119.471 119.914 -0.163 0.000 2.379 80 V HA -0.125 3.995 4.120 -0.000 0.000 0.243 80 V C 1.842 177.761 176.094 -0.292 0.000 1.035 80 V CA 1.525 63.723 62.300 -0.170 0.000 1.035 80 V CB -1.105 30.642 31.823 -0.128 0.000 0.673 80 V HN 0.336 nan 8.190 nan 0.000 0.457 81 D N 0.841 121.041 120.400 -0.334 0.000 2.254 81 D HA -0.236 4.403 4.640 -0.000 0.000 0.201 81 D C 1.980 178.152 176.300 -0.214 0.000 0.998 81 D CA 2.025 55.821 54.000 -0.340 0.000 0.885 81 D CB -0.341 40.285 40.800 -0.290 0.000 0.915 81 D HN 0.595 nan 8.370 nan 0.000 0.460 82 N N -0.687 117.887 118.700 -0.210 0.000 2.336 82 N HA -0.086 4.654 4.740 -0.000 0.000 0.177 82 N C 1.753 177.236 175.510 -0.044 0.000 1.018 82 N CA 1.155 54.125 53.050 -0.134 0.000 0.878 82 N CB 0.128 38.482 38.487 -0.221 0.000 0.997 82 N HN 0.296 nan 8.380 nan 0.000 0.433 83 C N -1.628 117.626 119.300 -0.076 0.000 2.539 83 C HA 0.343 4.803 4.460 -0.000 0.000 0.268 83 C C 1.915 176.898 174.990 -0.011 0.000 1.395 83 C CA -0.408 58.599 59.018 -0.019 0.000 1.757 83 C CB -0.961 26.781 27.740 0.003 0.000 1.851 83 C HN 0.146 nan 8.230 nan 0.000 0.545 84 V N 0.929 120.786 119.914 -0.096 0.000 3.263 84 V HA 0.411 4.531 4.120 -0.000 0.000 0.248 84 V C 1.986 178.051 176.094 -0.048 0.000 1.145 84 V CA 1.376 63.598 62.300 -0.129 0.000 1.107 84 V CB -0.768 30.759 31.823 -0.493 0.000 0.797 84 V HN 0.753 nan 8.190 nan 0.000 0.467 85 G N 1.809 110.601 108.800 -0.014 0.000 2.298 85 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.287 85 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.287 85 G C -0.026 174.895 174.900 0.035 0.000 1.075 85 G CA 0.247 45.389 45.100 0.070 0.000 0.960 85 G HN 0.482 nan 8.290 nan 0.000 0.502 86 V N -0.548 119.371 119.914 0.008 0.000 2.834 86 V HA 0.624 4.744 4.120 -0.000 0.000 0.301 86 V C 0.411 176.536 176.094 0.051 0.000 1.066 86 V CA -0.668 61.617 62.300 -0.026 0.000 1.052 86 V CB 1.695 33.424 31.823 -0.157 0.000 1.021 86 V HN 0.271 nan 8.190 nan 0.000 0.480 87 K N 4.358 124.758 120.400 -0.001 0.000 2.521 87 K HA 0.462 4.782 4.320 -0.000 0.000 0.248 87 K C -0.547 176.031 176.600 -0.037 0.000 0.978 87 K CA -0.296 55.998 56.287 0.011 0.000 0.947 87 K CB 1.854 34.340 32.500 -0.023 0.000 1.165 87 K HN 0.819 nan 8.250 nan 0.000 0.445 88 I N -0.300 120.239 120.570 -0.052 0.000 2.575 88 I HA 0.313 4.483 4.170 -0.000 0.000 0.285 88 I C -2.203 173.871 176.117 -0.072 0.000 1.085 88 I CA -2.108 59.134 61.300 -0.098 0.000 1.403 88 I CB 0.422 38.344 38.000 -0.131 0.000 1.409 88 I HN 0.161 nan 8.210 nan 0.000 0.557 89 P HA -0.009 nan 4.420 nan 0.000 0.260 89 P C 0.193 177.455 177.300 -0.062 0.000 1.185 89 P CA 0.200 63.271 63.100 -0.048 0.000 0.763 89 P CB 0.374 32.056 31.700 -0.031 0.000 0.776 90 E N 2.436 122.607 120.200 -0.048 0.000 2.284 90 E HA -0.241 4.108 4.350 -0.000 0.000 0.200 90 E C 1.373 177.926 176.600 -0.079 0.000 1.008 90 E CA 1.028 57.395 56.400 -0.055 0.000 0.829 90 E CB -0.414 29.267 29.700 -0.032 0.000 0.744 90 E HN 0.431 nan 8.360 nan 0.000 0.491 91 N N 0.592 119.248 118.700 -0.074 0.000 2.104 91 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 91 N C 1.685 177.107 175.510 -0.146 0.000 1.024 91 N CA 1.529 54.521 53.050 -0.096 0.000 0.853 91 N CB -0.230 38.215 38.487 -0.070 0.000 1.008 91 N HN 0.216 nan 8.380 nan 0.000 0.424 92 A N -0.133 122.601 122.820 -0.142 0.000 1.902 92 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 92 A C 2.415 179.886 177.584 -0.189 0.000 1.181 92 A CA 1.951 53.880 52.037 -0.180 0.000 0.623 92 A CB -1.134 17.765 19.000 -0.168 0.000 0.818 92 A HN 0.295 nan 8.150 nan 0.000 0.443 93 T N -0.184 114.275 114.554 -0.159 0.000 2.759 93 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 93 T C 1.748 176.313 174.700 -0.224 0.000 1.042 93 T CA 1.617 63.617 62.100 -0.167 0.000 1.140 93 T CB -0.333 68.460 68.868 -0.124 0.000 0.864 93 T HN 0.224 nan 8.240 nan 0.000 0.455 94 L N 0.438 121.527 121.223 -0.223 0.000 2.046 94 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 94 L C 2.415 179.065 176.870 -0.367 0.000 1.077 94 L CA 1.655 56.329 54.840 -0.276 0.000 0.747 94 L CB -0.697 41.240 42.059 -0.203 0.000 0.896 94 L HN 0.323 nan 8.230 nan 0.000 0.432 95 M N -1.141 118.246 119.600 -0.355 0.000 2.059 95 M HA -0.260 4.220 4.480 -0.000 0.000 0.259 95 M C 2.502 178.667 176.300 -0.225 0.000 1.072 95 M CA 1.730 56.778 55.300 -0.421 0.000 1.117 95 M CB -0.144 32.291 32.600 -0.275 0.000 1.320 95 M HN 0.088 nan 8.290 nan 0.000 0.408 96 R N 0.019 120.435 120.500 -0.140 0.000 2.103 96 R HA -0.159 4.180 4.340 -0.000 0.000 0.242 96 R C 1.567 177.838 176.300 -0.047 0.000 1.142 96 R CA 1.765 57.863 56.100 -0.004 0.000 0.960 96 R CB -0.545 29.729 30.300 -0.043 0.000 0.858 96 R HN 0.494 nan 8.270 nan 0.000 0.439 97 N N 0.070 118.633 118.700 -0.228 0.000 2.416 97 N HA -0.069 4.671 4.740 -0.000 0.000 0.177 97 N C 1.425 176.700 175.510 -0.390 0.000 1.036 97 N CA 0.448 53.297 53.050 -0.335 0.000 0.901 97 N CB -0.057 38.048 38.487 -0.638 0.000 0.976 97 N HN 0.044 nan 8.380 nan 0.000 0.444 98 L N 1.021 122.048 121.223 -0.327 0.000 1.988 98 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 98 L C 2.156 179.050 176.870 0.041 0.000 1.071 98 L CA 1.731 56.470 54.840 -0.169 0.000 0.744 98 L CB -1.314 40.464 42.059 -0.468 0.000 0.893 98 L HN 0.081 nan 8.230 nan 0.000 0.433 99 T N -0.928 113.618 114.554 -0.013 0.000 2.684 99 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 99 T C 1.872 176.552 174.700 -0.032 0.000 1.036 99 T CA 1.958 64.031 62.100 -0.045 0.000 1.148 99 T CB -0.216 68.469 68.868 -0.306 0.000 0.863 99 T HN 0.291 nan 8.240 nan 0.000 0.436 100 M N 1.424 121.054 119.600 0.050 0.000 2.106 100 M HA -0.026 4.454 4.480 -0.000 0.000 0.259 100 M C 2.219 178.643 176.300 0.207 0.000 1.068 100 M CA 2.174 57.610 55.300 0.226 0.000 1.100 100 M CB -1.190 31.524 32.600 0.191 0.000 1.351 100 M HN 0.220 nan 8.290 nan 0.000 0.404 101 G N -0.856 108.065 108.800 0.202 0.000 2.469 101 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 101 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 101 G C 1.535 176.593 174.900 0.262 0.000 1.136 101 G CA 1.286 46.502 45.100 0.194 0.000 0.759 101 G HN 0.741 nan 8.290 nan 0.000 0.562 102 A N -0.575 122.402 122.820 0.261 0.000 1.970 102 A HA 0.055 4.375 4.320 -0.000 0.000 0.216 102 A C 2.298 180.027 177.584 0.242 0.000 1.170 102 A CA 1.997 54.177 52.037 0.239 0.000 0.645 102 A CB -0.319 18.801 19.000 0.201 0.000 0.816 102 A HN 0.337 nan 8.150 nan 0.000 0.447 103 Q N -0.860 119.091 119.800 0.252 0.000 2.096 103 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 103 Q C 1.648 177.844 176.000 0.327 0.000 0.982 103 Q CA 1.839 57.813 55.803 0.286 0.000 0.850 103 Q CB -0.606 28.334 28.738 0.338 0.000 0.901 103 Q HN 0.696 nan 8.270 nan 0.000 0.422 104 Y N -0.231 120.125 120.300 0.094 0.000 2.089 104 Y HA -0.181 4.369 4.550 -0.000 0.000 0.282 104 Y C 2.315 178.187 175.900 -0.046 0.000 1.139 104 Y CA 1.541 59.595 58.100 -0.077 0.000 1.123 104 Y CB -0.750 37.734 38.460 0.041 0.000 0.980 104 Y HN 0.125 nan 8.280 nan 0.000 0.493 105 M N -1.247 118.518 119.600 0.275 0.000 2.110 105 M HA -0.323 4.157 4.480 -0.000 0.000 0.257 105 M C 2.180 178.601 176.300 0.202 0.000 1.071 105 M CA 2.432 57.866 55.300 0.224 0.000 1.096 105 M CB -0.929 31.795 32.600 0.207 0.000 1.300 105 M HN 0.315 nan 8.290 nan 0.000 0.411 106 H N 0.279 119.422 119.070 0.122 0.000 2.270 106 H HA -0.178 4.378 4.556 -0.000 0.000 0.299 106 H C 1.897 177.298 175.328 0.123 0.000 1.077 106 H CA 2.315 58.424 56.048 0.101 0.000 1.294 106 H CB -0.253 29.557 29.762 0.081 0.000 1.371 106 H HN 0.289 nan 8.280 nan 0.000 0.491 107 D N -0.396 120.152 120.400 0.247 0.000 2.127 107 D HA -0.219 4.421 4.640 -0.000 0.000 0.190 107 D C 2.141 178.596 176.300 0.258 0.000 1.000 107 D CA 1.970 56.108 54.000 0.229 0.000 0.839 107 D CB -0.486 40.442 40.800 0.213 0.000 0.955 107 D HN 0.648 nan 8.370 nan 0.000 0.446 108 H N -0.221 118.889 119.070 0.067 0.000 2.357 108 H HA -0.053 4.503 4.556 -0.000 0.000 0.301 108 H C 2.310 177.569 175.328 -0.116 0.000 1.082 108 H CA 0.181 56.252 56.048 0.037 0.000 1.342 108 H CB 0.180 30.001 29.762 0.098 0.000 1.389 108 H HN 0.131 nan 8.280 nan 0.000 0.511 109 L N 0.811 122.038 121.223 0.007 0.000 1.971 109 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 109 L C 2.144 178.935 176.870 -0.131 0.000 1.072 109 L CA 1.510 56.263 54.840 -0.144 0.000 0.758 109 L CB -0.394 41.665 42.059 0.000 0.000 0.889 109 L HN 0.155 nan 8.230 nan 0.000 0.433 110 V N -0.818 119.029 119.914 -0.112 0.000 3.305 110 V HA -0.228 3.892 4.120 -0.000 0.000 0.269 110 V C 2.054 178.152 176.094 0.006 0.000 1.157 110 V CA 1.523 63.784 62.300 -0.065 0.000 1.157 110 V CB -0.837 30.931 31.823 -0.091 0.000 0.772 110 V HN 0.592 nan 8.190 nan 0.000 0.498 111 H N -1.426 117.631 119.070 -0.022 0.000 2.516 111 H HA 0.009 4.565 4.556 -0.000 0.000 0.284 111 H C 1.838 177.196 175.328 0.050 0.000 0.999 111 H CA 0.978 57.039 56.048 0.023 0.000 1.303 111 H CB 0.059 29.850 29.762 0.049 0.000 1.452 111 H HN 0.379 nan 8.280 nan 0.000 0.530 112 F N 0.089 119.969 119.950 -0.116 0.000 2.037 112 F HA -0.086 4.441 4.527 -0.000 0.000 0.291 112 F C 1.397 177.076 175.800 -0.201 0.000 1.137 112 F CA 1.240 59.153 58.000 -0.145 0.000 1.178 112 F CB -0.918 37.939 39.000 -0.240 0.000 0.995 112 F HN 0.073 nan 8.300 nan 0.000 0.472 113 Y N 0.953 121.062 120.300 -0.319 0.000 2.009 113 Y HA -0.311 4.239 4.550 -0.000 0.000 0.260 113 Y C 2.788 178.491 175.900 -0.330 0.000 1.118 113 Y CA 2.515 60.349 58.100 -0.444 0.000 1.087 113 Y CB -1.461 36.669 38.460 -0.551 0.000 0.970 113 Y HN 0.227 nan 8.280 nan 0.000 0.481 114 H N -1.624 117.405 119.070 -0.068 0.000 2.543 114 H HA -0.074 4.482 4.556 -0.000 0.000 0.286 114 H C 1.120 176.383 175.328 -0.108 0.000 1.037 114 H CA 0.999 56.959 56.048 -0.147 0.000 1.250 114 H CB -0.003 29.625 29.762 -0.223 0.000 1.373 114 H HN 0.213 nan 8.280 nan 0.000 0.580 115 L N -2.017 119.109 121.223 -0.162 0.000 3.128 115 L HA 0.085 4.425 4.340 -0.000 0.000 0.277 115 L C 1.366 177.894 176.870 -0.570 0.000 1.171 115 L CA 0.383 55.004 54.840 -0.365 0.000 1.008 115 L CB 0.747 42.546 42.059 -0.434 0.000 1.442 115 L HN 0.250 nan 8.230 nan 0.000 0.584 116 H N -1.321 117.432 119.070 -0.529 0.000 2.800 116 H HA 0.399 4.954 4.556 -0.000 0.000 0.257 116 H C 1.843 177.037 175.328 -0.223 0.000 0.967 116 H CA 0.738 56.563 56.048 -0.372 0.000 1.192 116 H CB 0.652 30.279 29.762 -0.224 0.000 1.441 116 H HN 0.120 nan 8.280 nan 0.000 0.461 117 A N 1.583 124.263 122.820 -0.234 0.000 1.848 117 A HA -0.209 4.110 4.320 -0.000 0.000 0.217 117 A C 2.213 179.768 177.584 -0.048 0.000 1.220 117 A CA 2.104 53.989 52.037 -0.254 0.000 0.645 117 A CB -1.128 17.654 19.000 -0.365 0.000 0.842 117 A HN 0.297 nan 8.150 nan 0.000 0.451 118 L N 0.262 121.468 121.223 -0.029 0.000 2.302 118 L HA -0.256 4.084 4.340 -0.000 0.000 0.218 118 L C 1.452 178.335 176.870 0.022 0.000 1.100 118 L CA 2.101 56.949 54.840 0.013 0.000 0.774 118 L CB -0.985 41.164 42.059 0.150 0.000 0.896 118 L HN 0.376 nan 8.230 nan 0.000 0.439 119 D N -2.445 117.827 120.400 -0.213 0.000 2.371 119 D HA -0.123 4.516 4.640 -0.000 0.000 0.221 119 D C 1.569 177.132 176.300 -1.229 0.000 0.986 119 D CA 0.771 54.404 54.000 -0.611 0.000 0.899 119 D CB -0.054 40.255 40.800 -0.820 0.000 0.902 119 D HN 0.478 nan 8.370 nan 0.000 0.530 120 W N -0.342 120.726 121.300 -0.386 0.000 3.875 120 W HA 0.200 4.860 4.660 -0.000 0.000 0.221 120 W C 0.535 176.959 176.519 -0.157 0.000 0.947 120 W CA -0.285 56.725 57.345 -0.558 0.000 2.039 120 W CB -0.515 28.534 29.460 -0.685 0.000 0.954 120 W HN -0.407 nan 8.180 nan 0.000 0.792 121 V N 3.272 123.219 119.914 0.055 0.000 2.843 121 V HA 0.020 4.140 4.120 -0.000 0.000 0.305 121 V C 0.101 175.983 176.094 -0.353 0.000 1.065 121 V CA 0.040 62.286 62.300 -0.090 0.000 1.116 121 V CB 0.534 32.252 31.823 -0.175 0.000 0.968 121 V HN 0.155 nan 8.190 nan 0.000 0.487 122 N N 2.934 121.355 118.700 -0.465 0.000 2.904 122 N HA 0.195 4.935 4.740 -0.000 0.000 0.257 122 N C 0.619 175.730 175.510 -0.663 0.000 1.363 122 N CA -0.241 52.273 53.050 -0.893 0.000 0.856 122 N CB 0.975 39.261 38.487 -0.335 0.000 1.166 122 N HN 0.372 nan 8.380 nan 0.000 0.499 123 V N 2.019 121.404 119.914 -0.881 0.000 2.233 123 V HA -0.409 3.711 4.120 -0.000 0.000 0.256 123 V C 2.530 178.485 176.094 -0.233 0.000 1.069 123 V CA 2.560 64.580 62.300 -0.468 0.000 1.054 123 V CB -1.543 29.926 31.823 -0.589 0.000 0.664 123 V HN 0.603 nan 8.190 nan 0.000 0.453 124 A N 0.298 123.111 122.820 -0.011 0.000 1.893 124 A HA -0.475 3.845 4.320 -0.000 0.000 0.222 124 A C 2.182 179.743 177.584 -0.037 0.000 1.309 124 A CA 3.146 55.198 52.037 0.025 0.000 0.681 124 A CB -1.448 17.642 19.000 0.151 0.000 0.842 124 A HN 0.742 nan 8.150 nan 0.000 0.468 125 N N -0.161 118.514 118.700 -0.042 0.000 2.111 125 N HA -0.277 4.463 4.740 -0.000 0.000 0.197 125 N C 1.898 177.371 175.510 -0.062 0.000 1.011 125 N CA 1.787 54.809 53.050 -0.046 0.000 0.880 125 N CB -0.295 38.163 38.487 -0.049 0.000 1.031 125 N HN 0.522 nan 8.380 nan 0.000 0.444 126 A N 1.697 124.460 122.820 -0.095 0.000 1.927 126 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 126 A C 2.118 179.664 177.584 -0.063 0.000 1.185 126 A CA 1.024 53.007 52.037 -0.090 0.000 0.639 126 A CB -0.848 18.079 19.000 -0.122 0.000 0.820 126 A HN 0.436 nan 8.150 nan 0.000 0.451 127 L N 0.093 121.280 121.223 -0.059 0.000 2.270 127 L HA -0.230 4.110 4.340 -0.000 0.000 0.217 127 L C 1.673 178.526 176.870 -0.028 0.000 1.107 127 L CA 2.006 56.821 54.840 -0.041 0.000 0.772 127 L CB -1.692 40.344 42.059 -0.038 0.000 0.902 127 L HN 0.577 nan 8.230 nan 0.000 0.439 128 N N 0.023 118.706 118.700 -0.028 0.000 2.187 128 N HA 0.054 4.794 4.740 -0.000 0.000 0.191 128 N C 0.736 176.235 175.510 -0.019 0.000 1.057 128 N CA 0.580 53.619 53.050 -0.018 0.000 0.913 128 N CB -0.331 38.147 38.487 -0.015 0.000 1.089 128 N HN 0.274 nan 8.380 nan 0.000 0.472 129 A N 1.497 124.303 122.820 -0.023 0.000 2.031 129 A HA -0.214 4.106 4.320 -0.000 0.000 0.326 129 A C -0.363 177.213 177.584 -0.014 0.000 1.069 129 A CA 0.635 52.659 52.037 -0.023 0.000 1.485 129 A CB -0.573 18.405 19.000 -0.036 0.000 0.679 129 A HN 0.565 nan 8.150 nan 0.000 0.247 130 D N 4.134 124.529 120.400 -0.008 0.000 2.336 130 D HA 0.457 5.096 4.640 -0.000 0.000 0.249 130 D C -1.077 175.224 176.300 0.001 0.000 1.213 130 D CA -1.583 52.416 54.000 -0.002 0.000 0.870 130 D CB 0.839 41.641 40.800 0.003 0.000 1.076 130 D HN 0.179 nan 8.370 nan 0.000 0.483 131 P HA -0.283 nan 4.420 nan 0.000 0.209 131 P C 1.142 178.449 177.300 0.012 0.000 1.167 131 P CA 2.146 65.250 63.100 0.007 0.000 0.941 131 P CB -0.051 31.654 31.700 0.008 0.000 0.787 132 A N -0.613 122.214 122.820 0.012 0.000 2.009 132 A HA -0.315 4.005 4.320 -0.000 0.000 0.222 132 A C 2.275 179.869 177.584 0.016 0.000 1.175 132 A CA 2.324 54.370 52.037 0.015 0.000 0.651 132 A CB -1.303 17.704 19.000 0.013 0.000 0.815 132 A HN 0.192 nan 8.150 nan 0.000 0.459 133 K N -0.895 119.513 120.400 0.013 0.000 1.980 133 K HA 0.045 4.364 4.320 -0.000 0.000 0.208 133 K C 2.366 178.977 176.600 0.018 0.000 1.043 133 K CA 0.973 57.269 56.287 0.015 0.000 0.938 133 K CB -0.369 32.139 32.500 0.012 0.000 0.724 133 K HN 0.340 nan 8.250 nan 0.000 0.438 134 A N 1.385 124.211 122.820 0.011 0.000 1.892 134 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 134 A C 2.339 179.938 177.584 0.025 0.000 1.188 134 A CA 2.352 54.394 52.037 0.009 0.000 0.631 134 A CB -1.003 17.992 19.000 -0.008 0.000 0.822 134 A HN 0.534 nan 8.150 nan 0.000 0.447 135 A N -0.853 121.983 122.820 0.027 0.000 1.948 135 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 135 A C 2.279 179.887 177.584 0.040 0.000 1.177 135 A CA 1.834 53.894 52.037 0.039 0.000 0.636 135 A CB -0.504 18.516 19.000 0.034 0.000 0.815 135 A HN 0.446 nan 8.150 nan 0.000 0.449 136 R N -0.723 119.796 120.500 0.033 0.000 2.189 136 R HA -0.023 4.317 4.340 -0.000 0.000 0.218 136 R C 1.892 178.214 176.300 0.036 0.000 1.074 136 R CA 1.189 57.308 56.100 0.031 0.000 0.991 136 R CB -0.560 29.755 30.300 0.025 0.000 0.883 136 R HN 0.485 nan 8.270 nan 0.000 0.457 137 L N 0.931 122.179 121.223 0.041 0.000 2.056 137 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 137 L C 2.268 179.173 176.870 0.059 0.000 1.078 137 L CA 1.892 56.762 54.840 0.050 0.000 0.749 137 L CB -0.758 41.332 42.059 0.052 0.000 0.901 137 L HN 0.153 nan 8.230 nan 0.000 0.433 138 A N 0.303 123.163 122.820 0.066 0.000 1.859 138 A HA -0.355 3.965 4.320 -0.000 0.000 0.218 138 A C 2.041 179.665 177.584 0.066 0.000 1.242 138 A CA 2.483 54.572 52.037 0.087 0.000 0.661 138 A CB -1.247 17.813 19.000 0.100 0.000 0.842 138 A HN 0.613 nan 8.150 nan 0.000 0.455 139 N N 0.446 119.177 118.700 0.051 0.000 2.192 139 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 139 N C 1.150 176.675 175.510 0.026 0.000 1.013 139 N CA 1.807 54.877 53.050 0.033 0.000 0.863 139 N CB -0.760 37.744 38.487 0.028 0.000 0.990 139 N HN 0.675 nan 8.380 nan 0.000 0.430 140 D N -0.581 119.837 120.400 0.031 0.000 2.219 140 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 140 D C 1.604 177.918 176.300 0.024 0.000 0.970 140 D CA 0.470 54.485 54.000 0.025 0.000 0.851 140 D CB 0.086 40.904 40.800 0.031 0.000 0.943 140 D HN 0.098 nan 8.370 nan 0.000 0.488 141 L N -0.973 120.271 121.223 0.035 0.000 2.470 141 L HA 0.257 4.597 4.340 -0.000 0.000 0.219 141 L C 0.276 177.155 176.870 0.015 0.000 1.071 141 L CA 0.357 55.216 54.840 0.033 0.000 0.850 141 L CB 0.661 42.758 42.059 0.063 0.000 1.040 141 L HN -0.151 nan 8.230 nan 0.000 0.475 142 S N 0.023 115.734 115.700 0.018 0.000 2.614 142 S HA 0.508 4.977 4.470 -0.000 0.000 0.288 142 S C -2.655 171.942 174.600 -0.006 0.000 1.137 142 S CA -1.349 56.849 58.200 -0.004 0.000 0.992 142 S CB 1.524 64.719 63.200 -0.008 0.000 1.026 142 S HN -0.055 nan 8.310 nan 0.000 0.486 143 P HA 0.230 nan 4.420 nan 0.000 0.235 143 P C -0.766 176.525 177.300 -0.016 0.000 1.720 143 P CA -0.009 63.081 63.100 -0.016 0.000 1.003 143 P CB -0.608 31.078 31.700 -0.024 0.000 1.968 144 R N 1.201 121.697 120.500 -0.006 0.000 2.523 144 R HA 0.221 4.561 4.340 -0.000 0.000 0.278 144 R C -0.515 175.794 176.300 0.015 0.000 1.150 144 R CA -0.760 55.340 56.100 -0.001 0.000 0.987 144 R CB 1.880 32.173 30.300 -0.012 0.000 1.232 144 R HN 0.080 nan 8.270 nan 0.000 0.424 145 K N 1.552 121.962 120.400 0.017 0.000 2.338 145 K HA 0.163 4.483 4.320 -0.000 0.000 0.290 145 K C -0.591 176.030 176.600 0.035 0.000 1.069 145 K CA 0.391 56.692 56.287 0.024 0.000 0.941 145 K CB 0.637 33.148 32.500 0.019 0.000 1.023 145 K HN 0.299 nan 8.250 nan 0.000 0.477 146 T N 3.864 118.447 114.554 0.049 0.000 2.910 146 T HA 0.096 4.446 4.350 -0.000 0.000 0.323 146 T C -0.429 174.304 174.700 0.055 0.000 1.091 146 T CA -0.759 61.382 62.100 0.068 0.000 0.960 146 T CB 0.339 69.270 68.868 0.106 0.000 1.024 146 T HN 0.613 nan 8.240 nan 0.000 0.509 147 T N 1.438 116.019 114.554 0.046 0.000 2.853 147 T HA 0.064 4.414 4.350 -0.000 0.000 0.298 147 T C 1.732 176.454 174.700 0.037 0.000 0.978 147 T CA -0.510 61.611 62.100 0.036 0.000 1.152 147 T CB 0.825 69.710 68.868 0.029 0.000 0.914 147 T HN 0.407 nan 8.240 nan 0.000 0.539 148 T N 2.498 117.070 114.554 0.030 0.000 2.755 148 T HA -0.206 4.143 4.350 -0.000 0.000 0.266 148 T C 1.757 176.472 174.700 0.025 0.000 1.041 148 T CA 2.063 64.179 62.100 0.026 0.000 1.147 148 T CB -0.381 68.499 68.868 0.020 0.000 0.847 148 T HN 0.773 nan 8.240 nan 0.000 0.478 149 E N 0.869 121.083 120.200 0.024 0.000 2.077 149 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 149 E C 2.481 179.097 176.600 0.027 0.000 0.989 149 E CA 1.371 57.784 56.400 0.022 0.000 0.800 149 E CB -0.338 29.374 29.700 0.020 0.000 0.746 149 E HN 0.667 nan 8.360 nan 0.000 0.452 150 S N 1.030 116.751 115.700 0.036 0.000 2.380 150 S HA -0.224 4.246 4.470 -0.000 0.000 0.217 150 S C 2.067 176.694 174.600 0.046 0.000 1.036 150 S CA 1.426 59.654 58.200 0.047 0.000 1.050 150 S CB -0.986 62.253 63.200 0.064 0.000 1.016 150 S HN 0.248 nan 8.310 nan 0.000 0.419 151 L N 1.444 122.696 121.223 0.047 0.000 2.081 151 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 151 L C 2.873 179.755 176.870 0.020 0.000 1.080 151 L CA 1.973 56.833 54.840 0.034 0.000 0.754 151 L CB -0.768 41.310 42.059 0.030 0.000 0.893 151 L HN 0.393 nan 8.230 nan 0.000 0.433 152 K N 0.633 121.045 120.400 0.019 0.000 2.209 152 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 152 K C 1.941 178.549 176.600 0.013 0.000 1.048 152 K CA 1.343 57.638 56.287 0.013 0.000 0.940 152 K CB -0.115 32.393 32.500 0.013 0.000 0.729 152 K HN 0.281 nan 8.250 nan 0.000 0.451 153 A N 0.077 122.908 122.820 0.019 0.000 1.835 153 A HA -0.036 4.284 4.320 -0.000 0.000 0.213 153 A C 2.201 179.797 177.584 0.020 0.000 1.210 153 A CA 1.440 53.489 52.037 0.020 0.000 0.605 153 A CB -0.952 18.063 19.000 0.025 0.000 0.860 153 A HN 0.068 nan 8.150 nan 0.000 0.447 154 V N 0.373 120.303 119.914 0.026 0.000 2.277 154 V HA -0.445 3.675 4.120 -0.000 0.000 0.255 154 V C 2.754 178.851 176.094 0.005 0.000 1.074 154 V CA 2.727 65.042 62.300 0.025 0.000 1.058 154 V CB -1.077 30.766 31.823 0.033 0.000 0.656 154 V HN 0.732 nan 8.190 nan 0.000 0.449 155 Q N -0.777 119.022 119.800 -0.002 0.000 2.061 155 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 155 Q C 2.294 178.288 176.000 -0.010 0.000 0.984 155 Q CA 2.135 57.930 55.803 -0.014 0.000 0.846 155 Q CB -0.322 28.408 28.738 -0.013 0.000 0.902 155 Q HN 0.705 nan 8.270 nan 0.000 0.421 156 A N 0.533 123.353 122.820 -0.000 0.000 1.969 156 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 156 A C 1.889 179.477 177.584 0.007 0.000 1.169 156 A CA 1.176 53.215 52.037 0.003 0.000 0.635 156 A CB -0.287 18.717 19.000 0.006 0.000 0.810 156 A HN 0.212 nan 8.150 nan 0.000 0.445 157 K N -0.568 119.839 120.400 0.012 0.000 2.209 157 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 157 K C 1.633 178.244 176.600 0.019 0.000 1.048 157 K CA 1.302 57.602 56.287 0.021 0.000 0.940 157 K CB -0.134 32.385 32.500 0.033 0.000 0.729 157 K HN 0.335 nan 8.250 nan 0.000 0.451 158 V N 0.635 120.547 119.914 -0.002 0.000 2.992 158 V HA -0.082 4.038 4.120 -0.000 0.000 0.250 158 V C 1.942 178.024 176.094 -0.020 0.000 1.090 158 V CA 0.967 63.252 62.300 -0.025 0.000 1.101 158 V CB -0.021 31.756 31.823 -0.076 0.000 0.743 158 V HN 0.204 nan 8.190 nan 0.000 0.468 159 K N 0.606 120.998 120.400 -0.013 0.000 2.063 159 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 159 K C 1.939 178.540 176.600 0.001 0.000 1.048 159 K CA 1.542 57.824 56.287 -0.008 0.000 0.928 159 K CB -0.285 32.212 32.500 -0.005 0.000 0.713 159 K HN 0.454 nan 8.250 nan 0.000 0.442 160 A N 0.466 123.291 122.820 0.008 0.000 2.239 160 A HA -0.054 4.266 4.320 -0.000 0.000 0.209 160 A C 1.647 179.245 177.584 0.024 0.000 1.171 160 A CA 0.668 52.714 52.037 0.015 0.000 0.768 160 A CB -0.186 18.824 19.000 0.017 0.000 0.790 160 A HN 0.223 nan 8.150 nan 0.000 0.478 161 L N -1.469 119.769 121.223 0.025 0.000 2.477 161 L HA 0.136 4.476 4.340 -0.000 0.000 0.220 161 L C 1.898 178.790 176.870 0.037 0.000 1.106 161 L CA 1.006 55.874 54.840 0.046 0.000 0.851 161 L CB 0.370 42.467 42.059 0.064 0.000 0.994 161 L HN 0.135 nan 8.230 nan 0.000 0.462 162 V N -1.128 118.796 119.914 0.018 0.000 2.795 162 V HA -0.017 4.103 4.120 -0.000 0.000 0.243 162 V C 2.033 178.133 176.094 0.011 0.000 1.069 162 V CA 0.818 63.124 62.300 0.011 0.000 1.089 162 V CB -0.202 31.622 31.823 0.001 0.000 0.756 162 V HN 0.352 nan 8.190 nan 0.000 0.471 163 E N 1.272 121.478 120.200 0.011 0.000 2.338 163 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 163 E C 2.186 178.793 176.600 0.012 0.000 1.007 163 E CA 1.480 57.886 56.400 0.010 0.000 0.849 163 E CB -0.098 29.608 29.700 0.009 0.000 0.774 163 E HN 0.747 nan 8.360 nan 0.000 0.506 164 S N -0.875 114.835 115.700 0.016 0.000 2.470 164 S HA 0.192 4.661 4.470 -0.000 0.000 0.222 164 S C 1.804 176.413 174.600 0.015 0.000 1.024 164 S CA 0.487 58.697 58.200 0.017 0.000 0.931 164 S CB 0.543 63.758 63.200 0.024 0.000 0.791 164 S HN 0.352 nan 8.310 nan 0.000 0.513 165 G N 1.413 110.223 108.800 0.016 0.000 2.268 165 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.240 165 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.240 165 G C -0.093 174.816 174.900 0.015 0.000 1.010 165 G CA 0.127 45.234 45.100 0.012 0.000 0.618 165 G HN 0.780 nan 8.290 nan 0.000 0.516 166 Q N 0.194 120.007 119.800 0.022 0.000 2.322 166 Q HA 0.765 5.104 4.340 -0.000 0.000 0.265 166 Q C 0.606 176.636 176.000 0.050 0.000 0.985 166 Q CA -0.941 54.877 55.803 0.025 0.000 0.849 166 Q CB 1.677 30.423 28.738 0.014 0.000 1.274 166 Q HN 0.322 nan 8.270 nan 0.000 0.449 167 L N 1.712 122.971 121.223 0.061 0.000 2.640 167 L HA 0.257 4.597 4.340 -0.000 0.000 0.230 167 L C 1.442 178.355 176.870 0.072 0.000 1.123 167 L CA 0.273 55.198 54.840 0.142 0.000 0.900 167 L CB -0.213 41.938 42.059 0.154 0.000 1.146 167 L HN 1.105 nan 8.230 nan 0.000 0.484 168 G N 2.001 110.796 108.800 -0.009 0.000 2.987 168 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.363 168 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.363 168 G C 1.139 175.933 174.900 -0.176 0.000 1.224 168 G CA 1.156 46.207 45.100 -0.082 0.000 1.042 168 G HN 0.162 nan 8.290 nan 0.000 0.644 169 I N 1.010 121.359 120.570 -0.368 0.000 2.226 169 I HA -0.023 4.147 4.170 -0.000 0.000 0.245 169 I C 2.700 178.485 176.117 -0.554 0.000 1.100 169 I CA 1.524 62.488 61.300 -0.560 0.000 1.374 169 I CB -1.331 36.206 38.000 -0.772 0.000 1.057 169 I HN 0.334 nan 8.210 nan 0.000 0.413 170 F N 0.473 120.401 119.950 -0.036 0.000 2.743 170 F HA 0.062 4.589 4.527 -0.000 0.000 0.297 170 F C 2.311 178.026 175.800 -0.141 0.000 1.131 170 F CA 0.142 58.094 58.000 -0.080 0.000 1.426 170 F CB -1.733 37.242 39.000 -0.042 0.000 1.116 170 F HN -0.070 nan 8.300 nan 0.000 0.583 171 T N 0.541 115.096 114.554 0.002 0.000 2.212 171 T HA -0.380 3.970 4.350 -0.000 0.000 0.200 171 T C 1.195 175.856 174.700 -0.065 0.000 1.643 171 T CA 2.161 64.244 62.100 -0.029 0.000 1.063 171 T CB -0.732 68.110 68.868 -0.044 0.000 0.833 171 T HN 0.354 nan 8.240 nan 0.000 0.418 172 N N 1.830 120.477 118.700 -0.087 0.000 2.994 172 N HA 0.462 5.202 4.740 -0.000 0.000 0.306 172 N C -0.525 174.885 175.510 -0.166 0.000 1.348 172 N CA -0.584 52.410 53.050 -0.094 0.000 1.109 172 N CB 0.162 38.618 38.487 -0.051 0.000 1.415 172 N HN 0.426 nan 8.380 nan 0.000 0.529 173 A N 0.495 123.162 122.820 -0.255 0.000 2.546 173 A HA -0.076 4.243 4.320 -0.000 0.000 0.243 173 A C 0.489 177.851 177.584 -0.370 0.000 1.063 173 A CA 0.144 51.900 52.037 -0.468 0.000 0.757 173 A CB 0.073 18.553 19.000 -0.866 0.000 0.991 173 A HN 0.427 nan 8.150 nan 0.000 0.503 174 Y N 1.922 122.067 120.300 -0.258 0.000 2.639 174 Y HA -0.091 4.459 4.550 -0.000 0.000 0.297 174 Y C 1.244 177.079 175.900 -0.108 0.000 1.151 174 Y CA 1.150 59.215 58.100 -0.058 0.000 1.335 174 Y CB -0.651 37.881 38.460 0.121 0.000 0.994 174 Y HN 0.819 nan 8.280 nan 0.000 0.548 175 F N -2.742 117.106 119.950 -0.171 0.000 2.654 175 F HA 0.382 4.909 4.527 -0.000 0.000 0.303 175 F C -0.193 175.482 175.800 -0.208 0.000 1.099 175 F CA -0.878 56.825 58.000 -0.495 0.000 1.270 175 F CB -0.697 37.530 39.000 -1.288 0.000 1.024 175 F HN -0.313 nan 8.300 nan 0.000 0.548 176 L N 2.622 123.617 121.223 -0.379 0.000 2.325 176 L HA 0.447 4.787 4.340 -0.000 0.000 0.284 176 L C 1.120 177.948 176.870 -0.069 0.000 1.089 176 L CA 0.447 55.145 54.840 -0.236 0.000 0.836 176 L CB 0.560 42.458 42.059 -0.267 0.000 1.184 176 L HN 0.700 nan 8.230 nan 0.000 0.444 177 G N 2.430 111.216 108.800 -0.024 0.000 2.132 177 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.228 177 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.228 177 G C 0.537 175.456 174.900 0.032 0.000 1.000 177 G CA -0.011 45.092 45.100 0.003 0.000 0.693 177 G HN 1.259 nan 8.290 nan 0.000 0.515 178 G N -0.803 108.030 108.800 0.055 0.000 2.880 178 G HA2 0.206 4.166 3.960 -0.000 0.000 0.686 178 G HA3 0.206 4.166 3.960 -0.000 0.000 0.686 178 G C -0.493 174.497 174.900 0.150 0.000 1.505 178 G CA 0.512 45.673 45.100 0.102 0.000 1.057 178 G HN 1.866 nan 8.290 nan 0.000 0.599 179 H N 4.454 123.601 119.070 0.129 0.000 2.679 179 H HA 0.482 5.038 4.556 -0.000 0.000 0.360 179 H C -1.384 174.086 175.328 0.237 0.000 1.105 179 H CA -1.394 54.773 56.048 0.199 0.000 1.196 179 H CB 2.390 32.358 29.762 0.343 0.000 1.636 179 H HN 0.264 nan 8.280 nan 0.000 0.531 180 P HA -0.126 nan 4.420 nan 0.000 0.216 180 P C 1.033 178.553 177.300 0.366 0.000 1.153 180 P CA 1.686 64.908 63.100 0.203 0.000 0.858 180 P CB -0.057 31.683 31.700 0.067 0.000 0.789 181 A N -2.090 121.109 122.820 0.632 0.000 2.209 181 A HA -0.093 4.227 4.320 -0.000 0.000 0.212 181 A C 0.488 178.264 177.584 0.320 0.000 1.158 181 A CA 0.398 52.704 52.037 0.448 0.000 0.742 181 A CB -1.280 17.938 19.000 0.363 0.000 0.790 181 A HN 0.150 nan 8.150 nan 0.000 0.472 182 Y N -0.510 119.978 120.300 0.313 0.000 2.425 182 Y HA 0.383 4.933 4.550 -0.000 0.000 0.347 182 Y C 0.380 176.410 175.900 0.217 0.000 0.976 182 Y CA -0.241 58.025 58.100 0.277 0.000 1.190 182 Y CB 1.296 39.868 38.460 0.187 0.000 1.136 182 Y HN -0.087 nan 8.280 nan 0.000 0.517 183 V N 5.526 125.591 119.914 0.252 0.000 2.843 183 V HA 0.201 4.321 4.120 -0.000 0.000 0.366 183 V C -0.564 175.511 176.094 -0.033 0.000 1.283 183 V CA -0.291 62.032 62.300 0.038 0.000 1.303 183 V CB -0.431 31.337 31.823 -0.091 0.000 1.418 183 V HN 0.396 nan 8.190 nan 0.000 0.598 184 L N 2.350 123.590 121.223 0.029 0.000 2.307 184 L HA 0.654 4.994 4.340 -0.000 0.000 0.284 184 L C -2.392 174.394 176.870 -0.140 0.000 1.023 184 L CA -2.216 52.545 54.840 -0.131 0.000 0.810 184 L CB 1.713 43.739 42.059 -0.055 0.000 1.231 184 L HN 0.080 nan 8.230 nan 0.000 0.423 185 P HA 0.043 nan 4.420 nan 0.000 0.260 185 P C 0.343 177.566 177.300 -0.127 0.000 1.185 185 P CA 0.128 63.147 63.100 -0.135 0.000 0.763 185 P CB 0.690 32.301 31.700 -0.148 0.000 0.776 186 A N 4.964 127.742 122.820 -0.071 0.000 2.023 186 A HA -0.297 4.023 4.320 -0.000 0.000 0.223 186 A C 1.961 179.498 177.584 -0.078 0.000 1.180 186 A CA 1.743 53.740 52.037 -0.067 0.000 0.659 186 A CB -0.750 18.226 19.000 -0.040 0.000 0.817 186 A HN 0.503 nan 8.150 nan 0.000 0.466 187 E N -0.227 119.931 120.200 -0.071 0.000 2.058 187 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 187 E C 2.188 178.736 176.600 -0.087 0.000 0.997 187 E CA 1.421 57.785 56.400 -0.060 0.000 0.801 187 E CB -1.071 28.610 29.700 -0.032 0.000 0.746 187 E HN 0.440 nan 8.360 nan 0.000 0.450 188 V N 2.331 122.160 119.914 -0.141 0.000 2.407 188 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 188 V C 1.728 177.733 176.094 -0.149 0.000 1.055 188 V CA 2.084 64.278 62.300 -0.177 0.000 1.049 188 V CB -0.592 31.006 31.823 -0.374 0.000 0.662 188 V HN 0.106 nan 8.190 nan 0.000 0.455 189 D N -0.039 120.273 120.400 -0.146 0.000 2.117 189 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 189 D C 1.859 178.078 176.300 -0.134 0.000 0.987 189 D CA 0.964 54.878 54.000 -0.142 0.000 0.829 189 D CB -0.357 40.352 40.800 -0.151 0.000 0.961 189 D HN 0.371 nan 8.370 nan 0.000 0.460 190 L N 0.249 121.405 121.223 -0.112 0.000 2.291 190 L HA 0.045 4.384 4.340 -0.000 0.000 0.214 190 L C 1.736 178.541 176.870 -0.108 0.000 1.120 190 L CA 1.030 55.815 54.840 -0.093 0.000 0.799 190 L CB -0.180 41.840 42.059 -0.065 0.000 0.925 190 L HN 0.002 nan 8.230 nan 0.000 0.446 191 I N -1.175 119.313 120.570 -0.138 0.000 2.296 191 I HA -0.128 4.041 4.170 -0.000 0.000 0.242 191 I C 2.525 178.382 176.117 -0.435 0.000 1.087 191 I CA 0.860 62.019 61.300 -0.234 0.000 1.393 191 I CB -0.515 37.416 38.000 -0.114 0.000 1.093 191 I HN 0.276 nan 8.210 nan 0.000 0.421 192 A N 0.658 123.353 122.820 -0.209 0.000 1.852 192 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 192 A C 2.350 179.946 177.584 0.021 0.000 1.215 192 A CA 2.993 54.985 52.037 -0.075 0.000 0.641 192 A CB -1.461 17.507 19.000 -0.055 0.000 0.838 192 A HN 0.379 nan 8.150 nan 0.000 0.450 193 T N 0.328 114.868 114.554 -0.023 0.000 2.680 193 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 193 T C 2.082 176.865 174.700 0.139 0.000 1.033 193 T CA 2.226 64.342 62.100 0.027 0.000 1.152 193 T CB -0.637 68.165 68.868 -0.110 0.000 0.859 193 T HN 0.722 nan 8.240 nan 0.000 0.452 194 A N 0.734 123.575 122.820 0.035 0.000 1.978 194 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 194 A C 1.873 179.647 177.584 0.317 0.000 1.170 194 A CA 1.866 53.975 52.037 0.122 0.000 0.636 194 A CB -0.762 18.282 19.000 0.073 0.000 0.810 194 A HN 0.787 nan 8.150 nan 0.000 0.448 195 H N -3.697 115.535 119.070 0.271 0.000 2.329 195 H HA -0.062 4.494 4.556 -0.000 0.000 0.306 195 H C 2.039 177.463 175.328 0.160 0.000 1.062 195 H CA 1.006 57.202 56.048 0.247 0.000 1.364 195 H CB -0.335 29.653 29.762 0.377 0.000 1.409 195 H HN 0.564 nan 8.280 nan 0.000 0.519 196 Y N 2.187 122.721 120.300 0.391 0.000 2.038 196 Y HA -0.370 4.180 4.550 -0.000 0.000 0.266 196 Y C 2.238 178.347 175.900 0.347 0.000 1.220 196 Y CA 1.800 60.153 58.100 0.422 0.000 1.107 196 Y CB -0.687 37.985 38.460 0.353 0.000 0.932 196 Y HN 0.104 nan 8.280 nan 0.000 0.500 197 L N -0.252 121.245 121.223 0.456 0.000 2.201 197 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 197 L C 2.491 179.412 176.870 0.084 0.000 1.105 197 L CA 1.715 56.717 54.840 0.270 0.000 0.775 197 L CB -0.449 41.769 42.059 0.264 0.000 0.913 197 L HN 0.428 nan 8.230 nan 0.000 0.440 198 E N 0.162 120.391 120.200 0.047 0.000 2.030 198 E HA -0.100 4.250 4.350 -0.000 0.000 0.189 198 E C 2.137 178.552 176.600 -0.308 0.000 0.974 198 E CA 0.747 57.078 56.400 -0.116 0.000 0.807 198 E CB -0.013 29.630 29.700 -0.095 0.000 0.771 198 E HN 0.353 nan 8.360 nan 0.000 0.451 199 A N 0.958 123.567 122.820 -0.351 0.000 2.285 199 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 199 A C 1.918 179.475 177.584 -0.045 0.000 1.188 199 A CA 0.797 52.588 52.037 -0.409 0.000 0.707 199 A CB -0.526 18.211 19.000 -0.437 0.000 0.771 199 A HN 0.329 nan 8.150 nan 0.000 0.488 200 L N -1.875 119.316 121.223 -0.052 0.000 2.375 200 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 200 L C 2.619 179.403 176.870 -0.143 0.000 1.108 200 L CA 0.291 55.039 54.840 -0.154 0.000 0.830 200 L CB -0.197 41.687 42.059 -0.291 0.000 0.959 200 L HN 0.318 nan 8.230 nan 0.000 0.457 201 R N -0.649 119.749 120.500 -0.170 0.000 2.075 201 R HA 0.012 4.351 4.340 -0.000 0.000 0.220 201 R C 2.170 178.358 176.300 -0.186 0.000 1.118 201 R CA 0.825 56.828 56.100 -0.162 0.000 0.986 201 R CB -0.602 29.601 30.300 -0.161 0.000 0.884 201 R HN 0.124 nan 8.270 nan 0.000 0.439 202 V N 2.823 122.550 119.914 -0.310 0.000 2.282 202 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 202 V C 2.592 178.602 176.094 -0.142 0.000 1.057 202 V CA 2.405 64.516 62.300 -0.314 0.000 1.032 202 V CB -0.831 30.615 31.823 -0.628 0.000 0.645 202 V HN 0.403 nan 8.190 nan 0.000 0.447 203 Q N 0.468 120.197 119.800 -0.118 0.000 2.268 203 Q HA -0.203 4.137 4.340 -0.000 0.000 0.210 203 Q C 1.766 177.844 176.000 0.130 0.000 0.988 203 Q CA 2.602 58.391 55.803 -0.025 0.000 0.883 203 Q CB -1.267 27.413 28.738 -0.098 0.000 0.911 203 Q HN 0.424 nan 8.270 nan 0.000 0.430 204 V N 0.747 120.675 119.914 0.023 0.000 2.244 204 V HA -0.269 3.851 4.120 -0.000 0.000 0.244 204 V C 2.241 178.337 176.094 0.004 0.000 1.042 204 V CA 2.260 64.570 62.300 0.017 0.000 1.006 204 V CB -0.664 31.141 31.823 -0.030 0.000 0.641 204 V HN 0.372 nan 8.190 nan 0.000 0.446 205 K N 0.591 120.973 120.400 -0.030 0.000 2.020 205 K HA -0.205 4.115 4.320 -0.000 0.000 0.212 205 K C 2.248 178.830 176.600 -0.029 0.000 1.050 205 K CA 1.758 58.015 56.287 -0.050 0.000 0.929 205 K CB -0.670 31.783 32.500 -0.078 0.000 0.714 205 K HN 0.461 nan 8.250 nan 0.000 0.443 206 A N 0.822 123.663 122.820 0.034 0.000 2.084 206 A HA -0.187 4.133 4.320 -0.000 0.000 0.221 206 A C 2.184 179.809 177.584 0.069 0.000 1.161 206 A CA 2.104 54.200 52.037 0.098 0.000 0.653 206 A CB -0.608 18.538 19.000 0.243 0.000 0.802 206 A HN 0.398 nan 8.150 nan 0.000 0.457 207 A N -1.039 121.792 122.820 0.018 0.000 2.014 207 A HA 0.172 4.492 4.320 -0.000 0.000 0.210 207 A C 2.079 179.593 177.584 -0.117 0.000 1.188 207 A CA 0.934 52.875 52.037 -0.159 0.000 0.731 207 A CB -0.310 18.520 19.000 -0.282 0.000 0.858 207 A HN 0.492 nan 8.150 nan 0.000 0.464 208 R N 0.215 120.665 120.500 -0.082 0.000 2.091 208 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 208 R C 2.163 178.403 176.300 -0.101 0.000 1.136 208 R CA 1.703 57.752 56.100 -0.085 0.000 0.959 208 R CB -0.370 29.887 30.300 -0.071 0.000 0.856 208 R HN 0.402 nan 8.270 nan 0.000 0.437 209 A N 0.808 123.557 122.820 -0.118 0.000 1.933 209 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 209 A C 2.174 179.726 177.584 -0.054 0.000 1.175 209 A CA 1.514 53.462 52.037 -0.149 0.000 0.628 209 A CB -0.517 18.277 19.000 -0.344 0.000 0.814 209 A HN 0.550 nan 8.150 nan 0.000 0.444 210 M N -0.520 119.046 119.600 -0.055 0.000 2.460 210 M HA 0.002 4.481 4.480 -0.000 0.000 0.263 210 M C 1.962 178.171 176.300 -0.151 0.000 1.071 210 M CA 1.171 56.440 55.300 -0.051 0.000 1.096 210 M CB -0.151 32.398 32.600 -0.084 0.000 1.408 210 M HN 0.415 nan 8.290 nan 0.000 0.463 211 A N 0.991 123.723 122.820 -0.146 0.000 1.929 211 A HA -0.084 4.235 4.320 -0.000 0.000 0.216 211 A C 1.833 179.309 177.584 -0.181 0.000 1.176 211 A CA 0.944 52.888 52.037 -0.155 0.000 0.628 211 A CB -0.598 18.334 19.000 -0.113 0.000 0.816 211 A HN 0.505 nan 8.150 nan 0.000 0.444 212 I N -0.665 119.780 120.570 -0.209 0.000 2.074 212 I HA -0.294 3.876 4.170 -0.000 0.000 0.238 212 I C 2.373 178.285 176.117 -0.342 0.000 1.037 212 I CA 1.951 63.063 61.300 -0.314 0.000 1.301 212 I CB -1.775 35.952 38.000 -0.455 0.000 1.016 212 I HN 0.346 nan 8.210 nan 0.000 0.400 213 F N 0.716 120.599 119.950 -0.111 0.000 2.098 213 F HA 0.034 4.561 4.527 -0.000 0.000 0.294 213 F C 2.698 178.227 175.800 -0.452 0.000 1.107 213 F CA 1.103 59.007 58.000 -0.160 0.000 1.234 213 F CB -1.710 37.215 39.000 -0.126 0.000 1.002 213 F HN 0.084 nan 8.300 nan 0.000 0.472 214 G N -0.889 107.500 108.800 -0.685 0.000 2.479 214 G HA2 0.046 4.005 3.960 -0.000 0.000 0.220 214 G HA3 0.046 4.005 3.960 -0.000 0.000 0.220 214 G C 1.436 176.086 174.900 -0.417 0.000 1.115 214 G CA 1.559 46.058 45.100 -1.002 0.000 0.757 214 G HN 0.678 nan 8.290 nan 0.000 0.560 215 A N -1.503 121.210 122.820 -0.179 0.000 2.705 215 A HA -0.112 4.208 4.320 -0.000 0.000 0.225 215 A C 0.734 178.295 177.584 -0.038 0.000 0.668 215 A CA 1.813 53.829 52.037 -0.036 0.000 1.354 215 A CB -1.546 17.488 19.000 0.056 0.000 1.286 215 A HN 1.481 nan 8.150 nan 0.000 0.688 216 K N -0.794 119.571 120.400 -0.058 0.000 2.622 216 K HA 0.572 4.892 4.320 -0.000 0.000 0.273 216 K C -1.337 175.231 176.600 -0.053 0.000 0.957 216 K CA -0.072 56.191 56.287 -0.041 0.000 0.861 216 K CB 0.658 33.159 32.500 0.003 0.000 1.405 216 K HN 0.556 nan 8.250 nan 0.000 0.406 217 N N 2.285 120.943 118.700 -0.069 0.000 2.399 217 N HA 0.469 5.209 4.740 -0.000 0.000 0.284 217 N C -2.362 173.099 175.510 -0.082 0.000 1.025 217 N CA -1.077 51.914 53.050 -0.097 0.000 0.885 217 N CB 1.461 39.852 38.487 -0.160 0.000 1.339 217 N HN 0.571 nan 8.380 nan 0.000 0.487 218 P HA 0.321 nan 4.420 nan 0.000 0.279 218 P C -1.126 176.166 177.300 -0.014 0.000 1.276 218 P CA -0.037 62.991 63.100 -0.119 0.000 0.801 218 P CB 0.438 32.015 31.700 -0.205 0.000 1.127 219 H N -2.625 116.482 119.070 0.062 0.000 3.481 219 H HA -0.097 4.459 4.556 -0.000 0.000 0.291 219 H C -0.285 175.100 175.328 0.095 0.000 0.790 219 H CA 0.372 56.478 56.048 0.096 0.000 0.877 219 H CB -1.870 27.942 29.762 0.082 0.000 1.460 219 H HN 0.351 nan 8.280 nan 0.000 0.317 220 T N 3.916 118.632 114.554 0.270 0.000 2.907 220 T HA 0.266 4.616 4.350 -0.000 0.000 0.298 220 T C 0.961 175.831 174.700 0.283 0.000 1.017 220 T CA -0.025 62.206 62.100 0.218 0.000 1.118 220 T CB 0.743 69.807 68.868 0.327 0.000 0.948 220 T HN 0.455 nan 8.240 nan 0.000 0.531 221 Q N 2.408 122.368 119.800 0.268 0.000 3.255 221 Q HA 0.374 4.714 4.340 -0.000 0.000 0.231 221 Q C -0.854 175.398 176.000 0.420 0.000 0.935 221 Q CA -0.347 55.646 55.803 0.316 0.000 0.714 221 Q CB 0.192 29.058 28.738 0.212 0.000 1.345 221 Q HN 0.742 nan 8.270 nan 0.000 0.463 222 F N -1.545 118.474 119.950 0.115 0.000 3.196 222 F HA 0.237 4.764 4.527 -0.000 0.000 0.379 222 F C -0.458 175.391 175.800 0.082 0.000 1.175 222 F CA 0.026 58.079 58.000 0.087 0.000 0.940 222 F CB -0.366 38.677 39.000 0.072 0.000 1.548 222 F HN 0.051 nan 8.300 nan 0.000 0.508 223 T N 1.463 115.888 114.554 -0.216 0.000 2.925 223 T HA 0.838 5.188 4.350 -0.000 0.000 0.285 223 T C -0.321 174.330 174.700 -0.082 0.000 1.021 223 T CA -0.091 61.799 62.100 -0.349 0.000 1.042 223 T CB 2.270 70.962 68.868 -0.294 0.000 1.037 223 T HN 0.925 nan 8.240 nan 0.000 0.481 224 V N -1.571 118.314 119.914 -0.049 0.000 3.216 224 V HA 0.696 4.816 4.120 -0.000 0.000 0.302 224 V C -0.366 175.766 176.094 0.064 0.000 1.286 224 V CA -1.403 60.947 62.300 0.083 0.000 1.048 224 V CB 1.310 33.259 31.823 0.211 0.000 1.081 224 V HN 0.837 nan 8.190 nan 0.000 0.442 225 V N 2.195 122.178 119.914 0.116 0.000 2.585 225 V HA 0.558 4.678 4.120 -0.000 0.000 0.296 225 V C 1.595 177.728 176.094 0.066 0.000 1.035 225 V CA 1.699 63.954 62.300 -0.075 0.000 1.084 225 V CB 0.033 31.690 31.823 -0.277 0.000 0.953 225 V HN 2.002 nan 8.190 nan 0.000 0.483 226 G N 3.351 112.041 108.800 -0.184 0.000 2.218 226 G HA2 0.052 4.012 3.960 -0.000 0.000 0.216 226 G HA3 0.052 4.012 3.960 -0.000 0.000 0.216 226 G C 0.740 175.462 174.900 -0.297 0.000 0.994 226 G CA -0.204 44.678 45.100 -0.363 0.000 0.637 226 G HN 2.227 nan 8.290 nan 0.000 0.505 227 G N -0.348 108.377 108.800 -0.125 0.000 3.276 227 G HA2 0.202 4.162 3.960 -0.000 0.000 0.540 227 G HA3 0.202 4.162 3.960 -0.000 0.000 0.540 227 G C 1.017 175.845 174.900 -0.121 0.000 0.717 227 G CA 0.854 45.876 45.100 -0.130 0.000 1.000 227 G HN 2.317 nan 8.290 nan 0.000 0.509 228 C N 0.386 119.565 119.300 -0.201 0.000 0.168 228 C HA 0.072 4.532 4.460 -0.000 0.000 0.017 228 C C 1.593 176.505 174.990 -0.131 0.000 0.171 228 C CA 0.960 59.807 59.018 -0.284 0.000 0.499 228 C CB -1.581 25.939 27.740 -0.368 0.000 3.212 228 C HN 2.620 nan 8.230 nan 0.000 1.118 229 T N -2.702 111.769 114.554 -0.137 0.000 2.993 229 T HA 0.129 4.479 4.350 -0.000 0.000 0.260 229 T C 0.180 174.837 174.700 -0.071 0.000 0.939 229 T CA 0.731 62.789 62.100 -0.070 0.000 0.886 229 T CB -0.182 68.721 68.868 0.058 0.000 1.209 229 T HN 0.813 nan 8.240 nan 0.000 0.518 230 N N 1.407 120.102 118.700 -0.007 0.000 2.498 230 N HA 0.194 4.933 4.740 -0.000 0.000 0.277 230 N C 0.056 175.569 175.510 0.005 0.000 1.208 230 N CA -0.241 52.870 53.050 0.101 0.000 1.029 230 N CB -0.318 38.330 38.487 0.268 0.000 1.403 230 N HN 0.382 nan 8.380 nan 0.000 0.500 231 Y N 0.744 121.103 120.300 0.098 0.000 2.286 231 Y HA -0.093 4.457 4.550 -0.000 0.000 0.293 231 Y C 1.986 177.932 175.900 0.076 0.000 1.124 231 Y CA 1.077 59.222 58.100 0.076 0.000 1.178 231 Y CB -0.079 38.411 38.460 0.051 0.000 1.010 231 Y HN 0.522 nan 8.280 nan 0.000 0.536 232 D N -0.360 120.172 120.400 0.220 0.000 2.182 232 D HA -0.188 4.451 4.640 -0.000 0.000 0.201 232 D C 2.024 178.394 176.300 0.116 0.000 0.986 232 D CA 1.534 55.620 54.000 0.143 0.000 0.847 232 D CB -0.258 40.607 40.800 0.109 0.000 0.942 232 D HN 0.218 nan 8.370 nan 0.000 0.467 233 S N -0.846 114.936 115.700 0.137 0.000 2.547 233 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 233 S C 1.730 176.439 174.600 0.182 0.000 0.980 233 S CA 0.062 58.348 58.200 0.143 0.000 0.941 233 S CB -0.264 63.087 63.200 0.252 0.000 0.763 233 S HN 0.201 nan 8.310 nan 0.000 0.532 234 L N 1.184 122.497 121.223 0.150 0.000 2.270 234 L HA 0.320 4.660 4.340 -0.000 0.000 0.210 234 L C 1.203 178.130 176.870 0.095 0.000 1.104 234 L CA 0.759 55.673 54.840 0.124 0.000 0.804 234 L CB -1.290 40.840 42.059 0.118 0.000 0.937 234 L HN 0.322 nan 8.230 nan 0.000 0.450 235 R N 1.105 121.656 120.500 0.085 0.000 2.619 235 R HA -0.080 4.260 4.340 -0.000 0.000 0.268 235 R C -1.192 175.142 176.300 0.057 0.000 0.990 235 R CA -0.482 55.655 56.100 0.061 0.000 1.092 235 R CB -0.229 30.100 30.300 0.050 0.000 0.935 235 R HN 0.067 nan 8.270 nan 0.000 0.415 236 P HA -0.165 nan 4.420 nan 0.000 0.219 236 P C 0.150 177.475 177.300 0.042 0.000 1.150 236 P CA 1.324 64.451 63.100 0.044 0.000 0.814 236 P CB 0.177 31.899 31.700 0.036 0.000 0.787 237 E N -0.299 119.922 120.200 0.035 0.000 2.171 237 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 237 E C 2.162 178.778 176.600 0.026 0.000 0.997 237 E CA 0.915 57.332 56.400 0.028 0.000 0.810 237 E CB -0.193 29.521 29.700 0.023 0.000 0.738 237 E HN 0.181 nan 8.360 nan 0.000 0.467 238 R N -0.234 120.283 120.500 0.028 0.000 2.282 238 R HA 0.199 4.539 4.340 -0.000 0.000 0.195 238 R C 1.956 178.266 176.300 0.018 0.000 0.909 238 R CA 0.129 56.235 56.100 0.011 0.000 1.039 238 R CB 0.349 30.648 30.300 -0.003 0.000 1.015 238 R HN 0.235 nan 8.270 nan 0.000 0.513 239 I N 0.567 121.170 120.570 0.054 0.000 3.251 239 I HA -0.088 4.082 4.170 -0.000 0.000 0.277 239 I C 2.056 178.239 176.117 0.111 0.000 1.268 239 I CA 0.422 61.772 61.300 0.084 0.000 1.449 239 I CB -0.011 38.038 38.000 0.083 0.000 1.083 239 I HN 0.026 nan 8.210 nan 0.000 0.464 240 A N 0.527 123.400 122.820 0.088 0.000 1.843 240 A HA -0.156 4.164 4.320 -0.000 0.000 0.213 240 A C 2.139 179.791 177.584 0.113 0.000 1.239 240 A CA 0.881 52.975 52.037 0.094 0.000 0.606 240 A CB -0.655 18.381 19.000 0.061 0.000 0.903 240 A HN 0.287 nan 8.150 nan 0.000 0.455 241 E N -1.244 118.999 120.200 0.072 0.000 2.236 241 E HA -0.277 4.073 4.350 -0.000 0.000 0.205 241 E C 1.568 178.215 176.600 0.079 0.000 1.028 241 E CA 1.726 58.156 56.400 0.049 0.000 0.827 241 E CB -0.264 29.442 29.700 0.010 0.000 0.735 241 E HN 0.631 nan 8.360 nan 0.000 0.470 242 F N 1.075 120.985 119.950 -0.067 0.000 2.025 242 F HA -0.131 4.396 4.527 -0.000 0.000 0.291 242 F C 2.462 178.300 175.800 0.063 0.000 1.150 242 F CA 1.967 59.927 58.000 -0.066 0.000 1.166 242 F CB -0.732 38.175 39.000 -0.155 0.000 0.995 242 F HN -0.222 nan 8.300 nan 0.000 0.474 243 R N 0.972 121.807 120.500 0.560 0.000 2.189 243 R HA -0.314 4.026 4.340 -0.000 0.000 0.252 243 R C 2.458 178.884 176.300 0.210 0.000 1.134 243 R CA 2.518 58.866 56.100 0.413 0.000 0.954 243 R CB -0.728 29.774 30.300 0.336 0.000 0.890 243 R HN 0.384 nan 8.270 nan 0.000 0.443 244 K N -0.138 120.329 120.400 0.112 0.000 2.152 244 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 244 K C 1.942 178.529 176.600 -0.022 0.000 1.048 244 K CA 1.228 57.540 56.287 0.041 0.000 0.933 244 K CB 0.030 32.546 32.500 0.027 0.000 0.721 244 K HN 0.166 nan 8.250 nan 0.000 0.447 245 L N -0.125 121.057 121.223 -0.069 0.000 2.102 245 L HA -0.107 4.233 4.340 -0.000 0.000 0.202 245 L C 2.242 179.007 176.870 -0.175 0.000 1.076 245 L CA 1.367 56.129 54.840 -0.130 0.000 0.761 245 L CB -1.554 40.402 42.059 -0.172 0.000 0.921 245 L HN 0.198 nan 8.230 nan 0.000 0.444 246 Y N 2.115 122.192 120.300 -0.371 0.000 2.102 246 Y HA -0.410 4.140 4.550 -0.000 0.000 0.280 246 Y C 2.456 178.270 175.900 -0.144 0.000 1.178 246 Y CA 2.644 60.519 58.100 -0.376 0.000 1.146 246 Y CB -0.329 37.826 38.460 -0.508 0.000 0.968 246 Y HN 0.325 nan 8.280 nan 0.000 0.504 247 K N 0.943 121.144 120.400 -0.332 0.000 2.002 247 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 247 K C 1.776 178.224 176.600 -0.254 0.000 1.048 247 K CA 2.121 58.209 56.287 -0.332 0.000 0.930 247 K CB -1.108 31.349 32.500 -0.072 0.000 0.714 247 K HN 0.671 nan 8.250 nan 0.000 0.438 248 E N 1.054 121.161 120.200 -0.155 0.000 2.153 248 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 248 E C 1.939 178.493 176.600 -0.077 0.000 0.988 248 E CA 1.249 57.591 56.400 -0.097 0.000 0.811 248 E CB -0.384 29.272 29.700 -0.072 0.000 0.746 248 E HN 0.146 nan 8.360 nan 0.000 0.466 249 V N 1.322 121.164 119.914 -0.120 0.000 2.548 249 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 249 V C 2.567 178.639 176.094 -0.037 0.000 1.055 249 V CA 1.887 64.156 62.300 -0.051 0.000 1.065 249 V CB -0.542 31.240 31.823 -0.067 0.000 0.681 249 V HN 0.262 nan 8.190 nan 0.000 0.462 250 R N 0.161 120.544 120.500 -0.196 0.000 2.090 250 R HA -0.113 4.227 4.340 -0.000 0.000 0.228 250 R C 2.171 178.403 176.300 -0.115 0.000 1.110 250 R CA 1.458 57.429 56.100 -0.216 0.000 0.973 250 R CB -0.109 29.913 30.300 -0.462 0.000 0.869 250 R HN 0.573 nan 8.270 nan 0.000 0.440 251 E N -0.166 119.981 120.200 -0.089 0.000 2.031 251 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 251 E C 1.679 178.271 176.600 -0.014 0.000 0.994 251 E CA 1.430 57.801 56.400 -0.048 0.000 0.800 251 E CB -0.271 29.411 29.700 -0.029 0.000 0.752 251 E HN 0.255 nan 8.360 nan 0.000 0.447 252 F N 1.868 121.763 119.950 -0.092 0.000 2.063 252 F HA -0.266 4.261 4.527 -0.000 0.000 0.298 252 F C 2.111 177.889 175.800 -0.036 0.000 1.109 252 F CA 1.523 59.474 58.000 -0.083 0.000 1.212 252 F CB -0.307 38.635 39.000 -0.096 0.000 0.973 252 F HN -0.041 nan 8.300 nan 0.000 0.480 253 I N -0.188 120.333 120.570 -0.081 0.000 2.335 253 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 253 I C 2.242 178.274 176.117 -0.143 0.000 1.129 253 I CA 1.746 63.011 61.300 -0.058 0.000 1.402 253 I CB -0.491 37.565 38.000 0.094 0.000 1.069 253 I HN 0.360 nan 8.210 nan 0.000 0.424 254 E N 0.040 120.156 120.200 -0.141 0.000 2.057 254 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 254 E C 2.000 178.502 176.600 -0.163 0.000 0.969 254 E CA 0.610 56.925 56.400 -0.142 0.000 0.812 254 E CB 0.042 29.681 29.700 -0.102 0.000 0.777 254 E HN 0.425 nan 8.360 nan 0.000 0.455 255 Q N -0.158 119.546 119.800 -0.159 0.000 2.451 255 Q HA -0.030 4.310 4.340 -0.000 0.000 0.206 255 Q C 1.315 177.188 176.000 -0.211 0.000 0.947 255 Q CA 0.491 56.206 55.803 -0.146 0.000 0.937 255 Q CB 0.789 29.467 28.738 -0.099 0.000 1.025 255 Q HN 0.091 nan 8.270 nan 0.000 0.511 256 V N -2.269 117.436 119.914 -0.348 0.000 3.177 256 V HA -0.058 4.062 4.120 -0.000 0.000 0.220 256 V C 1.124 177.046 176.094 -0.288 0.000 1.395 256 V CA 0.137 62.170 62.300 -0.445 0.000 1.317 256 V CB -0.680 30.597 31.823 -0.911 0.000 1.148 256 V HN 0.202 nan 8.190 nan 0.000 0.499 257 Y N 1.595 121.596 120.300 -0.497 0.000 2.200 257 Y HA -0.043 4.507 4.550 -0.000 0.000 0.290 257 Y C 2.228 177.936 175.900 -0.319 0.000 1.137 257 Y CA 1.327 59.286 58.100 -0.234 0.000 1.163 257 Y CB -0.289 38.078 38.460 -0.155 0.000 0.988 257 Y HN 0.107 nan 8.280 nan 0.000 0.518 258 I N 0.733 121.008 120.570 -0.491 0.000 2.226 258 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 258 I C 2.554 178.460 176.117 -0.352 0.000 1.100 258 I CA 2.053 63.032 61.300 -0.535 0.000 1.374 258 I CB -1.691 36.080 38.000 -0.382 0.000 1.057 258 I HN 0.463 nan 8.210 nan 0.000 0.413 259 T N -0.789 113.632 114.554 -0.222 0.000 2.643 259 T HA -0.198 4.152 4.350 -0.000 0.000 0.264 259 T C 1.614 176.258 174.700 -0.094 0.000 1.045 259 T CA 1.634 63.659 62.100 -0.125 0.000 1.155 259 T CB -0.565 68.269 68.868 -0.058 0.000 0.863 259 T HN 0.147 nan 8.240 nan 0.000 0.420 260 D N 1.718 122.097 120.400 -0.034 0.000 2.133 260 D HA -0.074 4.566 4.640 -0.000 0.000 0.195 260 D C 2.119 178.352 176.300 -0.111 0.000 0.997 260 D CA 1.293 55.315 54.000 0.037 0.000 0.840 260 D CB -0.754 40.197 40.800 0.251 0.000 0.947 260 D HN 0.462 nan 8.370 nan 0.000 0.452 261 L N 0.204 121.166 121.223 -0.434 0.000 2.043 261 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 261 L C 2.066 178.773 176.870 -0.271 0.000 1.075 261 L CA 1.562 56.074 54.840 -0.548 0.000 0.752 261 L CB -0.441 41.131 42.059 -0.812 0.000 0.891 261 L HN 0.040 nan 8.230 nan 0.000 0.432 262 L N -0.376 120.714 121.223 -0.221 0.000 1.976 262 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 262 L C 2.848 179.696 176.870 -0.038 0.000 1.071 262 L CA 1.352 56.112 54.840 -0.134 0.000 0.746 262 L CB -1.148 40.832 42.059 -0.131 0.000 0.890 262 L HN 0.472 nan 8.230 nan 0.000 0.432 263 A N 0.003 122.839 122.820 0.026 0.000 1.842 263 A HA -0.214 4.105 4.320 -0.000 0.000 0.217 263 A C 2.321 180.080 177.584 0.292 0.000 1.206 263 A CA 2.303 54.440 52.037 0.167 0.000 0.630 263 A CB -1.145 17.961 19.000 0.178 0.000 0.839 263 A HN 0.178 nan 8.150 nan 0.000 0.447 264 V N -0.057 119.971 119.914 0.189 0.000 2.252 264 V HA -0.321 3.798 4.120 -0.000 0.000 0.249 264 V C 3.050 179.253 176.094 0.182 0.000 1.056 264 V CA 2.317 64.739 62.300 0.202 0.000 1.022 264 V CB -1.361 30.474 31.823 0.020 0.000 0.641 264 V HN 0.682 nan 8.190 nan 0.000 0.445 265 A N 0.060 122.860 122.820 -0.033 0.000 2.139 265 A HA -0.130 4.190 4.320 -0.000 0.000 0.221 265 A C 2.263 179.861 177.584 0.023 0.000 1.159 265 A CA 1.949 53.930 52.037 -0.093 0.000 0.662 265 A CB -1.038 17.863 19.000 -0.165 0.000 0.796 265 A HN 0.592 nan 8.150 nan 0.000 0.463 266 G N -0.858 107.979 108.800 0.063 0.000 2.454 266 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.214 266 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.214 266 G C 1.070 175.928 174.900 -0.070 0.000 1.217 266 G CA 0.836 45.906 45.100 -0.049 0.000 0.799 266 G HN 0.443 nan 8.290 nan 0.000 0.538 267 F N -0.481 119.474 119.950 0.009 0.000 2.664 267 F HA 0.159 4.686 4.527 -0.000 0.000 0.297 267 F C 0.875 176.541 175.800 -0.225 0.000 1.164 267 F CA 0.410 58.352 58.000 -0.096 0.000 1.472 267 F CB -0.148 38.778 39.000 -0.123 0.000 1.108 267 F HN 0.126 nan 8.300 nan 0.000 0.596 268 Y N -1.224 119.191 120.300 0.191 0.000 2.698 268 Y HA 0.226 4.776 4.550 -0.000 0.000 0.261 268 Y C 1.409 177.446 175.900 0.228 0.000 1.104 268 Y CA -0.902 57.348 58.100 0.251 0.000 1.145 268 Y CB -0.239 38.327 38.460 0.176 0.000 1.191 268 Y HN -0.135 nan 8.280 nan 0.000 0.564 269 K N 0.566 121.086 120.400 0.199 0.000 2.218 269 K HA -0.243 4.077 4.320 -0.000 0.000 0.205 269 K C 1.412 178.096 176.600 0.140 0.000 1.046 269 K CA 2.033 58.392 56.287 0.121 0.000 0.933 269 K CB -0.112 32.405 32.500 0.029 0.000 0.728 269 K HN 0.679 nan 8.250 nan 0.000 0.454 270 N N -0.844 117.953 118.700 0.162 0.000 2.364 270 N HA -0.184 4.555 4.740 -0.000 0.000 0.183 270 N C 1.126 176.636 175.510 0.000 0.000 1.022 270 N CA 0.870 53.948 53.050 0.047 0.000 0.883 270 N CB -0.366 38.116 38.487 -0.009 0.000 0.965 270 N HN 0.215 nan 8.380 nan 0.000 0.438 271 W N 0.745 122.142 121.300 0.161 0.000 2.595 271 W HA 0.272 4.931 4.660 -0.000 0.000 0.257 271 W C 2.156 178.738 176.519 0.105 0.000 1.267 271 W CA 0.577 58.026 57.345 0.174 0.000 1.300 271 W CB -0.124 29.508 29.460 0.287 0.000 1.120 271 W HN 0.191 nan 8.180 nan 0.000 0.618 272 A N -0.173 122.771 122.820 0.208 0.000 2.209 272 A HA 0.124 4.443 4.320 -0.000 0.000 0.212 272 A C 2.076 179.712 177.584 0.087 0.000 1.158 272 A CA 1.426 53.536 52.037 0.121 0.000 0.742 272 A CB -0.826 18.218 19.000 0.074 0.000 0.790 272 A HN 0.243 nan 8.150 nan 0.000 0.472 273 G N -1.191 107.640 108.800 0.051 0.000 3.277 273 G HA2 0.443 4.403 3.960 -0.000 0.000 0.243 273 G HA3 0.443 4.403 3.960 -0.000 0.000 0.243 273 G C 0.138 175.034 174.900 -0.006 0.000 1.107 273 G CA 0.061 45.167 45.100 0.011 0.000 0.771 273 G HN 0.443 nan 8.290 nan 0.000 0.544 274 I N -0.629 119.956 120.570 0.024 0.000 2.569 274 I HA 0.626 4.796 4.170 -0.000 0.000 0.290 274 I C -0.592 175.626 176.117 0.168 0.000 1.088 274 I CA -0.486 60.830 61.300 0.027 0.000 1.047 274 I CB 1.944 39.824 38.000 -0.200 0.000 1.237 274 I HN 0.190 nan 8.210 nan 0.000 0.421 275 G N 6.895 115.792 108.800 0.161 0.000 2.781 275 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.468 275 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.468 275 G C -1.317 173.693 174.900 0.184 0.000 1.186 275 G CA -0.936 44.283 45.100 0.198 0.000 1.220 275 G HN 0.652 nan 8.290 nan 0.000 0.564 276 K N 2.005 122.511 120.400 0.177 0.000 2.206 276 K HA 0.549 4.869 4.320 -0.000 0.000 0.268 276 K C 0.169 176.897 176.600 0.212 0.000 1.111 276 K CA -0.268 56.120 56.287 0.167 0.000 0.955 276 K CB 0.830 33.396 32.500 0.109 0.000 1.406 276 K HN 0.615 nan 8.250 nan 0.000 0.427 277 T N -1.498 113.233 114.554 0.294 0.000 2.912 277 T HA 0.575 4.925 4.350 -0.000 0.000 0.299 277 T C -0.510 174.465 174.700 0.458 0.000 1.052 277 T CA -0.928 61.402 62.100 0.384 0.000 0.996 277 T CB 1.681 70.847 68.868 0.497 0.000 1.070 277 T HN 0.260 nan 8.240 nan 0.000 0.465 278 S N 2.017 117.749 115.700 0.054 0.000 2.536 278 S HA 0.790 5.260 4.470 -0.000 0.000 0.271 278 S C -1.371 172.678 174.600 -0.918 0.000 1.134 278 S CA -1.121 56.820 58.200 -0.432 0.000 0.897 278 S CB 1.182 64.277 63.200 -0.174 0.000 1.094 278 S HN 0.955 nan 8.310 nan 0.000 0.473 279 N N 0.412 118.208 118.700 -1.507 0.000 3.433 279 N HA -0.064 4.676 4.740 -0.000 0.000 0.258 279 N C -1.869 172.739 175.510 -1.503 0.000 1.729 279 N CA 0.298 52.404 53.050 -1.574 0.000 1.869 279 N CB -1.253 36.288 38.487 -1.576 0.000 0.789 279 N HN 0.516 nan 8.380 nan 0.000 0.499 280 F N 1.584 121.343 119.950 -0.319 0.000 2.593 280 F HA 0.845 5.372 4.527 -0.000 0.000 0.320 280 F C 0.592 176.446 175.800 0.089 0.000 1.060 280 F CA -1.066 56.917 58.000 -0.029 0.000 0.940 280 F CB 1.634 40.596 39.000 -0.063 0.000 1.268 280 F HN 0.378 nan 8.300 nan 0.000 0.475 281 L N 0.094 121.382 121.223 0.107 0.000 2.582 281 L HA 0.914 5.254 4.340 -0.000 0.000 0.257 281 L C -1.391 175.264 176.870 -0.358 0.000 0.974 281 L CA -0.202 54.488 54.840 -0.250 0.000 0.851 281 L CB 2.555 44.202 42.059 -0.688 0.000 1.424 281 L HN 0.727 nan 8.230 nan 0.000 0.412 282 T N 0.190 114.487 114.554 -0.428 0.000 2.853 282 T HA 0.378 4.728 4.350 -0.000 0.000 0.311 282 T C 0.333 174.669 174.700 -0.607 0.000 1.307 282 T CA 0.064 61.894 62.100 -0.452 0.000 1.019 282 T CB 1.278 69.999 68.868 -0.246 0.000 1.264 282 T HN 1.073 nan 8.240 nan 0.000 0.497 283 C N 1.388 120.318 119.300 -0.617 0.000 2.791 283 C HA 0.755 5.215 4.460 -0.000 0.000 0.288 283 C C 1.420 176.239 174.990 -0.285 0.000 1.271 283 C CA 0.399 59.045 59.018 -0.620 0.000 1.726 283 C CB -1.438 25.892 27.740 -0.685 0.000 2.145 283 C HN 1.680 nan 8.230 nan 0.000 0.572 284 G N 0.545 109.215 108.800 -0.215 0.000 2.699 284 G HA2 0.279 4.239 3.960 -0.000 0.000 0.686 284 G HA3 0.279 4.239 3.960 -0.000 0.000 0.686 284 G C -1.191 173.621 174.900 -0.146 0.000 1.301 284 G CA 0.140 45.171 45.100 -0.116 0.000 0.816 284 G HN 0.871 nan 8.290 nan 0.000 0.595 285 E N -0.928 119.184 120.200 -0.146 0.000 2.413 285 E HA 0.754 5.104 4.350 -0.000 0.000 0.277 285 E C -0.247 176.165 176.600 -0.313 0.000 0.958 285 E CA -0.670 55.468 56.400 -0.435 0.000 0.779 285 E CB 0.730 29.929 29.700 -0.834 0.000 1.278 285 E HN 1.689 nan 8.360 nan 0.000 0.456 286 F N -0.019 119.893 119.950 -0.063 0.000 2.616 286 F HA -0.119 4.408 4.527 -0.000 0.000 0.399 286 F C -2.192 173.582 175.800 -0.043 0.000 1.110 286 F CA 0.151 58.058 58.000 -0.155 0.000 1.278 286 F CB -1.679 37.264 39.000 -0.094 0.000 1.799 286 F HN 0.218 nan 8.300 nan 0.000 0.784 287 P HA 0.187 nan 4.420 nan 0.000 0.274 287 P C 0.548 177.861 177.300 0.021 0.000 1.231 287 P CA -0.006 63.106 63.100 0.020 0.000 0.790 287 P CB 1.839 33.515 31.700 -0.040 0.000 0.951 288 T N -0.706 113.882 114.554 0.056 0.000 2.971 288 T HA 0.112 4.462 4.350 -0.000 0.000 0.252 288 T C -0.320 174.401 174.700 0.036 0.000 1.022 288 T CA 0.403 62.534 62.100 0.052 0.000 0.980 288 T CB -0.274 68.654 68.868 0.100 0.000 1.044 288 T HN 0.649 nan 8.240 nan 0.000 0.501 289 D N -0.085 120.342 120.400 0.044 0.000 2.936 289 D HA 0.201 4.841 4.640 -0.000 0.000 0.238 289 D C 0.444 176.786 176.300 0.070 0.000 1.248 289 D CA -0.470 53.569 54.000 0.064 0.000 0.903 289 D CB 1.228 42.071 40.800 0.072 0.000 1.544 289 D HN -0.179 nan 8.370 nan 0.000 0.543 290 E N 2.150 122.399 120.200 0.083 0.000 2.516 290 E HA -0.071 4.278 4.350 -0.000 0.000 0.199 290 E C -0.059 176.473 176.600 -0.114 0.000 1.069 290 E CA 0.522 56.904 56.400 -0.030 0.000 0.876 290 E CB 0.112 29.748 29.700 -0.108 0.000 0.843 290 E HN 0.601 nan 8.360 nan 0.000 0.530 291 Y N -0.411 119.881 120.300 -0.014 0.000 2.682 291 Y HA 0.236 4.786 4.550 -0.000 0.000 0.251 291 Y C -0.134 175.778 175.900 0.020 0.000 1.172 291 Y CA -0.700 57.401 58.100 0.002 0.000 1.186 291 Y CB 0.831 39.287 38.460 -0.006 0.000 1.216 291 Y HN -0.176 nan 8.280 nan 0.000 0.540 292 D N -0.208 120.265 120.400 0.122 0.000 2.542 292 D HA 0.315 4.955 4.640 -0.000 0.000 0.252 292 D C 0.372 176.707 176.300 0.059 0.000 1.222 292 D CA -0.208 53.846 54.000 0.090 0.000 0.895 292 D CB 1.276 42.128 40.800 0.086 0.000 1.207 292 D HN 0.025 nan 8.370 nan 0.000 0.558 293 L N 2.767 124.020 121.223 0.050 0.000 2.191 293 L HA -0.022 4.318 4.340 -0.000 0.000 0.212 293 L C 1.819 178.711 176.870 0.037 0.000 1.103 293 L CA 0.869 55.726 54.840 0.028 0.000 0.769 293 L CB -0.232 41.837 42.059 0.016 0.000 0.908 293 L HN 0.465 nan 8.230 nan 0.000 0.438 294 N N -0.828 117.901 118.700 0.049 0.000 2.521 294 N HA -0.056 4.684 4.740 -0.000 0.000 0.188 294 N C 1.546 177.097 175.510 0.068 0.000 1.146 294 N CA 1.064 54.146 53.050 0.054 0.000 0.893 294 N CB 0.136 38.654 38.487 0.051 0.000 0.975 294 N HN 0.404 nan 8.380 nan 0.000 0.451 295 S N -0.269 115.474 115.700 0.073 0.000 2.556 295 S HA 0.201 4.671 4.470 -0.000 0.000 0.216 295 S C 0.730 175.404 174.600 0.123 0.000 0.970 295 S CA -0.431 57.822 58.200 0.089 0.000 0.912 295 S CB 0.380 63.626 63.200 0.077 0.000 0.790 295 S HN 0.064 nan 8.310 nan 0.000 0.504 296 R N 0.670 121.242 120.500 0.120 0.000 2.308 296 R HA 0.307 4.646 4.340 -0.000 0.000 0.305 296 R C 0.756 177.219 176.300 0.271 0.000 1.053 296 R CA -0.535 55.673 56.100 0.179 0.000 0.957 296 R CB 0.266 30.624 30.300 0.096 0.000 1.022 296 R HN 0.284 nan 8.270 nan 0.000 0.461 297 Y N 2.650 123.139 120.300 0.314 0.000 2.096 297 Y HA -0.267 4.283 4.550 -0.000 0.000 0.278 297 Y C 1.013 177.157 175.900 0.406 0.000 1.192 297 Y CA 1.937 60.274 58.100 0.395 0.000 1.143 297 Y CB -0.019 38.766 38.460 0.543 0.000 0.963 297 Y HN 0.523 nan 8.280 nan 0.000 0.505 298 T N 1.140 115.788 114.554 0.157 0.000 2.743 298 T HA 0.414 4.764 4.350 -0.000 0.000 0.292 298 T C -2.757 171.942 174.700 -0.001 0.000 0.972 298 T CA -2.465 59.579 62.100 -0.093 0.000 0.967 298 T CB 1.469 70.352 68.868 0.026 0.000 0.926 298 T HN 0.043 nan 8.240 nan 0.000 0.459 299 P HA 0.022 nan 4.420 nan 0.000 0.265 299 P C -0.258 177.026 177.300 -0.026 0.000 1.193 299 P CA -0.106 62.998 63.100 0.007 0.000 0.765 299 P CB 0.534 32.248 31.700 0.022 0.000 0.823 300 Q N 2.462 122.249 119.800 -0.021 0.000 2.286 300 Q HA 0.510 4.850 4.340 -0.000 0.000 0.257 300 Q C -0.609 175.376 176.000 -0.026 0.000 0.941 300 Q CA -0.156 55.612 55.803 -0.059 0.000 0.912 300 Q CB 0.803 29.516 28.738 -0.041 0.000 1.192 300 Q HN 0.678 nan 8.270 nan 0.000 0.410 301 G N 1.287 110.055 108.800 -0.054 0.000 2.632 301 G HA2 0.450 4.410 3.960 -0.000 0.000 0.292 301 G HA3 0.450 4.410 3.960 -0.000 0.000 0.292 301 G C -1.732 173.141 174.900 -0.045 0.000 1.465 301 G CA -0.092 45.003 45.100 -0.008 0.000 0.824 301 G HN 0.748 nan 8.290 nan 0.000 0.509 302 V N -0.169 119.740 119.914 -0.008 0.000 2.604 302 V HA 0.863 4.983 4.120 -0.000 0.000 0.305 302 V C -0.859 175.246 176.094 0.018 0.000 1.043 302 V CA -1.025 61.227 62.300 -0.080 0.000 0.888 302 V CB 1.380 33.063 31.823 -0.233 0.000 0.995 302 V HN 0.683 nan 8.190 nan 0.000 0.429 303 I N 6.183 126.761 120.570 0.013 0.000 2.466 303 I HA 0.393 4.563 4.170 -0.000 0.000 0.279 303 I C -1.085 174.996 176.117 -0.060 0.000 1.033 303 I CA -0.240 61.115 61.300 0.091 0.000 1.123 303 I CB 1.370 39.501 38.000 0.218 0.000 1.237 303 I HN 0.700 nan 8.210 nan 0.000 0.460 304 W N 5.326 126.641 121.300 0.025 0.000 2.261 304 W HA 0.569 5.229 4.660 -0.000 0.000 0.323 304 W C 1.327 177.741 176.519 -0.174 0.000 1.243 304 W CA 1.024 58.304 57.345 -0.107 0.000 1.210 304 W CB 0.461 29.936 29.460 0.026 0.000 1.149 304 W HN 0.796 nan 8.180 nan 0.000 0.562 305 G N 2.851 111.608 108.800 -0.072 0.000 2.602 305 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.310 305 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.310 305 G C 0.507 175.326 174.900 -0.136 0.000 1.183 305 G CA 1.264 46.296 45.100 -0.113 0.000 0.979 305 G HN 0.604 nan 8.290 nan 0.000 0.545 306 N N 0.741 119.423 118.700 -0.031 0.000 2.143 306 N HA 0.274 5.014 4.740 -0.000 0.000 0.229 306 N C -0.580 174.964 175.510 0.057 0.000 1.294 306 N CA 0.342 53.401 53.050 0.015 0.000 0.883 306 N CB 0.836 39.047 38.487 -0.460 0.000 1.148 306 N HN 0.457 nan 8.380 nan 0.000 0.511 307 D N 1.558 122.012 120.400 0.090 0.000 2.398 307 D HA 0.039 4.679 4.640 -0.000 0.000 0.250 307 D C 0.529 176.940 176.300 0.185 0.000 1.287 307 D CA 0.098 54.164 54.000 0.111 0.000 0.992 307 D CB 0.316 41.173 40.800 0.094 0.000 1.071 307 D HN 0.222 nan 8.370 nan 0.000 0.514 308 L N 2.433 123.786 121.223 0.217 0.000 2.747 308 L HA 0.054 4.394 4.340 -0.000 0.000 0.248 308 L C 1.430 178.399 176.870 0.165 0.000 1.191 308 L CA 0.071 55.057 54.840 0.244 0.000 1.003 308 L CB -0.774 41.481 42.059 0.327 0.000 1.235 308 L HN 0.310 nan 8.230 nan 0.000 0.426 309 S N -2.342 113.438 115.700 0.133 0.000 2.589 309 S HA 0.048 4.518 4.470 -0.000 0.000 0.235 309 S C 1.392 176.049 174.600 0.096 0.000 1.051 309 S CA -0.388 57.869 58.200 0.095 0.000 0.978 309 S CB 0.626 63.870 63.200 0.073 0.000 0.929 309 S HN 0.260 nan 8.310 nan 0.000 0.523 310 K N 2.584 123.059 120.400 0.125 0.000 2.074 310 K HA 0.379 4.699 4.320 -0.000 0.000 0.214 310 K C -0.171 176.515 176.600 0.144 0.000 1.029 310 K CA 1.372 57.741 56.287 0.136 0.000 0.966 310 K CB -0.836 31.770 32.500 0.177 0.000 0.945 310 K HN 0.534 nan 8.250 nan 0.000 0.453 311 V N 2.048 122.074 119.914 0.186 0.000 3.559 311 V HA -0.195 3.925 4.120 -0.000 0.000 0.476 311 V C -0.971 175.220 176.094 0.161 0.000 0.682 311 V CA 0.752 63.151 62.300 0.165 0.000 1.988 311 V CB -2.205 29.690 31.823 0.121 0.000 2.423 311 V HN 0.824 nan 8.190 nan 0.000 0.500 312 D N 3.128 123.653 120.400 0.207 0.000 2.506 312 D HA 0.698 5.338 4.640 -0.000 0.000 0.254 312 D C -0.507 175.887 176.300 0.157 0.000 1.089 312 D CA -0.910 53.209 54.000 0.198 0.000 1.050 312 D CB 0.841 41.794 40.800 0.256 0.000 1.221 312 D HN 0.458 nan 8.370 nan 0.000 0.589 313 D N -0.297 120.187 120.400 0.141 0.000 2.382 313 D HA 0.092 4.732 4.640 -0.000 0.000 0.245 313 D C -0.481 175.897 176.300 0.131 0.000 1.120 313 D CA -0.156 53.913 54.000 0.114 0.000 0.890 313 D CB 0.570 41.418 40.800 0.079 0.000 1.201 313 D HN 0.269 nan 8.370 nan 0.000 0.433 314 F N 2.796 122.720 119.950 -0.043 0.000 2.506 314 F HA 0.124 4.651 4.527 -0.000 0.000 0.371 314 F C 0.039 175.830 175.800 -0.015 0.000 1.078 314 F CA -0.689 57.257 58.000 -0.089 0.000 1.195 314 F CB 0.134 39.002 39.000 -0.220 0.000 1.099 314 F HN 0.098 nan 8.300 nan 0.000 0.548 315 N N 8.333 126.668 118.700 -0.609 0.000 2.524 315 N HA 0.398 5.138 4.740 -0.000 0.000 0.261 315 N C -2.624 172.513 175.510 -0.622 0.000 0.998 315 N CA -2.560 50.179 53.050 -0.517 0.000 0.915 315 N CB 1.664 40.064 38.487 -0.146 0.000 1.187 315 N HN 0.290 nan 8.380 nan 0.000 0.507 316 P HA 0.152 nan 4.420 nan 0.000 0.259 316 P C -0.389 177.053 177.300 0.235 0.000 1.480 316 P CA 0.226 63.289 63.100 -0.062 0.000 0.842 316 P CB 0.529 32.414 31.700 0.307 0.000 1.513 317 D N 0.054 120.449 120.400 -0.009 0.000 2.262 317 D HA 0.037 4.677 4.640 -0.000 0.000 0.212 317 D C 0.857 177.057 176.300 -0.167 0.000 0.964 317 D CA 0.869 54.791 54.000 -0.130 0.000 0.875 317 D CB 0.083 40.809 40.800 -0.123 0.000 0.996 317 D HN 0.241 nan 8.370 nan 0.000 0.497 318 L N 0.666 121.798 121.223 -0.152 0.000 2.556 318 L HA 0.473 4.812 4.340 -0.000 0.000 0.245 318 L C -0.508 176.210 176.870 -0.253 0.000 1.174 318 L CA -0.974 53.737 54.840 -0.216 0.000 1.117 318 L CB 0.220 42.117 42.059 -0.269 0.000 1.409 318 L HN -0.172 nan 8.230 nan 0.000 0.411 319 I N -0.105 120.477 120.570 0.019 0.000 2.599 319 I HA 0.647 4.816 4.170 -0.000 0.000 0.285 319 I C -1.217 174.933 176.117 0.055 0.000 1.168 319 I CA -0.730 60.663 61.300 0.155 0.000 1.060 319 I CB 2.078 40.375 38.000 0.495 0.000 1.249 319 I HN 0.537 nan 8.210 nan 0.000 0.442 320 E N 4.876 125.043 120.200 -0.054 0.000 2.281 320 E HA 0.501 4.851 4.350 -0.000 0.000 0.266 320 E C -1.292 175.131 176.600 -0.296 0.000 0.893 320 E CA -0.714 55.581 56.400 -0.175 0.000 0.798 320 E CB 1.493 31.082 29.700 -0.184 0.000 1.245 320 E HN 0.671 nan 8.360 nan 0.000 0.410 321 E N 2.414 122.444 120.200 -0.284 0.000 2.425 321 E HA 0.130 4.480 4.350 -0.000 0.000 0.258 321 E C -0.155 176.244 176.600 -0.334 0.000 1.151 321 E CA 0.321 56.572 56.400 -0.249 0.000 0.958 321 E CB 0.608 30.180 29.700 -0.212 0.000 0.968 321 E HN 0.448 nan 8.360 nan 0.000 0.451 322 H N -1.082 117.885 119.070 -0.172 0.000 2.908 322 H HA 0.388 4.944 4.556 -0.000 0.000 0.350 322 H C 0.146 175.386 175.328 -0.147 0.000 1.217 322 H CA -0.684 55.267 56.048 -0.162 0.000 1.168 322 H CB 1.443 31.120 29.762 -0.141 0.000 1.891 322 H HN 0.378 nan 8.280 nan 0.000 0.566 323 V N -1.280 118.637 119.914 0.005 0.000 5.486 323 V HA 0.315 4.435 4.120 -0.000 0.000 0.127 323 V C 1.486 177.509 176.094 -0.118 0.000 0.885 323 V CA 0.317 62.602 62.300 -0.024 0.000 1.394 323 V CB -0.091 31.744 31.823 0.021 0.000 2.448 323 V HN 0.872 nan 8.190 nan 0.000 0.355 324 K N -0.379 119.926 120.400 -0.158 0.000 8.476 324 K HA -0.309 4.011 4.320 -0.000 0.000 0.488 324 K C 0.740 177.147 176.600 -0.323 0.000 0.381 324 K CA 2.709 58.802 56.287 -0.323 0.000 1.931 324 K CB -1.615 30.560 32.500 -0.541 0.000 0.770 324 K HN 0.764 nan 8.250 nan 0.000 0.953 325 Y N 0.857 121.085 120.300 -0.119 0.000 2.734 325 Y HA 0.496 5.046 4.550 -0.000 0.000 0.278 325 Y C -0.396 175.202 175.900 -0.504 0.000 1.108 325 Y CA -0.317 57.660 58.100 -0.206 0.000 1.211 325 Y CB 0.752 39.180 38.460 -0.053 0.000 1.182 325 Y HN 0.020 nan 8.280 nan 0.000 0.547 326 S N -1.187 114.334 115.700 -0.298 0.000 2.570 326 S HA 0.336 4.806 4.470 -0.000 0.000 0.286 326 S C -0.900 173.483 174.600 -0.362 0.000 1.099 326 S CA -0.801 57.163 58.200 -0.393 0.000 0.913 326 S CB 1.376 64.560 63.200 -0.028 0.000 1.085 326 S HN 0.266 nan 8.310 nan 0.000 0.480 327 W N 2.793 123.813 121.300 -0.467 0.000 1.518 327 W HA 0.404 5.064 4.660 -0.000 0.000 0.426 327 W C -1.135 174.878 176.519 -0.843 0.000 0.675 327 W CA -0.617 56.287 57.345 -0.735 0.000 1.936 327 W CB -1.226 27.449 29.460 -1.309 0.000 1.749 327 W HN 0.539 nan 8.180 nan 0.000 0.247 328 Y N -0.520 119.827 120.300 0.078 0.000 2.562 328 Y HA 0.186 4.736 4.550 -0.000 0.000 0.345 328 Y C 0.774 176.704 175.900 0.049 0.000 1.045 328 Y CA -1.615 56.536 58.100 0.085 0.000 1.028 328 Y CB 1.150 39.654 38.460 0.073 0.000 1.297 328 Y HN 0.010 nan 8.280 nan 0.000 0.463 329 E N 1.350 121.673 120.200 0.204 0.000 2.437 329 E HA 0.305 4.655 4.350 -0.000 0.000 0.263 329 E C 0.745 177.393 176.600 0.079 0.000 1.030 329 E CA 0.899 57.368 56.400 0.116 0.000 0.934 329 E CB 0.357 30.120 29.700 0.106 0.000 0.943 329 E HN 0.906 nan 8.360 nan 0.000 0.444 330 G N 1.856 110.682 108.800 0.044 0.000 2.601 330 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.261 330 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.261 330 G C 0.369 175.260 174.900 -0.016 0.000 1.289 330 G CA 0.314 45.420 45.100 0.011 0.000 0.920 330 G HN 0.816 nan 8.290 nan 0.000 0.571 331 A N -0.949 121.842 122.820 -0.048 0.000 2.530 331 A HA 0.502 4.822 4.320 -0.000 0.000 0.214 331 A C 0.590 178.113 177.584 -0.101 0.000 1.352 331 A CA 1.245 53.233 52.037 -0.083 0.000 1.035 331 A CB 0.192 19.136 19.000 -0.093 0.000 1.296 331 A HN 1.472 nan 8.150 nan 0.000 0.563 332 D N 1.233 121.560 120.400 -0.123 0.000 2.399 332 D HA 0.457 5.097 4.640 -0.000 0.000 0.241 332 D C 0.172 176.244 176.300 -0.380 0.000 1.133 332 D CA 0.514 54.400 54.000 -0.190 0.000 0.890 332 D CB 0.914 41.627 40.800 -0.145 0.000 1.201 332 D HN 0.313 nan 8.370 nan 0.000 0.432 333 A N 1.633 124.205 122.820 -0.414 0.000 2.320 333 A HA 0.639 4.959 4.320 -0.000 0.000 0.334 333 A C -0.757 176.517 177.584 -0.517 0.000 1.147 333 A CA -0.706 50.999 52.037 -0.552 0.000 0.820 333 A CB 0.932 19.513 19.000 -0.698 0.000 1.218 333 A HN 0.680 nan 8.150 nan 0.000 0.482 334 H N 0.662 119.596 119.070 -0.227 0.000 2.954 334 H HA 0.254 4.810 4.556 -0.000 0.000 0.361 334 H C -0.743 174.475 175.328 -0.184 0.000 1.122 334 H CA -0.566 55.387 56.048 -0.158 0.000 1.217 334 H CB 1.000 30.687 29.762 -0.124 0.000 1.776 334 H HN 0.897 nan 8.280 nan 0.000 0.533 335 H N 4.249 123.261 119.070 -0.096 0.000 2.707 335 H HA 0.026 4.582 4.556 -0.000 0.000 0.359 335 H C -1.772 173.357 175.328 -0.332 0.000 1.113 335 H CA -1.260 54.645 56.048 -0.237 0.000 1.422 335 H CB 1.294 30.940 29.762 -0.195 0.000 1.443 335 H HN 0.234 nan 8.280 nan 0.000 0.591 336 P HA -0.276 nan 4.420 nan 0.000 0.210 336 P C 1.118 178.050 177.300 -0.613 0.000 1.151 336 P CA 1.523 63.955 63.100 -1.114 0.000 0.949 336 P CB -0.328 30.062 31.700 -2.183 0.000 0.786 337 Y N -0.759 119.140 120.300 -0.669 0.000 2.465 337 Y HA -0.185 4.365 4.550 -0.000 0.000 0.277 337 Y C 1.784 177.623 175.900 -0.103 0.000 1.190 337 Y CA 1.193 59.189 58.100 -0.174 0.000 1.385 337 Y CB -0.956 37.558 38.460 0.090 0.000 0.966 337 Y HN 0.058 nan 8.280 nan 0.000 0.579 338 K N -1.137 119.265 120.400 0.003 0.000 2.586 338 K HA 0.300 4.620 4.320 -0.000 0.000 0.198 338 K C 0.525 177.015 176.600 -0.183 0.000 1.170 338 K CA 0.265 56.504 56.287 -0.080 0.000 1.069 338 K CB 0.412 32.864 32.500 -0.079 0.000 0.944 338 K HN 0.089 nan 8.250 nan 0.000 0.572 339 G N 0.057 108.796 108.800 -0.102 0.000 2.569 339 G HA2 0.371 4.331 3.960 -0.000 0.000 0.249 339 G HA3 0.371 4.331 3.960 -0.000 0.000 0.249 339 G C -0.947 173.964 174.900 0.018 0.000 1.216 339 G CA -0.289 44.801 45.100 -0.017 0.000 0.845 339 G HN 0.060 nan 8.290 nan 0.000 0.568 340 V N -0.116 119.854 119.914 0.094 0.000 2.914 340 V HA 0.821 4.941 4.120 -0.000 0.000 0.314 340 V C -0.373 175.738 176.094 0.028 0.000 1.084 340 V CA -0.534 61.810 62.300 0.074 0.000 0.963 340 V CB 2.730 34.627 31.823 0.123 0.000 1.025 340 V HN 0.814 nan 8.190 nan 0.000 0.432 341 T N 5.858 120.449 114.554 0.063 0.000 3.160 341 T HA 0.352 4.702 4.350 -0.000 0.000 0.346 341 T C -1.107 173.720 174.700 0.211 0.000 1.027 341 T CA -0.602 61.550 62.100 0.086 0.000 1.287 341 T CB -0.052 68.870 68.868 0.090 0.000 0.997 341 T HN 0.754 nan 8.240 nan 0.000 0.518 342 K N 1.536 122.093 120.400 0.261 0.000 2.579 342 K HA 0.567 4.887 4.320 -0.000 0.000 0.250 342 K C -3.454 173.360 176.600 0.357 0.000 0.952 342 K CA -2.158 54.287 56.287 0.263 0.000 0.857 342 K CB 2.246 34.848 32.500 0.170 0.000 1.123 342 K HN 0.104 nan 8.250 nan 0.000 0.433 343 P HA 0.152 nan 4.420 nan 0.000 0.272 343 P C -0.179 177.179 177.300 0.098 0.000 1.223 343 P CA -0.443 62.726 63.100 0.115 0.000 0.784 343 P CB 1.089 32.697 31.700 -0.153 0.000 0.923 344 K N 2.052 122.476 120.400 0.040 0.000 2.786 344 K HA 0.273 4.593 4.320 -0.000 0.000 0.224 344 K C -0.768 175.890 176.600 0.097 0.000 1.089 344 K CA 0.202 56.525 56.287 0.059 0.000 1.162 344 K CB -0.166 32.361 32.500 0.044 0.000 1.585 344 K HN 0.664 nan 8.250 nan 0.000 0.466 345 W N 1.110 122.245 121.300 -0.274 0.000 3.079 345 W HA -0.205 4.455 4.660 -0.000 0.000 0.460 345 W C -0.670 175.628 176.519 -0.368 0.000 1.849 345 W CA 0.888 57.854 57.345 -0.631 0.000 0.459 345 W CB -1.423 27.735 29.460 -0.503 0.000 2.859 345 W HN 0.495 nan 8.180 nan 0.000 0.417 346 T N 0.580 114.483 114.554 -1.084 0.000 3.084 346 T HA 0.292 4.642 4.350 -0.000 0.000 0.270 346 T C 0.813 174.943 174.700 -0.950 0.000 1.008 346 T CA 0.926 62.609 62.100 -0.695 0.000 0.900 346 T CB 0.662 69.425 68.868 -0.175 0.000 1.084 346 T HN 0.661 nan 8.240 nan 0.000 0.538 347 E N -0.057 118.884 120.200 -2.099 0.000 4.252 347 E HA -0.127 4.223 4.350 -0.000 0.000 0.373 347 E C -0.603 175.450 176.600 -0.911 0.000 0.570 347 E CA 0.928 56.356 56.400 -1.621 0.000 1.570 347 E CB -1.293 28.090 29.700 -0.528 0.000 1.887 347 E HN 0.495 nan 8.360 nan 0.000 0.407 348 F N -0.403 119.206 119.950 -0.568 0.000 2.501 348 F HA 0.081 4.608 4.527 -0.000 0.000 0.252 348 F C 0.436 176.219 175.800 -0.028 0.000 0.817 348 F CA 0.297 58.245 58.000 -0.087 0.000 0.958 348 F CB -0.955 38.028 39.000 -0.028 0.000 1.508 348 F HN 0.231 nan 8.300 nan 0.000 0.698 349 H N -0.828 118.351 119.070 0.182 0.000 3.612 349 H HA -0.202 4.353 4.556 -0.000 0.000 0.212 349 H C 1.200 176.550 175.328 0.038 0.000 1.041 349 H CA 1.514 57.578 56.048 0.026 0.000 1.205 349 H CB -1.002 28.700 29.762 -0.100 0.000 1.159 349 H HN 0.855 nan 8.280 nan 0.000 0.323 350 G N 0.645 109.516 108.800 0.119 0.000 2.380 350 G HA2 0.212 4.172 3.960 -0.000 0.000 0.242 350 G HA3 0.212 4.172 3.960 -0.000 0.000 0.242 350 G C 0.592 175.539 174.900 0.079 0.000 1.298 350 G CA 0.576 45.698 45.100 0.037 0.000 0.878 350 G HN 0.460 nan 8.290 nan 0.000 0.542 351 E N 1.186 121.425 120.200 0.065 0.000 2.735 351 E HA -0.282 4.068 4.350 -0.000 0.000 0.261 351 E C 0.415 177.115 176.600 0.166 0.000 1.137 351 E CA 0.804 57.259 56.400 0.092 0.000 0.754 351 E CB -0.351 29.392 29.700 0.072 0.000 1.352 351 E HN 0.802 nan 8.360 nan 0.000 0.430 352 D N -2.217 118.279 120.400 0.161 0.000 2.792 352 D HA -0.192 4.447 4.640 -0.000 0.000 0.192 352 D C 0.057 176.482 176.300 0.208 0.000 1.007 352 D CA 1.541 55.650 54.000 0.181 0.000 1.020 352 D CB -0.983 39.909 40.800 0.154 0.000 1.089 352 D HN 0.414 nan 8.370 nan 0.000 0.438 353 R N 0.350 120.936 120.500 0.143 0.000 2.489 353 R HA 0.211 4.550 4.340 -0.000 0.000 0.287 353 R C 1.199 177.285 176.300 -0.357 0.000 1.053 353 R CA 0.394 56.412 56.100 -0.137 0.000 1.036 353 R CB 0.095 30.246 30.300 -0.248 0.000 0.966 353 R HN 0.401 nan 8.270 nan 0.000 0.432 354 Y N -1.587 118.189 120.300 -0.873 0.000 2.540 354 Y HA 0.391 4.941 4.550 -0.000 0.000 0.257 354 Y C -0.016 175.107 175.900 -1.295 0.000 1.090 354 Y CA -0.756 56.764 58.100 -0.967 0.000 1.242 354 Y CB 0.696 38.764 38.460 -0.654 0.000 1.325 354 Y HN 0.383 nan 8.280 nan 0.000 0.544 355 S N -0.765 113.907 115.700 -1.713 0.000 2.546 355 S HA 0.267 4.737 4.470 -0.000 0.000 0.274 355 S C -0.777 173.406 174.600 -0.696 0.000 1.121 355 S CA -0.689 56.901 58.200 -1.018 0.000 0.887 355 S CB 0.406 63.243 63.200 -0.604 0.000 1.094 355 S HN 0.389 nan 8.310 nan 0.000 0.474 356 W N 2.856 124.190 121.300 0.058 0.000 2.595 356 W HA 0.212 4.872 4.660 -0.000 0.000 0.257 356 W C 1.037 177.739 176.519 0.305 0.000 1.267 356 W CA -0.180 57.347 57.345 0.304 0.000 1.300 356 W CB 0.174 29.908 29.460 0.457 0.000 1.120 356 W HN 0.343 nan 8.180 nan 0.000 0.618 357 M N 1.623 121.417 119.600 0.323 0.000 2.217 357 M HA 0.102 4.581 4.480 -0.000 0.000 0.354 357 M C 0.480 176.852 176.300 0.120 0.000 1.225 357 M CA 0.391 55.800 55.300 0.182 0.000 1.137 357 M CB 0.816 33.460 32.600 0.074 0.000 1.576 357 M HN -0.201 nan 8.290 nan 0.000 0.461 358 K N 1.520 121.958 120.400 0.063 0.000 2.120 358 K HA 0.499 4.819 4.320 -0.000 0.000 0.245 358 K C -0.205 176.359 176.600 -0.060 0.000 1.024 358 K CA -0.471 55.799 56.287 -0.028 0.000 0.906 358 K CB 0.557 32.975 32.500 -0.137 0.000 1.051 358 K HN 0.736 nan 8.250 nan 0.000 0.491 359 A N 2.887 125.671 122.820 -0.060 0.000 2.394 359 A HA 0.293 4.613 4.320 -0.000 0.000 0.333 359 A C -2.364 175.175 177.584 -0.074 0.000 1.397 359 A CA -1.667 50.331 52.037 -0.065 0.000 0.884 359 A CB 0.137 19.110 19.000 -0.045 0.000 1.147 359 A HN 0.349 nan 8.150 nan 0.000 0.505 360 P HA 0.133 nan 4.420 nan 0.000 0.271 360 P C -0.614 176.349 177.300 -0.562 0.000 1.380 360 P CA 0.040 62.785 63.100 -0.593 0.000 0.992 360 P CB 0.362 31.331 31.700 -1.219 0.000 1.230 361 R N 2.929 123.378 120.500 -0.086 0.000 2.349 361 R HA 0.241 4.580 4.340 -0.000 0.000 0.299 361 R C 0.600 177.044 176.300 0.240 0.000 1.027 361 R CA -0.675 55.522 56.100 0.162 0.000 0.958 361 R CB 0.589 31.061 30.300 0.286 0.000 1.047 361 R HN 0.392 nan 8.270 nan 0.000 0.468 362 Y N 3.104 123.640 120.300 0.393 0.000 3.081 362 Y HA -0.153 4.397 4.550 -0.000 0.000 0.520 362 Y C 2.083 178.152 175.900 0.282 0.000 1.414 362 Y CA 0.768 59.093 58.100 0.377 0.000 2.180 362 Y CB 0.012 38.492 38.460 0.033 0.000 1.747 362 Y HN 0.375 nan 8.280 nan 0.000 0.671 363 K N -0.082 120.168 120.400 -0.251 0.000 2.013 363 K HA -0.195 4.125 4.320 -0.000 0.000 0.225 363 K C 1.478 178.176 176.600 0.163 0.000 1.056 363 K CA 2.411 58.676 56.287 -0.036 0.000 0.971 363 K CB -1.198 31.642 32.500 0.568 0.000 0.731 363 K HN 0.871 nan 8.250 nan 0.000 0.450 364 G N -1.186 107.820 108.800 0.343 0.000 2.818 364 G HA2 0.035 3.995 3.960 -0.000 0.000 0.170 364 G HA3 0.035 3.995 3.960 -0.000 0.000 0.170 364 G C -0.490 174.596 174.900 0.309 0.000 1.345 364 G CA -0.320 44.941 45.100 0.268 0.000 0.861 364 G HN 0.197 nan 8.290 nan 0.000 0.936 365 E N 0.817 121.305 120.200 0.479 0.000 2.266 365 E HA 0.672 5.022 4.350 -0.000 0.000 0.277 365 E C 1.310 178.267 176.600 0.594 0.000 1.018 365 E CA 0.274 56.970 56.400 0.493 0.000 0.840 365 E CB 1.587 31.652 29.700 0.609 0.000 1.082 365 E HN 0.107 nan 8.360 nan 0.000 0.395 366 A N 3.782 126.830 122.820 0.380 0.000 1.909 366 A HA -0.219 4.101 4.320 -0.000 0.000 0.221 366 A C 0.152 178.080 177.584 0.573 0.000 1.223 366 A CA 1.173 53.427 52.037 0.363 0.000 0.658 366 A CB -0.945 18.172 19.000 0.196 0.000 0.831 366 A HN 0.695 nan 8.150 nan 0.000 0.462 367 F N -1.315 118.784 119.950 0.249 0.000 1.976 367 F HA -0.172 4.355 4.527 -0.000 0.000 0.336 367 F C 0.335 176.288 175.800 0.256 0.000 1.103 367 F CA 1.354 59.452 58.000 0.165 0.000 1.094 367 F CB -0.109 38.919 39.000 0.047 0.000 1.735 367 F HN 0.552 nan 8.300 nan 0.000 0.731 368 E N 3.994 124.433 120.200 0.397 0.000 2.092 368 E HA 0.552 4.902 4.350 -0.000 0.000 0.271 368 E C -0.372 176.405 176.600 0.295 0.000 0.919 368 E CA -0.748 55.917 56.400 0.441 0.000 0.760 368 E CB 1.225 31.264 29.700 0.566 0.000 1.106 368 E HN 0.544 nan 8.360 nan 0.000 0.408 369 V N 2.366 122.355 119.914 0.124 0.000 3.665 369 V HA 0.904 5.024 4.120 -0.000 0.000 0.279 369 V C 0.705 176.789 176.094 -0.017 0.000 1.000 369 V CA 0.661 62.918 62.300 -0.071 0.000 0.935 369 V CB 0.467 32.117 31.823 -0.288 0.000 1.240 369 V HN 0.996 nan 8.190 nan 0.000 0.418 370 G N -0.325 108.436 108.800 -0.065 0.000 2.627 370 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.214 370 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.214 370 G C -2.032 172.806 174.900 -0.103 0.000 1.331 370 G CA -0.062 45.004 45.100 -0.057 0.000 0.891 370 G HN 0.770 nan 8.290 nan 0.000 0.539 371 P HA 0.014 nan 4.420 nan 0.000 0.216 371 P C 2.276 179.459 177.300 -0.195 0.000 1.153 371 P CA 1.363 64.391 63.100 -0.120 0.000 0.848 371 P CB 0.040 31.676 31.700 -0.107 0.000 0.787 372 L N 0.502 121.558 121.223 -0.278 0.000 1.956 372 L HA -0.173 4.167 4.340 -0.000 0.000 0.216 372 L C 2.430 179.041 176.870 -0.432 0.000 1.073 372 L CA 2.417 57.000 54.840 -0.429 0.000 0.762 372 L CB -1.765 39.939 42.059 -0.591 0.000 0.889 372 L HN -0.062 nan 8.230 nan 0.000 0.433 373 A N -1.533 121.052 122.820 -0.391 0.000 1.917 373 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 373 A C 2.381 179.884 177.584 -0.136 0.000 1.182 373 A CA 2.380 54.294 52.037 -0.206 0.000 0.633 373 A CB -1.130 17.844 19.000 -0.043 0.000 0.819 373 A HN 0.597 nan 8.150 nan 0.000 0.448 374 S N -0.552 115.065 115.700 -0.139 0.000 2.351 374 S HA -0.151 4.319 4.470 -0.000 0.000 0.220 374 S C 1.820 176.364 174.600 -0.094 0.000 1.035 374 S CA 1.616 59.757 58.200 -0.098 0.000 1.031 374 S CB -0.626 62.538 63.200 -0.061 0.000 0.928 374 S HN 0.372 nan 8.310 nan 0.000 0.433 375 V N 2.140 121.982 119.914 -0.120 0.000 2.867 375 V HA -0.086 4.034 4.120 -0.000 0.000 0.260 375 V C 1.885 177.926 176.094 -0.089 0.000 1.099 375 V CA 1.146 63.379 62.300 -0.111 0.000 1.122 375 V CB -0.906 30.829 31.823 -0.146 0.000 0.708 375 V HN 0.373 nan 8.190 nan 0.000 0.490 376 L N -1.080 120.074 121.223 -0.115 0.000 2.102 376 L HA -0.022 4.318 4.340 -0.000 0.000 0.202 376 L C 2.476 179.394 176.870 0.081 0.000 1.076 376 L CA 0.708 55.528 54.840 -0.034 0.000 0.761 376 L CB -0.608 41.384 42.059 -0.111 0.000 0.921 376 L HN 0.133 nan 8.230 nan 0.000 0.444 377 V N 0.591 120.525 119.914 0.034 0.000 2.287 377 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 377 V C 2.798 178.917 176.094 0.041 0.000 1.053 377 V CA 1.970 64.294 62.300 0.040 0.000 1.027 377 V CB -0.854 30.967 31.823 -0.004 0.000 0.646 377 V HN 0.474 nan 8.190 nan 0.000 0.447 378 A N -0.954 121.874 122.820 0.014 0.000 1.851 378 A HA -0.293 4.026 4.320 -0.000 0.000 0.216 378 A C 2.151 179.794 177.584 0.098 0.000 1.195 378 A CA 2.250 54.292 52.037 0.008 0.000 0.622 378 A CB -0.991 17.950 19.000 -0.098 0.000 0.831 378 A HN 0.567 nan 8.150 nan 0.000 0.444 379 Y N 0.555 120.848 120.300 -0.012 0.000 2.069 379 Y HA -0.221 4.328 4.550 -0.000 0.000 0.278 379 Y C 2.426 178.347 175.900 0.034 0.000 1.175 379 Y CA 1.464 59.572 58.100 0.012 0.000 1.134 379 Y CB -0.612 37.847 38.460 -0.001 0.000 0.965 379 Y HN 0.295 nan 8.280 nan 0.000 0.498 380 A N -0.397 122.501 122.820 0.130 0.000 2.215 380 A HA 0.039 4.359 4.320 -0.000 0.000 0.208 380 A C 0.967 178.562 177.584 0.019 0.000 1.296 380 A CA 0.870 52.944 52.037 0.061 0.000 0.918 380 A CB -0.713 18.366 19.000 0.131 0.000 0.806 380 A HN 0.523 nan 8.150 nan 0.000 0.490 381 K N -1.766 118.631 120.400 -0.005 0.000 3.199 381 K HA 0.320 4.640 4.320 -0.000 0.000 0.181 381 K C 0.656 177.256 176.600 -0.001 0.000 1.067 381 K CA 0.475 56.766 56.287 0.006 0.000 1.021 381 K CB 0.454 32.975 32.500 0.034 0.000 0.688 381 K HN 0.274 nan 8.250 nan 0.000 0.415 382 K N -0.077 120.296 120.400 -0.046 0.000 3.580 382 K HA -0.307 4.013 4.320 -0.000 0.000 0.288 382 K C 0.072 176.669 176.600 -0.005 0.000 1.160 382 K CA 2.143 58.400 56.287 -0.050 0.000 1.053 382 K CB -2.624 nan 32.500 nan 0.000 1.362 382 K HN 0.747 nan 8.250 nan 0.000 0.436 383 H N 1.285 120.320 119.070 -0.058 0.000 3.204 383 H HA 0.067 4.623 4.556 -0.000 0.000 0.232 383 H C 1.696 177.001 175.328 -0.038 0.000 0.773 383 H CA 1.204 57.212 56.048 -0.067 0.000 1.408 383 H CB 0.279 29.977 29.762 -0.106 0.000 1.458 383 H HN 0.673 nan 8.280 nan 0.000 0.488 384 E N 5.827 125.974 120.200 -0.088 0.000 2.033 384 E HA -0.174 4.176 4.350 -0.000 0.000 0.199 384 E C -0.755 175.890 176.600 0.075 0.000 1.011 384 E CA 1.327 57.716 56.400 -0.019 0.000 0.815 384 E CB -0.611 29.053 29.700 -0.060 0.000 0.755 384 E HN 0.683 nan 8.360 nan 0.000 0.451 385 P HA -0.123 nan 4.420 nan 0.000 0.217 385 P C 1.393 178.809 177.300 0.194 0.000 1.148 385 P CA 1.459 64.658 63.100 0.166 0.000 0.828 385 P CB -0.273 31.561 31.700 0.223 0.000 0.783 386 T N 0.303 115.027 114.554 0.285 0.000 2.737 386 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 386 T C 1.882 176.687 174.700 0.176 0.000 1.038 386 T CA 1.951 64.150 62.100 0.165 0.000 1.144 386 T CB -0.926 67.999 68.868 0.096 0.000 0.866 386 T HN 0.045 nan 8.240 nan 0.000 0.434 387 V N 0.464 120.517 119.914 0.232 0.000 2.229 387 V HA -0.075 4.045 4.120 -0.000 0.000 0.243 387 V C 2.277 178.473 176.094 0.170 0.000 1.042 387 V CA 1.325 63.811 62.300 0.311 0.000 1.000 387 V CB -0.784 31.162 31.823 0.205 0.000 0.637 387 V HN 0.165 nan 8.190 nan 0.000 0.446 388 K N 0.854 121.318 120.400 0.107 0.000 2.227 388 K HA -0.282 4.037 4.320 -0.000 0.000 0.208 388 K C 2.292 178.915 176.600 0.039 0.000 1.045 388 K CA 2.162 58.485 56.287 0.060 0.000 0.931 388 K CB -0.968 31.558 32.500 0.043 0.000 0.721 388 K HN 0.756 nan 8.250 nan 0.000 0.469 389 A N 0.481 123.326 122.820 0.043 0.000 1.854 389 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 389 A C 2.325 179.888 177.584 -0.035 0.000 1.192 389 A CA 1.685 53.721 52.037 -0.002 0.000 0.611 389 A CB -0.774 18.227 19.000 0.002 0.000 0.832 389 A HN 0.172 nan 8.150 nan 0.000 0.442 390 V N 0.423 120.317 119.914 -0.033 0.000 2.270 390 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 390 V C 1.889 177.942 176.094 -0.069 0.000 1.043 390 V CA 3.002 65.235 62.300 -0.112 0.000 1.014 390 V CB -0.946 30.714 31.823 -0.272 0.000 0.645 390 V HN 0.531 nan 8.190 nan 0.000 0.447 391 D N 0.198 120.609 120.400 0.019 0.000 2.191 391 D HA -0.268 4.372 4.640 -0.000 0.000 0.190 391 D C 1.986 178.284 176.300 -0.004 0.000 1.007 391 D CA 2.435 56.462 54.000 0.044 0.000 0.865 391 D CB -0.443 40.410 40.800 0.088 0.000 0.929 391 D HN 0.622 nan 8.370 nan 0.000 0.447 392 L N -0.365 120.847 121.223 -0.019 0.000 2.044 392 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 392 L C 2.111 178.944 176.870 -0.060 0.000 1.075 392 L CA 0.887 55.705 54.840 -0.037 0.000 0.747 392 L CB -0.191 41.842 42.059 -0.042 0.000 0.903 392 L HN -0.095 nan 8.230 nan 0.000 0.435 393 V N 0.411 120.276 119.914 -0.082 0.000 2.214 393 V HA -0.353 3.767 4.120 -0.000 0.000 0.244 393 V C 2.539 178.581 176.094 -0.088 0.000 1.045 393 V CA 2.208 64.445 62.300 -0.105 0.000 0.993 393 V CB -0.816 30.926 31.823 -0.136 0.000 0.633 393 V HN 0.458 nan 8.190 nan 0.000 0.449 394 L N 0.043 121.212 121.223 -0.090 0.000 2.230 394 L HA -0.288 4.052 4.340 -0.000 0.000 0.217 394 L C 2.434 179.276 176.870 -0.048 0.000 1.090 394 L CA 2.465 57.262 54.840 -0.072 0.000 0.771 394 L CB -0.572 41.442 42.059 -0.074 0.000 0.892 394 L HN 0.482 nan 8.230 nan 0.000 0.438 395 K N -1.852 118.522 120.400 -0.044 0.000 2.102 395 K HA -0.083 4.237 4.320 -0.000 0.000 0.208 395 K C 1.967 178.540 176.600 -0.045 0.000 1.027 395 K CA 1.363 57.629 56.287 -0.035 0.000 0.958 395 K CB -0.580 31.904 32.500 -0.025 0.000 0.819 395 K HN 0.080 nan 8.250 nan 0.000 0.453 396 T N 2.717 117.240 114.554 -0.052 0.000 2.668 396 T HA -0.227 4.123 4.350 -0.000 0.000 0.265 396 T C 1.858 176.520 174.700 -0.063 0.000 1.041 396 T CA 2.083 64.148 62.100 -0.058 0.000 1.160 396 T CB -0.287 68.540 68.868 -0.068 0.000 0.857 396 T HN 0.204 nan 8.240 nan 0.000 0.455 397 L N -0.247 120.936 121.223 -0.067 0.000 1.973 397 L HA 0.122 4.462 4.340 -0.000 0.000 0.208 397 L C 1.777 178.614 176.870 -0.054 0.000 1.073 397 L CA 1.231 56.032 54.840 -0.065 0.000 0.746 397 L CB -0.786 41.234 42.059 -0.065 0.000 0.891 397 L HN 0.610 nan 8.230 nan 0.000 0.433 398 G N 0.193 108.967 108.800 -0.044 0.000 2.683 398 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.234 398 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.234 398 G C -0.425 174.460 174.900 -0.025 0.000 1.135 398 G CA 0.065 45.145 45.100 -0.033 0.000 0.975 398 G HN 0.375 nan 8.290 nan 0.000 0.511 399 V N -1.627 118.274 119.914 -0.022 0.000 3.204 399 V HA 1.117 5.236 4.120 -0.000 0.000 0.308 399 V C 0.641 176.733 176.094 -0.003 0.000 1.324 399 V CA -0.006 62.287 62.300 -0.011 0.000 1.042 399 V CB 1.688 33.502 31.823 -0.014 0.000 1.167 399 V HN 1.793 nan 8.190 nan 0.000 0.478 400 G N -1.717 107.089 108.800 0.009 0.000 2.694 400 G HA2 0.641 4.601 3.960 -0.000 0.000 0.290 400 G HA3 0.641 4.601 3.960 -0.000 0.000 0.290 400 G C -2.343 172.584 174.900 0.044 0.000 1.386 400 G CA -0.794 44.321 45.100 0.025 0.000 0.872 400 G HN 0.572 nan 8.290 nan 0.000 0.475 401 P HA -0.253 nan 4.420 nan 0.000 0.222 401 P C 1.483 178.957 177.300 0.291 0.000 1.157 401 P CA 1.940 65.122 63.100 0.136 0.000 0.905 401 P CB 0.138 31.950 31.700 0.188 0.000 0.792 402 E N -0.024 120.294 120.200 0.197 0.000 2.338 402 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 402 E C 1.840 178.593 176.600 0.255 0.000 1.007 402 E CA 1.302 57.819 56.400 0.195 0.000 0.849 402 E CB -1.057 28.637 29.700 -0.009 0.000 0.774 402 E HN 0.252 nan 8.360 nan 0.000 0.506 403 A N 1.292 124.206 122.820 0.157 0.000 2.119 403 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 403 A C 2.245 179.871 177.584 0.071 0.000 1.152 403 A CA 0.223 52.318 52.037 0.096 0.000 0.708 403 A CB -0.425 18.599 19.000 0.040 0.000 0.805 403 A HN 0.205 nan 8.150 nan 0.000 0.460 404 L N -1.916 119.349 121.223 0.069 0.000 2.313 404 L HA -0.009 4.330 4.340 -0.000 0.000 0.214 404 L C 1.563 178.283 176.870 -0.251 0.000 1.119 404 L CA 0.612 55.369 54.840 -0.139 0.000 0.809 404 L CB -0.329 41.573 42.059 -0.262 0.000 0.933 404 L HN 0.396 nan 8.230 nan 0.000 0.449 405 F N 0.024 119.946 119.950 -0.046 0.000 2.699 405 F HA -0.062 4.465 4.527 -0.000 0.000 0.298 405 F C 1.858 177.659 175.800 0.002 0.000 1.154 405 F CA 0.021 58.014 58.000 -0.012 0.000 1.457 405 F CB -0.442 38.599 39.000 0.067 0.000 1.106 405 F HN 0.068 nan 8.300 nan 0.000 0.585 406 S N -1.853 113.911 115.700 0.107 0.000 2.713 406 S HA 0.145 4.615 4.470 -0.000 0.000 0.277 406 S C 1.356 175.996 174.600 0.067 0.000 1.168 406 S CA -0.356 57.911 58.200 0.111 0.000 0.994 406 S CB 1.046 64.320 63.200 0.123 0.000 1.054 406 S HN 0.030 nan 8.310 nan 0.000 0.555 407 T N 0.756 115.412 114.554 0.170 0.000 2.929 407 T HA 0.015 4.364 4.350 -0.000 0.000 0.271 407 T C 1.438 176.220 174.700 0.136 0.000 1.085 407 T CA 0.744 62.959 62.100 0.191 0.000 1.125 407 T CB -0.490 68.628 68.868 0.416 0.000 0.874 407 T HN 0.456 nan 8.240 nan 0.000 0.494 408 L N 0.191 121.498 121.223 0.139 0.000 2.131 408 L HA 0.073 4.413 4.340 -0.000 0.000 0.206 408 L C 2.606 179.437 176.870 -0.064 0.000 1.087 408 L CA 1.216 56.074 54.840 0.031 0.000 0.767 408 L CB -0.920 41.191 42.059 0.086 0.000 0.917 408 L HN 0.346 nan 8.230 nan 0.000 0.441 409 G N -0.113 108.648 108.800 -0.066 0.000 2.575 409 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.215 409 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.215 409 G C 1.520 176.299 174.900 -0.201 0.000 1.262 409 G CA 0.886 45.891 45.100 -0.159 0.000 0.807 409 G HN 0.250 nan 8.290 nan 0.000 0.567 410 R N -0.255 120.114 120.500 -0.218 0.000 2.190 410 R HA -0.182 4.158 4.340 -0.000 0.000 0.255 410 R C 2.607 178.804 176.300 -0.170 0.000 1.143 410 R CA 2.646 58.594 56.100 -0.253 0.000 0.965 410 R CB -0.950 29.172 30.300 -0.296 0.000 0.889 410 R HN 0.391 nan 8.270 nan 0.000 0.448 411 T N -0.075 114.417 114.554 -0.102 0.000 2.701 411 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 411 T C 1.785 176.404 174.700 -0.134 0.000 1.040 411 T CA 1.347 63.403 62.100 -0.072 0.000 1.147 411 T CB -0.500 68.298 68.868 -0.118 0.000 0.865 411 T HN 0.511 nan 8.240 nan 0.000 0.426 412 A N 1.816 124.529 122.820 -0.178 0.000 1.851 412 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 412 A C 2.694 180.159 177.584 -0.199 0.000 1.195 412 A CA 2.212 54.124 52.037 -0.208 0.000 0.622 412 A CB -1.417 17.464 19.000 -0.197 0.000 0.831 412 A HN 0.512 nan 8.150 nan 0.000 0.444 413 A N 0.179 122.881 122.820 -0.196 0.000 1.940 413 A HA -0.317 4.003 4.320 -0.000 0.000 0.221 413 A C 2.230 179.731 177.584 -0.137 0.000 1.190 413 A CA 2.573 54.497 52.037 -0.187 0.000 0.647 413 A CB -0.654 18.207 19.000 -0.232 0.000 0.821 413 A HN 0.694 nan 8.150 nan 0.000 0.457 414 R N -0.460 119.958 120.500 -0.137 0.000 2.193 414 R HA -0.052 4.287 4.340 -0.000 0.000 0.229 414 R C 2.024 178.332 176.300 0.013 0.000 1.110 414 R CA 1.664 57.688 56.100 -0.127 0.000 0.988 414 R CB -0.709 29.444 30.300 -0.245 0.000 0.871 414 R HN 0.410 nan 8.270 nan 0.000 0.458 415 G N 0.859 109.610 108.800 -0.082 0.000 2.395 415 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.214 415 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.214 415 G C 1.432 176.234 174.900 -0.164 0.000 1.177 415 G CA 0.517 45.441 45.100 -0.294 0.000 0.794 415 G HN 0.271 nan 8.290 nan 0.000 0.532 416 I N 0.205 120.696 120.570 -0.132 0.000 2.208 416 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 416 I C 2.923 179.062 176.117 0.036 0.000 1.097 416 I CA 1.471 62.729 61.300 -0.070 0.000 1.363 416 I CB -0.039 37.904 38.000 -0.095 0.000 1.051 416 I HN 0.252 nan 8.210 nan 0.000 0.413 417 Q N -0.350 119.500 119.800 0.084 0.000 2.124 417 Q HA -0.294 4.046 4.340 -0.000 0.000 0.202 417 Q C 2.409 178.591 176.000 0.304 0.000 0.977 417 Q CA 1.894 57.808 55.803 0.186 0.000 0.850 417 Q CB -0.204 28.647 28.738 0.189 0.000 0.901 417 Q HN 0.665 nan 8.270 nan 0.000 0.429 418 C N -0.183 119.301 119.300 0.308 0.000 2.500 418 C HA 0.036 4.496 4.460 -0.000 0.000 0.273 418 C C 2.140 177.265 174.990 0.225 0.000 1.428 418 C CA 0.027 59.244 59.018 0.330 0.000 1.766 418 C CB -0.820 27.196 27.740 0.461 0.000 1.817 418 C HN 0.571 nan 8.230 nan 0.000 0.543 419 L N 1.338 122.650 121.223 0.149 0.000 2.262 419 L HA 0.228 4.568 4.340 -0.000 0.000 0.197 419 L C 2.295 179.237 176.870 0.120 0.000 1.073 419 L CA 2.332 57.222 54.840 0.083 0.000 0.800 419 L CB -1.086 40.977 42.059 0.008 0.000 0.987 419 L HN 0.435 nan 8.230 nan 0.000 0.470 420 T N -1.935 112.713 114.554 0.156 0.000 4.320 420 T HA 0.513 4.863 4.350 -0.000 0.000 0.221 420 T C 0.509 175.405 174.700 0.326 0.000 0.896 420 T CA 0.440 62.678 62.100 0.231 0.000 0.928 420 T CB -0.226 68.730 68.868 0.146 0.000 1.369 420 T HN 0.418 nan 8.240 nan 0.000 0.836 421 A N 0.496 123.431 122.820 0.191 0.000 1.608 421 A HA 0.607 4.927 4.320 -0.000 0.000 0.188 421 A C 1.888 179.473 177.584 0.003 0.000 2.043 421 A CA 0.462 52.541 52.037 0.069 0.000 1.646 421 A CB -1.125 18.027 19.000 0.254 0.000 1.588 421 A HN 0.862 nan 8.150 nan 0.000 0.277 422 A N -0.234 122.650 122.820 0.106 0.000 1.969 422 A HA 0.188 4.508 4.320 -0.000 0.000 0.218 422 A C 2.271 179.932 177.584 0.129 0.000 1.169 422 A CA 2.885 55.011 52.037 0.149 0.000 0.635 422 A CB -0.926 18.134 19.000 0.100 0.000 0.810 422 A HN 1.281 nan 8.150 nan 0.000 0.445 423 Q N -0.279 119.529 119.800 0.013 0.000 1.941 423 Q HA -0.176 4.163 4.340 -0.000 0.000 0.201 423 Q C 1.952 177.811 176.000 -0.235 0.000 0.982 423 Q CA 2.039 57.816 55.803 -0.045 0.000 0.839 423 Q CB -0.966 nan 28.738 nan 0.000 0.904 423 Q HN 0.658 nan 8.270 nan 0.000 0.427 424 E N 0.246 120.146 120.200 -0.501 0.000 2.108 424 E HA -0.158 4.192 4.350 -0.000 0.000 0.203 424 E C 1.886 177.642 176.600 -1.406 0.000 1.022 424 E CA 1.512 57.230 56.400 -1.137 0.000 0.823 424 E CB -0.753 27.842 29.700 -1.840 0.000 0.744 424 E HN 0.395 nan 8.360 nan 0.000 0.456 425 V N 0.655 119.993 119.914 -0.959 0.000 2.418 425 V HA -0.350 3.770 4.120 -0.000 0.000 0.258 425 V C 2.370 178.165 176.094 -0.499 0.000 1.088 425 V CA 2.323 64.347 62.300 -0.460 0.000 1.091 425 V CB -0.674 31.130 31.823 -0.032 0.000 0.669 425 V HN 0.381 nan 8.190 nan 0.000 0.461 426 E N -0.069 119.847 120.200 -0.474 0.000 2.097 426 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 426 E C 1.979 178.386 176.600 -0.320 0.000 1.000 426 E CA 1.933 58.136 56.400 -0.329 0.000 0.804 426 E CB -0.260 29.362 29.700 -0.130 0.000 0.740 426 E HN 0.414 nan 8.360 nan 0.000 0.454 427 V N -0.226 119.389 119.914 -0.498 0.000 2.323 427 V HA -0.179 3.940 4.120 -0.000 0.000 0.244 427 V C 1.997 177.956 176.094 -0.224 0.000 1.041 427 V CA 1.635 63.698 62.300 -0.395 0.000 1.025 427 V CB -0.670 30.793 31.823 -0.600 0.000 0.656 427 V HN 0.428 nan 8.190 nan 0.000 0.451 428 W N -0.202 120.970 121.300 -0.212 0.000 2.358 428 W HA -0.154 4.506 4.660 -0.000 0.000 0.303 428 W C 2.332 178.709 176.519 -0.236 0.000 1.208 428 W CA 1.247 58.461 57.345 -0.218 0.000 1.274 428 W CB -1.411 27.898 29.460 -0.252 0.000 1.138 428 W HN 0.300 nan 8.180 nan 0.000 0.515 429 L N 1.344 122.545 121.223 -0.036 0.000 1.994 429 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 429 L C 1.813 178.633 176.870 -0.083 0.000 1.071 429 L CA 2.388 57.144 54.840 -0.141 0.000 0.745 429 L CB -1.278 40.669 42.059 -0.186 0.000 0.892 429 L HN -0.259 nan 8.230 nan 0.000 0.431 430 D N 0.084 120.441 120.400 -0.072 0.000 2.108 430 D HA -0.252 4.388 4.640 -0.000 0.000 0.190 430 D C 2.179 178.459 176.300 -0.034 0.000 0.995 430 D CA 1.846 55.817 54.000 -0.047 0.000 0.834 430 D CB -0.262 40.505 40.800 -0.056 0.000 0.967 430 D HN 0.350 nan 8.370 nan 0.000 0.446 431 K N -0.122 120.262 120.400 -0.027 0.000 2.077 431 K HA -0.219 4.101 4.320 -0.000 0.000 0.213 431 K C 2.207 178.792 176.600 -0.024 0.000 1.051 431 K CA 1.103 57.384 56.287 -0.011 0.000 0.929 431 K CB -0.417 32.096 32.500 0.022 0.000 0.715 431 K HN 0.070 nan 8.250 nan 0.000 0.451 432 L N 1.357 122.552 121.223 -0.047 0.000 1.994 432 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 432 L C 2.249 179.095 176.870 -0.040 0.000 1.071 432 L CA 1.882 56.680 54.840 -0.071 0.000 0.745 432 L CB -0.371 41.600 42.059 -0.146 0.000 0.892 432 L HN 0.239 nan 8.230 nan 0.000 0.431 433 E N -0.685 119.497 120.200 -0.031 0.000 2.265 433 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 433 E C 1.915 178.514 176.600 -0.002 0.000 0.996 433 E CA 0.811 57.207 56.400 -0.006 0.000 0.832 433 E CB -0.049 29.652 29.700 0.002 0.000 0.756 433 E HN 0.688 nan 8.360 nan 0.000 0.491 434 A N 2.051 124.866 122.820 -0.008 0.000 1.821 434 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 434 A C 1.807 179.391 177.584 0.000 0.000 1.214 434 A CA 1.638 53.673 52.037 -0.003 0.000 0.608 434 A CB -0.787 18.209 19.000 -0.006 0.000 0.862 434 A HN 0.344 nan 8.150 nan 0.000 0.448 435 N N 0.581 119.279 118.700 -0.003 0.000 2.192 435 N HA -0.151 4.588 4.740 -0.000 0.000 0.188 435 N C 1.665 177.181 175.510 0.010 0.000 1.013 435 N CA 1.698 54.749 53.050 0.002 0.000 0.863 435 N CB -0.907 37.578 38.487 -0.003 0.000 0.990 435 N HN 0.290 nan 8.380 nan 0.000 0.430 436 V N 1.413 121.333 119.914 0.010 0.000 2.261 436 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 436 V C 2.585 178.693 176.094 0.023 0.000 1.047 436 V CA 1.727 64.041 62.300 0.023 0.000 1.015 436 V CB -0.637 31.202 31.823 0.028 0.000 0.642 436 V HN 0.252 nan 8.190 nan 0.000 0.446 437 K N -0.515 119.895 120.400 0.017 0.000 2.103 437 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 437 K C 2.341 178.950 176.600 0.014 0.000 1.048 437 K CA 1.301 57.598 56.287 0.016 0.000 0.930 437 K CB -0.998 31.509 32.500 0.012 0.000 0.716 437 K HN 0.666 nan 8.250 nan 0.000 0.444 438 A N -0.912 121.916 122.820 0.013 0.000 1.859 438 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 438 A C 1.904 179.497 177.584 0.015 0.000 1.198 438 A CA 2.116 54.160 52.037 0.012 0.000 0.629 438 A CB -0.722 18.284 19.000 0.010 0.000 0.830 438 A HN 1.151 nan 8.150 nan 0.000 0.446 439 G N -2.958 105.853 108.800 0.019 0.000 2.157 439 G HA2 0.072 4.032 3.960 -0.000 0.000 0.114 439 G HA3 0.072 4.032 3.960 -0.000 0.000 0.114 439 G C -0.222 174.695 174.900 0.028 0.000 1.041 439 G CA 0.210 45.324 45.100 0.023 0.000 0.714 439 G HN 0.912 nan 8.290 nan 0.000 0.492 440 K N 0.758 121.175 120.400 0.029 0.000 2.293 440 K HA 0.644 4.964 4.320 -0.000 0.000 0.267 440 K C -0.276 176.352 176.600 0.047 0.000 1.010 440 K CA -0.282 56.025 56.287 0.034 0.000 0.875 440 K CB 1.531 34.043 32.500 0.021 0.000 1.106 440 K HN 0.508 nan 8.250 nan 0.000 0.450 441 D N -1.307 119.138 120.400 0.075 0.000 2.720 441 D HA 0.061 4.701 4.640 -0.000 0.000 0.285 441 D C -0.845 175.553 176.300 0.163 0.000 1.359 441 D CA -0.531 53.541 54.000 0.119 0.000 0.818 441 D CB 0.089 40.986 40.800 0.161 0.000 1.108 441 D HN 0.351 nan 8.370 nan 0.000 0.474 442 D N 1.318 121.777 120.400 0.098 0.000 2.346 442 D HA 0.237 4.876 4.640 -0.000 0.000 0.260 442 D C 0.102 176.420 176.300 0.029 0.000 1.252 442 D CA 0.173 54.233 54.000 0.099 0.000 0.895 442 D CB 1.144 41.982 40.800 0.063 0.000 1.097 442 D HN 0.312 nan 8.370 nan 0.000 0.489 443 L N 2.620 123.860 121.223 0.028 0.000 2.381 443 L HA 0.473 4.812 4.340 -0.000 0.000 0.268 443 L C -0.670 176.255 176.870 0.093 0.000 0.997 443 L CA -1.267 53.508 54.840 -0.108 0.000 0.818 443 L CB 1.564 43.388 42.059 -0.392 0.000 1.310 443 L HN 0.297 nan 8.230 nan 0.000 0.416 444 Y N 0.669 120.937 120.300 -0.054 0.000 2.561 444 Y HA -0.230 4.320 4.550 -0.000 0.000 0.022 444 Y C -1.053 174.885 175.900 0.064 0.000 1.761 444 Y CA 0.359 58.476 58.100 0.028 0.000 1.381 444 Y CB -0.241 38.267 38.460 0.079 0.000 2.030 444 Y HN 0.771 nan 8.280 nan 0.000 0.262 445 T N 6.552 120.633 114.554 -0.789 0.000 2.876 445 T HA 0.331 4.681 4.350 -0.000 0.000 0.289 445 T C -1.127 173.309 174.700 -0.441 0.000 1.014 445 T CA -0.614 61.261 62.100 -0.374 0.000 0.986 445 T CB 1.659 70.410 68.868 -0.195 0.000 1.021 445 T HN 0.537 nan 8.240 nan 0.000 0.458 446 D N 2.398 122.782 120.400 -0.025 0.000 2.389 446 D HA 0.403 5.043 4.640 -0.000 0.000 0.247 446 D C -0.363 175.988 176.300 0.084 0.000 1.128 446 D CA -0.058 53.989 54.000 0.079 0.000 0.884 446 D CB 0.607 41.461 40.800 0.090 0.000 1.194 446 D HN 0.462 nan 8.370 nan 0.000 0.441 447 W N 1.514 122.793 121.300 -0.035 0.000 3.003 447 W HA 0.610 5.270 4.660 -0.000 0.000 0.362 447 W C -1.626 174.847 176.519 -0.077 0.000 1.213 447 W CA -0.867 56.429 57.345 -0.081 0.000 1.157 447 W CB 0.773 30.151 29.460 -0.138 0.000 1.493 447 W HN 0.236 nan 8.180 nan 0.000 0.589 448 Q N 0.092 120.102 119.800 0.349 0.000 2.391 448 Q HA 0.271 4.611 4.340 -0.000 0.000 0.279 448 Q C -1.919 174.275 176.000 0.324 0.000 1.028 448 Q CA -0.886 55.017 55.803 0.167 0.000 0.836 448 Q CB 3.175 31.958 28.738 0.074 0.000 1.414 448 Q HN 0.313 nan 8.270 nan 0.000 0.397 449 Y N 1.769 122.284 120.300 0.358 0.000 2.480 449 Y HA 0.240 4.789 4.550 -0.000 0.000 0.341 449 Y C -1.828 174.163 175.900 0.151 0.000 1.031 449 Y CA -1.669 56.600 58.100 0.283 0.000 1.295 449 Y CB 0.094 38.699 38.460 0.240 0.000 1.162 449 Y HN 0.370 nan 8.280 nan 0.000 0.523 450 P HA 0.074 nan 4.420 nan 0.000 0.272 450 P C 0.901 178.293 177.300 0.154 0.000 1.223 450 P CA -0.139 63.066 63.100 0.174 0.000 0.784 450 P CB 0.701 32.478 31.700 0.129 0.000 0.923 451 T N -0.552 114.060 114.554 0.097 0.000 2.649 451 T HA -0.233 4.116 4.350 -0.000 0.000 0.268 451 T C 0.347 175.074 174.700 0.045 0.000 1.036 451 T CA 1.538 63.676 62.100 0.062 0.000 1.157 451 T CB -0.805 68.087 68.868 0.040 0.000 0.861 451 T HN 0.742 nan 8.240 nan 0.000 0.445 452 E N -0.114 120.114 120.200 0.047 0.000 2.380 452 E HA 0.599 4.949 4.350 -0.000 0.000 0.281 452 E C -1.352 175.267 176.600 0.032 0.000 0.999 452 E CA -1.056 55.361 56.400 0.028 0.000 0.800 452 E CB 1.860 31.561 29.700 0.002 0.000 1.228 452 E HN 0.296 nan 8.360 nan 0.000 0.436 453 S N 1.064 116.778 115.700 0.025 0.000 2.643 453 S HA 0.515 4.985 4.470 -0.000 0.000 0.270 453 S C -1.032 173.551 174.600 -0.028 0.000 1.166 453 S CA -1.118 57.088 58.200 0.010 0.000 0.815 453 S CB 1.667 64.895 63.200 0.047 0.000 1.139 453 S HN 0.593 nan 8.310 nan 0.000 0.472 454 Q N -0.919 118.846 119.800 -0.058 0.000 2.348 454 Q HA 0.752 5.092 4.340 -0.000 0.000 0.271 454 Q C -0.578 175.418 176.000 -0.007 0.000 1.067 454 Q CA -0.653 55.078 55.803 -0.121 0.000 0.839 454 Q CB 2.255 30.777 28.738 -0.360 0.000 1.354 454 Q HN 1.090 nan 8.270 nan 0.000 0.447 455 G N -0.088 108.755 108.800 0.072 0.000 2.718 455 G HA2 0.592 4.552 3.960 -0.000 0.000 0.295 455 G HA3 0.592 4.552 3.960 -0.000 0.000 0.295 455 G C -1.997 172.905 174.900 0.005 0.000 1.421 455 G CA -0.430 44.685 45.100 0.024 0.000 0.902 455 G HN 0.538 nan 8.290 nan 0.000 0.501 456 V N 0.244 120.005 119.914 -0.256 0.000 2.752 456 V HA 0.899 5.019 4.120 -0.000 0.000 0.302 456 V C -0.439 175.126 176.094 -0.882 0.000 1.133 456 V CA 0.310 62.174 62.300 -0.727 0.000 0.919 456 V CB 1.680 32.870 31.823 -1.056 0.000 1.026 456 V HN 1.633 nan 8.190 nan 0.000 0.429 457 G N 5.506 113.717 108.800 -0.981 0.000 2.609 457 G HA2 0.704 4.664 3.960 -0.000 0.000 0.308 457 G HA3 0.704 4.664 3.960 -0.000 0.000 0.308 457 G C -1.496 172.886 174.900 -0.865 0.000 1.369 457 G CA -0.523 44.112 45.100 -0.774 0.000 0.958 457 G HN 0.612 nan 8.290 nan 0.000 0.499 458 F N 1.942 121.695 119.950 -0.328 0.000 2.411 458 F HA 0.546 5.073 4.527 -0.000 0.000 0.352 458 F C 0.230 175.875 175.800 -0.259 0.000 1.123 458 F CA -0.914 56.927 58.000 -0.266 0.000 1.044 458 F CB 2.211 41.088 39.000 -0.204 0.000 1.135 458 F HN 0.172 nan 8.300 nan 0.000 0.461 459 V N 3.113 122.976 119.914 -0.086 0.000 2.628 459 V HA 0.327 4.446 4.120 -0.000 0.000 0.306 459 V C -0.330 175.699 176.094 -0.109 0.000 1.045 459 V CA -1.030 61.178 62.300 -0.153 0.000 0.905 459 V CB 2.049 33.740 31.823 -0.220 0.000 0.997 459 V HN 0.768 nan 8.190 nan 0.000 0.436 460 N N 2.860 121.482 118.700 -0.130 0.000 2.955 460 N HA 0.437 5.176 4.740 -0.000 0.000 0.242 460 N C 0.036 175.556 175.510 0.018 0.000 1.123 460 N CA -0.246 52.752 53.050 -0.087 0.000 0.949 460 N CB 1.098 39.518 38.487 -0.112 0.000 1.214 460 N HN 0.886 nan 8.380 nan 0.000 0.504 461 A N 3.011 125.828 122.820 -0.004 0.000 2.448 461 A HA 0.207 4.527 4.320 -0.000 0.000 0.239 461 A C -1.284 176.294 177.584 -0.009 0.000 1.080 461 A CA -0.830 51.226 52.037 0.031 0.000 0.779 461 A CB -0.040 18.941 19.000 -0.032 0.000 1.026 461 A HN 0.448 nan 8.150 nan 0.000 0.499 462 P HA -0.108 nan 4.420 nan 0.000 0.227 462 P C 0.646 177.938 177.300 -0.013 0.000 1.145 462 P CA 1.370 64.323 63.100 -0.245 0.000 0.769 462 P CB 0.078 31.690 31.700 -0.147 0.000 0.769 463 R N -2.115 118.385 120.500 -0.000 0.000 2.535 463 R HA 0.462 4.802 4.340 -0.000 0.000 0.323 463 R C 0.761 177.073 176.300 0.020 0.000 0.979 463 R CA 0.305 56.419 56.100 0.023 0.000 1.120 463 R CB 0.979 31.318 30.300 0.066 0.000 1.306 463 R HN 0.154 nan 8.270 nan 0.000 0.540 464 G N 0.460 109.251 108.800 -0.016 0.000 2.331 464 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.479 464 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.479 464 G C -0.935 173.928 174.900 -0.061 0.000 1.262 464 G CA -0.841 44.229 45.100 -0.051 0.000 1.029 464 G HN 0.018 nan 8.290 nan 0.000 0.487 465 M N 1.037 120.551 119.600 -0.143 0.000 2.842 465 M HA 0.252 4.731 4.480 -0.000 0.000 0.314 465 M C -0.282 176.032 176.300 0.024 0.000 1.646 465 M CA -0.055 55.143 55.300 -0.170 0.000 1.484 465 M CB -0.884 31.460 32.600 -0.427 0.000 1.727 465 M HN 0.610 nan 8.290 nan 0.000 0.468 466 L N 5.658 126.912 121.223 0.052 0.000 2.307 466 L HA 0.526 4.866 4.340 -0.000 0.000 0.282 466 L C -0.457 176.508 176.870 0.158 0.000 1.051 466 L CA 0.196 55.120 54.840 0.140 0.000 0.804 466 L CB 1.691 43.752 42.059 0.003 0.000 1.197 466 L HN 0.657 nan 8.230 nan 0.000 0.431 467 S N 3.854 119.721 115.700 0.278 0.000 2.720 467 S HA 0.495 4.965 4.470 -0.000 0.000 0.278 467 S C -0.948 173.750 174.600 0.163 0.000 1.172 467 S CA -0.702 57.530 58.200 0.052 0.000 1.019 467 S CB 0.272 63.584 63.200 0.188 0.000 1.049 467 S HN 0.804 nan 8.310 nan 0.000 0.483 468 H N 2.080 120.959 119.070 -0.320 0.000 2.487 468 H HA 0.459 5.015 4.556 -0.000 0.000 0.333 468 H C -1.255 173.716 175.328 -0.594 0.000 1.114 468 H CA -0.643 55.233 56.048 -0.288 0.000 1.310 468 H CB 0.957 30.531 29.762 -0.313 0.000 1.462 468 H HN 0.629 nan 8.280 nan 0.000 0.516 469 W N 3.658 124.598 121.300 -0.600 0.000 2.802 469 W HA 0.324 4.983 4.660 -0.000 0.000 0.331 469 W C -0.963 175.294 176.519 -0.437 0.000 1.021 469 W CA -0.594 56.477 57.345 -0.456 0.000 1.259 469 W CB 0.479 29.703 29.460 -0.394 0.000 1.323 469 W HN 0.343 nan 8.180 nan 0.000 0.432 470 I N 3.352 123.837 120.570 -0.140 0.000 2.359 470 I HA 0.682 4.852 4.170 -0.000 0.000 0.294 470 I C -1.007 175.150 176.117 0.066 0.000 0.987 470 I CA -0.808 60.444 61.300 -0.080 0.000 1.225 470 I CB 1.054 38.983 38.000 -0.119 0.000 1.366 470 I HN 0.137 nan 8.210 nan 0.000 0.466 471 V N 7.658 127.606 119.914 0.057 0.000 2.325 471 V HA 0.365 4.485 4.120 -0.000 0.000 0.280 471 V C -0.593 175.513 176.094 0.019 0.000 1.016 471 V CA -0.503 61.799 62.300 0.004 0.000 0.818 471 V CB 1.208 33.020 31.823 -0.019 0.000 1.019 471 V HN 0.815 nan 8.190 nan 0.000 0.434 472 Q N 4.071 123.878 119.800 0.013 0.000 2.306 472 Q HA 0.830 5.169 4.340 -0.000 0.000 0.265 472 Q C -0.607 175.381 176.000 -0.020 0.000 1.022 472 Q CA -0.872 54.934 55.803 0.004 0.000 0.853 472 Q CB 2.234 30.987 28.738 0.024 0.000 1.327 472 Q HN 0.484 nan 8.270 nan 0.000 0.449 473 R N 1.638 122.110 120.500 -0.046 0.000 2.473 473 R HA 0.534 4.874 4.340 -0.000 0.000 0.303 473 R C -0.131 176.120 176.300 -0.082 0.000 1.002 473 R CA 0.341 56.413 56.100 -0.045 0.000 0.884 473 R CB 0.774 31.056 30.300 -0.030 0.000 1.173 473 R HN 1.111 nan 8.270 nan 0.000 0.464 474 G N 2.403 111.151 108.800 -0.086 0.000 2.273 474 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.280 474 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.280 474 G C 0.815 175.560 174.900 -0.258 0.000 1.047 474 G CA 0.655 45.688 45.100 -0.110 0.000 0.869 474 G HN 1.683 nan 8.290 nan 0.000 0.502 475 G N -1.076 107.374 108.800 -0.584 0.000 2.147 475 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.244 475 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.244 475 G C 0.194 174.812 174.900 -0.471 0.000 1.005 475 G CA 1.357 45.779 45.100 -1.131 0.000 0.713 475 G HN 2.039 nan 8.290 nan 0.000 0.515 476 K N -0.270 119.970 120.400 -0.268 0.000 2.468 476 K HA 0.718 5.038 4.320 -0.000 0.000 0.252 476 K C -0.071 176.492 176.600 -0.061 0.000 0.932 476 K CA -1.454 54.768 56.287 -0.109 0.000 0.794 476 K CB 1.908 34.367 32.500 -0.069 0.000 1.241 476 K HN 0.093 nan 8.250 nan 0.000 0.428 477 I N 3.368 123.933 120.570 -0.008 0.000 2.587 477 I HA -0.050 4.120 4.170 -0.000 0.000 0.284 477 I C 0.933 177.063 176.117 0.021 0.000 1.134 477 I CA 0.089 61.411 61.300 0.037 0.000 1.410 477 I CB 0.558 38.598 38.000 0.066 0.000 1.392 477 I HN 0.721 nan 8.210 nan 0.000 0.545 478 E N 4.779 124.996 120.200 0.029 0.000 2.460 478 E HA 0.140 4.490 4.350 -0.000 0.000 0.200 478 E C -0.149 176.472 176.600 0.036 0.000 1.011 478 E CA 0.202 56.613 56.400 0.018 0.000 0.912 478 E CB 0.441 30.143 29.700 0.003 0.000 0.953 478 E HN 0.732 nan 8.360 nan 0.000 0.494 479 N N -0.416 118.327 118.700 0.072 0.000 5.121 479 N HA -0.011 4.729 4.740 -0.000 0.000 0.158 479 N C -2.052 173.558 175.510 0.167 0.000 1.033 479 N CA -0.198 52.909 53.050 0.096 0.000 1.122 479 N CB 0.473 38.996 38.487 0.061 0.000 1.541 479 N HN -0.129 nan 8.380 nan 0.000 0.993 480 F N 3.710 123.669 119.950 0.015 0.000 2.660 480 F HA 0.446 4.973 4.527 -0.000 0.000 0.352 480 F C -0.508 175.303 175.800 0.019 0.000 1.257 480 F CA -0.185 57.817 58.000 0.003 0.000 1.200 480 F CB 0.724 39.688 39.000 -0.059 0.000 1.473 480 F HN 0.481 nan 8.300 nan 0.000 0.561 481 Q N 3.140 123.088 119.800 0.247 0.000 2.227 481 Q HA 0.489 4.828 4.340 -0.000 0.000 0.245 481 Q C -1.040 175.124 176.000 0.274 0.000 0.926 481 Q CA -0.374 55.569 55.803 0.234 0.000 0.895 481 Q CB 1.190 29.950 28.738 0.036 0.000 1.230 481 Q HN 0.752 nan 8.270 nan 0.000 0.450 482 H N -1.240 117.798 119.070 -0.053 0.000 2.894 482 H HA 0.645 5.200 4.556 -0.000 0.000 0.367 482 H C -1.274 174.034 175.328 -0.034 0.000 1.144 482 H CA -1.525 54.501 56.048 -0.036 0.000 1.180 482 H CB 1.088 30.724 29.762 -0.210 0.000 1.758 482 H HN 0.391 nan 8.280 nan 0.000 0.541 483 V N 1.499 121.592 119.914 0.299 0.000 2.417 483 V HA 0.701 4.821 4.120 -0.000 0.000 0.291 483 V C -0.777 175.589 176.094 0.454 0.000 1.024 483 V CA -0.557 61.933 62.300 0.316 0.000 0.861 483 V CB 0.970 32.957 31.823 0.274 0.000 0.985 483 V HN 0.644 nan 8.190 nan 0.000 0.436 484 V N 5.465 125.655 119.914 0.460 0.000 2.715 484 V HA 0.519 4.638 4.120 -0.000 0.000 0.310 484 V C -1.486 174.909 176.094 0.502 0.000 1.054 484 V CA -1.901 60.686 62.300 0.478 0.000 0.928 484 V CB 1.497 33.631 31.823 0.518 0.000 1.007 484 V HN 0.618 nan 8.190 nan 0.000 0.437 485 P HA -0.254 nan 4.420 nan 0.000 0.218 485 P C 1.788 179.333 177.300 0.409 0.000 1.132 485 P CA 2.252 65.575 63.100 0.373 0.000 0.968 485 P CB 0.027 31.845 31.700 0.197 0.000 0.783 486 S N -1.578 114.303 115.700 0.303 0.000 2.440 486 S HA -0.142 4.328 4.470 -0.000 0.000 0.240 486 S C 1.718 176.458 174.600 0.234 0.000 1.014 486 S CA 1.774 60.121 58.200 0.245 0.000 0.980 486 S CB -1.269 62.055 63.200 0.207 0.000 0.775 486 S HN 0.368 nan 8.310 nan 0.000 0.499 487 T N 0.314 115.029 114.554 0.269 0.000 2.915 487 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 487 T C 1.201 175.972 174.700 0.120 0.000 1.071 487 T CA 0.897 63.088 62.100 0.152 0.000 1.132 487 T CB -0.204 68.734 68.868 0.118 0.000 0.878 487 T HN 0.564 nan 8.240 nan 0.000 0.479 488 W N 1.802 123.186 121.300 0.141 0.000 2.519 488 W HA 0.146 4.806 4.660 -0.000 0.000 0.313 488 W C 2.359 178.942 176.519 0.106 0.000 1.156 488 W CA 0.019 57.451 57.345 0.146 0.000 1.394 488 W CB -0.828 28.735 29.460 0.173 0.000 1.154 488 W HN 0.067 nan 8.180 nan 0.000 0.498 489 N N 0.560 119.464 118.700 0.340 0.000 2.018 489 N HA -0.107 4.633 4.740 -0.000 0.000 0.196 489 N C 0.573 176.041 175.510 -0.071 0.000 1.043 489 N CA 1.320 54.437 53.050 0.112 0.000 0.856 489 N CB -1.098 37.481 38.487 0.154 0.000 1.042 489 N HN 0.014 nan 8.380 nan 0.000 0.423 490 L N -1.732 119.491 121.223 -0.000 0.000 2.376 490 L HA 0.674 5.014 4.340 -0.000 0.000 0.267 490 L C 0.752 177.642 176.870 0.033 0.000 1.035 490 L CA -0.582 54.251 54.840 -0.013 0.000 0.800 490 L CB 1.038 43.108 42.059 0.017 0.000 1.290 490 L HN 0.303 nan 8.230 nan 0.000 0.462 491 G N -0.375 108.439 108.800 0.023 0.000 2.674 491 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.686 491 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.686 491 G C -2.953 171.911 174.900 -0.060 0.000 1.195 491 G CA -0.970 44.115 45.100 -0.024 0.000 0.776 491 G HN 0.458 nan 8.290 nan 0.000 0.654 492 P HA 0.056 nan 4.420 nan 0.000 0.277 492 P C 0.319 177.606 177.300 -0.021 0.000 1.269 492 P CA 0.250 63.187 63.100 -0.272 0.000 0.840 492 P CB 0.449 31.826 31.700 -0.538 0.000 1.156 493 R N -1.203 119.359 120.500 0.103 0.000 2.549 493 R HA 0.407 4.746 4.340 -0.000 0.000 0.267 493 R C 0.529 176.855 176.300 0.043 0.000 1.045 493 R CA -0.712 55.472 56.100 0.139 0.000 1.115 493 R CB 0.139 30.597 30.300 0.264 0.000 1.121 493 R HN 0.602 nan 8.270 nan 0.000 0.543 494 C N -1.188 118.058 119.300 -0.090 0.000 2.551 494 C HA 0.642 5.102 4.460 -0.000 0.000 0.377 494 C C 1.997 176.811 174.990 -0.292 0.000 1.622 494 C CA -0.270 58.536 59.018 -0.353 0.000 1.980 494 C CB 0.118 27.402 27.740 -0.760 0.000 1.946 494 C HN 0.896 nan 8.230 nan 0.000 0.525 495 A N -0.561 122.056 122.820 -0.339 0.000 1.972 495 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 495 A C 1.743 179.247 177.584 -0.133 0.000 1.169 495 A CA 1.788 53.692 52.037 -0.220 0.000 0.635 495 A CB -0.806 18.142 19.000 -0.086 0.000 0.810 495 A HN 0.929 nan 8.150 nan 0.000 0.446 496 E N -0.892 119.233 120.200 -0.127 0.000 2.320 496 E HA 0.316 4.666 4.350 -0.000 0.000 0.189 496 E C 1.121 177.715 176.600 -0.010 0.000 1.100 496 E CA 0.744 57.115 56.400 -0.048 0.000 1.009 496 E CB -0.870 28.810 29.700 -0.034 0.000 1.145 496 E HN 0.506 nan 8.360 nan 0.000 0.454 497 R N 0.658 121.175 120.500 0.029 0.000 3.847 497 R HA -0.314 4.026 4.340 -0.000 0.000 0.274 497 R C 0.380 176.719 176.300 0.066 0.000 1.208 497 R CA 1.791 57.977 56.100 0.143 0.000 0.807 497 R CB -2.864 27.548 30.300 0.187 0.000 1.149 497 R HN 0.231 nan 8.270 nan 0.000 0.525 498 K N 0.051 120.462 120.400 0.018 0.000 2.416 498 K HA 0.387 4.707 4.320 -0.000 0.000 0.283 498 K C 0.486 177.100 176.600 0.022 0.000 1.037 498 K CA -0.188 56.109 56.287 0.017 0.000 0.995 498 K CB 0.404 32.918 32.500 0.024 0.000 0.938 498 K HN 0.351 nan 8.250 nan 0.000 0.475 499 L N 1.913 123.139 121.223 0.005 0.000 2.473 499 L HA -0.011 4.329 4.340 -0.000 0.000 0.265 499 L C 0.702 177.591 176.870 0.033 0.000 1.243 499 L CA 0.580 55.416 54.840 -0.007 0.000 0.822 499 L CB 0.450 42.477 42.059 -0.052 0.000 1.101 499 L HN 0.697 nan 8.230 nan 0.000 0.507 500 S N 0.178 115.899 115.700 0.034 0.000 2.593 500 S HA 0.650 5.120 4.470 -0.000 0.000 0.297 500 S C 0.986 175.618 174.600 0.053 0.000 1.112 500 S CA -0.338 57.898 58.200 0.060 0.000 1.043 500 S CB 1.525 64.754 63.200 0.049 0.000 1.054 500 S HN 0.831 nan 8.310 nan 0.000 0.516 501 A N 2.527 125.409 122.820 0.103 0.000 1.865 501 A HA -0.214 4.105 4.320 -0.000 0.000 0.244 501 A C 2.203 179.830 177.584 0.071 0.000 1.984 501 A CA 2.664 54.793 52.037 0.154 0.000 0.785 501 A CB -1.744 17.380 19.000 0.205 0.000 0.849 501 A HN 1.354 nan 8.150 nan 0.000 0.501 502 V N -0.171 119.577 119.914 -0.276 0.000 2.358 502 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 502 V C 2.382 178.460 176.094 -0.027 0.000 1.047 502 V CA 2.628 64.748 62.300 -0.301 0.000 1.035 502 V CB -0.722 30.750 31.823 -0.586 0.000 0.658 502 V HN 0.722 nan 8.190 nan 0.000 0.452 503 E N 0.099 120.279 120.200 -0.033 0.000 2.035 503 E HA -0.360 3.990 4.350 -0.000 0.000 0.204 503 E C 2.190 178.782 176.600 -0.012 0.000 1.025 503 E CA 2.103 58.483 56.400 -0.033 0.000 0.835 503 E CB -0.344 29.317 29.700 -0.066 0.000 0.764 503 E HN 0.867 nan 8.360 nan 0.000 0.457 504 Q N 0.566 120.377 119.800 0.017 0.000 2.181 504 Q HA -0.126 4.214 4.340 -0.000 0.000 0.205 504 Q C 2.161 178.218 176.000 0.095 0.000 0.980 504 Q CA 1.463 57.291 55.803 0.042 0.000 0.862 504 Q CB -0.305 28.468 28.738 0.059 0.000 0.905 504 Q HN 0.193 nan 8.270 nan 0.000 0.429 505 A N 1.384 124.299 122.820 0.159 0.000 1.972 505 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 505 A C 2.135 179.831 177.584 0.187 0.000 1.169 505 A CA 1.054 53.229 52.037 0.229 0.000 0.635 505 A CB -0.541 18.705 19.000 0.409 0.000 0.810 505 A HN 0.384 nan 8.150 nan 0.000 0.446 506 L N -0.381 120.926 121.223 0.140 0.000 2.072 506 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 506 L C 0.585 177.503 176.870 0.081 0.000 1.079 506 L CA 0.145 55.057 54.840 0.119 0.000 0.752 506 L CB -0.318 41.794 42.059 0.089 0.000 0.906 506 L HN 0.278 nan 8.230 nan 0.000 0.436 507 I N 0.719 121.315 120.570 0.044 0.000 2.821 507 I HA -0.114 4.056 4.170 -0.000 0.000 0.294 507 I C 1.389 177.522 176.117 0.026 0.000 1.210 507 I CA 1.129 62.439 61.300 0.016 0.000 1.430 507 I CB 0.095 38.087 38.000 -0.013 0.000 1.356 507 I HN 0.438 nan 8.210 nan 0.000 0.563 508 G N 3.548 112.358 108.800 0.016 0.000 2.176 508 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.253 508 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.253 508 G C 0.402 175.302 174.900 -0.000 0.000 0.979 508 G CA 0.047 45.150 45.100 0.005 0.000 0.641 508 G HN 0.565 nan 8.290 nan 0.000 0.530 509 T N 4.531 119.102 114.554 0.028 0.000 2.769 509 T HA 0.459 4.809 4.350 -0.000 0.000 0.293 509 T C -1.776 172.940 174.700 0.027 0.000 0.931 509 T CA -0.069 62.050 62.100 0.032 0.000 1.139 509 T CB 1.707 70.653 68.868 0.131 0.000 0.881 509 T HN 0.313 nan 8.240 nan 0.000 0.532 510 P HA 0.290 nan 4.420 nan 0.000 0.275 510 P C -0.616 176.724 177.300 0.066 0.000 1.227 510 P CA -0.392 62.711 63.100 0.005 0.000 0.781 510 P CB 0.524 32.199 31.700 -0.041 0.000 0.906 511 I N -0.574 120.038 120.570 0.071 0.000 2.476 511 I HA 0.444 4.614 4.170 -0.000 0.000 0.281 511 I C 1.001 177.164 176.117 0.077 0.000 1.040 511 I CA -1.211 60.146 61.300 0.095 0.000 1.094 511 I CB 1.758 39.804 38.000 0.076 0.000 1.219 511 I HN 0.170 nan 8.210 nan 0.000 0.450 512 A N 3.807 126.691 122.820 0.106 0.000 2.015 512 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 512 A C 0.669 178.248 177.584 -0.009 0.000 1.163 512 A CA 1.510 53.582 52.037 0.059 0.000 0.646 512 A CB -0.179 18.877 19.000 0.093 0.000 0.806 512 A HN 0.826 nan 8.150 nan 0.000 0.448 513 D N -2.864 117.541 120.400 0.008 0.000 2.354 513 D HA 0.299 4.939 4.640 -0.000 0.000 0.230 513 D C -2.513 173.779 176.300 -0.013 0.000 1.361 513 D CA -1.496 52.479 54.000 -0.043 0.000 0.992 513 D CB 1.275 41.974 40.800 -0.168 0.000 1.409 513 D HN -0.156 nan 8.370 nan 0.000 0.573 514 P HA -0.153 nan 4.420 nan 0.000 0.215 514 P C 1.004 178.285 177.300 -0.031 0.000 1.157 514 P CA 1.175 64.271 63.100 -0.008 0.000 0.874 514 P CB 0.421 32.123 31.700 0.003 0.000 0.790 515 K N -1.058 119.323 120.400 -0.031 0.000 2.442 515 K HA -0.069 4.251 4.320 -0.000 0.000 0.199 515 K C 0.260 176.803 176.600 -0.095 0.000 1.044 515 K CA 0.956 57.228 56.287 -0.024 0.000 0.941 515 K CB -0.150 32.347 32.500 -0.005 0.000 0.759 515 K HN 0.129 nan 8.250 nan 0.000 0.472 516 R N -0.398 119.965 120.500 -0.227 0.000 2.734 516 R HA 0.123 4.463 4.340 -0.000 0.000 0.242 516 R C -2.690 173.232 176.300 -0.630 0.000 1.617 516 R CA -0.923 54.745 56.100 -0.720 0.000 1.572 516 R CB 1.166 31.318 30.300 -0.248 0.000 1.477 516 R HN -0.099 nan 8.270 nan 0.000 0.707 517 P HA 0.023 nan 4.420 nan 0.000 0.247 517 P C 0.748 177.978 177.300 -0.116 0.000 1.756 517 P CA -0.030 62.961 63.100 -0.180 0.000 1.117 517 P CB 1.298 32.971 31.700 -0.043 0.000 1.869 518 V N 3.350 123.171 119.914 -0.155 0.000 2.490 518 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 518 V C 2.378 178.368 176.094 -0.173 0.000 1.061 518 V CA 1.994 64.213 62.300 -0.136 0.000 1.064 518 V CB -0.501 31.092 31.823 -0.383 0.000 0.670 518 V HN 0.381 nan 8.190 nan 0.000 0.461 519 E N -0.165 120.015 120.200 -0.033 0.000 2.072 519 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 519 E C 2.240 178.893 176.600 0.087 0.000 0.985 519 E CA 1.505 57.973 56.400 0.113 0.000 0.801 519 E CB -0.598 29.362 29.700 0.434 0.000 0.750 519 E HN 0.570 nan 8.360 nan 0.000 0.452 520 I N 0.643 121.255 120.570 0.070 0.000 2.151 520 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 520 I C 2.350 178.460 176.117 -0.012 0.000 1.080 520 I CA 1.176 62.513 61.300 0.061 0.000 1.339 520 I CB -0.273 37.765 38.000 0.063 0.000 1.039 520 I HN 0.067 nan 8.210 nan 0.000 0.409 521 L N -0.004 121.168 121.223 -0.085 0.000 2.291 521 L HA -0.094 4.246 4.340 -0.000 0.000 0.214 521 L C 2.479 179.190 176.870 -0.265 0.000 1.120 521 L CA 1.390 56.080 54.840 -0.249 0.000 0.799 521 L CB -0.558 41.431 42.059 -0.117 0.000 0.925 521 L HN 0.063 nan 8.230 nan 0.000 0.446 522 R N -1.672 118.672 120.500 -0.259 0.000 2.153 522 R HA -0.017 4.323 4.340 -0.000 0.000 0.218 522 R C 1.938 178.239 176.300 0.000 0.000 1.072 522 R CA 1.367 57.270 56.100 -0.329 0.000 0.990 522 R CB -0.186 29.519 30.300 -0.993 0.000 0.889 522 R HN 0.254 nan 8.270 nan 0.000 0.452 523 T N -0.173 114.417 114.554 0.061 0.000 2.976 523 T HA 0.020 4.370 4.350 -0.000 0.000 0.257 523 T C 1.749 176.610 174.700 0.269 0.000 1.051 523 T CA 0.579 62.813 62.100 0.223 0.000 1.141 523 T CB 0.271 69.319 68.868 0.300 0.000 0.881 523 T HN -0.044 nan 8.240 nan 0.000 0.461 524 V N 0.908 120.893 119.914 0.119 0.000 2.591 524 V HA -0.076 4.044 4.120 -0.000 0.000 0.249 524 V C 1.910 178.066 176.094 0.103 0.000 1.053 524 V CA 1.506 63.864 62.300 0.097 0.000 1.068 524 V CB -0.545 31.260 31.823 -0.030 0.000 0.689 524 V HN 0.623 nan 8.190 nan 0.000 0.462 525 H N -0.236 118.840 119.070 0.010 0.000 2.535 525 H HA -0.035 4.521 4.556 -0.000 0.000 0.273 525 H C 2.394 177.603 175.328 -0.199 0.000 0.983 525 H CA 0.916 56.868 56.048 -0.159 0.000 1.238 525 H CB 0.255 29.749 29.762 -0.447 0.000 1.412 525 H HN 0.561 nan 8.280 nan 0.000 0.562 526 S N -0.030 115.745 115.700 0.126 0.000 2.428 526 S HA -0.158 4.311 4.470 -0.000 0.000 0.230 526 S C 1.285 175.940 174.600 0.092 0.000 1.014 526 S CA 0.724 59.101 58.200 0.296 0.000 0.957 526 S CB -0.298 63.074 63.200 0.288 0.000 0.784 526 S HN 0.389 nan 8.310 nan 0.000 0.499 527 Y N 1.955 122.310 120.300 0.092 0.000 2.461 527 Y HA 0.277 4.827 4.550 -0.000 0.000 0.277 527 Y C 0.507 176.420 175.900 0.023 0.000 1.182 527 Y CA -0.500 57.631 58.100 0.053 0.000 1.276 527 Y CB -0.253 38.256 38.460 0.082 0.000 1.087 527 Y HN 0.171 nan 8.280 nan 0.000 0.519 528 D N 1.559 122.040 120.400 0.135 0.000 2.894 528 D HA -0.161 4.479 4.640 -0.000 0.000 0.216 528 D C -2.680 173.712 176.300 0.153 0.000 1.245 528 D CA 0.014 54.052 54.000 0.064 0.000 0.728 528 D CB 0.041 40.654 40.800 -0.311 0.000 0.924 528 D HN 0.146 nan 8.370 nan 0.000 0.395 529 P HA 0.088 nan 4.420 nan 0.000 0.271 529 P C -0.067 177.330 177.300 0.162 0.000 1.220 529 P CA -0.406 62.797 63.100 0.170 0.000 0.768 529 P CB 1.242 33.033 31.700 0.151 0.000 0.848 530 C N 6.184 125.578 119.300 0.157 0.000 3.164 530 C HA 0.238 4.698 4.460 -0.000 0.000 0.250 530 C C 1.748 176.834 174.990 0.160 0.000 1.151 530 C CA -0.540 58.572 59.018 0.156 0.000 1.449 530 C CB -1.301 26.542 27.740 0.172 0.000 1.825 530 C HN 0.474 nan 8.230 nan 0.000 0.478 531 I N 2.107 122.760 120.570 0.137 0.000 2.567 531 I HA -0.086 4.084 4.170 -0.000 0.000 0.257 531 I C 2.427 178.624 176.117 0.132 0.000 1.184 531 I CA 1.606 62.991 61.300 0.142 0.000 1.451 531 I CB -1.553 36.537 38.000 0.150 0.000 1.089 531 I HN 0.688 nan 8.210 nan 0.000 0.441 532 A N 0.223 123.113 122.820 0.117 0.000 1.929 532 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 532 A C 2.570 180.235 177.584 0.135 0.000 1.176 532 A CA 1.271 53.370 52.037 0.103 0.000 0.628 532 A CB -0.886 18.170 19.000 0.093 0.000 0.816 532 A HN 0.460 nan 8.150 nan 0.000 0.444 533 C N -1.148 118.277 119.300 0.208 0.000 2.667 533 C HA 0.101 4.561 4.460 -0.000 0.000 0.287 533 C C 3.074 178.259 174.990 0.324 0.000 1.256 533 C CA 0.787 60.003 59.018 0.330 0.000 1.738 533 C CB -1.572 26.414 27.740 0.410 0.000 2.113 533 C HN 0.674 nan 8.230 nan 0.000 0.470 534 G N 0.424 109.371 108.800 0.245 0.000 2.759 534 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.224 534 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.224 534 G C 1.494 176.341 174.900 -0.088 0.000 1.173 534 G CA 2.218 47.415 45.100 0.162 0.000 0.770 534 G HN 0.441 nan 8.290 nan 0.000 0.626 535 V N 1.518 121.372 119.914 -0.099 0.000 2.649 535 V HA 0.076 4.196 4.120 -0.000 0.000 0.248 535 V C 1.207 176.966 176.094 -0.559 0.000 1.054 535 V CA 1.087 63.276 62.300 -0.184 0.000 1.073 535 V CB -0.997 30.907 31.823 0.135 0.000 0.699 535 V HN 0.809 nan 8.190 nan 0.000 0.463 536 H N 0.000 119.059 119.070 -0.019 0.000 2.539 536 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 536 H CA 0.000 55.954 56.048 -0.157 0.000 1.023 536 H CB 0.000 29.567 29.762 -0.325 0.000 1.292 536 H HN 0.000 nan 8.280 nan 0.000 0.496