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 3ac0_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKFDVEQLLS ELNQDEKISL LSAVDFWHTK KIERLGIPAV RVSDGPNGIR DATA SEQUENCE GTKFFDGVPS GCFPNGTGLA STFDRDLLET AGKLMAKESI AKNAAVILGP DATA SEQUENCE TTNMQRGPLG GRGFESFSED PYLAGMATSS VVKGMQGEGI AATVKHFVCN DATA SEQUENCE DLEDQRFSSN SIVSERALRE IYLEPFRLAV KHANPVCIMT AYNKVNGEHC DATA SEQUENCE SQSKKLLIDI LRDEWKWDGM LMSDWFGTYT TAAAIKNGLD IEFPGPTRWR DATA SEQUENCE TRALVSHSLN SREQITTEDV DDRVRQVLKM IKFVVDNLEK TGIVENGPES DATA SEQUENCE TSNNTKETSD LLRKIAADSI VLLKNKNNIL PLKKEDNIIV IGPNAKAKTS DATA SEQUENCE SGGGSASMNS YYVVSPYEGI VNKLGKEVDY TVGAYSHKSI GGLAESSLID DATA SEQUENCE AAKPADAENS GLIAKFYSNP VEERSDDEEP FHVTKVNRSN VHLFDFKHEK DATA SEQUENCE VDPKNPYFFV TLTGQYVPQE DGDYIFSLQV YGSGLFYLND ELIIDQKHNQ DATA SEQUENCE ERGSFCFGAG TKERTKKLTL KKGQVYNVRV EYGSGPTSXX XGEFGAGGFQ DATA SEQUENCE AGVIKAIDDD EEIRNAAELA AKHDKAVLII GLNGEWETEG YDRENMDLPK DATA SEQUENCE RTNELVRAVL KANPNTVIVN QSGTPVEFPW LEDANALVQA WYGGNELGNA DATA SEQUENCE IADVLYGDVV PNGKLSLSWP FKLQDNPAFL NFKTEFGRVI YGEDIFVGYR DATA SEQUENCE YYEKLQRKVA FPFGYGLSYT TFELDISDFK VTDDKIAISV DVKNTGDKFA DATA SEQUENCE GSEVVQVYFS ALNSKVSRPV KELKGFEKVH LEPGEKKTVN IDLELKDAIS DATA SEQUENCE YFNEELGKWH VEAGEYLVSV GTSSDDILSV KEFKVEKELY WKGL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.642 174.600 0.070 0.000 1.055 2 S CA 0.000 58.221 58.200 0.036 0.000 1.107 2 S CB 0.000 63.215 63.200 0.025 0.000 0.593 3 K N 0.970 121.410 120.400 0.066 0.000 2.144 3 K HA -0.050 4.270 4.320 -0.000 0.000 0.209 3 K C 0.551 177.200 176.600 0.082 0.000 1.047 3 K CA 1.266 57.588 56.287 0.058 0.000 0.927 3 K CB -0.913 31.613 32.500 0.042 0.000 0.716 3 K HN 0.643 nan 8.250 nan 0.000 0.454 4 F N 2.213 122.156 119.950 -0.011 0.000 2.546 4 F HA -0.105 4.420 4.527 -0.004 0.000 0.388 4 F C 0.308 176.105 175.800 -0.005 0.000 1.051 4 F CA -0.018 57.979 58.000 -0.006 0.000 1.130 4 F CB 0.222 39.219 39.000 -0.005 0.000 1.044 4 F HN -0.100 nan 8.300 nan 0.000 0.553 5 D N 6.010 126.289 120.400 -0.201 0.000 2.453 5 D HA 0.184 4.824 4.640 -0.000 0.000 0.238 5 D C 0.695 176.907 176.300 -0.146 0.000 1.088 5 D CA -0.364 53.581 54.000 -0.092 0.000 0.854 5 D CB 1.574 42.319 40.800 -0.093 0.000 1.076 5 D HN 0.334 nan 8.370 nan 0.000 0.533 6 V N 4.039 123.958 119.914 0.009 0.000 2.237 6 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 6 V C 2.224 178.305 176.094 -0.021 0.000 1.046 6 V CA 1.415 63.737 62.300 0.037 0.000 1.007 6 V CB -0.262 31.624 31.823 0.104 0.000 0.638 6 V HN 0.562 nan 8.190 nan 0.000 0.445 7 E N -0.192 119.999 120.200 -0.015 0.000 2.085 7 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 7 E C 2.172 178.745 176.600 -0.045 0.000 0.994 7 E CA 1.641 58.027 56.400 -0.023 0.000 0.801 7 E CB -0.344 29.348 29.700 -0.014 0.000 0.743 7 E HN 0.630 nan 8.360 nan 0.000 0.453 8 Q N 0.689 120.451 119.800 -0.065 0.000 2.084 8 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 8 Q C 2.249 178.191 176.000 -0.097 0.000 0.978 8 Q CA 1.139 56.896 55.803 -0.076 0.000 0.844 8 Q CB -0.338 28.349 28.738 -0.085 0.000 0.898 8 Q HN 0.270 nan 8.270 nan 0.000 0.426 9 L N -0.373 120.764 121.223 -0.144 0.000 2.093 9 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 9 L C 2.193 179.010 176.870 -0.089 0.000 1.085 9 L CA 0.520 55.265 54.840 -0.158 0.000 0.755 9 L CB -0.451 41.446 42.059 -0.271 0.000 0.904 9 L HN 0.288 nan 8.230 nan 0.000 0.435 10 L N -0.086 121.100 121.223 -0.062 0.000 2.046 10 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 10 L C 2.729 179.580 176.870 -0.032 0.000 1.077 10 L CA 2.099 56.919 54.840 -0.033 0.000 0.747 10 L CB -0.493 41.555 42.059 -0.018 0.000 0.896 10 L HN 0.360 nan 8.230 nan 0.000 0.432 11 S N -2.284 113.394 115.700 -0.037 0.000 2.555 11 S HA -0.075 4.395 4.470 -0.000 0.000 0.230 11 S C 1.618 176.197 174.600 -0.034 0.000 0.978 11 S CA 0.929 59.111 58.200 -0.031 0.000 0.934 11 S CB -0.347 62.835 63.200 -0.030 0.000 0.766 11 S HN 0.635 nan 8.310 nan 0.000 0.533 12 E N 0.099 120.272 120.200 -0.044 0.000 2.340 12 E HA 0.317 4.667 4.350 -0.000 0.000 0.198 12 E C -0.153 176.425 176.600 -0.037 0.000 0.961 12 E CA -0.262 56.112 56.400 -0.043 0.000 0.905 12 E CB 0.174 29.839 29.700 -0.057 0.000 0.884 12 E HN 0.472 nan 8.360 nan 0.000 0.491 13 L N 3.042 124.244 121.223 -0.036 0.000 2.485 13 L HA 0.014 4.354 4.340 -0.000 0.000 0.275 13 L C 0.383 177.241 176.870 -0.021 0.000 1.207 13 L CA -0.381 54.442 54.840 -0.027 0.000 0.855 13 L CB 0.026 42.072 42.059 -0.022 0.000 1.114 13 L HN 0.168 nan 8.230 nan 0.000 0.485 14 N N 1.084 119.773 118.700 -0.019 0.000 2.458 14 N HA 0.089 4.829 4.740 -0.000 0.000 0.271 14 N C 0.341 175.843 175.510 -0.013 0.000 1.210 14 N CA -0.678 52.363 53.050 -0.015 0.000 0.978 14 N CB 0.524 39.002 38.487 -0.015 0.000 1.206 14 N HN 0.596 nan 8.380 nan 0.000 0.536 15 Q N -0.695 119.098 119.800 -0.011 0.000 2.096 15 Q HA -0.215 4.124 4.340 -0.000 0.000 0.204 15 Q C 0.365 176.359 176.000 -0.010 0.000 0.982 15 Q CA 1.834 57.632 55.803 -0.009 0.000 0.850 15 Q CB -0.139 28.596 28.738 -0.006 0.000 0.901 15 Q HN 0.655 nan 8.270 nan 0.000 0.422 16 D N 0.314 120.707 120.400 -0.011 0.000 2.123 16 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 16 D C 1.635 177.924 176.300 -0.018 0.000 0.992 16 D CA 1.467 55.459 54.000 -0.014 0.000 0.833 16 D CB -0.095 40.696 40.800 -0.015 0.000 0.954 16 D HN 0.429 nan 8.370 nan 0.000 0.455 17 E N 0.529 120.719 120.200 -0.017 0.000 2.072 17 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 17 E C 2.057 178.648 176.600 -0.015 0.000 0.985 17 E CA 0.721 57.111 56.400 -0.017 0.000 0.801 17 E CB 0.070 29.761 29.700 -0.015 0.000 0.750 17 E HN 0.243 nan 8.360 nan 0.000 0.452 18 K N 0.812 121.205 120.400 -0.012 0.000 2.001 18 K HA -0.191 4.129 4.320 -0.000 0.000 0.214 18 K C 2.202 178.794 176.600 -0.013 0.000 1.050 18 K CA 1.584 57.865 56.287 -0.009 0.000 0.934 18 K CB -0.374 32.122 32.500 -0.008 0.000 0.718 18 K HN 0.099 nan 8.250 nan 0.000 0.443 19 I N 1.579 122.140 120.570 -0.014 0.000 2.185 19 I HA -0.336 3.834 4.170 -0.000 0.000 0.246 19 I C 2.574 178.671 176.117 -0.033 0.000 1.088 19 I CA 1.675 62.964 61.300 -0.018 0.000 1.347 19 I CB -0.574 37.417 38.000 -0.014 0.000 1.041 19 I HN 0.272 nan 8.210 nan 0.000 0.415 20 S N 0.717 116.396 115.700 -0.036 0.000 2.474 20 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 20 S C 1.836 176.401 174.600 -0.058 0.000 0.997 20 S CA 0.738 58.908 58.200 -0.051 0.000 0.949 20 S CB -0.580 62.594 63.200 -0.044 0.000 0.766 20 S HN 0.464 nan 8.310 nan 0.000 0.517 21 L N 0.345 121.545 121.223 -0.038 0.000 2.418 21 L HA 0.277 4.617 4.340 -0.000 0.000 0.218 21 L C 1.714 178.555 176.870 -0.048 0.000 1.125 21 L CA 0.402 55.223 54.840 -0.032 0.000 0.835 21 L CB -0.227 41.832 42.059 0.000 0.000 0.953 21 L HN 0.330 nan 8.230 nan 0.000 0.454 22 L N -0.715 120.476 121.223 -0.054 0.000 2.627 22 L HA 0.076 4.416 4.340 -0.000 0.000 0.233 22 L C 0.569 177.375 176.870 -0.108 0.000 1.144 22 L CA -0.016 54.790 54.840 -0.056 0.000 0.892 22 L CB -0.454 41.586 42.059 -0.032 0.000 1.039 22 L HN 0.288 nan 8.230 nan 0.000 0.442 23 S N -1.656 113.940 115.700 -0.173 0.000 2.550 23 S HA 0.741 5.211 4.470 -0.000 0.000 0.270 23 S C -0.457 173.884 174.600 -0.432 0.000 1.145 23 S CA -0.727 57.299 58.200 -0.291 0.000 0.852 23 S CB 2.081 65.144 63.200 -0.227 0.000 1.119 23 S HN 0.014 nan 8.310 nan 0.000 0.465 24 A N 1.117 123.485 122.820 -0.753 0.000 2.346 24 A HA 0.645 4.965 4.320 -0.000 0.000 0.252 24 A C 0.968 178.257 177.584 -0.492 0.000 1.089 24 A CA -0.442 51.070 52.037 -0.876 0.000 0.797 24 A CB 0.031 18.027 19.000 -1.673 0.000 1.047 24 A HN 1.188 nan 8.150 nan 0.000 0.494 25 V N 0.334 120.054 119.914 -0.324 0.000 2.685 25 V HA 0.087 4.207 4.120 -0.000 0.000 0.244 25 V C 0.779 176.756 176.094 -0.195 0.000 1.054 25 V CA 1.918 64.097 62.300 -0.201 0.000 1.076 25 V CB -0.786 30.978 31.823 -0.099 0.000 0.725 25 V HN 1.073 nan 8.190 nan 0.000 0.467 26 D N -2.518 117.781 120.400 -0.167 0.000 2.989 26 D HA 0.159 4.799 4.640 -0.000 0.000 0.284 26 D C 0.790 176.917 176.300 -0.289 0.000 1.212 26 D CA -0.689 53.224 54.000 -0.145 0.000 1.055 26 D CB 0.103 40.951 40.800 0.079 0.000 1.351 26 D HN -0.075 nan 8.370 nan 0.000 0.611 27 F N -1.225 118.556 119.950 -0.282 0.000 2.307 27 F HA 0.060 4.586 4.527 -0.002 0.000 0.301 27 F C 0.903 176.386 175.800 -0.528 0.000 1.076 27 F CA 1.113 58.724 58.000 -0.649 0.000 1.383 27 F CB -0.059 38.298 39.000 -1.071 0.000 1.055 27 F HN 0.302 nan 8.300 nan 0.000 0.526 28 W N -2.940 118.636 121.300 0.461 0.000 1.780 28 W HA 0.245 4.904 4.660 -0.003 0.000 0.256 28 W C -0.610 175.875 176.519 -0.056 0.000 0.844 28 W CA -0.369 57.144 57.345 0.281 0.000 1.227 28 W CB -0.169 29.297 29.460 0.009 0.000 1.006 28 W HN -0.266 nan 8.180 nan 0.000 0.493 29 H N -0.399 118.906 119.070 0.391 0.000 2.782 29 H HA 0.395 4.953 4.556 0.003 0.000 0.347 29 H C 0.625 175.971 175.328 0.030 0.000 1.038 29 H CA -0.670 55.511 56.048 0.222 0.000 1.255 29 H CB 1.459 31.311 29.762 0.151 0.000 1.623 29 H HN -0.165 nan 8.280 nan 0.000 0.525 30 T N -0.776 113.878 114.554 0.167 0.000 2.698 30 T HA 0.145 4.495 4.350 -0.000 0.000 0.295 30 T C 0.460 175.176 174.700 0.027 0.000 1.007 30 T CA -0.928 61.183 62.100 0.019 0.000 0.980 30 T CB 0.744 69.654 68.868 0.071 0.000 1.036 30 T HN 0.382 nan 8.240 nan 0.000 0.526 31 K N 0.871 121.262 120.400 -0.016 0.000 2.285 31 K HA 0.242 4.562 4.320 -0.000 0.000 0.286 31 K C 0.038 176.650 176.600 0.020 0.000 1.072 31 K CA -0.335 55.943 56.287 -0.015 0.000 0.913 31 K CB 0.336 32.810 32.500 -0.043 0.000 1.067 31 K HN 0.665 nan 8.250 nan 0.000 0.479 32 K N 5.233 125.646 120.400 0.022 0.000 2.448 32 K HA 0.075 4.395 4.320 -0.000 0.000 0.278 32 K C -0.582 176.029 176.600 0.019 0.000 1.009 32 K CA -0.040 56.265 56.287 0.029 0.000 0.995 32 K CB 0.388 32.897 32.500 0.016 0.000 0.917 32 K HN 0.570 nan 8.250 nan 0.000 0.481 33 I N 4.612 125.200 120.570 0.030 0.000 2.448 33 I HA 0.078 4.247 4.170 -0.000 0.000 0.281 33 I C 0.847 176.974 176.117 0.016 0.000 1.027 33 I CA -0.256 61.054 61.300 0.016 0.000 1.111 33 I CB 1.323 39.332 38.000 0.015 0.000 1.236 33 I HN 0.902 nan 8.210 nan 0.000 0.452 34 E N 5.820 126.024 120.200 0.007 0.000 2.028 34 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 34 E C 1.899 178.499 176.600 0.000 0.000 0.984 34 E CA 1.044 57.448 56.400 0.007 0.000 0.800 34 E CB 0.289 29.990 29.700 0.002 0.000 0.758 34 E HN 0.593 nan 8.360 nan 0.000 0.448 35 R N 0.344 120.840 120.500 -0.007 0.000 2.316 35 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 35 R C 1.578 177.866 176.300 -0.020 0.000 1.137 35 R CA 1.104 57.196 56.100 -0.013 0.000 1.012 35 R CB -0.270 30.020 30.300 -0.016 0.000 0.859 35 R HN 0.240 nan 8.270 nan 0.000 0.474 36 L N -0.183 121.028 121.223 -0.020 0.000 2.858 36 L HA 0.340 4.680 4.340 -0.000 0.000 0.251 36 L C 0.636 177.484 176.870 -0.036 0.000 1.149 36 L CA 0.146 54.961 54.840 -0.043 0.000 0.955 36 L CB 0.795 42.818 42.059 -0.060 0.000 1.289 36 L HN 0.498 nan 8.230 nan 0.000 0.542 37 G N 2.091 110.894 108.800 0.006 0.000 2.295 37 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.287 37 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.287 37 G C -0.015 174.956 174.900 0.118 0.000 1.055 37 G CA 0.070 45.197 45.100 0.045 0.000 0.922 37 G HN 0.337 nan 8.290 nan 0.000 0.503 38 I N 2.120 122.765 120.570 0.125 0.000 2.307 38 I HA 0.290 4.460 4.170 -0.000 0.000 0.289 38 I C -1.625 174.584 176.117 0.154 0.000 1.021 38 I CA -2.353 59.088 61.300 0.235 0.000 1.224 38 I CB 1.628 39.735 38.000 0.178 0.000 1.376 38 I HN -0.016 nan 8.210 nan 0.000 0.470 39 P HA 0.212 nan 4.420 nan 0.000 0.279 39 P C -0.644 176.710 177.300 0.091 0.000 1.252 39 P CA -0.559 62.598 63.100 0.095 0.000 0.811 39 P CB 1.033 32.780 31.700 0.079 0.000 1.035 40 A N 1.928 124.799 122.820 0.085 0.000 2.524 40 A HA 0.258 4.578 4.320 -0.000 0.000 0.250 40 A C 0.249 177.924 177.584 0.152 0.000 1.078 40 A CA -0.048 52.059 52.037 0.116 0.000 0.761 40 A CB -0.639 18.428 19.000 0.111 0.000 1.012 40 A HN 0.353 nan 8.150 nan 0.000 0.500 41 V N 4.317 124.328 119.914 0.162 0.000 2.465 41 V HA 0.348 4.468 4.120 -0.000 0.000 0.279 41 V C 0.763 176.982 176.094 0.209 0.000 1.045 41 V CA -0.485 61.912 62.300 0.163 0.000 0.938 41 V CB 1.250 33.152 31.823 0.131 0.000 0.986 41 V HN 0.958 nan 8.190 nan 0.000 0.467 42 R N 3.723 124.322 120.500 0.165 0.000 2.312 42 R HA 0.695 5.035 4.340 -0.000 0.000 0.311 42 R C -0.856 175.477 176.300 0.056 0.000 1.004 42 R CA -0.389 55.736 56.100 0.042 0.000 0.902 42 R CB 1.684 32.013 30.300 0.049 0.000 1.073 42 R HN 0.670 nan 8.270 nan 0.000 0.457 43 V N 0.378 120.346 119.914 0.090 0.000 2.715 43 V HA 0.740 4.860 4.120 -0.000 0.000 0.310 43 V C -0.804 175.302 176.094 0.021 0.000 1.054 43 V CA -0.589 61.770 62.300 0.097 0.000 0.928 43 V CB 1.875 33.783 31.823 0.143 0.000 1.007 43 V HN 0.735 nan 8.190 nan 0.000 0.437 44 S N 1.595 117.235 115.700 -0.101 0.000 2.541 44 S HA 0.468 4.938 4.470 -0.000 0.000 0.280 44 S C -0.944 173.490 174.600 -0.277 0.000 1.112 44 S CA -0.638 57.377 58.200 -0.308 0.000 0.925 44 S CB 1.664 64.656 63.200 -0.347 0.000 1.067 44 S HN 0.989 nan 8.310 nan 0.000 0.479 45 D N 1.871 122.037 120.400 -0.389 0.000 2.423 45 D HA 0.509 5.149 4.640 -0.000 0.000 0.238 45 D C 0.604 176.746 176.300 -0.263 0.000 1.142 45 D CA 0.954 54.783 54.000 -0.286 0.000 0.884 45 D CB 1.253 41.886 40.800 -0.278 0.000 1.199 45 D HN 0.722 nan 8.370 nan 0.000 0.438 46 G N 0.923 109.600 108.800 -0.204 0.000 2.694 46 G HA2 0.235 4.194 3.960 -0.000 0.000 0.246 46 G HA3 0.235 4.194 3.960 -0.000 0.000 0.246 46 G C -2.351 172.435 174.900 -0.190 0.000 1.205 46 G CA -0.561 44.432 45.100 -0.178 0.000 0.891 46 G HN 0.248 nan 8.290 nan 0.000 0.515 47 P HA 0.069 nan 4.420 nan 0.000 0.231 47 P C 0.174 177.329 177.300 -0.243 0.000 1.168 47 P CA 0.973 63.935 63.100 -0.230 0.000 0.779 47 P CB -0.035 31.501 31.700 -0.272 0.000 0.844 48 N N -0.759 117.836 118.700 -0.176 0.000 2.610 48 N HA 0.481 5.221 4.740 -0.000 0.000 0.307 48 N C 0.043 175.546 175.510 -0.012 0.000 1.813 48 N CA -0.370 52.609 53.050 -0.118 0.000 0.901 48 N CB 0.666 39.183 38.487 0.050 0.000 1.354 48 N HN 0.083 nan 8.380 nan 0.000 0.491 49 G N 0.142 108.843 108.800 -0.165 0.000 2.357 49 G HA2 0.132 4.092 3.960 -0.000 0.000 0.643 49 G HA3 0.132 4.092 3.960 -0.000 0.000 0.643 49 G C -1.921 172.915 174.900 -0.107 0.000 1.358 49 G CA -1.051 44.052 45.100 0.005 0.000 0.986 49 G HN 0.129 nan 8.290 nan 0.000 0.620 50 I N 0.954 121.466 120.570 -0.097 0.000 2.354 50 I HA 0.448 4.618 4.170 -0.000 0.000 0.286 50 I C 1.364 177.358 176.117 -0.205 0.000 1.007 50 I CA -0.652 60.554 61.300 -0.157 0.000 1.167 50 I CB 1.128 39.060 38.000 -0.113 0.000 1.320 50 I HN 0.877 nan 8.210 nan 0.000 0.458 51 R N 4.348 124.672 120.500 -0.293 0.000 2.093 51 R HA 0.188 4.528 4.340 -0.000 0.000 0.224 51 R C 1.097 177.177 176.300 -0.366 0.000 1.101 51 R CA 1.163 57.051 56.100 -0.352 0.000 0.979 51 R CB 0.248 30.248 30.300 -0.499 0.000 0.877 51 R HN 0.943 nan 8.270 nan 0.000 0.441 52 G N -0.894 107.648 108.800 -0.430 0.000 2.527 52 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.227 52 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.227 52 G C 0.464 174.980 174.900 -0.640 0.000 1.291 52 G CA 0.224 45.069 45.100 -0.424 0.000 0.904 52 G HN 0.332 nan 8.290 nan 0.000 0.577 53 T N -1.308 113.002 114.554 -0.407 0.000 3.129 53 T HA 0.465 4.815 4.350 -0.000 0.000 0.251 53 T C 0.568 175.233 174.700 -0.058 0.000 1.117 53 T CA 1.541 63.413 62.100 -0.380 0.000 1.034 53 T CB -0.458 68.441 68.868 0.050 0.000 0.968 53 T HN 1.112 nan 8.240 nan 0.000 0.526 54 K N -1.066 119.267 120.400 -0.112 0.000 2.562 54 K HA 0.516 4.836 4.320 -0.000 0.000 0.267 54 K C -0.924 175.679 176.600 0.005 0.000 0.938 54 K CA -0.971 55.376 56.287 0.100 0.000 0.840 54 K CB 0.896 33.508 32.500 0.185 0.000 1.390 54 K HN -0.102 nan 8.250 nan 0.000 0.428 55 F N 0.570 120.611 119.950 0.153 0.000 2.164 55 F HA 0.211 4.739 4.527 0.000 0.000 0.287 55 F C 0.879 176.773 175.800 0.156 0.000 1.086 55 F CA 0.362 58.397 58.000 0.057 0.000 1.249 55 F CB 0.251 39.173 39.000 -0.130 0.000 1.059 55 F HN 0.516 nan 8.300 nan 0.000 0.490 56 F N 2.320 122.491 119.950 0.368 0.000 2.506 56 F HA 0.159 4.685 4.527 -0.000 0.000 0.371 56 F C 0.789 176.744 175.800 0.258 0.000 1.078 56 F CA -0.742 57.439 58.000 0.300 0.000 1.195 56 F CB -0.212 39.007 39.000 0.366 0.000 1.099 56 F HN 0.277 nan 8.300 nan 0.000 0.548 57 D N 2.988 123.030 120.400 -0.596 0.000 2.870 57 D HA -0.160 4.480 4.640 -0.000 0.000 0.228 57 D C 0.086 176.291 176.300 -0.159 0.000 1.147 57 D CA 1.063 54.758 54.000 -0.509 0.000 0.757 57 D CB -1.236 39.170 40.800 -0.657 0.000 1.091 57 D HN 0.894 nan 8.370 nan 0.000 0.429 58 G N -0.762 107.991 108.800 -0.079 0.000 2.507 58 G HA2 0.489 4.449 3.960 -0.000 0.000 0.271 58 G HA3 0.489 4.449 3.960 -0.000 0.000 0.271 58 G C 0.146 175.016 174.900 -0.049 0.000 1.189 58 G CA -0.334 44.737 45.100 -0.049 0.000 0.859 58 G HN 0.329 nan 8.290 nan 0.000 0.542 59 V N 3.222 123.110 119.914 -0.042 0.000 2.521 59 V HA 0.103 4.223 4.120 -0.000 0.000 0.286 59 V C -1.507 174.576 176.094 -0.017 0.000 1.034 59 V CA -0.849 61.444 62.300 -0.013 0.000 1.045 59 V CB 1.052 32.874 31.823 -0.002 0.000 0.974 59 V HN 0.551 nan 8.190 nan 0.000 0.480 60 P HA 0.180 nan 4.420 nan 0.000 0.269 60 P C -0.211 177.063 177.300 -0.043 0.000 1.217 60 P CA 0.337 63.447 63.100 0.016 0.000 0.783 60 P CB 0.605 32.409 31.700 0.173 0.000 0.898 61 S N -0.750 114.669 115.700 -0.469 0.000 2.672 61 S HA 0.683 5.152 4.470 -0.000 0.000 0.271 61 S C -1.001 172.792 174.600 -1.346 0.000 1.171 61 S CA -0.511 57.258 58.200 -0.719 0.000 0.817 61 S CB 0.937 63.957 63.200 -0.299 0.000 1.150 61 S HN 0.457 nan 8.310 nan 0.000 0.478 62 G N 1.096 109.414 108.800 -0.803 0.000 2.404 62 G HA2 0.453 4.413 3.960 -0.000 0.000 0.316 62 G HA3 0.453 4.413 3.960 -0.000 0.000 0.316 62 G C -0.150 174.623 174.900 -0.213 0.000 1.074 62 G CA -0.267 44.506 45.100 -0.544 0.000 0.989 62 G HN 0.714 nan 8.290 nan 0.000 0.430 63 C N 4.461 123.619 119.300 -0.236 0.000 2.499 63 C HA 0.640 5.100 4.460 -0.000 0.000 0.386 63 C C 0.490 175.491 174.990 0.018 0.000 1.293 63 C CA -0.994 58.005 59.018 -0.032 0.000 1.884 63 C CB -1.423 26.267 27.740 -0.083 0.000 2.509 63 C HN 0.535 nan 8.230 nan 0.000 0.566 64 F N 5.481 125.402 119.950 -0.047 0.000 2.362 64 F HA 0.402 4.929 4.527 -0.001 0.000 0.311 64 F C -1.504 174.320 175.800 0.039 0.000 1.161 64 F CA -2.006 55.994 58.000 -0.000 0.000 1.085 64 F CB 0.314 39.316 39.000 0.004 0.000 1.311 64 F HN 0.409 nan 8.300 nan 0.000 0.524 65 P HA -0.005 nan 4.420 nan 0.000 0.269 65 P C -0.921 176.504 177.300 0.209 0.000 1.209 65 P CA -0.371 62.861 63.100 0.221 0.000 0.776 65 P CB 0.281 32.089 31.700 0.180 0.000 0.876 66 N N 1.307 120.148 118.700 0.235 0.000 2.416 66 N HA -0.065 4.675 4.740 -0.000 0.000 0.246 66 N C 1.470 176.994 175.510 0.024 0.000 1.260 66 N CA 0.441 53.621 53.050 0.216 0.000 0.897 66 N CB 0.154 38.916 38.487 0.458 0.000 1.110 66 N HN 0.465 nan 8.380 nan 0.000 0.439 67 G N 0.749 109.489 108.800 -0.100 0.000 2.513 67 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.219 67 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.219 67 G C 1.493 176.285 174.900 -0.180 0.000 1.160 67 G CA 2.105 47.047 45.100 -0.263 0.000 0.767 67 G HN 0.845 nan 8.290 nan 0.000 0.571 68 T N -0.948 113.438 114.554 -0.280 0.000 2.867 68 T HA 0.092 4.442 4.350 -0.000 0.000 0.268 68 T C 2.408 176.492 174.700 -1.027 0.000 1.057 68 T CA 1.504 63.315 62.100 -0.481 0.000 1.136 68 T CB -0.568 68.055 68.868 -0.408 0.000 0.874 68 T HN 0.311 nan 8.240 nan 0.000 0.466 69 G N 2.169 110.280 108.800 -1.148 0.000 2.433 69 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.216 69 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.216 69 G C 1.504 176.160 174.900 -0.407 0.000 1.186 69 G CA 0.828 45.235 45.100 -1.155 0.000 0.779 69 G HN 0.513 nan 8.290 nan 0.000 0.543 70 L N 0.826 121.952 121.223 -0.162 0.000 2.043 70 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 70 L C 3.372 180.203 176.870 -0.065 0.000 1.075 70 L CA 1.322 56.159 54.840 -0.006 0.000 0.752 70 L CB -0.515 41.639 42.059 0.159 0.000 0.891 70 L HN 0.322 nan 8.230 nan 0.000 0.432 71 A N -0.871 121.903 122.820 -0.076 0.000 2.015 71 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 71 A C 2.411 179.824 177.584 -0.284 0.000 1.163 71 A CA 1.610 53.521 52.037 -0.210 0.000 0.646 71 A CB -0.411 18.515 19.000 -0.124 0.000 0.806 71 A HN 0.395 nan 8.150 nan 0.000 0.448 72 S N -0.018 115.583 115.700 -0.165 0.000 2.474 72 S HA -0.115 4.355 4.470 -0.000 0.000 0.235 72 S C 2.068 176.782 174.600 0.189 0.000 0.997 72 S CA 1.483 59.727 58.200 0.073 0.000 0.949 72 S CB -0.602 62.711 63.200 0.188 0.000 0.766 72 S HN 0.912 nan 8.310 nan 0.000 0.517 73 T N -0.506 114.092 114.554 0.073 0.000 2.833 73 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 73 T C 0.883 175.704 174.700 0.202 0.000 1.054 73 T CA 0.717 62.881 62.100 0.106 0.000 1.135 73 T CB -0.981 67.921 68.868 0.056 0.000 0.869 73 T HN 0.348 nan 8.240 nan 0.000 0.466 74 F N 1.344 121.224 119.950 -0.117 0.000 3.097 74 F HA -0.149 4.379 4.527 0.000 0.000 0.278 74 F C 0.145 176.029 175.800 0.140 0.000 0.917 74 F CA 0.707 58.620 58.000 -0.145 0.000 0.962 74 F CB -1.524 37.336 39.000 -0.233 0.000 0.964 74 F HN 0.314 nan 8.300 nan 0.000 0.668 75 D N 0.104 120.617 120.400 0.188 0.000 2.446 75 D HA 0.275 4.915 4.640 -0.000 0.000 0.251 75 D C 1.204 177.551 176.300 0.078 0.000 1.137 75 D CA -0.423 53.667 54.000 0.151 0.000 0.890 75 D CB 0.604 41.461 40.800 0.095 0.000 1.071 75 D HN 0.136 nan 8.370 nan 0.000 0.528 76 R N 1.711 122.254 120.500 0.071 0.000 2.096 76 R HA -0.154 4.186 4.340 -0.000 0.000 0.240 76 R C 0.787 177.061 176.300 -0.043 0.000 1.139 76 R CA 1.422 57.500 56.100 -0.037 0.000 0.952 76 R CB 0.109 30.335 30.300 -0.123 0.000 0.854 76 R HN 0.416 nan 8.270 nan 0.000 0.436 77 D N 0.699 121.084 120.400 -0.024 0.000 2.097 77 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 77 D C 1.818 178.117 176.300 -0.002 0.000 0.989 77 D CA 0.854 54.843 54.000 -0.018 0.000 0.827 77 D CB -0.304 40.490 40.800 -0.010 0.000 0.966 77 D HN 0.030 nan 8.370 nan 0.000 0.456 78 L N 0.448 121.679 121.223 0.013 0.000 2.131 78 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 78 L C 2.017 178.905 176.870 0.030 0.000 1.092 78 L CA 1.285 56.142 54.840 0.028 0.000 0.759 78 L CB -0.334 41.748 42.059 0.039 0.000 0.903 78 L HN 0.036 nan 8.230 nan 0.000 0.435 79 L N -1.162 120.062 121.223 0.001 0.000 2.179 79 L HA -0.131 4.208 4.340 -0.000 0.000 0.208 79 L C 2.448 179.305 176.870 -0.022 0.000 1.096 79 L CA 0.997 55.825 54.840 -0.020 0.000 0.779 79 L CB -0.437 41.565 42.059 -0.094 0.000 0.922 79 L HN 0.321 nan 8.230 nan 0.000 0.443 80 E N -0.229 119.954 120.200 -0.028 0.000 2.110 80 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 80 E C 1.983 178.590 176.600 0.011 0.000 0.988 80 E CA 1.676 58.063 56.400 -0.021 0.000 0.804 80 E CB 0.155 29.838 29.700 -0.029 0.000 0.745 80 E HN 0.338 nan 8.360 nan 0.000 0.458 81 T N 0.021 114.592 114.554 0.028 0.000 2.821 81 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 81 T C 1.763 176.524 174.700 0.101 0.000 1.046 81 T CA 0.992 63.124 62.100 0.052 0.000 1.139 81 T CB -0.154 68.742 68.868 0.045 0.000 0.871 81 T HN 0.276 nan 8.240 nan 0.000 0.454 82 A N 1.276 124.174 122.820 0.130 0.000 1.933 82 A HA 0.136 4.456 4.320 -0.000 0.000 0.218 82 A C 2.556 180.216 177.584 0.128 0.000 1.175 82 A CA 1.791 53.986 52.037 0.264 0.000 0.628 82 A CB -1.259 17.902 19.000 0.269 0.000 0.814 82 A HN 0.501 nan 8.150 nan 0.000 0.444 83 G N -0.045 108.770 108.800 0.025 0.000 2.433 83 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 83 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 83 G C 1.640 176.548 174.900 0.013 0.000 1.186 83 G CA 1.055 46.140 45.100 -0.026 0.000 0.779 83 G HN 0.560 nan 8.290 nan 0.000 0.543 84 K N -0.401 120.025 120.400 0.043 0.000 2.074 84 K HA -0.106 4.214 4.320 -0.000 0.000 0.209 84 K C 2.373 179.025 176.600 0.086 0.000 1.048 84 K CA 1.213 57.532 56.287 0.055 0.000 0.926 84 K CB -0.304 32.226 32.500 0.051 0.000 0.713 84 K HN 0.288 nan 8.250 nan 0.000 0.444 85 L N 0.709 122.020 121.223 0.147 0.000 2.179 85 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 85 L C 2.086 179.130 176.870 0.290 0.000 1.096 85 L CA 1.310 56.289 54.840 0.231 0.000 0.779 85 L CB -0.119 42.123 42.059 0.305 0.000 0.922 85 L HN 0.132 nan 8.230 nan 0.000 0.443 86 M N -1.137 118.564 119.600 0.168 0.000 2.132 86 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 86 M C 2.299 178.610 176.300 0.017 0.000 1.065 86 M CA 1.677 56.968 55.300 -0.016 0.000 1.122 86 M CB -0.504 31.904 32.600 -0.320 0.000 1.365 86 M HN 0.373 nan 8.290 nan 0.000 0.411 87 A N 0.535 123.368 122.820 0.022 0.000 1.883 87 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 87 A C 2.160 179.773 177.584 0.048 0.000 1.186 87 A CA 1.781 53.836 52.037 0.030 0.000 0.624 87 A CB -0.597 18.426 19.000 0.037 0.000 0.822 87 A HN 0.393 nan 8.150 nan 0.000 0.444 88 K N -0.580 119.861 120.400 0.068 0.000 2.032 88 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 88 K C 1.919 178.563 176.600 0.072 0.000 1.048 88 K CA 1.432 57.758 56.287 0.067 0.000 0.927 88 K CB -0.225 32.320 32.500 0.075 0.000 0.712 88 K HN 0.484 nan 8.250 nan 0.000 0.441 89 E N 0.424 120.684 120.200 0.100 0.000 2.153 89 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 89 E C 2.032 178.658 176.600 0.044 0.000 0.988 89 E CA 0.772 57.232 56.400 0.099 0.000 0.811 89 E CB -0.097 29.691 29.700 0.147 0.000 0.746 89 E HN 0.144 nan 8.360 nan 0.000 0.466 90 S N 0.372 116.086 115.700 0.023 0.000 2.371 90 S HA -0.046 4.424 4.470 -0.000 0.000 0.224 90 S C 2.059 176.663 174.600 0.006 0.000 1.029 90 S CA 0.358 58.554 58.200 -0.006 0.000 0.978 90 S CB -0.052 63.140 63.200 -0.014 0.000 0.833 90 S HN 0.144 nan 8.310 nan 0.000 0.466 91 I N 1.663 122.246 120.570 0.022 0.000 2.226 91 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 91 I C 2.659 178.790 176.117 0.023 0.000 1.100 91 I CA 1.138 62.452 61.300 0.023 0.000 1.374 91 I CB -0.399 37.616 38.000 0.025 0.000 1.057 91 I HN 0.344 nan 8.210 nan 0.000 0.413 92 A N 0.150 122.989 122.820 0.031 0.000 2.019 92 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 92 A C 2.059 179.657 177.584 0.024 0.000 1.164 92 A CA 1.359 53.416 52.037 0.034 0.000 0.644 92 A CB -0.234 18.800 19.000 0.056 0.000 0.805 92 A HN 0.211 nan 8.150 nan 0.000 0.449 93 K N -0.586 119.819 120.400 0.009 0.000 2.444 93 K HA 0.069 4.389 4.320 -0.000 0.000 0.193 93 K C -0.075 176.523 176.600 -0.003 0.000 1.024 93 K CA 0.339 56.618 56.287 -0.014 0.000 1.077 93 K CB -0.472 31.993 32.500 -0.058 0.000 0.833 93 K HN 0.664 nan 8.250 nan 0.000 0.517 94 N N 0.291 118.998 118.700 0.012 0.000 2.725 94 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 94 N C -0.716 174.810 175.510 0.027 0.000 1.103 94 N CA 0.431 53.497 53.050 0.026 0.000 0.707 94 N CB -0.601 37.911 38.487 0.041 0.000 1.043 94 N HN 0.272 nan 8.380 nan 0.000 0.553 95 A N -0.171 122.650 122.820 0.002 0.000 2.252 95 A HA 0.723 5.043 4.320 -0.000 0.000 0.309 95 A C 1.108 178.703 177.584 0.018 0.000 1.285 95 A CA 0.160 52.193 52.037 -0.007 0.000 0.900 95 A CB 0.926 19.889 19.000 -0.062 0.000 1.157 95 A HN 0.386 nan 8.150 nan 0.000 0.536 96 A N 2.710 125.556 122.820 0.044 0.000 2.119 96 A HA 0.410 4.730 4.320 -0.000 0.000 0.216 96 A C 0.612 178.248 177.584 0.086 0.000 1.152 96 A CA 0.949 53.027 52.037 0.069 0.000 0.708 96 A CB 0.046 19.093 19.000 0.078 0.000 0.805 96 A HN 0.844 nan 8.150 nan 0.000 0.460 97 V N 0.499 120.445 119.914 0.053 0.000 2.686 97 V HA 0.394 4.514 4.120 -0.000 0.000 0.306 97 V C -0.881 175.205 176.094 -0.013 0.000 1.065 97 V CA -0.487 61.833 62.300 0.034 0.000 0.894 97 V CB 1.873 33.727 31.823 0.051 0.000 1.004 97 V HN 0.304 nan 8.190 nan 0.000 0.424 98 I N 4.864 125.412 120.570 -0.038 0.000 2.354 98 I HA 0.376 4.546 4.170 -0.000 0.000 0.292 98 I C -0.092 175.970 176.117 -0.091 0.000 0.989 98 I CA -0.502 60.750 61.300 -0.081 0.000 1.188 98 I CB 1.637 39.579 38.000 -0.097 0.000 1.342 98 I HN 0.403 nan 8.210 nan 0.000 0.457 99 L N 7.097 128.251 121.223 -0.116 0.000 2.391 99 L HA 0.481 4.821 4.340 -0.000 0.000 0.249 99 L C 0.558 177.333 176.870 -0.158 0.000 1.308 99 L CA -0.116 54.646 54.840 -0.129 0.000 1.209 99 L CB -0.829 41.130 42.059 -0.166 0.000 1.401 99 L HN 0.859 nan 8.230 nan 0.000 0.416 100 G N 1.777 110.488 108.800 -0.149 0.000 2.328 100 G HA2 0.292 4.252 3.960 -0.000 0.000 0.295 100 G HA3 0.292 4.252 3.960 -0.000 0.000 0.295 100 G C -3.326 171.489 174.900 -0.142 0.000 1.413 100 G CA -0.800 44.193 45.100 -0.179 0.000 0.817 100 G HN -0.037 nan 8.290 nan 0.000 0.546 101 P HA 0.378 nan 4.420 nan 0.000 0.274 101 P C -0.017 177.115 177.300 -0.281 0.000 1.237 101 P CA 0.025 63.016 63.100 -0.182 0.000 0.793 101 P CB 0.673 32.382 31.700 0.015 0.000 0.977 102 T N 0.381 114.686 114.554 -0.415 0.000 2.845 102 T HA 0.417 4.767 4.350 -0.000 0.000 0.288 102 T C 0.399 174.847 174.700 -0.421 0.000 0.980 102 T CA -0.006 61.839 62.100 -0.426 0.000 1.071 102 T CB 0.279 68.899 68.868 -0.414 0.000 0.941 102 T HN 0.405 nan 8.240 nan 0.000 0.487 103 T N 2.823 117.213 114.554 -0.273 0.000 4.003 103 T HA 0.252 4.602 4.350 -0.000 0.000 0.239 103 T C -0.182 174.514 174.700 -0.007 0.000 0.992 103 T CA -0.607 61.389 62.100 -0.173 0.000 1.317 103 T CB -0.721 68.041 68.868 -0.177 0.000 0.940 103 T HN 0.559 nan 8.240 nan 0.000 0.593 104 N N 1.439 120.187 118.700 0.080 0.000 2.381 104 N HA 0.501 5.241 4.740 -0.000 0.000 0.254 104 N C -0.170 175.449 175.510 0.182 0.000 1.264 104 N CA -0.403 52.775 53.050 0.213 0.000 0.942 104 N CB 0.387 39.006 38.487 0.221 0.000 1.190 104 N HN 0.243 nan 8.380 nan 0.000 0.495 105 M N 1.186 120.951 119.600 0.275 0.000 2.294 105 M HA 0.210 4.690 4.480 -0.000 0.000 0.335 105 M C -0.751 175.683 176.300 0.224 0.000 1.079 105 M CA -0.706 54.731 55.300 0.229 0.000 0.982 105 M CB 1.347 34.083 32.600 0.226 0.000 1.651 105 M HN 0.370 nan 8.290 nan 0.000 0.437 106 Q N 2.156 122.050 119.800 0.157 0.000 2.962 106 Q HA 0.045 4.385 4.340 -0.000 0.000 0.251 106 Q C 1.271 177.342 176.000 0.119 0.000 1.380 106 Q CA 0.042 55.931 55.803 0.144 0.000 0.926 106 Q CB -0.553 28.248 28.738 0.106 0.000 1.704 106 Q HN 0.505 nan 8.270 nan 0.000 0.563 107 R N -0.621 119.982 120.500 0.173 0.000 2.120 107 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 107 R C 0.638 176.921 176.300 -0.029 0.000 1.123 107 R CA 1.171 57.333 56.100 0.104 0.000 0.975 107 R CB 0.081 30.453 30.300 0.120 0.000 0.866 107 R HN 0.328 nan 8.270 nan 0.000 0.446 108 G N 0.026 108.733 108.800 -0.155 0.000 2.730 108 G HA2 0.399 4.359 3.960 -0.000 0.000 0.289 108 G HA3 0.399 4.359 3.960 -0.000 0.000 0.289 108 G C -2.403 172.229 174.900 -0.446 0.000 1.341 108 G CA -1.468 43.354 45.100 -0.463 0.000 0.932 108 G HN -0.099 nan 8.290 nan 0.000 0.481 109 P HA 0.103 nan 4.420 nan 0.000 0.245 109 P C 1.156 178.327 177.300 -0.215 0.000 1.206 109 P CA 0.226 63.178 63.100 -0.247 0.000 0.781 109 P CB 0.448 31.998 31.700 -0.249 0.000 0.994 110 L N -0.803 120.188 121.223 -0.387 0.000 2.592 110 L HA 0.227 4.567 4.340 -0.000 0.000 0.227 110 L C 1.347 178.378 176.870 0.268 0.000 1.127 110 L CA -0.262 54.534 54.840 -0.074 0.000 0.884 110 L CB -0.641 41.385 42.059 -0.054 0.000 1.065 110 L HN -0.050 nan 8.230 nan 0.000 0.457 111 G N -0.327 108.689 108.800 0.359 0.000 2.380 111 G HA2 0.204 4.164 3.960 -0.000 0.000 0.242 111 G HA3 0.204 4.164 3.960 -0.000 0.000 0.242 111 G C 1.143 176.234 174.900 0.319 0.000 1.298 111 G CA 0.187 45.572 45.100 0.474 0.000 0.878 111 G HN 0.297 nan 8.290 nan 0.000 0.542 112 G N 1.386 110.348 108.800 0.271 0.000 2.475 112 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 112 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 112 G C 1.410 176.510 174.900 0.333 0.000 1.125 112 G CA 0.403 45.641 45.100 0.230 0.000 0.755 112 G HN 0.615 nan 8.290 nan 0.000 0.565 113 R N -0.020 120.608 120.500 0.213 0.000 2.629 113 R HA 0.213 4.553 4.340 -0.000 0.000 0.386 113 R C 2.236 178.444 176.300 -0.153 0.000 1.071 113 R CA 0.241 56.323 56.100 -0.031 0.000 1.104 113 R CB 0.632 30.899 30.300 -0.055 0.000 1.370 113 R HN 0.238 nan 8.270 nan 0.000 0.574 114 G N 1.640 110.493 108.800 0.088 0.000 2.469 114 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.219 114 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.219 114 G C 1.279 176.185 174.900 0.010 0.000 1.150 114 G CA 0.968 46.116 45.100 0.080 0.000 0.763 114 G HN 0.457 nan 8.290 nan 0.000 0.561 115 F N 1.116 121.139 119.950 0.122 0.000 2.250 115 F HA 0.013 4.540 4.527 -0.001 0.000 0.301 115 F C 2.061 177.887 175.800 0.043 0.000 1.077 115 F CA 1.687 59.767 58.000 0.134 0.000 1.348 115 F CB -0.342 38.826 39.000 0.279 0.000 1.040 115 F HN 0.330 nan 8.300 nan 0.000 0.509 116 E N 0.491 119.976 120.200 -1.191 0.000 2.170 116 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 116 E C 0.832 177.077 176.600 -0.592 0.000 0.981 116 E CA 0.406 56.245 56.400 -0.934 0.000 0.830 116 E CB 0.150 29.227 29.700 -1.038 0.000 0.775 116 E HN 0.463 nan 8.360 nan 0.000 0.470 117 S N -0.619 114.794 115.700 -0.478 0.000 2.646 117 S HA 0.207 4.677 4.470 -0.000 0.000 0.273 117 S C 0.502 174.824 174.600 -0.464 0.000 1.168 117 S CA -0.763 57.149 58.200 -0.480 0.000 1.013 117 S CB 0.313 63.383 63.200 -0.217 0.000 1.098 117 S HN 0.133 nan 8.310 nan 0.000 0.544 118 F N 0.896 120.766 119.950 -0.133 0.000 2.222 118 F HA 0.348 4.875 4.527 -0.000 0.000 0.285 118 F C 1.461 177.197 175.800 -0.107 0.000 1.068 118 F CA 0.486 58.397 58.000 -0.149 0.000 1.265 118 F CB -0.162 38.740 39.000 -0.164 0.000 1.087 118 F HN 0.472 nan 8.300 nan 0.000 0.511 119 S N -1.084 114.712 115.700 0.161 0.000 2.552 119 S HA 0.185 4.655 4.470 -0.000 0.000 0.272 119 S C 0.305 174.998 174.600 0.154 0.000 1.150 119 S CA -0.426 57.874 58.200 0.167 0.000 0.849 119 S CB 0.931 64.233 63.200 0.170 0.000 1.113 119 S HN 0.400 nan 8.310 nan 0.000 0.458 120 E N 1.293 121.607 120.200 0.189 0.000 2.268 120 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 120 E C 0.067 176.691 176.600 0.041 0.000 0.995 120 E CA 0.730 57.202 56.400 0.118 0.000 0.836 120 E CB -0.194 29.600 29.700 0.155 0.000 0.763 120 E HN 0.548 nan 8.360 nan 0.000 0.491 121 D N 1.966 122.408 120.400 0.070 0.000 2.317 121 D HA 0.056 4.696 4.640 -0.000 0.000 0.252 121 D C -1.459 174.886 176.300 0.074 0.000 1.174 121 D CA -2.355 51.661 54.000 0.028 0.000 0.866 121 D CB 1.553 42.356 40.800 0.005 0.000 1.127 121 D HN -0.153 nan 8.370 nan 0.000 0.467 122 P HA -0.155 nan 4.420 nan 0.000 0.221 122 P C 1.089 178.461 177.300 0.120 0.000 1.150 122 P CA 0.737 63.881 63.100 0.074 0.000 0.800 122 P CB 0.039 31.782 31.700 0.071 0.000 0.787 123 Y N 1.181 121.526 120.300 0.074 0.000 2.145 123 Y HA -0.157 4.393 4.550 0.000 0.000 0.286 123 Y C 2.331 178.293 175.900 0.103 0.000 1.145 123 Y CA 1.258 59.418 58.100 0.100 0.000 1.148 123 Y CB -0.976 37.574 38.460 0.150 0.000 0.981 123 Y HN -0.216 nan 8.280 nan 0.000 0.507 124 L N 0.351 121.636 121.223 0.103 0.000 2.056 124 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 124 L C 2.366 179.102 176.870 -0.223 0.000 1.078 124 L CA 2.046 56.815 54.840 -0.119 0.000 0.749 124 L CB -1.329 40.621 42.059 -0.182 0.000 0.901 124 L HN 0.207 nan 8.230 nan 0.000 0.433 125 A N -0.330 122.427 122.820 -0.104 0.000 1.877 125 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 125 A C 2.338 179.809 177.584 -0.189 0.000 1.186 125 A CA 1.631 53.622 52.037 -0.077 0.000 0.620 125 A CB -1.627 17.406 19.000 0.054 0.000 0.822 125 A HN 0.523 nan 8.150 nan 0.000 0.443 126 G N -1.056 107.636 108.800 -0.180 0.000 2.421 126 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 126 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 126 G C 1.506 176.228 174.900 -0.297 0.000 1.171 126 G CA 1.294 46.267 45.100 -0.212 0.000 0.775 126 G HN 0.325 nan 8.290 nan 0.000 0.543 127 M N 1.187 120.548 119.600 -0.398 0.000 2.132 127 M HA 0.116 4.596 4.480 -0.000 0.000 0.263 127 M C 3.016 179.101 176.300 -0.358 0.000 1.065 127 M CA 1.125 56.190 55.300 -0.391 0.000 1.122 127 M CB -1.319 31.025 32.600 -0.427 0.000 1.365 127 M HN 0.312 nan 8.290 nan 0.000 0.411 128 A N -0.115 122.416 122.820 -0.483 0.000 1.908 128 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 128 A C 2.358 179.474 177.584 -0.780 0.000 1.181 128 A CA 2.383 53.953 52.037 -0.777 0.000 0.627 128 A CB -1.191 16.987 19.000 -1.370 0.000 0.818 128 A HN 0.474 nan 8.150 nan 0.000 0.445 129 T N -0.631 113.551 114.554 -0.620 0.000 2.708 129 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 129 T C 2.301 176.886 174.700 -0.192 0.000 1.037 129 T CA 1.771 63.725 62.100 -0.244 0.000 1.146 129 T CB -0.385 68.402 68.868 -0.135 0.000 0.865 129 T HN 0.527 nan 8.240 nan 0.000 0.435 130 S N 0.616 116.193 115.700 -0.205 0.000 2.353 130 S HA -0.146 4.324 4.470 -0.000 0.000 0.222 130 S C 2.401 176.919 174.600 -0.136 0.000 1.035 130 S CA 1.800 59.916 58.200 -0.140 0.000 1.025 130 S CB -0.576 62.550 63.200 -0.124 0.000 0.902 130 S HN 0.465 nan 8.310 nan 0.000 0.440 131 S N 0.620 116.210 115.700 -0.183 0.000 2.359 131 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 131 S C 1.912 176.445 174.600 -0.111 0.000 1.035 131 S CA 1.544 59.654 58.200 -0.149 0.000 1.018 131 S CB -0.583 62.514 63.200 -0.170 0.000 0.876 131 S HN 0.423 nan 8.310 nan 0.000 0.448 132 V N 1.293 121.132 119.914 -0.125 0.000 2.427 132 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 132 V C 2.273 178.330 176.094 -0.062 0.000 1.051 132 V CA 1.248 63.503 62.300 -0.075 0.000 1.048 132 V CB -0.658 31.146 31.823 -0.031 0.000 0.666 132 V HN 0.331 nan 8.190 nan 0.000 0.456 133 V N -0.216 119.657 119.914 -0.067 0.000 2.407 133 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 133 V C 2.385 178.457 176.094 -0.036 0.000 1.055 133 V CA 1.909 64.176 62.300 -0.055 0.000 1.049 133 V CB -0.642 31.146 31.823 -0.059 0.000 0.662 133 V HN 0.554 nan 8.190 nan 0.000 0.455 134 K N 0.045 120.423 120.400 -0.036 0.000 2.155 134 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 134 K C 2.243 178.840 176.600 -0.004 0.000 1.052 134 K CA 1.191 57.468 56.287 -0.016 0.000 0.948 134 K CB -0.494 31.989 32.500 -0.027 0.000 0.728 134 K HN 0.538 nan 8.250 nan 0.000 0.448 135 G N 1.479 110.270 108.800 -0.014 0.000 2.414 135 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 135 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 135 G C 1.511 176.418 174.900 0.011 0.000 1.188 135 G CA 0.789 45.889 45.100 -0.000 0.000 0.783 135 G HN 0.105 nan 8.290 nan 0.000 0.537 136 M N 0.226 119.825 119.600 -0.002 0.000 2.080 136 M HA -0.103 4.377 4.480 -0.000 0.000 0.260 136 M C 2.709 179.044 176.300 0.057 0.000 1.068 136 M CA 1.620 56.927 55.300 0.011 0.000 1.109 136 M CB -0.414 32.174 32.600 -0.019 0.000 1.342 136 M HN 0.210 nan 8.290 nan 0.000 0.405 137 Q N -0.110 119.728 119.800 0.063 0.000 2.245 137 Q HA 0.016 4.355 4.340 -0.000 0.000 0.201 137 Q C 2.333 178.436 176.000 0.172 0.000 0.955 137 Q CA 1.078 56.975 55.803 0.157 0.000 0.870 137 Q CB -0.340 28.449 28.738 0.085 0.000 0.945 137 Q HN 0.702 nan 8.270 nan 0.000 0.461 138 G N 1.686 110.540 108.800 0.090 0.000 2.442 138 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 138 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 138 G C 1.259 176.193 174.900 0.057 0.000 1.141 138 G CA 0.591 45.729 45.100 0.064 0.000 0.763 138 G HN 0.175 nan 8.290 nan 0.000 0.554 139 E N 0.303 120.538 120.200 0.059 0.000 2.511 139 E HA 0.151 4.501 4.350 -0.000 0.000 0.196 139 E C 1.938 178.567 176.600 0.048 0.000 1.066 139 E CA 0.567 56.994 56.400 0.045 0.000 0.871 139 E CB -0.266 29.460 29.700 0.043 0.000 0.863 139 E HN 0.491 nan 8.360 nan 0.000 0.520 140 G N 0.789 109.645 108.800 0.093 0.000 2.176 140 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.253 140 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.253 140 G C 0.262 175.277 174.900 0.192 0.000 0.979 140 G CA 0.023 45.153 45.100 0.049 0.000 0.641 140 G HN 0.191 nan 8.290 nan 0.000 0.530 141 I N 1.681 122.386 120.570 0.225 0.000 2.365 141 I HA 0.630 4.800 4.170 -0.000 0.000 0.291 141 I C 1.030 177.287 176.117 0.233 0.000 1.004 141 I CA -0.786 60.650 61.300 0.225 0.000 1.311 141 I CB 0.858 38.916 38.000 0.096 0.000 1.401 141 I HN 0.334 nan 8.210 nan 0.000 0.491 142 A N 5.342 128.278 122.820 0.194 0.000 2.388 142 A HA 0.673 4.993 4.320 -0.000 0.000 0.257 142 A C 0.336 177.872 177.584 -0.080 0.000 1.095 142 A CA -0.284 51.686 52.037 -0.113 0.000 0.791 142 A CB 0.403 19.309 19.000 -0.157 0.000 1.029 142 A HN 0.887 nan 8.150 nan 0.000 0.489 143 A N 1.337 124.085 122.820 -0.119 0.000 2.269 143 A HA 0.784 5.104 4.320 -0.000 0.000 0.319 143 A C 0.113 177.665 177.584 -0.053 0.000 1.110 143 A CA -0.381 51.609 52.037 -0.078 0.000 0.847 143 A CB 0.765 19.720 19.000 -0.074 0.000 1.161 143 A HN 0.897 nan 8.150 nan 0.000 0.497 144 T N 1.204 115.728 114.554 -0.051 0.000 3.103 144 T HA 0.368 4.718 4.350 -0.000 0.000 0.352 144 T C -0.699 173.972 174.700 -0.048 0.000 1.048 144 T CA -0.317 61.771 62.100 -0.021 0.000 1.175 144 T CB 0.511 69.365 68.868 -0.023 0.000 1.029 144 T HN 0.470 nan 8.240 nan 0.000 0.498 145 V N 5.185 125.080 119.914 -0.032 0.000 2.521 145 V HA 0.330 4.450 4.120 -0.000 0.000 0.286 145 V C 0.562 176.687 176.094 0.052 0.000 1.034 145 V CA -0.136 62.128 62.300 -0.060 0.000 1.045 145 V CB -0.037 31.720 31.823 -0.111 0.000 0.974 145 V HN 0.786 nan 8.190 nan 0.000 0.480 146 K N 3.564 123.920 120.400 -0.073 0.000 2.444 146 K HA 0.703 5.023 4.320 -0.000 0.000 0.252 146 K C -1.416 175.126 176.600 -0.098 0.000 0.993 146 K CA -1.081 55.149 56.287 -0.095 0.000 0.847 146 K CB 2.009 34.237 32.500 -0.453 0.000 1.340 146 K HN 0.651 nan 8.250 nan 0.000 0.446 147 H N 0.476 119.730 119.070 0.307 0.000 2.587 147 H HA 0.277 4.833 4.556 -0.000 0.000 0.325 147 H C -1.574 173.904 175.328 0.250 0.000 1.012 147 H CA -0.589 55.591 56.048 0.219 0.000 1.213 147 H CB 0.878 30.676 29.762 0.059 0.000 1.431 147 H HN 0.442 nan 8.280 nan 0.000 0.492 148 F N 4.843 124.803 119.950 0.018 0.000 2.462 148 F HA 0.397 4.924 4.527 0.000 0.000 0.360 148 F C -0.480 175.204 175.800 -0.194 0.000 1.134 148 F CA -0.092 57.670 58.000 -0.397 0.000 1.148 148 F CB -0.110 38.569 39.000 -0.536 0.000 1.147 148 F HN 0.347 nan 8.300 nan 0.000 0.550 149 V N 4.789 124.439 119.914 -0.440 0.000 3.242 149 V HA 0.323 4.443 4.120 -0.000 0.000 0.298 149 V C -0.487 175.475 176.094 -0.219 0.000 1.352 149 V CA -0.963 61.061 62.300 -0.459 0.000 1.052 149 V CB 1.874 33.078 31.823 -1.030 0.000 1.101 149 V HN 0.813 nan 8.190 nan 0.000 0.446 150 C N 2.973 122.230 119.300 -0.071 0.000 4.454 150 C HA -0.106 4.354 4.460 -0.000 0.000 0.301 150 C C 0.688 175.667 174.990 -0.018 0.000 1.366 150 C CA 0.993 59.956 59.018 -0.093 0.000 2.016 150 C CB -2.678 24.854 27.740 -0.348 0.000 1.253 150 C HN 1.014 nan 8.230 nan 0.000 0.770 151 N N 1.160 119.892 118.700 0.054 0.000 3.188 151 N HA 0.205 4.945 4.740 -0.000 0.000 0.279 151 N C 0.529 176.088 175.510 0.082 0.000 1.213 151 N CA -0.056 53.025 53.050 0.052 0.000 1.138 151 N CB 0.158 38.678 38.487 0.056 0.000 1.417 151 N HN 0.496 nan 8.380 nan 0.000 0.526 152 D N 1.244 121.680 120.400 0.059 0.000 2.402 152 D HA 0.119 4.759 4.640 -0.000 0.000 0.216 152 D C 0.057 176.334 176.300 -0.038 0.000 1.128 152 D CA 0.058 54.105 54.000 0.079 0.000 0.833 152 D CB 0.464 41.338 40.800 0.124 0.000 0.971 152 D HN 0.412 nan 8.370 nan 0.000 0.503 153 L N -3.243 117.890 121.223 -0.149 0.000 2.630 153 L HA 0.516 4.856 4.340 -0.000 0.000 0.258 153 L C 0.316 177.130 176.870 -0.094 0.000 1.072 153 L CA -0.728 53.970 54.840 -0.236 0.000 0.885 153 L CB 1.383 42.982 42.059 -0.767 0.000 1.502 153 L HN -0.467 nan 8.230 nan 0.000 0.406 154 E N -0.707 119.472 120.200 -0.034 0.000 2.340 154 E HA 0.048 4.398 4.350 -0.000 0.000 0.198 154 E C -0.439 176.186 176.600 0.041 0.000 0.961 154 E CA 0.350 56.770 56.400 0.033 0.000 0.905 154 E CB 0.155 29.909 29.700 0.091 0.000 0.884 154 E HN 0.866 nan 8.360 nan 0.000 0.491 155 D N 2.182 122.591 120.400 0.015 0.000 2.536 155 D HA -0.131 4.509 4.640 -0.000 0.000 0.260 155 D C -0.070 176.235 176.300 0.009 0.000 1.270 155 D CA 0.824 54.836 54.000 0.021 0.000 0.934 155 D CB 0.015 40.799 40.800 -0.026 0.000 1.129 155 D HN 0.002 nan 8.370 nan 0.000 0.533 156 Q N 1.031 120.863 119.800 0.053 0.000 2.494 156 Q HA -0.348 3.992 4.340 -0.000 0.000 0.266 156 Q C 1.380 177.431 176.000 0.084 0.000 1.053 156 Q CA 0.995 56.837 55.803 0.065 0.000 1.029 156 Q CB -0.829 27.921 28.738 0.021 0.000 1.423 156 Q HN 0.767 nan 8.270 nan 0.000 0.516 157 R N -0.520 120.024 120.500 0.074 0.000 2.185 157 R HA -0.205 4.135 4.340 -0.000 0.000 0.247 157 R C 1.187 177.518 176.300 0.051 0.000 1.159 157 R CA 2.144 58.261 56.100 0.027 0.000 0.988 157 R CB -0.631 29.646 30.300 -0.038 0.000 0.871 157 R HN 0.374 nan 8.270 nan 0.000 0.458 158 F N 1.655 121.586 119.950 -0.031 0.000 2.407 158 F HA -0.079 4.448 4.527 -0.001 0.000 0.299 158 F C 2.450 178.333 175.800 0.139 0.000 1.097 158 F CA 1.421 59.471 58.000 0.084 0.000 1.422 158 F CB 0.218 39.257 39.000 0.064 0.000 1.067 158 F HN 0.269 nan 8.300 nan 0.000 0.539 159 S N -2.703 113.127 115.700 0.217 0.000 2.549 159 S HA 0.108 4.578 4.470 -0.000 0.000 0.225 159 S C 0.795 175.363 174.600 -0.053 0.000 1.039 159 S CA -0.326 57.917 58.200 0.073 0.000 0.942 159 S CB -0.321 62.915 63.200 0.061 0.000 0.881 159 S HN 0.034 nan 8.310 nan 0.000 0.503 160 S N 3.057 118.744 115.700 -0.022 0.000 2.546 160 S HA 0.225 4.695 4.470 -0.000 0.000 0.290 160 S C -0.225 174.308 174.600 -0.112 0.000 1.290 160 S CA -0.324 57.839 58.200 -0.061 0.000 1.069 160 S CB -0.285 62.886 63.200 -0.048 0.000 0.846 160 S HN 0.507 nan 8.310 nan 0.000 0.495 161 N N 3.578 122.208 118.700 -0.117 0.000 2.485 161 N HA 0.229 4.969 4.740 -0.000 0.000 0.243 161 N C -1.115 174.315 175.510 -0.133 0.000 0.987 161 N CA -0.272 52.688 53.050 -0.151 0.000 0.940 161 N CB 0.777 39.177 38.487 -0.145 0.000 1.122 161 N HN 0.409 nan 8.380 nan 0.000 0.509 162 S N 4.251 119.841 115.700 -0.183 0.000 2.430 162 S HA 0.316 4.786 4.470 -0.000 0.000 0.282 162 S C 0.510 174.867 174.600 -0.406 0.000 1.186 162 S CA -0.443 57.595 58.200 -0.271 0.000 1.060 162 S CB -0.069 62.888 63.200 -0.404 0.000 0.966 162 S HN 0.455 nan 8.310 nan 0.000 0.501 163 I N 4.082 124.468 120.570 -0.306 0.000 2.307 163 I HA 0.460 4.630 4.170 -0.000 0.000 0.289 163 I C -0.330 175.603 176.117 -0.308 0.000 1.021 163 I CA -0.510 60.646 61.300 -0.240 0.000 1.224 163 I CB 1.164 39.104 38.000 -0.100 0.000 1.376 163 I HN 0.296 nan 8.210 nan 0.000 0.470 164 V N 6.038 125.741 119.914 -0.352 0.000 2.851 164 V HA 0.414 4.534 4.120 -0.000 0.000 0.307 164 V C 0.082 176.060 176.094 -0.192 0.000 1.129 164 V CA -0.376 61.714 62.300 -0.350 0.000 0.932 164 V CB 2.556 33.942 31.823 -0.728 0.000 1.024 164 V HN 0.853 nan 8.190 nan 0.000 0.426 165 S N 3.485 119.133 115.700 -0.087 0.000 2.589 165 S HA 0.172 4.642 4.470 -0.000 0.000 0.265 165 S C 0.955 175.493 174.600 -0.102 0.000 1.342 165 S CA 0.842 59.005 58.200 -0.062 0.000 1.005 165 S CB 1.164 64.362 63.200 -0.004 0.000 0.909 165 S HN 1.016 nan 8.310 nan 0.000 0.555 166 E N 0.937 121.072 120.200 -0.108 0.000 2.106 166 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 166 E C 2.189 178.613 176.600 -0.293 0.000 0.984 166 E CA 1.289 57.567 56.400 -0.204 0.000 0.806 166 E CB -0.175 29.438 29.700 -0.147 0.000 0.750 166 E HN 0.718 nan 8.360 nan 0.000 0.458 167 R N -0.306 120.129 120.500 -0.108 0.000 2.073 167 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 167 R C 2.146 178.388 176.300 -0.097 0.000 1.134 167 R CA 1.511 57.571 56.100 -0.067 0.000 0.952 167 R CB -0.394 29.954 30.300 0.080 0.000 0.850 167 R HN 0.263 nan 8.270 nan 0.000 0.433 168 A N 1.016 123.823 122.820 -0.021 0.000 1.898 168 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 168 A C 2.044 179.711 177.584 0.138 0.000 1.181 168 A CA 0.992 53.069 52.037 0.066 0.000 0.620 168 A CB -0.580 18.525 19.000 0.176 0.000 0.819 168 A HN 0.370 nan 8.150 nan 0.000 0.442 169 L N -0.140 121.113 121.223 0.050 0.000 2.013 169 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 169 L C 2.477 179.334 176.870 -0.022 0.000 1.073 169 L CA 2.002 56.859 54.840 0.030 0.000 0.753 169 L CB -0.444 41.519 42.059 -0.160 0.000 0.890 169 L HN 0.260 nan 8.230 nan 0.000 0.432 170 R N -0.165 120.181 120.500 -0.257 0.000 2.075 170 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 170 R C 2.146 178.479 176.300 0.055 0.000 1.126 170 R CA 1.776 57.694 56.100 -0.304 0.000 0.963 170 R CB -0.574 29.034 30.300 -1.153 0.000 0.858 170 R HN 0.596 nan 8.270 nan 0.000 0.435 171 E N -0.497 119.725 120.200 0.037 0.000 2.340 171 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 171 E C 1.570 178.225 176.600 0.091 0.000 0.996 171 E CA 0.304 56.822 56.400 0.196 0.000 0.869 171 E CB 0.375 30.159 29.700 0.141 0.000 0.835 171 E HN 0.145 nan 8.360 nan 0.000 0.493 172 I N -0.808 119.721 120.570 -0.069 0.000 3.366 172 I HA -0.023 4.147 4.170 -0.000 0.000 0.267 172 I C 1.636 177.561 176.117 -0.320 0.000 1.149 172 I CA 0.867 61.968 61.300 -0.332 0.000 1.436 172 I CB -0.919 36.592 38.000 -0.815 0.000 1.379 172 I HN 0.037 nan 8.210 nan 0.000 0.460 173 Y N 0.951 121.341 120.300 0.149 0.000 2.266 173 Y HA 0.162 4.712 4.550 -0.000 0.000 0.294 173 Y C 2.516 178.581 175.900 0.275 0.000 1.127 173 Y CA 0.690 58.897 58.100 0.179 0.000 1.140 173 Y CB -0.560 37.961 38.460 0.102 0.000 1.071 173 Y HN -0.104 nan 8.280 nan 0.000 0.525 174 L N 0.083 121.525 121.223 0.365 0.000 2.201 174 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 174 L C 2.300 179.521 176.870 0.584 0.000 1.105 174 L CA 1.359 56.483 54.840 0.474 0.000 0.775 174 L CB -0.232 42.061 42.059 0.389 0.000 0.913 174 L HN 0.215 nan 8.230 nan 0.000 0.440 175 E N 0.619 121.053 120.200 0.389 0.000 2.106 175 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 175 E C -0.719 175.987 176.600 0.178 0.000 0.984 175 E CA 1.081 57.653 56.400 0.286 0.000 0.806 175 E CB -0.788 29.065 29.700 0.254 0.000 0.750 175 E HN 0.286 nan 8.360 nan 0.000 0.458 176 P HA -0.105 nan 4.420 nan 0.000 0.221 176 P C 0.912 178.174 177.300 -0.062 0.000 1.150 176 P CA 1.059 64.159 63.100 0.001 0.000 0.800 176 P CB -0.154 31.507 31.700 -0.065 0.000 0.787 177 F N 0.553 120.563 119.950 0.100 0.000 2.146 177 F HA -0.035 4.491 4.527 -0.001 0.000 0.298 177 F C 2.989 178.693 175.800 -0.159 0.000 1.096 177 F CA 1.171 59.212 58.000 0.068 0.000 1.275 177 F CB -0.796 38.406 39.000 0.337 0.000 1.008 177 F HN -0.211 nan 8.300 nan 0.000 0.480 178 R N 0.872 121.301 120.500 -0.120 0.000 2.083 178 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 178 R C 2.173 178.188 176.300 -0.476 0.000 1.137 178 R CA 1.517 57.115 56.100 -0.836 0.000 0.951 178 R CB -0.598 29.294 30.300 -0.681 0.000 0.851 178 R HN 0.313 nan 8.270 nan 0.000 0.434 179 L N 0.318 121.399 121.223 -0.237 0.000 1.989 179 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 179 L C 2.791 179.565 176.870 -0.161 0.000 1.071 179 L CA 1.563 56.307 54.840 -0.160 0.000 0.749 179 L CB -0.750 41.263 42.059 -0.077 0.000 0.890 179 L HN 0.350 nan 8.230 nan 0.000 0.431 180 A N -0.405 122.320 122.820 -0.158 0.000 1.917 180 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 180 A C 2.340 179.842 177.584 -0.137 0.000 1.182 180 A CA 2.253 54.205 52.037 -0.141 0.000 0.633 180 A CB -0.958 17.941 19.000 -0.170 0.000 0.819 180 A HN 0.231 nan 8.150 nan 0.000 0.448 181 V N 0.175 119.968 119.914 -0.202 0.000 2.307 181 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 181 V C 2.569 178.572 176.094 -0.151 0.000 1.045 181 V CA 2.316 64.521 62.300 -0.159 0.000 1.024 181 V CB -0.606 31.082 31.823 -0.225 0.000 0.651 181 V HN 0.717 nan 8.190 nan 0.000 0.449 182 K N -0.872 119.341 120.400 -0.312 0.000 2.063 182 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 182 K C 2.054 178.410 176.600 -0.406 0.000 1.048 182 K CA 1.912 57.958 56.287 -0.402 0.000 0.928 182 K CB -0.151 31.988 32.500 -0.603 0.000 0.713 182 K HN 0.555 nan 8.250 nan 0.000 0.442 183 H N -1.986 117.016 119.070 -0.113 0.000 2.595 183 H HA 0.215 4.771 4.556 -0.000 0.000 0.265 183 H C 1.014 176.299 175.328 -0.072 0.000 0.953 183 H CA 0.998 56.986 56.048 -0.099 0.000 1.197 183 H CB 1.130 30.815 29.762 -0.128 0.000 1.438 183 H HN 0.362 nan 8.280 nan 0.000 0.531 184 A N 0.266 123.101 122.820 0.024 0.000 2.377 184 A HA 0.058 4.378 4.320 -0.000 0.000 0.209 184 A C 0.555 178.155 177.584 0.027 0.000 1.359 184 A CA 0.239 52.285 52.037 0.015 0.000 1.026 184 A CB 0.170 19.162 19.000 -0.014 0.000 1.224 184 A HN 0.267 nan 8.150 nan 0.000 0.528 185 N N 0.755 119.487 118.700 0.053 0.000 2.666 185 N HA -0.105 4.635 4.740 -0.000 0.000 0.274 185 N C -2.488 173.127 175.510 0.176 0.000 1.043 185 N CA 0.839 53.981 53.050 0.153 0.000 0.782 185 N CB -0.647 37.907 38.487 0.113 0.000 0.912 185 N HN 0.372 nan 8.380 nan 0.000 0.556 186 P HA 0.006 nan 4.420 nan 0.000 0.269 186 P C 1.026 178.466 177.300 0.234 0.000 1.209 186 P CA -0.377 62.800 63.100 0.128 0.000 0.776 186 P CB 0.875 32.619 31.700 0.074 0.000 0.876 187 V N 1.223 121.099 119.914 -0.064 0.000 2.427 187 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 187 V C 1.197 177.317 176.094 0.044 0.000 1.051 187 V CA 1.615 63.805 62.300 -0.182 0.000 1.048 187 V CB -0.402 31.068 31.823 -0.589 0.000 0.666 187 V HN 0.630 nan 8.190 nan 0.000 0.456 188 C N -0.781 118.618 119.300 0.165 0.000 2.779 188 C HA 0.732 5.192 4.460 -0.000 0.000 0.314 188 C C -0.213 174.957 174.990 0.300 0.000 1.231 188 C CA -1.036 58.144 59.018 0.270 0.000 1.652 188 C CB 1.643 29.450 27.740 0.112 0.000 2.198 188 C HN 0.273 nan 8.230 nan 0.000 0.483 189 I N 1.464 122.201 120.570 0.277 0.000 2.647 189 I HA 0.430 4.599 4.170 -0.000 0.000 0.295 189 I C -0.576 175.599 176.117 0.097 0.000 1.078 189 I CA -0.455 60.874 61.300 0.048 0.000 1.048 189 I CB 1.764 39.565 38.000 -0.333 0.000 1.239 189 I HN 0.562 nan 8.210 nan 0.000 0.421 190 M N 4.816 124.475 119.600 0.098 0.000 2.180 190 M HA 0.345 4.825 4.480 -0.000 0.000 0.350 190 M C -0.054 176.338 176.300 0.154 0.000 1.125 190 M CA -0.474 54.899 55.300 0.122 0.000 1.031 190 M CB 1.439 34.110 32.600 0.117 0.000 1.623 190 M HN 0.746 nan 8.290 nan 0.000 0.451 191 T N 2.212 116.843 114.554 0.128 0.000 2.899 191 T HA 0.626 4.976 4.350 -0.000 0.000 0.295 191 T C 0.266 175.003 174.700 0.061 0.000 1.033 191 T CA -0.890 61.287 62.100 0.128 0.000 1.084 191 T CB 1.027 69.955 68.868 0.101 0.000 0.979 191 T HN 0.745 nan 8.240 nan 0.000 0.532 192 A N 1.513 124.363 122.820 0.050 0.000 2.272 192 A HA 0.511 4.831 4.320 -0.000 0.000 0.275 192 A C 0.615 178.178 177.584 -0.034 0.000 1.096 192 A CA -0.721 51.313 52.037 -0.005 0.000 0.822 192 A CB -0.187 18.823 19.000 0.018 0.000 1.088 192 A HN 0.934 nan 8.150 nan 0.000 0.495 193 Y N 0.541 120.808 120.300 -0.054 0.000 2.395 193 Y HA -0.076 4.474 4.550 -0.000 0.000 0.293 193 Y C 1.648 177.612 175.900 0.107 0.000 1.123 193 Y CA 1.031 59.106 58.100 -0.042 0.000 1.227 193 Y CB -0.266 37.987 38.460 -0.345 0.000 1.012 193 Y HN 0.733 nan 8.280 nan 0.000 0.552 194 N N 1.124 119.933 118.700 0.181 0.000 2.364 194 N HA 0.106 4.846 4.740 -0.000 0.000 0.264 194 N C -0.652 174.854 175.510 -0.007 0.000 1.263 194 N CA -0.433 52.660 53.050 0.072 0.000 0.959 194 N CB 1.001 39.481 38.487 -0.010 0.000 1.204 194 N HN 0.064 nan 8.380 nan 0.000 0.550 195 K N -0.272 120.010 120.400 -0.196 0.000 2.098 195 K HA 0.483 4.803 4.320 -0.000 0.000 0.261 195 K C -0.805 175.658 176.600 -0.229 0.000 0.987 195 K CA -0.827 55.294 56.287 -0.276 0.000 0.916 195 K CB 1.615 33.869 32.500 -0.409 0.000 1.039 195 K HN 0.227 nan 8.250 nan 0.000 0.455 196 V N 3.251 123.025 119.914 -0.233 0.000 2.444 196 V HA 0.118 4.238 4.120 -0.000 0.000 0.294 196 V C -0.438 175.515 176.094 -0.235 0.000 1.022 196 V CA -0.921 61.218 62.300 -0.268 0.000 0.850 196 V CB 1.055 32.697 31.823 -0.302 0.000 0.992 196 V HN 0.840 nan 8.190 nan 0.000 0.426 197 N N 4.440 123.001 118.700 -0.232 0.000 2.725 197 N HA -0.212 4.528 4.740 -0.000 0.000 0.251 197 N C 1.106 176.522 175.510 -0.157 0.000 1.031 197 N CA 1.449 54.389 53.050 -0.183 0.000 0.720 197 N CB -1.019 37.363 38.487 -0.174 0.000 0.930 197 N HN 1.498 nan 8.380 nan 0.000 0.543 198 G N -1.171 107.528 108.800 -0.169 0.000 2.195 198 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.246 198 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.246 198 G C -0.187 174.603 174.900 -0.183 0.000 0.984 198 G CA 0.636 45.640 45.100 -0.160 0.000 0.633 198 G HN 0.689 nan 8.290 nan 0.000 0.525 199 E N 0.126 120.212 120.200 -0.191 0.000 2.234 199 E HA 0.610 4.960 4.350 -0.000 0.000 0.266 199 E C -0.108 176.384 176.600 -0.180 0.000 0.877 199 E CA -0.880 55.421 56.400 -0.166 0.000 0.758 199 E CB 0.579 30.217 29.700 -0.104 0.000 1.170 199 E HN 0.408 nan 8.360 nan 0.000 0.415 200 H N 3.382 122.373 119.070 -0.131 0.000 3.107 200 H HA -0.041 4.515 4.556 0.000 0.000 0.301 200 H C 0.813 176.115 175.328 -0.044 0.000 0.981 200 H CA 0.217 56.195 56.048 -0.116 0.000 1.443 200 H CB 0.491 30.164 29.762 -0.148 0.000 1.479 200 H HN 0.691 nan 8.280 nan 0.000 0.564 201 C N 1.832 121.177 119.300 0.076 0.000 2.391 201 C HA -0.238 4.222 4.460 -0.000 0.000 0.276 201 C C 2.701 177.731 174.990 0.065 0.000 1.217 201 C CA 1.723 60.745 59.018 0.008 0.000 1.766 201 C CB -1.000 26.718 27.740 -0.038 0.000 2.046 201 C HN 0.958 nan 8.230 nan 0.000 0.475 202 S N 0.847 116.627 115.700 0.133 0.000 2.595 202 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 202 S C 1.131 175.768 174.600 0.062 0.000 0.974 202 S CA 1.048 59.304 58.200 0.093 0.000 0.942 202 S CB -0.602 62.638 63.200 0.067 0.000 0.766 202 S HN 0.938 nan 8.310 nan 0.000 0.536 203 Q N -0.040 119.803 119.800 0.072 0.000 2.063 203 Q HA 0.362 4.702 4.340 -0.000 0.000 0.245 203 Q C -0.343 175.668 176.000 0.018 0.000 0.828 203 Q CA -0.305 55.518 55.803 0.033 0.000 1.089 203 Q CB 0.140 28.893 28.738 0.026 0.000 1.232 203 Q HN 0.245 nan 8.270 nan 0.000 0.445 204 S N 1.213 116.921 115.700 0.013 0.000 2.399 204 S HA 0.183 4.653 4.470 -0.000 0.000 0.301 204 S C 0.788 175.378 174.600 -0.017 0.000 1.093 204 S CA -0.420 57.769 58.200 -0.018 0.000 1.077 204 S CB 1.149 64.320 63.200 -0.047 0.000 0.980 204 S HN 0.493 nan 8.310 nan 0.000 0.494 205 K N 4.580 124.967 120.400 -0.022 0.000 2.063 205 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 205 K C 2.029 178.609 176.600 -0.032 0.000 1.048 205 K CA 1.837 58.112 56.287 -0.020 0.000 0.928 205 K CB -0.175 32.313 32.500 -0.020 0.000 0.713 205 K HN 0.682 nan 8.250 nan 0.000 0.442 206 K N 0.798 121.167 120.400 -0.052 0.000 2.032 206 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 206 K C 1.972 178.518 176.600 -0.090 0.000 1.048 206 K CA 1.686 57.928 56.287 -0.075 0.000 0.927 206 K CB -0.205 32.239 32.500 -0.092 0.000 0.712 206 K HN 0.177 nan 8.250 nan 0.000 0.441 207 L N 0.464 121.638 121.223 -0.083 0.000 2.023 207 L HA -0.067 4.272 4.340 -0.000 0.000 0.205 207 L C 2.435 179.349 176.870 0.073 0.000 1.073 207 L CA 0.973 55.787 54.840 -0.044 0.000 0.745 207 L CB -0.347 41.634 42.059 -0.129 0.000 0.900 207 L HN 0.208 nan 8.230 nan 0.000 0.435 208 L N -1.099 120.159 121.223 0.058 0.000 2.341 208 L HA -0.020 4.320 4.340 -0.000 0.000 0.214 208 L C 1.926 178.815 176.870 0.031 0.000 1.115 208 L CA 0.855 55.738 54.840 0.071 0.000 0.820 208 L CB 0.087 42.190 42.059 0.074 0.000 0.944 208 L HN 0.293 nan 8.230 nan 0.000 0.452 209 I N -1.608 118.962 120.570 -0.000 0.000 3.746 209 I HA -0.014 4.156 4.170 -0.000 0.000 0.262 209 I C 1.576 177.676 176.117 -0.027 0.000 1.153 209 I CA 0.140 61.439 61.300 -0.001 0.000 1.395 209 I CB 0.126 38.128 38.000 0.003 0.000 1.589 209 I HN -0.031 nan 8.210 nan 0.000 0.441 210 D N 1.727 122.101 120.400 -0.043 0.000 2.123 210 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 210 D C 2.071 178.313 176.300 -0.098 0.000 0.992 210 D CA 1.696 55.665 54.000 -0.052 0.000 0.833 210 D CB 0.051 40.819 40.800 -0.054 0.000 0.954 210 D HN 0.315 nan 8.370 nan 0.000 0.455 211 I N -0.237 120.220 120.570 -0.188 0.000 2.368 211 I HA -0.095 4.075 4.170 -0.000 0.000 0.238 211 I C 2.407 178.194 176.117 -0.550 0.000 1.076 211 I CA 0.223 61.271 61.300 -0.420 0.000 1.397 211 I CB -0.064 37.632 38.000 -0.507 0.000 1.141 211 I HN -0.080 nan 8.210 nan 0.000 0.430 212 L N 0.430 121.414 121.223 -0.398 0.000 2.012 212 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 212 L C 2.807 179.737 176.870 0.101 0.000 1.073 212 L CA 1.387 56.106 54.840 -0.201 0.000 0.748 212 L CB -0.452 41.548 42.059 -0.098 0.000 0.891 212 L HN 0.279 nan 8.230 nan 0.000 0.431 213 R N -0.554 119.985 120.500 0.064 0.000 2.051 213 R HA 0.011 4.351 4.340 -0.000 0.000 0.218 213 R C 1.804 178.158 176.300 0.090 0.000 1.188 213 R CA 0.914 57.075 56.100 0.102 0.000 0.992 213 R CB -0.991 29.346 30.300 0.062 0.000 0.883 213 R HN 0.245 nan 8.270 nan 0.000 0.444 214 D N 0.769 121.197 120.400 0.048 0.000 2.224 214 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 214 D C 1.603 177.959 176.300 0.093 0.000 0.965 214 D CA 0.920 54.954 54.000 0.057 0.000 0.852 214 D CB 0.268 41.087 40.800 0.032 0.000 0.947 214 D HN 0.377 nan 8.370 nan 0.000 0.494 215 E N -0.970 119.285 120.200 0.092 0.000 2.152 215 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 215 E C 1.253 178.090 176.600 0.396 0.000 0.934 215 E CA 0.077 56.589 56.400 0.187 0.000 0.869 215 E CB 0.203 29.971 29.700 0.113 0.000 0.842 215 E HN 0.135 nan 8.360 nan 0.000 0.472 216 W N 1.488 122.874 121.300 0.144 0.000 3.003 216 W HA 0.164 4.823 4.660 -0.001 0.000 0.257 216 W C 0.345 176.955 176.519 0.150 0.000 1.308 216 W CA 0.078 57.512 57.345 0.148 0.000 1.529 216 W CB 0.289 29.830 29.460 0.135 0.000 1.115 216 W HN 0.045 nan 8.180 nan 0.000 0.659 217 K N -1.515 119.088 120.400 0.338 0.000 3.020 217 K HA -0.268 4.052 4.320 -0.000 0.000 0.266 217 K C -0.154 176.607 176.600 0.269 0.000 1.067 217 K CA 1.071 57.496 56.287 0.230 0.000 0.780 217 K CB -2.398 30.198 32.500 0.160 0.000 1.220 217 K HN 0.338 nan 8.250 nan 0.000 0.483 218 W N 1.613 123.001 121.300 0.146 0.000 2.170 218 W HA 0.177 4.837 4.660 0.000 0.000 0.336 218 W C 0.857 177.402 176.519 0.044 0.000 1.283 218 W CA 0.332 57.735 57.345 0.096 0.000 1.224 218 W CB 0.583 30.123 29.460 0.133 0.000 1.132 218 W HN 0.104 nan 8.180 nan 0.000 0.571 219 D N 2.742 122.713 120.400 -0.714 0.000 2.563 219 D HA 0.206 4.846 4.640 -0.000 0.000 0.237 219 D C 0.661 176.420 176.300 -0.902 0.000 1.282 219 D CA 0.053 53.689 54.000 -0.606 0.000 0.816 219 D CB -0.184 40.439 40.800 -0.294 0.000 1.066 219 D HN 0.400 nan 8.370 nan 0.000 0.501 220 G N 0.139 107.807 108.800 -1.887 0.000 2.508 220 G HA2 0.404 4.364 3.960 -0.000 0.000 0.278 220 G HA3 0.404 4.364 3.960 -0.000 0.000 0.278 220 G C -0.277 174.083 174.900 -0.901 0.000 1.389 220 G CA -0.536 43.751 45.100 -1.355 0.000 1.050 220 G HN 0.205 nan 8.290 nan 0.000 0.522 221 M N -0.004 119.407 119.600 -0.314 0.000 2.364 221 M HA 0.554 5.034 4.480 -0.000 0.000 0.334 221 M C -1.391 175.018 176.300 0.182 0.000 1.107 221 M CA -0.637 54.628 55.300 -0.058 0.000 0.988 221 M CB 1.581 34.179 32.600 -0.005 0.000 1.673 221 M HN 0.241 nan 8.290 nan 0.000 0.441 222 L N 6.313 127.646 121.223 0.183 0.000 2.275 222 L HA 0.503 4.843 4.340 -0.000 0.000 0.288 222 L C -0.160 176.797 176.870 0.145 0.000 1.046 222 L CA -0.465 54.497 54.840 0.204 0.000 0.805 222 L CB 1.499 43.668 42.059 0.182 0.000 1.193 222 L HN 0.780 nan 8.230 nan 0.000 0.426 223 M N 1.438 121.125 119.600 0.144 0.000 2.644 223 M HA 0.644 5.124 4.480 -0.000 0.000 0.316 223 M C 0.000 176.368 176.300 0.113 0.000 1.200 223 M CA -0.594 54.794 55.300 0.148 0.000 0.944 223 M CB 1.994 34.676 32.600 0.137 0.000 1.691 223 M HN 0.481 nan 8.290 nan 0.000 0.471 224 S N -0.173 115.581 115.700 0.090 0.000 2.617 224 S HA 0.238 4.708 4.470 -0.000 0.000 0.269 224 S C -0.223 174.424 174.600 0.078 0.000 1.292 224 S CA -0.701 57.515 58.200 0.026 0.000 1.010 224 S CB 0.906 64.078 63.200 -0.047 0.000 0.944 224 S HN 0.814 nan 8.310 nan 0.000 0.536 225 D N 0.409 120.788 120.400 -0.035 0.000 2.368 225 D HA 0.012 4.652 4.640 -0.000 0.000 0.240 225 D C -0.308 176.106 176.300 0.190 0.000 1.169 225 D CA -0.138 53.814 54.000 -0.079 0.000 0.906 225 D CB 0.412 40.634 40.800 -0.965 0.000 1.187 225 D HN 0.653 nan 8.370 nan 0.000 0.435 226 W N 3.295 124.556 121.300 -0.064 0.000 2.591 226 W HA 0.000 4.659 4.660 -0.001 0.000 0.330 226 W C 0.455 177.129 176.519 0.259 0.000 1.435 226 W CA -0.476 56.882 57.345 0.023 0.000 1.350 226 W CB -0.257 29.313 29.460 0.183 0.000 1.434 226 W HN 0.540 nan 8.180 nan 0.000 0.553 227 F N 0.494 120.618 119.950 0.291 0.000 2.656 227 F HA -0.239 4.289 4.527 0.001 0.000 0.381 227 F C 1.652 177.577 175.800 0.207 0.000 0.603 227 F CA 0.682 58.858 58.000 0.294 0.000 1.335 227 F CB -1.734 37.547 39.000 0.468 0.000 1.836 227 F HN 0.488 nan 8.300 nan 0.000 0.290 228 G N 1.075 110.012 108.800 0.229 0.000 3.452 228 G HA2 0.385 4.345 3.960 -0.000 0.000 0.258 228 G HA3 0.385 4.345 3.960 -0.000 0.000 0.258 228 G C 0.059 174.570 174.900 -0.649 0.000 1.305 228 G CA 0.751 45.770 45.100 -0.135 0.000 1.514 228 G HN 0.233 nan 8.290 nan 0.000 0.593 229 T N -0.505 113.586 114.554 -0.770 0.000 2.863 229 T HA 0.462 4.812 4.350 -0.000 0.000 0.285 229 T C -0.326 173.567 174.700 -1.345 0.000 1.009 229 T CA -0.329 61.276 62.100 -0.826 0.000 0.989 229 T CB 1.697 70.336 68.868 -0.381 0.000 1.004 229 T HN 0.233 nan 8.240 nan 0.000 0.455 230 Y N 0.305 120.034 120.300 -0.952 0.000 2.540 230 Y HA 0.285 4.836 4.550 0.001 0.000 0.257 230 Y C 1.312 176.307 175.900 -1.509 0.000 1.090 230 Y CA -0.603 56.823 58.100 -1.122 0.000 1.242 230 Y CB 0.734 38.794 38.460 -0.666 0.000 1.325 230 Y HN 0.747 nan 8.280 nan 0.000 0.544 231 T N -4.603 109.268 114.554 -1.139 0.000 2.864 231 T HA 0.371 4.721 4.350 -0.000 0.000 0.299 231 T C 0.512 175.082 174.700 -0.216 0.000 1.166 231 T CA -0.314 61.407 62.100 -0.631 0.000 1.007 231 T CB 2.054 70.807 68.868 -0.191 0.000 1.219 231 T HN -0.168 nan 8.240 nan 0.000 0.506 232 T N 0.663 115.348 114.554 0.218 0.000 2.781 232 T HA 0.213 4.563 4.350 -0.000 0.000 0.252 232 T C 2.244 177.006 174.700 0.103 0.000 1.039 232 T CA 1.157 63.411 62.100 0.257 0.000 1.147 232 T CB -0.632 68.416 68.868 0.300 0.000 0.865 232 T HN 0.804 nan 8.240 nan 0.000 0.423 233 A N 1.103 123.969 122.820 0.078 0.000 1.887 233 A HA 0.528 4.848 4.320 -0.000 0.000 0.212 233 A C 2.566 180.161 177.584 0.018 0.000 1.198 233 A CA 1.249 53.312 52.037 0.044 0.000 0.628 233 A CB -1.074 17.952 19.000 0.043 0.000 0.847 233 A HN 0.436 nan 8.150 nan 0.000 0.449 234 A N 0.351 123.175 122.820 0.007 0.000 1.917 234 A HA 0.063 4.383 4.320 -0.000 0.000 0.219 234 A C 2.476 180.054 177.584 -0.009 0.000 1.182 234 A CA 2.338 54.373 52.037 -0.003 0.000 0.633 234 A CB -1.087 17.909 19.000 -0.007 0.000 0.819 234 A HN 1.110 nan 8.150 nan 0.000 0.448 235 A N -0.520 122.284 122.820 -0.028 0.000 1.978 235 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 235 A C 2.118 179.697 177.584 -0.008 0.000 1.170 235 A CA 1.621 53.641 52.037 -0.030 0.000 0.636 235 A CB -0.533 18.420 19.000 -0.078 0.000 0.810 235 A HN 0.526 nan 8.150 nan 0.000 0.448 236 I N -0.971 119.599 120.570 -0.000 0.000 2.277 236 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 236 I C 2.463 178.584 176.117 0.007 0.000 1.094 236 I CA 1.538 62.842 61.300 0.007 0.000 1.393 236 I CB -0.160 37.849 38.000 0.014 0.000 1.078 236 I HN 0.342 nan 8.210 nan 0.000 0.417 237 K N 0.954 121.358 120.400 0.006 0.000 2.097 237 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 237 K C 1.336 177.938 176.600 0.004 0.000 1.049 237 K CA 1.598 57.887 56.287 0.004 0.000 0.933 237 K CB 0.043 32.544 32.500 0.002 0.000 0.717 237 K HN 0.240 nan 8.250 nan 0.000 0.442 238 N N -0.800 117.902 118.700 0.004 0.000 2.336 238 N HA 0.079 4.819 4.740 -0.000 0.000 0.189 238 N C 0.445 175.963 175.510 0.014 0.000 1.113 238 N CA 0.936 53.989 53.050 0.005 0.000 0.858 238 N CB 1.372 39.860 38.487 0.002 0.000 0.970 238 N HN 0.478 nan 8.380 nan 0.000 0.471 239 G N 0.108 108.919 108.800 0.018 0.000 2.227 239 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.168 239 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.168 239 G C -0.382 174.542 174.900 0.041 0.000 1.006 239 G CA -0.489 44.629 45.100 0.030 0.000 0.684 239 G HN 0.239 nan 8.290 nan 0.000 0.489 240 L N 2.086 123.328 121.223 0.032 0.000 2.325 240 L HA 0.530 4.870 4.340 -0.000 0.000 0.284 240 L C 1.043 177.932 176.870 0.031 0.000 1.089 240 L CA 0.010 54.871 54.840 0.036 0.000 0.836 240 L CB 0.505 42.572 42.059 0.014 0.000 1.184 240 L HN 0.133 nan 8.230 nan 0.000 0.444 241 D N 4.555 124.984 120.400 0.048 0.000 2.120 241 D HA 0.027 4.667 4.640 -0.000 0.000 0.202 241 D C 0.393 176.711 176.300 0.030 0.000 0.972 241 D CA 1.423 55.445 54.000 0.037 0.000 0.837 241 D CB 0.577 41.402 40.800 0.042 0.000 0.989 241 D HN 0.455 nan 8.370 nan 0.000 0.469 242 I N 0.491 121.091 120.570 0.049 0.000 2.569 242 I HA 0.097 4.266 4.170 -0.000 0.000 0.290 242 I C -1.074 175.053 176.117 0.016 0.000 1.088 242 I CA -0.736 60.580 61.300 0.027 0.000 1.047 242 I CB 2.702 40.746 38.000 0.074 0.000 1.237 242 I HN -0.272 nan 8.210 nan 0.000 0.421 243 E N 7.012 127.152 120.200 -0.099 0.000 2.200 243 E HA 0.331 4.681 4.350 -0.000 0.000 0.283 243 E C -1.863 174.514 176.600 -0.372 0.000 1.015 243 E CA -0.350 55.959 56.400 -0.152 0.000 0.819 243 E CB 0.928 30.555 29.700 -0.122 0.000 1.081 243 E HN 0.448 nan 8.360 nan 0.000 0.397 244 F N 5.356 124.966 119.950 -0.567 0.000 2.522 244 F HA 0.457 4.984 4.527 -0.001 0.000 0.324 244 F C -1.946 173.140 175.800 -1.189 0.000 1.077 244 F CA -1.966 55.396 58.000 -1.064 0.000 0.944 244 F CB 2.017 39.909 39.000 -1.846 0.000 1.175 244 F HN 0.440 nan 8.300 nan 0.000 0.468 245 P HA 0.309 nan 4.420 nan 0.000 0.281 245 P C -0.495 176.280 177.300 -0.876 0.000 1.281 245 P CA -0.392 61.984 63.100 -1.206 0.000 0.811 245 P CB 0.875 31.678 31.700 -1.494 0.000 1.154 246 G N -0.050 108.304 108.800 -0.744 0.000 2.562 246 G HA2 0.488 4.448 3.960 -0.000 0.000 0.275 246 G HA3 0.488 4.448 3.960 -0.000 0.000 0.275 246 G C -2.482 172.138 174.900 -0.466 0.000 1.196 246 G CA -1.429 43.373 45.100 -0.496 0.000 0.908 246 G HN 0.360 nan 8.290 nan 0.000 0.524 247 P HA 0.153 nan 4.420 nan 0.000 0.271 247 P C 0.481 177.653 177.300 -0.213 0.000 1.218 247 P CA -0.193 62.779 63.100 -0.213 0.000 0.780 247 P CB 0.645 32.266 31.700 -0.132 0.000 0.901 248 T N 1.615 116.050 114.554 -0.198 0.000 2.906 248 T HA 0.020 4.370 4.350 -0.000 0.000 0.320 248 T C 1.259 175.875 174.700 -0.139 0.000 1.088 248 T CA 0.367 62.366 62.100 -0.168 0.000 1.120 248 T CB 0.079 68.865 68.868 -0.136 0.000 1.000 248 T HN 0.361 nan 8.240 nan 0.000 0.550 249 R N 1.679 122.101 120.500 -0.129 0.000 2.215 249 R HA 0.189 4.529 4.340 -0.000 0.000 0.190 249 R C 1.728 177.795 176.300 -0.387 0.000 0.968 249 R CA 0.344 56.279 56.100 -0.276 0.000 1.122 249 R CB 0.139 30.226 30.300 -0.356 0.000 1.151 249 R HN 0.680 nan 8.270 nan 0.000 0.582 250 W N 0.419 121.690 121.300 -0.048 0.000 3.077 250 W HA 0.218 4.877 4.660 -0.001 0.000 0.266 250 W C 0.878 177.374 176.519 -0.037 0.000 1.300 250 W CA -0.015 57.310 57.345 -0.034 0.000 1.586 250 W CB 0.589 30.026 29.460 -0.038 0.000 1.103 250 W HN -0.200 nan 8.180 nan 0.000 0.652 251 R N 0.176 120.728 120.500 0.088 0.000 2.668 251 R HA 0.101 4.441 4.340 -0.000 0.000 0.435 251 R C 0.518 176.810 176.300 -0.014 0.000 1.059 251 R CA -0.025 56.101 56.100 0.044 0.000 1.073 251 R CB 0.168 30.485 30.300 0.028 0.000 1.401 251 R HN -0.111 nan 8.270 nan 0.000 0.590 252 T N -2.252 112.284 114.554 -0.031 0.000 2.795 252 T HA -0.007 4.343 4.350 -0.000 0.000 0.314 252 T C 1.302 175.989 174.700 -0.023 0.000 1.069 252 T CA -0.423 61.651 62.100 -0.045 0.000 1.071 252 T CB 1.607 70.439 68.868 -0.060 0.000 0.988 252 T HN 0.288 nan 8.240 nan 0.000 0.543 253 R N 0.857 121.341 120.500 -0.027 0.000 2.105 253 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 253 R C 2.422 178.722 176.300 -0.000 0.000 1.135 253 R CA 1.635 57.727 56.100 -0.014 0.000 0.967 253 R CB -0.991 29.297 30.300 -0.021 0.000 0.861 253 R HN 0.830 nan 8.270 nan 0.000 0.442 254 A N 0.984 123.798 122.820 -0.012 0.000 1.854 254 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 254 A C 2.202 179.806 177.584 0.034 0.000 1.192 254 A CA 1.120 53.153 52.037 -0.007 0.000 0.611 254 A CB -0.523 18.447 19.000 -0.049 0.000 0.832 254 A HN 0.329 nan 8.150 nan 0.000 0.442 255 L N -0.378 120.858 121.223 0.022 0.000 2.012 255 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 255 L C 2.519 179.446 176.870 0.095 0.000 1.073 255 L CA 1.416 56.295 54.840 0.065 0.000 0.748 255 L CB -0.723 41.366 42.059 0.049 0.000 0.891 255 L HN 0.255 nan 8.230 nan 0.000 0.431 256 V N -0.460 119.492 119.914 0.064 0.000 2.283 256 V HA -0.216 3.904 4.120 -0.000 0.000 0.243 256 V C 2.666 178.792 176.094 0.053 0.000 1.039 256 V CA 1.884 64.217 62.300 0.055 0.000 1.016 256 V CB -0.582 31.261 31.823 0.032 0.000 0.650 256 V HN 0.622 nan 8.190 nan 0.000 0.449 257 S N -0.243 115.489 115.700 0.054 0.000 2.423 257 S HA -0.280 4.190 4.470 -0.000 0.000 0.231 257 S C 1.956 176.602 174.600 0.076 0.000 1.014 257 S CA 1.743 59.972 58.200 0.049 0.000 0.965 257 S CB -0.685 62.537 63.200 0.037 0.000 0.785 257 S HN 0.740 nan 8.310 nan 0.000 0.495 258 H N 1.624 120.695 119.070 0.001 0.000 2.389 258 H HA 0.139 4.694 4.556 -0.000 0.000 0.299 258 H C 2.142 177.475 175.328 0.009 0.000 1.081 258 H CA 1.750 57.800 56.048 0.003 0.000 1.345 258 H CB -0.552 29.211 29.762 0.002 0.000 1.393 258 H HN 0.412 nan 8.280 nan 0.000 0.520 259 S N -0.286 115.419 115.700 0.008 0.000 2.368 259 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 259 S C 2.238 176.803 174.600 -0.059 0.000 1.029 259 S CA 1.168 59.344 58.200 -0.039 0.000 0.988 259 S CB -0.190 63.027 63.200 0.029 0.000 0.838 259 S HN 0.331 nan 8.310 nan 0.000 0.462 260 L N 1.673 122.880 121.223 -0.028 0.000 1.988 260 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 260 L C 2.154 178.997 176.870 -0.045 0.000 1.071 260 L CA 0.990 55.815 54.840 -0.026 0.000 0.744 260 L CB -0.722 41.333 42.059 -0.006 0.000 0.893 260 L HN 0.228 nan 8.230 nan 0.000 0.433 261 N N -0.241 118.429 118.700 -0.049 0.000 2.272 261 N HA -0.142 4.598 4.740 -0.000 0.000 0.185 261 N C 1.693 177.145 175.510 -0.096 0.000 1.014 261 N CA 1.491 54.509 53.050 -0.054 0.000 0.870 261 N CB -0.298 38.176 38.487 -0.023 0.000 0.975 261 N HN 0.234 nan 8.380 nan 0.000 0.433 262 S N -0.049 115.547 115.700 -0.173 0.000 2.575 262 S HA 0.199 4.669 4.470 -0.000 0.000 0.215 262 S C 0.354 174.889 174.600 -0.109 0.000 0.966 262 S CA -0.363 57.725 58.200 -0.186 0.000 0.911 262 S CB 0.475 63.469 63.200 -0.343 0.000 0.780 262 S HN 0.247 nan 8.310 nan 0.000 0.514 263 R N 1.061 121.514 120.500 -0.078 0.000 3.422 263 R HA -0.171 4.169 4.340 -0.000 0.000 0.267 263 R C -0.660 175.614 176.300 -0.044 0.000 1.074 263 R CA 0.518 56.589 56.100 -0.050 0.000 0.718 263 R CB -1.450 28.827 30.300 -0.038 0.000 1.157 263 R HN 0.352 nan 8.270 nan 0.000 0.440 264 E N 0.767 120.936 120.200 -0.051 0.000 2.073 264 E HA 0.190 4.540 4.350 -0.000 0.000 0.269 264 E C 0.393 176.986 176.600 -0.013 0.000 0.917 264 E CA -0.154 56.227 56.400 -0.031 0.000 0.757 264 E CB 0.651 30.327 29.700 -0.040 0.000 1.111 264 E HN 0.242 nan 8.360 nan 0.000 0.410 265 Q N 1.479 121.275 119.800 -0.007 0.000 2.755 265 Q HA -0.283 4.057 4.340 -0.000 0.000 0.190 265 Q C 0.396 176.396 176.000 -0.001 0.000 2.840 265 Q CA 2.061 57.864 55.803 0.000 0.000 0.265 265 Q CB -1.833 26.911 28.738 0.009 0.000 0.240 265 Q HN 0.737 nan 8.270 nan 0.000 0.447 266 I N -0.801 119.768 120.570 -0.001 0.000 2.797 266 I HA 0.766 4.936 4.170 -0.000 0.000 0.307 266 I C 0.211 176.325 176.117 -0.005 0.000 1.033 266 I CA -0.333 60.967 61.300 -0.000 0.000 1.071 266 I CB 2.115 40.119 38.000 0.006 0.000 1.255 266 I HN 0.145 nan 8.210 nan 0.000 0.445 267 T N -1.001 113.551 114.554 -0.004 0.000 2.940 267 T HA 0.336 4.686 4.350 -0.000 0.000 0.288 267 T C 1.131 175.829 174.700 -0.004 0.000 1.045 267 T CA 0.079 62.176 62.100 -0.006 0.000 1.018 267 T CB 1.473 70.338 68.868 -0.006 0.000 1.151 267 T HN 0.851 nan 8.240 nan 0.000 0.529 268 T N -1.571 112.980 114.554 -0.005 0.000 2.803 268 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 268 T C 1.552 176.250 174.700 -0.003 0.000 1.052 268 T CA 1.624 63.722 62.100 -0.004 0.000 1.136 268 T CB -0.717 68.148 68.868 -0.005 0.000 0.864 268 T HN 0.780 nan 8.240 nan 0.000 0.467 269 E N 1.179 121.377 120.200 -0.004 0.000 2.058 269 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 269 E C 1.904 178.503 176.600 -0.001 0.000 0.997 269 E CA 1.598 57.996 56.400 -0.003 0.000 0.801 269 E CB -0.150 29.548 29.700 -0.003 0.000 0.746 269 E HN 0.553 nan 8.360 nan 0.000 0.450 270 D N -0.048 120.352 120.400 -0.001 0.000 2.104 270 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 270 D C 2.115 178.416 176.300 0.002 0.000 0.994 270 D CA 1.182 55.183 54.000 0.001 0.000 0.830 270 D CB -0.348 40.454 40.800 0.002 0.000 0.959 270 D HN 0.129 nan 8.370 nan 0.000 0.452 271 V N 1.966 121.881 119.914 0.002 0.000 2.287 271 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 271 V C 2.033 178.127 176.094 0.000 0.000 1.053 271 V CA 1.916 64.217 62.300 0.002 0.000 1.027 271 V CB -0.461 31.363 31.823 0.001 0.000 0.646 271 V HN 0.057 nan 8.190 nan 0.000 0.447 272 D N -0.068 120.332 120.400 -0.001 0.000 2.097 272 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 272 D C 1.938 178.237 176.300 -0.001 0.000 0.989 272 D CA 1.461 55.460 54.000 -0.002 0.000 0.827 272 D CB -0.505 40.292 40.800 -0.004 0.000 0.966 272 D HN 0.406 nan 8.370 nan 0.000 0.456 273 D N 0.330 120.729 120.400 -0.001 0.000 2.172 273 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 273 D C 2.141 178.440 176.300 -0.002 0.000 0.999 273 D CA 0.847 54.846 54.000 -0.002 0.000 0.856 273 D CB -0.004 40.796 40.800 -0.001 0.000 0.934 273 D HN 0.135 nan 8.370 nan 0.000 0.453 274 R N 0.286 120.787 120.500 0.002 0.000 2.073 274 R HA 0.017 4.357 4.340 -0.000 0.000 0.229 274 R C 2.485 178.789 176.300 0.006 0.000 1.120 274 R CA 0.299 56.402 56.100 0.004 0.000 0.967 274 R CB -1.002 29.301 30.300 0.006 0.000 0.862 274 R HN 0.190 nan 8.270 nan 0.000 0.436 275 V N 1.475 121.392 119.914 0.006 0.000 2.295 275 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 275 V C 2.671 178.777 176.094 0.020 0.000 1.049 275 V CA 1.788 64.095 62.300 0.013 0.000 1.024 275 V CB -0.593 31.235 31.823 0.008 0.000 0.648 275 V HN 0.286 nan 8.190 nan 0.000 0.447 276 R N -0.241 120.266 120.500 0.012 0.000 2.096 276 R HA -0.238 4.102 4.340 -0.000 0.000 0.240 276 R C 2.451 178.756 176.300 0.009 0.000 1.139 276 R CA 1.876 57.984 56.100 0.014 0.000 0.952 276 R CB -0.192 30.108 30.300 0.000 0.000 0.854 276 R HN 0.476 nan 8.270 nan 0.000 0.436 277 Q N -0.184 119.609 119.800 -0.012 0.000 2.124 277 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 277 Q C 2.221 178.213 176.000 -0.015 0.000 0.977 277 Q CA 1.336 57.115 55.803 -0.040 0.000 0.850 277 Q CB -0.273 28.430 28.738 -0.058 0.000 0.901 277 Q HN 0.275 nan 8.270 nan 0.000 0.429 278 V N 1.168 121.093 119.914 0.019 0.000 2.358 278 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 278 V C 2.428 178.564 176.094 0.070 0.000 1.047 278 V CA 1.267 63.593 62.300 0.044 0.000 1.035 278 V CB -0.707 31.143 31.823 0.045 0.000 0.658 278 V HN 0.255 nan 8.190 nan 0.000 0.452 279 L N -0.410 120.873 121.223 0.101 0.000 2.129 279 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 279 L C 2.543 179.511 176.870 0.164 0.000 1.087 279 L CA 1.714 56.675 54.840 0.202 0.000 0.757 279 L CB -0.667 41.519 42.059 0.211 0.000 0.896 279 L HN 0.317 nan 8.230 nan 0.000 0.434 280 K N -0.698 119.744 120.400 0.070 0.000 2.103 280 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 280 K C 2.165 178.768 176.600 0.005 0.000 1.052 280 K CA 1.047 57.352 56.287 0.030 0.000 0.945 280 K CB -0.118 32.361 32.500 -0.034 0.000 0.722 280 K HN 0.202 nan 8.250 nan 0.000 0.443 281 M N 1.241 120.838 119.600 -0.005 0.000 2.099 281 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 281 M C 1.856 178.160 176.300 0.006 0.000 1.067 281 M CA 1.706 57.012 55.300 0.011 0.000 1.124 281 M CB -0.292 32.319 32.600 0.018 0.000 1.353 281 M HN 0.094 nan 8.290 nan 0.000 0.410 282 I N 0.528 121.057 120.570 -0.068 0.000 2.208 282 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 282 I C 2.505 178.258 176.117 -0.607 0.000 1.097 282 I CA 1.589 62.745 61.300 -0.240 0.000 1.363 282 I CB -0.700 37.195 38.000 -0.175 0.000 1.051 282 I HN 0.373 nan 8.210 nan 0.000 0.413 283 K N 0.974 120.963 120.400 -0.684 0.000 2.209 283 K HA -0.234 4.086 4.320 -0.000 0.000 0.204 283 K C 2.215 178.663 176.600 -0.254 0.000 1.048 283 K CA 1.385 57.274 56.287 -0.663 0.000 0.940 283 K CB -0.194 32.235 32.500 -0.118 0.000 0.729 283 K HN 0.213 nan 8.250 nan 0.000 0.451 284 F N 0.974 120.795 119.950 -0.215 0.000 2.113 284 F HA -0.191 4.336 4.527 0.001 0.000 0.297 284 F C 1.786 177.508 175.800 -0.129 0.000 1.103 284 F CA 1.276 59.200 58.000 -0.127 0.000 1.248 284 F CB -0.333 38.617 39.000 -0.083 0.000 0.999 284 F HN -0.210 nan 8.300 nan 0.000 0.475 285 V N -0.056 119.845 119.914 -0.023 0.000 2.233 285 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 285 V C 2.402 178.374 176.094 -0.204 0.000 1.050 285 V CA 1.914 64.164 62.300 -0.084 0.000 1.010 285 V CB -0.913 30.904 31.823 -0.009 0.000 0.637 285 V HN 0.293 nan 8.190 nan 0.000 0.444 286 V N 0.150 119.908 119.914 -0.260 0.000 2.343 286 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 286 V C 2.258 178.244 176.094 -0.181 0.000 1.051 286 V CA 2.249 64.418 62.300 -0.218 0.000 1.036 286 V CB -0.806 30.828 31.823 -0.315 0.000 0.654 286 V HN 0.551 nan 8.190 nan 0.000 0.451 287 D N 0.199 120.462 120.400 -0.228 0.000 2.221 287 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 287 D C 1.822 177.980 176.300 -0.238 0.000 0.982 287 D CA 1.104 54.988 54.000 -0.193 0.000 0.857 287 D CB -0.310 40.370 40.800 -0.200 0.000 0.934 287 D HN 0.453 nan 8.370 nan 0.000 0.475 288 N N -0.137 118.364 118.700 -0.332 0.000 2.280 288 N HA 0.086 4.826 4.740 -0.000 0.000 0.192 288 N C 1.682 177.089 175.510 -0.171 0.000 1.109 288 N CA -0.123 52.743 53.050 -0.307 0.000 0.855 288 N CB 0.694 38.884 38.487 -0.494 0.000 0.974 288 N HN 0.227 nan 8.380 nan 0.000 0.482 289 L N 1.265 122.410 121.223 -0.130 0.000 2.042 289 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 289 L C 2.576 179.415 176.870 -0.052 0.000 1.076 289 L CA 1.488 56.285 54.840 -0.072 0.000 0.749 289 L CB -0.329 41.700 42.059 -0.050 0.000 0.893 289 L HN 0.255 nan 8.230 nan 0.000 0.432 290 E N 0.716 120.883 120.200 -0.053 0.000 2.077 290 E HA -0.298 4.052 4.350 -0.000 0.000 0.193 290 E C 2.242 178.820 176.600 -0.037 0.000 0.989 290 E CA 1.544 57.922 56.400 -0.037 0.000 0.800 290 E CB -0.004 29.675 29.700 -0.034 0.000 0.746 290 E HN 0.306 nan 8.360 nan 0.000 0.452 291 K N -0.380 119.989 120.400 -0.052 0.000 2.097 291 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 291 K C 2.174 178.755 176.600 -0.033 0.000 1.050 291 K CA 1.787 58.047 56.287 -0.045 0.000 0.938 291 K CB -0.054 32.408 32.500 -0.063 0.000 0.718 291 K HN 0.333 nan 8.250 nan 0.000 0.442 292 T N -4.056 110.475 114.554 -0.039 0.000 3.031 292 T HA 0.156 4.506 4.350 -0.000 0.000 0.254 292 T C 1.456 176.150 174.700 -0.009 0.000 1.060 292 T CA 0.708 62.795 62.100 -0.021 0.000 1.135 292 T CB 0.162 69.016 68.868 -0.023 0.000 0.896 292 T HN 0.340 nan 8.240 nan 0.000 0.472 293 G N 1.485 110.278 108.800 -0.012 0.000 2.162 293 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 293 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 293 G C 0.094 174.996 174.900 0.004 0.000 0.976 293 G CA 0.146 45.244 45.100 -0.003 0.000 0.655 293 G HN 0.687 nan 8.290 nan 0.000 0.533 294 I N 0.591 121.163 120.570 0.003 0.000 2.710 294 I HA 0.233 4.403 4.170 -0.000 0.000 0.286 294 I C 0.703 176.831 176.117 0.019 0.000 1.181 294 I CA 0.264 61.572 61.300 0.015 0.000 1.430 294 I CB 1.001 39.012 38.000 0.018 0.000 1.367 294 I HN -0.066 nan 8.210 nan 0.000 0.577 295 V N 7.058 126.989 119.914 0.028 0.000 2.409 295 V HA 0.150 4.270 4.120 -0.000 0.000 0.291 295 V C 0.239 176.360 176.094 0.045 0.000 1.020 295 V CA -0.765 61.553 62.300 0.030 0.000 0.848 295 V CB 1.510 33.347 31.823 0.024 0.000 0.990 295 V HN 0.735 nan 8.190 nan 0.000 0.430 296 E N 4.617 124.844 120.200 0.045 0.000 2.502 296 E HA -0.118 4.231 4.350 -0.000 0.000 0.261 296 E C 0.762 177.394 176.600 0.054 0.000 0.974 296 E CA 0.271 56.707 56.400 0.060 0.000 0.936 296 E CB 0.078 29.808 29.700 0.050 0.000 0.926 296 E HN 0.733 nan 8.360 nan 0.000 0.459 297 N N 2.176 120.922 118.700 0.076 0.000 2.701 297 N HA -0.191 4.549 4.740 -0.000 0.000 0.252 297 N C -0.311 175.227 175.510 0.047 0.000 1.002 297 N CA 0.914 53.991 53.050 0.046 0.000 0.758 297 N CB -0.796 37.664 38.487 -0.044 0.000 0.937 297 N HN 0.596 nan 8.380 nan 0.000 0.538 298 G N -0.221 108.619 108.800 0.066 0.000 2.651 298 G HA2 0.384 4.344 3.960 -0.000 0.000 0.260 298 G HA3 0.384 4.344 3.960 -0.000 0.000 0.260 298 G C -2.075 172.852 174.900 0.045 0.000 1.216 298 G CA -0.720 44.408 45.100 0.046 0.000 0.913 298 G HN 0.298 nan 8.290 nan 0.000 0.535 299 P HA 0.248 nan 4.420 nan 0.000 0.274 299 P C -0.772 176.545 177.300 0.027 0.000 1.256 299 P CA -0.264 62.853 63.100 0.028 0.000 0.795 299 P CB 1.168 32.881 31.700 0.022 0.000 1.038 300 E N -0.169 120.045 120.200 0.023 0.000 2.165 300 E HA 0.389 4.739 4.350 -0.000 0.000 0.266 300 E C -0.312 176.301 176.600 0.021 0.000 0.889 300 E CA -0.554 55.855 56.400 0.015 0.000 0.756 300 E CB 1.284 30.985 29.700 0.001 0.000 1.131 300 E HN 0.413 nan 8.360 nan 0.000 0.411 301 S N 0.630 116.347 115.700 0.027 0.000 2.689 301 S HA 0.382 4.852 4.470 -0.000 0.000 0.306 301 S C 0.531 175.167 174.600 0.060 0.000 1.104 301 S CA -0.751 57.469 58.200 0.034 0.000 0.973 301 S CB 1.555 64.771 63.200 0.025 0.000 1.121 301 S HN 0.454 nan 8.310 nan 0.000 0.523 302 T N -1.467 113.125 114.554 0.063 0.000 3.284 302 T HA 0.207 4.557 4.350 -0.000 0.000 0.249 302 T C 1.320 176.019 174.700 -0.000 0.000 0.944 302 T CA 0.096 62.253 62.100 0.096 0.000 0.919 302 T CB -0.923 67.992 68.868 0.078 0.000 1.089 302 T HN 0.758 nan 8.240 nan 0.000 0.576 303 S N 1.024 116.734 115.700 0.017 0.000 2.474 303 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 303 S C 1.599 176.188 174.600 -0.018 0.000 0.997 303 S CA 0.834 59.029 58.200 -0.009 0.000 0.949 303 S CB -0.627 62.577 63.200 0.006 0.000 0.766 303 S HN 0.567 nan 8.310 nan 0.000 0.517 304 N N 1.823 120.533 118.700 0.016 0.000 2.270 304 N HA 0.115 4.855 4.740 -0.000 0.000 0.198 304 N C 0.028 175.522 175.510 -0.027 0.000 1.117 304 N CA -0.129 52.941 53.050 0.033 0.000 0.845 304 N CB -0.315 38.233 38.487 0.102 0.000 0.980 304 N HN 0.322 nan 8.380 nan 0.000 0.486 305 N N 0.899 119.446 118.700 -0.256 0.000 2.744 305 N HA -0.015 4.725 4.740 -0.000 0.000 0.290 305 N C -0.924 174.431 175.510 -0.258 0.000 1.206 305 N CA 0.124 52.810 53.050 -0.607 0.000 1.119 305 N CB -0.446 37.331 38.487 -1.184 0.000 1.449 305 N HN 0.248 nan 8.380 nan 0.000 0.514 306 T N -1.451 113.039 114.554 -0.106 0.000 2.910 306 T HA 0.307 4.657 4.350 -0.000 0.000 0.287 306 T C 0.992 175.685 174.700 -0.013 0.000 1.050 306 T CA -0.856 61.212 62.100 -0.053 0.000 1.011 306 T CB 1.758 70.609 68.868 -0.029 0.000 1.195 306 T HN 0.153 nan 8.240 nan 0.000 0.540 307 K N 0.092 120.484 120.400 -0.013 0.000 2.097 307 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 307 K C 1.916 178.522 176.600 0.010 0.000 1.050 307 K CA 1.296 57.582 56.287 -0.001 0.000 0.938 307 K CB -0.164 32.328 32.500 -0.012 0.000 0.718 307 K HN 0.799 nan 8.250 nan 0.000 0.442 308 E N -0.174 120.029 120.200 0.006 0.000 2.051 308 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 308 E C 1.613 178.222 176.600 0.014 0.000 0.991 308 E CA 1.724 58.129 56.400 0.009 0.000 0.799 308 E CB 0.089 29.794 29.700 0.008 0.000 0.748 308 E HN 0.303 nan 8.360 nan 0.000 0.449 309 T N 0.102 114.669 114.554 0.021 0.000 2.652 309 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 309 T C 2.093 176.805 174.700 0.019 0.000 1.039 309 T CA 1.406 63.520 62.100 0.023 0.000 1.153 309 T CB -0.370 68.536 68.868 0.063 0.000 0.863 309 T HN 0.071 nan 8.240 nan 0.000 0.428 310 S N 1.205 116.946 115.700 0.069 0.000 2.372 310 S HA -0.189 4.281 4.470 -0.000 0.000 0.227 310 S C 1.892 176.525 174.600 0.056 0.000 1.044 310 S CA 1.512 59.778 58.200 0.111 0.000 1.050 310 S CB -0.592 62.687 63.200 0.132 0.000 0.901 310 S HN 0.475 nan 8.310 nan 0.000 0.447 311 D N 0.636 121.056 120.400 0.032 0.000 2.144 311 D HA -0.041 4.599 4.640 -0.000 0.000 0.199 311 D C 1.839 178.144 176.300 0.008 0.000 0.984 311 D CA 0.547 54.559 54.000 0.021 0.000 0.834 311 D CB -0.376 40.432 40.800 0.014 0.000 0.955 311 D HN 0.209 nan 8.370 nan 0.000 0.465 312 L N 0.589 121.808 121.223 -0.008 0.000 2.072 312 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 312 L C 2.146 178.980 176.870 -0.060 0.000 1.079 312 L CA 1.168 55.995 54.840 -0.021 0.000 0.752 312 L CB -0.578 41.471 42.059 -0.016 0.000 0.906 312 L HN 0.007 nan 8.230 nan 0.000 0.436 313 L N -0.783 120.367 121.223 -0.121 0.000 2.131 313 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 313 L C 2.721 179.557 176.870 -0.056 0.000 1.092 313 L CA 1.307 56.038 54.840 -0.183 0.000 0.759 313 L CB -0.533 41.377 42.059 -0.248 0.000 0.903 313 L HN 0.330 nan 8.230 nan 0.000 0.435 314 R N 0.873 121.369 120.500 -0.005 0.000 2.093 314 R HA -0.167 4.173 4.340 -0.000 0.000 0.224 314 R C 2.359 178.681 176.300 0.036 0.000 1.101 314 R CA 1.248 57.368 56.100 0.033 0.000 0.979 314 R CB 0.004 30.333 30.300 0.048 0.000 0.877 314 R HN 0.213 nan 8.270 nan 0.000 0.441 315 K N 0.514 120.929 120.400 0.025 0.000 2.148 315 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 315 K C 1.904 178.530 176.600 0.044 0.000 1.050 315 K CA 1.261 57.568 56.287 0.033 0.000 0.942 315 K CB -0.028 32.486 32.500 0.023 0.000 0.724 315 K HN 0.199 nan 8.250 nan 0.000 0.446 316 I N 1.067 121.660 120.570 0.039 0.000 2.233 316 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 316 I C 2.533 178.701 176.117 0.085 0.000 1.093 316 I CA 1.010 62.349 61.300 0.065 0.000 1.380 316 I CB -0.307 37.740 38.000 0.079 0.000 1.067 316 I HN 0.238 nan 8.210 nan 0.000 0.413 317 A N 0.836 123.704 122.820 0.081 0.000 1.858 317 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 317 A C 2.526 180.184 177.584 0.123 0.000 1.190 317 A CA 2.023 54.130 52.037 0.116 0.000 0.617 317 A CB -0.986 18.078 19.000 0.106 0.000 0.827 317 A HN 0.420 nan 8.150 nan 0.000 0.443 318 A N -0.303 122.572 122.820 0.092 0.000 1.933 318 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 318 A C 1.630 179.259 177.584 0.074 0.000 1.175 318 A CA 1.904 53.989 52.037 0.080 0.000 0.628 318 A CB -0.556 18.484 19.000 0.066 0.000 0.814 318 A HN 0.442 nan 8.150 nan 0.000 0.444 319 D N -0.557 119.889 120.400 0.076 0.000 2.347 319 D HA 0.024 4.664 4.640 -0.000 0.000 0.215 319 D C 1.862 178.224 176.300 0.102 0.000 0.976 319 D CA 0.953 54.996 54.000 0.072 0.000 0.884 319 D CB 0.022 40.861 40.800 0.064 0.000 0.915 319 D HN 0.351 nan 8.370 nan 0.000 0.526 320 S N -0.141 115.644 115.700 0.142 0.000 2.470 320 S HA 0.114 4.584 4.470 -0.000 0.000 0.225 320 S C 1.068 175.887 174.600 0.364 0.000 1.006 320 S CA -0.154 58.172 58.200 0.210 0.000 0.934 320 S CB 0.405 63.723 63.200 0.196 0.000 0.778 320 S HN 0.233 nan 8.310 nan 0.000 0.517 321 I N 2.643 123.356 120.570 0.239 0.000 2.683 321 I HA 0.037 4.207 4.170 -0.000 0.000 0.286 321 I C -0.466 175.693 176.117 0.069 0.000 1.175 321 I CA -0.027 61.363 61.300 0.151 0.000 1.429 321 I CB 0.464 38.496 38.000 0.052 0.000 1.371 321 I HN -0.084 nan 8.210 nan 0.000 0.569 322 V N 7.403 127.308 119.914 -0.015 0.000 2.459 322 V HA 0.248 4.368 4.120 -0.000 0.000 0.295 322 V C -0.108 175.849 176.094 -0.229 0.000 1.029 322 V CA -0.745 61.495 62.300 -0.101 0.000 0.874 322 V CB 1.714 33.502 31.823 -0.057 0.000 0.985 322 V HN 0.406 nan 8.190 nan 0.000 0.438 323 L N 5.497 126.577 121.223 -0.239 0.000 2.281 323 L HA 0.407 4.747 4.340 -0.000 0.000 0.285 323 L C 0.523 177.220 176.870 -0.288 0.000 1.074 323 L CA 0.591 55.276 54.840 -0.259 0.000 0.817 323 L CB 0.649 42.559 42.059 -0.249 0.000 1.168 323 L HN 0.611 nan 8.230 nan 0.000 0.434 324 L N 3.513 124.525 121.223 -0.351 0.000 2.357 324 L HA 0.282 4.622 4.340 -0.000 0.000 0.211 324 L C 0.464 177.262 176.870 -0.120 0.000 1.075 324 L CA 0.286 54.843 54.840 -0.471 0.000 0.830 324 L CB -0.042 41.331 42.059 -1.144 0.000 0.996 324 L HN 0.570 nan 8.230 nan 0.000 0.467 325 K N 0.373 120.721 120.400 -0.088 0.000 2.550 325 K HA 0.285 4.605 4.320 -0.000 0.000 0.252 325 K C -1.273 175.325 176.600 -0.003 0.000 0.943 325 K CA -0.457 55.850 56.287 0.034 0.000 0.806 325 K CB 2.117 34.660 32.500 0.070 0.000 1.289 325 K HN -0.247 nan 8.250 nan 0.000 0.435 326 N N 2.859 121.573 118.700 0.023 0.000 2.722 326 N HA 0.150 4.890 4.740 -0.000 0.000 0.242 326 N C -1.585 173.934 175.510 0.014 0.000 1.398 326 N CA -0.352 52.706 53.050 0.012 0.000 0.755 326 N CB 0.636 39.143 38.487 0.033 0.000 1.268 326 N HN 0.384 nan 8.380 nan 0.000 0.522 327 K N 0.782 121.189 120.400 0.011 0.000 2.090 327 K HA 0.349 4.669 4.320 -0.000 0.000 0.250 327 K C 0.261 176.857 176.600 -0.008 0.000 1.004 327 K CA -0.627 55.665 56.287 0.009 0.000 0.919 327 K CB 0.500 33.009 32.500 0.015 0.000 1.045 327 K HN 0.341 nan 8.250 nan 0.000 0.471 328 N N 1.324 120.019 118.700 -0.007 0.000 2.714 328 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 328 N C -1.230 174.264 175.510 -0.027 0.000 1.117 328 N CA 1.074 54.115 53.050 -0.015 0.000 0.719 328 N CB -2.075 36.402 38.487 -0.015 0.000 1.081 328 N HN 0.784 nan 8.380 nan 0.000 0.557 329 N N -0.703 117.977 118.700 -0.033 0.000 2.702 329 N HA -0.234 4.506 4.740 -0.000 0.000 0.261 329 N C 1.006 176.471 175.510 -0.074 0.000 0.965 329 N CA 1.073 54.088 53.050 -0.058 0.000 0.795 329 N CB -1.190 37.269 38.487 -0.047 0.000 0.909 329 N HN 0.617 nan 8.380 nan 0.000 0.546 330 I N -1.227 119.299 120.570 -0.072 0.000 2.406 330 I HA -0.095 4.075 4.170 -0.000 0.000 0.249 330 I C 0.905 176.948 176.117 -0.125 0.000 1.122 330 I CA 0.893 62.145 61.300 -0.081 0.000 1.431 330 I CB 0.013 37.974 38.000 -0.065 0.000 1.087 330 I HN 0.215 nan 8.210 nan 0.000 0.424 331 L N 1.913 123.048 121.223 -0.147 0.000 2.334 331 L HA 0.426 4.765 4.340 -0.000 0.000 0.273 331 L C -2.354 174.229 176.870 -0.477 0.000 1.013 331 L CA -1.966 52.734 54.840 -0.233 0.000 0.816 331 L CB 1.427 43.443 42.059 -0.073 0.000 1.278 331 L HN -0.193 nan 8.230 nan 0.000 0.431 332 P HA 0.141 nan 4.420 nan 0.000 0.277 332 P C -0.701 176.419 177.300 -0.300 0.000 1.240 332 P CA -0.645 62.183 63.100 -0.453 0.000 0.798 332 P CB 0.935 32.382 31.700 -0.422 0.000 0.979 333 L N 2.160 123.135 121.223 -0.413 0.000 2.492 333 L HA 0.100 4.439 4.340 -0.000 0.000 0.280 333 L C 1.343 178.083 176.870 -0.217 0.000 1.240 333 L CA 0.876 55.436 54.840 -0.466 0.000 0.831 333 L CB -0.600 40.859 42.059 -0.999 0.000 1.100 333 L HN 0.520 nan 8.230 nan 0.000 0.505 334 K N 0.987 121.398 120.400 0.018 0.000 2.395 334 K HA 0.384 4.704 4.320 -0.000 0.000 0.247 334 K C 0.264 177.037 176.600 0.289 0.000 0.973 334 K CA -0.941 55.469 56.287 0.204 0.000 0.828 334 K CB 1.789 34.346 32.500 0.096 0.000 1.272 334 K HN 0.277 nan 8.250 nan 0.000 0.439 335 K N 0.600 121.133 120.400 0.222 0.000 2.173 335 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 335 K C 1.037 177.695 176.600 0.096 0.000 1.046 335 K CA 2.113 58.471 56.287 0.118 0.000 0.929 335 K CB 0.099 32.621 32.500 0.036 0.000 0.720 335 K HN 0.534 nan 8.250 nan 0.000 0.453 336 E N 1.070 121.320 120.200 0.083 0.000 2.051 336 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 336 E C 0.003 176.641 176.600 0.064 0.000 0.991 336 E CA 0.873 57.308 56.400 0.058 0.000 0.799 336 E CB -0.267 29.457 29.700 0.040 0.000 0.748 336 E HN 0.263 nan 8.360 nan 0.000 0.449 337 D N 1.467 121.910 120.400 0.071 0.000 2.583 337 D HA -0.102 4.538 4.640 -0.000 0.000 0.232 337 D C -0.021 176.332 176.300 0.087 0.000 1.128 337 D CA 0.354 54.392 54.000 0.063 0.000 0.859 337 D CB 0.079 40.906 40.800 0.045 0.000 1.169 337 D HN 0.016 nan 8.370 nan 0.000 0.481 338 N N 2.695 121.449 118.700 0.090 0.000 2.807 338 N HA 0.120 4.860 4.740 -0.000 0.000 0.259 338 N C -0.410 175.233 175.510 0.222 0.000 1.149 338 N CA -0.447 52.688 53.050 0.141 0.000 1.042 338 N CB -0.324 38.224 38.487 0.101 0.000 1.367 338 N HN 0.410 nan 8.380 nan 0.000 0.516 339 I N -0.146 120.520 120.570 0.159 0.000 2.677 339 I HA 0.564 4.734 4.170 -0.000 0.000 0.305 339 I C -0.336 175.711 176.117 -0.116 0.000 0.988 339 I CA -1.059 60.275 61.300 0.058 0.000 1.260 339 I CB 1.316 39.348 38.000 0.053 0.000 1.410 339 I HN 0.274 nan 8.210 nan 0.000 0.523 340 I N 4.601 124.988 120.570 -0.306 0.000 2.689 340 I HA 0.583 4.753 4.170 -0.000 0.000 0.299 340 I C -1.331 174.721 176.117 -0.109 0.000 1.059 340 I CA -0.869 60.195 61.300 -0.393 0.000 1.055 340 I CB 2.127 39.635 38.000 -0.820 0.000 1.243 340 I HN 0.468 nan 8.210 nan 0.000 0.425 341 V N 7.694 127.625 119.914 0.029 0.000 2.448 341 V HA 0.539 4.659 4.120 -0.000 0.000 0.295 341 V C -0.178 175.965 176.094 0.081 0.000 1.025 341 V CA -0.347 62.038 62.300 0.142 0.000 0.859 341 V CB 1.522 33.566 31.823 0.367 0.000 0.988 341 V HN 0.490 nan 8.190 nan 0.000 0.431 342 I N 3.308 123.888 120.570 0.017 0.000 2.730 342 I HA 0.928 5.098 4.170 -0.000 0.000 0.298 342 I C 0.276 176.389 176.117 -0.005 0.000 1.089 342 I CA -0.556 60.691 61.300 -0.088 0.000 1.041 342 I CB 2.411 40.336 38.000 -0.125 0.000 1.235 342 I HN 0.830 nan 8.210 nan 0.000 0.423 343 G N 4.611 113.399 108.800 -0.020 0.000 2.402 343 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.666 343 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.666 343 G C -2.737 172.243 174.900 0.133 0.000 1.402 343 G CA -0.776 44.351 45.100 0.044 0.000 0.920 343 G HN 0.385 nan 8.290 nan 0.000 0.651 344 P HA -0.090 nan 4.420 nan 0.000 0.219 344 P C 1.004 178.445 177.300 0.235 0.000 1.146 344 P CA 1.103 64.342 63.100 0.230 0.000 0.808 344 P CB 0.198 32.041 31.700 0.237 0.000 0.779 345 N N -0.896 117.930 118.700 0.209 0.000 2.280 345 N HA 0.135 4.875 4.740 -0.000 0.000 0.192 345 N C 1.648 177.277 175.510 0.199 0.000 1.109 345 N CA 0.433 53.608 53.050 0.208 0.000 0.855 345 N CB -0.446 38.169 38.487 0.213 0.000 0.974 345 N HN 0.015 nan 8.380 nan 0.000 0.482 346 A N 1.217 124.167 122.820 0.217 0.000 1.859 346 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 346 A C 1.853 179.559 177.584 0.202 0.000 1.198 346 A CA 1.487 53.670 52.037 0.243 0.000 0.629 346 A CB -0.227 18.979 19.000 0.344 0.000 0.830 346 A HN 0.179 nan 8.150 nan 0.000 0.446 347 K N -0.656 119.824 120.400 0.133 0.000 2.387 347 K HA 0.401 4.721 4.320 -0.000 0.000 0.198 347 K C 0.380 177.035 176.600 0.092 0.000 1.022 347 K CA 0.150 56.466 56.287 0.047 0.000 1.128 347 K CB 0.187 32.599 32.500 -0.146 0.000 0.853 347 K HN 0.488 nan 8.250 nan 0.000 0.523 348 A N 1.447 124.347 122.820 0.132 0.000 2.304 348 A HA 0.242 4.561 4.320 -0.000 0.000 0.271 348 A C -0.324 177.330 177.584 0.118 0.000 1.091 348 A CA -0.191 51.920 52.037 0.123 0.000 0.812 348 A CB 0.367 19.457 19.000 0.150 0.000 1.056 348 A HN 0.142 nan 8.150 nan 0.000 0.489 349 K N 1.592 122.047 120.400 0.092 0.000 2.602 349 K HA 0.199 4.519 4.320 -0.000 0.000 0.201 349 K C -0.265 176.370 176.600 0.059 0.000 1.070 349 K CA 0.017 56.354 56.287 0.084 0.000 1.026 349 K CB 0.604 33.146 32.500 0.069 0.000 1.534 349 K HN 0.742 nan 8.250 nan 0.000 0.560 350 T N -1.537 113.071 114.554 0.088 0.000 3.688 350 T HA 0.045 4.395 4.350 -0.000 0.000 0.307 350 T C 1.149 175.879 174.700 0.050 0.000 1.382 350 T CA -0.581 61.537 62.100 0.030 0.000 1.136 350 T CB 0.329 69.266 68.868 0.115 0.000 1.207 350 T HN 0.242 nan 8.240 nan 0.000 0.854 351 S N 1.998 117.697 115.700 -0.003 0.000 2.436 351 S HA 0.162 4.632 4.470 -0.000 0.000 0.228 351 S C 1.023 175.647 174.600 0.041 0.000 1.014 351 S CA 0.096 58.322 58.200 0.044 0.000 0.950 351 S CB -0.356 62.842 63.200 -0.003 0.000 0.784 351 S HN 1.051 nan 8.310 nan 0.000 0.504 352 S N -0.778 114.831 115.700 -0.151 0.000 2.643 352 S HA 0.720 5.190 4.470 -0.000 0.000 0.270 352 S C -0.028 174.216 174.600 -0.593 0.000 1.166 352 S CA -0.604 57.492 58.200 -0.173 0.000 0.815 352 S CB 0.750 63.924 63.200 -0.044 0.000 1.139 352 S HN 0.498 nan 8.310 nan 0.000 0.472 353 G N -0.452 107.938 108.800 -0.683 0.000 2.616 353 G HA2 0.546 4.506 3.960 -0.000 0.000 0.268 353 G HA3 0.546 4.506 3.960 -0.000 0.000 0.268 353 G C 0.410 174.934 174.900 -0.626 0.000 1.213 353 G CA -0.340 43.958 45.100 -1.337 0.000 0.926 353 G HN 1.112 nan 8.290 nan 0.000 0.523 354 G N -2.008 106.504 108.800 -0.481 0.000 2.476 354 G HA2 0.665 4.625 3.960 -0.000 0.000 0.286 354 G HA3 0.665 4.625 3.960 -0.000 0.000 0.286 354 G C 0.481 175.374 174.900 -0.012 0.000 1.177 354 G CA 0.632 45.601 45.100 -0.219 0.000 0.870 354 G HN 1.913 nan 8.290 nan 0.000 0.528 355 G N -0.169 108.626 108.800 -0.007 0.000 2.428 355 G HA2 0.112 4.072 3.960 -0.000 0.000 0.202 355 G HA3 0.112 4.072 3.960 -0.000 0.000 0.202 355 G C 1.319 176.428 174.900 0.350 0.000 1.247 355 G CA 0.622 45.822 45.100 0.166 0.000 1.020 355 G HN 1.868 nan 8.290 nan 0.000 0.529 356 S N -0.242 115.724 115.700 0.443 0.000 2.493 356 S HA 0.200 4.670 4.470 -0.000 0.000 0.243 356 S C 2.244 176.942 174.600 0.163 0.000 0.991 356 S CA 1.912 60.325 58.200 0.354 0.000 0.957 356 S CB -0.176 63.158 63.200 0.223 0.000 0.756 356 S HN 2.149 nan 8.310 nan 0.000 0.521 357 A N 1.453 124.383 122.820 0.184 0.000 2.132 357 A HA 0.363 4.683 4.320 -0.000 0.000 0.213 357 A C 1.454 179.084 177.584 0.077 0.000 1.154 357 A CA 0.403 52.508 52.037 0.115 0.000 0.753 357 A CB -0.451 18.672 19.000 0.206 0.000 0.826 357 A HN 0.696 nan 8.150 nan 0.000 0.469 358 S N -0.092 115.663 115.700 0.092 0.000 2.624 358 S HA 0.697 5.167 4.470 -0.000 0.000 0.263 358 S C 0.004 174.582 174.600 -0.037 0.000 1.287 358 S CA 0.161 58.381 58.200 0.033 0.000 0.990 358 S CB 0.678 63.906 63.200 0.046 0.000 0.950 358 S HN 0.836 nan 8.310 nan 0.000 0.561 359 M N -0.520 119.043 119.600 -0.062 0.000 3.084 359 M HA 0.525 5.005 4.480 -0.000 0.000 0.273 359 M C -1.794 174.450 176.300 -0.093 0.000 1.242 359 M CA -0.914 54.308 55.300 -0.129 0.000 0.819 359 M CB 1.264 33.762 32.600 -0.170 0.000 1.625 359 M HN 0.557 nan 8.290 nan 0.000 0.493 360 N N 0.907 119.541 118.700 -0.110 0.000 2.422 360 N HA 0.436 5.176 4.740 -0.000 0.000 0.264 360 N C -1.529 173.894 175.510 -0.146 0.000 1.063 360 N CA 0.231 53.230 53.050 -0.085 0.000 0.959 360 N CB 1.319 39.770 38.487 -0.061 0.000 1.087 360 N HN 0.657 nan 8.380 nan 0.000 0.483 361 S N 2.698 118.310 115.700 -0.145 0.000 2.585 361 S HA 0.185 4.655 4.470 -0.000 0.000 0.277 361 S C 0.659 175.169 174.600 -0.151 0.000 1.241 361 S CA -0.519 57.528 58.200 -0.255 0.000 1.041 361 S CB 0.347 63.407 63.200 -0.234 0.000 0.987 361 S HN 0.500 nan 8.310 nan 0.000 0.512 362 Y N 1.596 121.814 120.300 -0.138 0.000 2.096 362 Y HA -0.162 4.387 4.550 -0.001 0.000 0.278 362 Y C 0.829 176.784 175.900 0.091 0.000 1.192 362 Y CA 1.151 59.231 58.100 -0.034 0.000 1.143 362 Y CB -0.918 37.527 38.460 -0.024 0.000 0.963 362 Y HN 0.786 nan 8.280 nan 0.000 0.505 363 Y N -5.906 114.490 120.300 0.159 0.000 2.732 363 Y HA 0.600 5.150 4.550 -0.000 0.000 0.342 363 Y C -1.806 174.132 175.900 0.064 0.000 1.203 363 Y CA -2.521 55.635 58.100 0.093 0.000 1.092 363 Y CB 0.833 39.347 38.460 0.090 0.000 1.345 363 Y HN -0.371 nan 8.280 nan 0.000 0.458 364 V N 1.997 122.010 119.914 0.166 0.000 2.525 364 V HA 0.449 4.569 4.120 -0.000 0.000 0.299 364 V C -0.642 175.588 176.094 0.227 0.000 1.034 364 V CA -1.011 61.361 62.300 0.121 0.000 0.863 364 V CB 1.634 33.486 31.823 0.050 0.000 0.999 364 V HN 0.733 nan 8.190 nan 0.000 0.423 365 V N 4.672 124.741 119.914 0.258 0.000 2.415 365 V HA 0.183 4.303 4.120 -0.000 0.000 0.267 365 V C 1.040 177.223 176.094 0.148 0.000 1.042 365 V CA 0.056 62.473 62.300 0.194 0.000 1.000 365 V CB 1.092 33.023 31.823 0.181 0.000 1.015 365 V HN 1.092 nan 8.190 nan 0.000 0.478 366 S N 6.656 122.439 115.700 0.138 0.000 2.576 366 S HA 0.175 4.645 4.470 -0.000 0.000 0.272 366 S C -1.465 173.223 174.600 0.146 0.000 1.352 366 S CA -0.726 57.560 58.200 0.143 0.000 1.021 366 S CB 0.787 64.076 63.200 0.148 0.000 0.887 366 S HN 0.531 nan 8.310 nan 0.000 0.542 367 P HA -0.108 nan 4.420 nan 0.000 0.215 367 P C 1.250 178.646 177.300 0.161 0.000 1.153 367 P CA 1.112 64.303 63.100 0.152 0.000 0.853 367 P CB -0.221 31.574 31.700 0.159 0.000 0.788 368 Y N 1.717 122.057 120.300 0.066 0.000 2.081 368 Y HA -0.253 4.297 4.550 -0.000 0.000 0.280 368 Y C 2.146 178.062 175.900 0.025 0.000 1.163 368 Y CA 1.847 59.970 58.100 0.039 0.000 1.135 368 Y CB -0.876 37.565 38.460 -0.032 0.000 0.970 368 Y HN -0.007 nan 8.280 nan 0.000 0.498 369 E N -0.596 119.622 120.200 0.031 0.000 2.118 369 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 369 E C 2.398 178.950 176.600 -0.081 0.000 0.992 369 E CA 0.963 57.329 56.400 -0.057 0.000 0.804 369 E CB -0.582 29.147 29.700 0.049 0.000 0.741 369 E HN 0.681 nan 8.360 nan 0.000 0.458 370 G N 1.223 110.015 108.800 -0.014 0.000 2.422 370 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 370 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 370 G C 1.599 176.471 174.900 -0.046 0.000 1.146 370 G CA 0.478 45.578 45.100 0.000 0.000 0.769 370 G HN 0.124 nan 8.290 nan 0.000 0.547 371 I N 0.117 120.645 120.570 -0.070 0.000 2.286 371 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 371 I C 2.762 178.766 176.117 -0.189 0.000 1.104 371 I CA 0.330 61.584 61.300 -0.075 0.000 1.397 371 I CB -0.031 37.965 38.000 -0.008 0.000 1.072 371 I HN 0.029 nan 8.210 nan 0.000 0.417 372 V N 1.249 120.986 119.914 -0.294 0.000 2.295 372 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 372 V C 2.124 178.111 176.094 -0.178 0.000 1.049 372 V CA 1.968 64.099 62.300 -0.281 0.000 1.024 372 V CB -0.882 30.712 31.823 -0.383 0.000 0.648 372 V HN 0.458 nan 8.190 nan 0.000 0.447 373 N N 0.329 118.942 118.700 -0.146 0.000 2.137 373 N HA -0.219 4.521 4.740 -0.000 0.000 0.190 373 N C 1.780 177.214 175.510 -0.126 0.000 1.017 373 N CA 1.638 54.623 53.050 -0.108 0.000 0.859 373 N CB -0.388 38.053 38.487 -0.077 0.000 1.002 373 N HN 0.432 nan 8.380 nan 0.000 0.428 374 K N 1.054 121.354 120.400 -0.167 0.000 2.031 374 K HA 0.125 4.445 4.320 -0.000 0.000 0.205 374 K C 1.794 178.233 176.600 -0.268 0.000 1.049 374 K CA 0.839 56.983 56.287 -0.239 0.000 0.939 374 K CB -0.269 32.016 32.500 -0.358 0.000 0.717 374 K HN 0.123 nan 8.250 nan 0.000 0.438 375 L N -0.563 120.502 121.223 -0.263 0.000 2.492 375 L HA 0.197 4.537 4.340 -0.000 0.000 0.223 375 L C 1.048 177.847 176.870 -0.119 0.000 1.132 375 L CA 0.429 55.148 54.840 -0.201 0.000 0.850 375 L CB -0.361 41.603 42.059 -0.158 0.000 0.966 375 L HN 0.549 nan 8.230 nan 0.000 0.454 376 G N 1.246 109.980 108.800 -0.110 0.000 2.249 376 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.273 376 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.273 376 G C 0.049 174.916 174.900 -0.055 0.000 1.036 376 G CA 0.761 45.816 45.100 -0.075 0.000 0.824 376 G HN 0.478 nan 8.290 nan 0.000 0.504 377 K N -1.156 119.209 120.400 -0.059 0.000 2.499 377 K HA 0.602 4.922 4.320 -0.000 0.000 0.277 377 K C -0.399 176.182 176.600 -0.032 0.000 1.025 377 K CA -1.163 55.106 56.287 -0.030 0.000 0.900 377 K CB 1.457 33.950 32.500 -0.012 0.000 1.494 377 K HN 0.114 nan 8.250 nan 0.000 0.442 378 E N 0.671 120.877 120.200 0.009 0.000 2.383 378 E HA 0.265 4.615 4.350 -0.000 0.000 0.264 378 E C -1.000 175.637 176.600 0.062 0.000 1.050 378 E CA -0.379 56.049 56.400 0.046 0.000 0.896 378 E CB 1.143 30.896 29.700 0.088 0.000 0.982 378 E HN 0.144 nan 8.360 nan 0.000 0.424 379 V N 3.198 123.176 119.914 0.107 0.000 2.604 379 V HA 0.141 4.261 4.120 -0.000 0.000 0.305 379 V C -0.546 175.723 176.094 0.292 0.000 1.043 379 V CA -1.025 61.356 62.300 0.134 0.000 0.888 379 V CB 2.027 33.850 31.823 0.001 0.000 0.995 379 V HN 0.649 nan 8.190 nan 0.000 0.429 380 D N 2.614 123.140 120.400 0.210 0.000 2.443 380 D HA 0.282 4.922 4.640 -0.000 0.000 0.239 380 D C -0.708 175.738 176.300 0.243 0.000 1.136 380 D CA 0.652 54.767 54.000 0.192 0.000 0.879 380 D CB 0.876 41.744 40.800 0.114 0.000 1.195 380 D HN 0.582 nan 8.370 nan 0.000 0.443 381 Y N -0.142 120.183 120.300 0.041 0.000 2.571 381 Y HA 0.459 5.009 4.550 0.000 0.000 0.341 381 Y C -1.218 174.645 175.900 -0.062 0.000 1.076 381 Y CA -0.584 57.495 58.100 -0.036 0.000 1.029 381 Y CB 2.235 40.562 38.460 -0.221 0.000 1.308 381 Y HN 0.281 nan 8.280 nan 0.000 0.461 382 T N 4.281 118.259 114.554 -0.959 0.000 2.982 382 T HA 0.234 4.584 4.350 -0.000 0.000 0.321 382 T C -0.124 173.937 174.700 -1.064 0.000 1.229 382 T CA -0.103 61.434 62.100 -0.939 0.000 1.044 382 T CB 1.531 70.174 68.868 -0.374 0.000 1.184 382 T HN 0.795 nan 8.240 nan 0.000 0.477 383 V N 4.482 123.955 119.914 -0.736 0.000 2.332 383 V HA 0.153 4.273 4.120 -0.000 0.000 0.248 383 V C 2.124 178.094 176.094 -0.207 0.000 1.055 383 V CA 3.460 65.576 62.300 -0.306 0.000 1.038 383 V CB -1.048 30.759 31.823 -0.027 0.000 0.651 383 V HN 1.458 nan 8.190 nan 0.000 0.450 384 G N -0.650 108.012 108.800 -0.229 0.000 4.365 384 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.214 384 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.214 384 G C 0.335 175.146 174.900 -0.148 0.000 1.450 384 G CA 0.215 45.215 45.100 -0.166 0.000 0.937 384 G HN 1.908 nan 8.290 nan 0.000 0.625 385 A N -1.466 121.288 122.820 -0.110 0.000 2.609 385 A HA 0.743 5.063 4.320 -0.000 0.000 0.291 385 A C -1.294 176.304 177.584 0.023 0.000 1.096 385 A CA -0.441 51.538 52.037 -0.097 0.000 0.684 385 A CB 0.865 19.851 19.000 -0.023 0.000 1.282 385 A HN 1.059 nan 8.150 nan 0.000 0.412 386 Y N 0.691 121.040 120.300 0.082 0.000 2.376 386 Y HA 0.554 5.104 4.550 0.000 0.000 0.325 386 Y C 1.353 177.305 175.900 0.088 0.000 1.199 386 Y CA -0.448 57.738 58.100 0.143 0.000 1.206 386 Y CB 1.908 40.492 38.460 0.206 0.000 1.229 386 Y HN 0.854 nan 8.280 nan 0.000 0.480 387 S N -0.936 114.952 115.700 0.313 0.000 3.101 387 S HA 0.145 4.615 4.470 -0.000 0.000 0.252 387 S C -0.705 174.129 174.600 0.390 0.000 0.920 387 S CA -0.692 57.666 58.200 0.263 0.000 1.158 387 S CB -1.338 62.020 63.200 0.263 0.000 1.125 387 S HN 0.766 nan 8.310 nan 0.000 0.608 388 H N 0.385 119.634 119.070 0.298 0.000 2.679 388 H HA 0.587 5.143 4.556 -0.000 0.000 0.369 388 H C 1.076 176.448 175.328 0.073 0.000 1.178 388 H CA -0.290 55.843 56.048 0.142 0.000 1.419 388 H CB 0.862 30.618 29.762 -0.009 0.000 1.458 388 H HN 0.155 nan 8.280 nan 0.000 0.605 389 K N 0.875 121.121 120.400 -0.257 0.000 2.202 389 K HA 0.062 4.382 4.320 -0.000 0.000 0.201 389 K C -0.283 176.213 176.600 -0.172 0.000 1.051 389 K CA 0.759 56.678 56.287 -0.614 0.000 0.977 389 K CB 0.409 32.150 32.500 -1.264 0.000 0.792 389 K HN 0.775 nan 8.250 nan 0.000 0.469 390 S N -0.638 115.044 115.700 -0.031 0.000 2.588 390 S HA 0.442 4.912 4.470 -0.000 0.000 0.275 390 S C -0.483 174.140 174.600 0.037 0.000 1.130 390 S CA -1.065 57.160 58.200 0.042 0.000 0.855 390 S CB 1.238 64.429 63.200 -0.015 0.000 1.116 390 S HN 0.109 nan 8.310 nan 0.000 0.472 391 I N 2.653 123.209 120.570 -0.023 0.000 2.379 391 I HA 0.461 4.631 4.170 -0.000 0.000 0.290 391 I C 1.139 177.194 176.117 -0.103 0.000 1.063 391 I CA 0.144 61.353 61.300 -0.151 0.000 1.351 391 I CB 0.476 38.398 38.000 -0.130 0.000 1.410 391 I HN 0.963 nan 8.210 nan 0.000 0.505 392 G N 3.159 111.882 108.800 -0.127 0.000 3.310 392 G HA2 0.502 4.462 3.960 -0.000 0.000 0.176 392 G HA3 0.502 4.462 3.960 -0.000 0.000 0.176 392 G C 0.880 175.734 174.900 -0.077 0.000 1.307 392 G CA -0.103 44.951 45.100 -0.075 0.000 0.935 392 G HN 0.862 nan 8.290 nan 0.000 0.628 393 G N -1.048 107.723 108.800 -0.049 0.000 2.175 393 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.265 393 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.265 393 G C 1.153 176.059 174.900 0.010 0.000 0.979 393 G CA 1.162 46.248 45.100 -0.023 0.000 0.663 393 G HN 0.998 nan 8.290 nan 0.000 0.533 394 L N 0.339 121.565 121.223 0.005 0.000 2.145 394 L HA 0.647 4.987 4.340 -0.000 0.000 0.201 394 L C 2.902 179.818 176.870 0.078 0.000 1.075 394 L CA 2.693 57.545 54.840 0.020 0.000 0.773 394 L CB -0.751 41.326 42.059 0.030 0.000 0.936 394 L HN 0.472 nan 8.230 nan 0.000 0.451 395 A N -0.702 122.153 122.820 0.058 0.000 1.969 395 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 395 A C 1.988 179.624 177.584 0.087 0.000 1.169 395 A CA 1.504 53.586 52.037 0.075 0.000 0.635 395 A CB -0.542 18.492 19.000 0.056 0.000 0.810 395 A HN 0.517 nan 8.150 nan 0.000 0.445 396 E N 0.202 120.448 120.200 0.076 0.000 2.409 396 E HA -0.050 4.300 4.350 -0.000 0.000 0.198 396 E C 1.158 177.817 176.600 0.098 0.000 1.024 396 E CA 1.043 57.488 56.400 0.075 0.000 0.861 396 E CB -0.019 29.715 29.700 0.057 0.000 0.788 396 E HN 0.678 nan 8.360 nan 0.000 0.521 397 S N -1.805 113.980 115.700 0.142 0.000 3.025 397 S HA 0.402 4.872 4.470 -0.000 0.000 0.251 397 S C -0.017 174.728 174.600 0.241 0.000 0.954 397 S CA -0.701 57.608 58.200 0.181 0.000 1.092 397 S CB 0.437 63.773 63.200 0.228 0.000 1.079 397 S HN -0.083 nan 8.310 nan 0.000 0.543 398 S N 0.787 116.611 115.700 0.206 0.000 2.634 398 S HA 0.841 5.311 4.470 -0.000 0.000 0.296 398 S C -1.033 173.646 174.600 0.131 0.000 1.104 398 S CA -0.715 57.620 58.200 0.225 0.000 0.920 398 S CB 1.381 64.735 63.200 0.256 0.000 1.111 398 S HN 0.481 nan 8.310 nan 0.000 0.493 399 L N 1.925 123.217 121.223 0.113 0.000 2.370 399 L HA 0.522 4.862 4.340 -0.000 0.000 0.266 399 L C 0.353 177.271 176.870 0.080 0.000 1.002 399 L CA -0.762 54.125 54.840 0.078 0.000 0.818 399 L CB 1.008 43.098 42.059 0.052 0.000 1.325 399 L HN 0.512 nan 8.230 nan 0.000 0.418 400 I N 0.153 120.763 120.570 0.067 0.000 2.113 400 I HA -0.140 4.030 4.170 -0.000 0.000 0.238 400 I C 0.791 176.939 176.117 0.053 0.000 1.070 400 I CA 1.525 62.862 61.300 0.062 0.000 1.332 400 I CB -0.260 37.772 38.000 0.053 0.000 1.044 400 I HN 0.570 nan 8.210 nan 0.000 0.402 401 D N -0.565 119.861 120.400 0.042 0.000 2.440 401 D HA 0.482 5.122 4.640 -0.000 0.000 0.239 401 D C 0.847 177.163 176.300 0.027 0.000 1.084 401 D CA 0.045 54.065 54.000 0.032 0.000 0.843 401 D CB 1.701 42.517 40.800 0.025 0.000 1.097 401 D HN 0.115 nan 8.370 nan 0.000 0.531 402 A N 3.587 126.421 122.820 0.024 0.000 1.908 402 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 402 A C 2.050 179.637 177.584 0.005 0.000 1.181 402 A CA 1.922 53.967 52.037 0.013 0.000 0.627 402 A CB -0.502 18.502 19.000 0.006 0.000 0.818 402 A HN 0.621 nan 8.150 nan 0.000 0.445 403 A N -0.683 122.140 122.820 0.005 0.000 2.084 403 A HA -0.083 4.237 4.320 -0.000 0.000 0.221 403 A C 1.376 178.963 177.584 0.005 0.000 1.161 403 A CA 1.357 53.396 52.037 0.002 0.000 0.653 403 A CB -0.242 18.759 19.000 0.002 0.000 0.802 403 A HN 0.568 nan 8.150 nan 0.000 0.457 404 K N -0.163 120.242 120.400 0.010 0.000 2.109 404 K HA 0.419 4.739 4.320 -0.000 0.000 0.243 404 K C -2.630 173.977 176.600 0.011 0.000 1.006 404 K CA -2.123 54.171 56.287 0.011 0.000 0.917 404 K CB 0.294 32.803 32.500 0.015 0.000 1.081 404 K HN 0.062 nan 8.250 nan 0.000 0.468 405 P HA 0.068 nan 4.420 nan 0.000 0.274 405 P C -1.183 176.127 177.300 0.015 0.000 1.237 405 P CA -0.431 62.676 63.100 0.012 0.000 0.793 405 P CB 0.496 32.203 31.700 0.011 0.000 0.977 406 A N 1.629 124.458 122.820 0.015 0.000 2.915 406 A HA 0.143 4.463 4.320 -0.000 0.000 0.292 406 A C 0.524 178.121 177.584 0.022 0.000 1.632 406 A CA -0.133 51.916 52.037 0.020 0.000 1.337 406 A CB -1.222 17.789 19.000 0.019 0.000 1.111 406 A HN 0.464 nan 8.150 nan 0.000 0.569 407 D N 1.589 122.003 120.400 0.024 0.000 2.403 407 D HA 0.494 5.134 4.640 -0.000 0.000 0.278 407 D C 1.197 177.513 176.300 0.028 0.000 1.230 407 D CA 0.528 54.542 54.000 0.023 0.000 1.062 407 D CB 1.133 41.946 40.800 0.023 0.000 1.119 407 D HN 0.318 nan 8.370 nan 0.000 0.557 408 A N -0.568 122.268 122.820 0.026 0.000 2.390 408 A HA 0.063 4.383 4.320 -0.000 0.000 0.232 408 A C 1.315 178.917 177.584 0.030 0.000 1.233 408 A CA 0.128 52.183 52.037 0.030 0.000 0.907 408 A CB 0.033 19.049 19.000 0.027 0.000 0.967 408 A HN 0.556 nan 8.150 nan 0.000 0.512 409 E N -0.773 119.444 120.200 0.029 0.000 2.474 409 E HA 0.004 4.354 4.350 -0.000 0.000 0.215 409 E C 0.840 177.460 176.600 0.033 0.000 0.867 409 E CA 0.428 56.845 56.400 0.029 0.000 1.135 409 E CB 0.095 29.809 29.700 0.024 0.000 1.147 409 E HN 0.436 nan 8.360 nan 0.000 0.534 410 N N -0.141 118.579 118.700 0.033 0.000 2.254 410 N HA 0.079 4.819 4.740 -0.000 0.000 0.190 410 N C -0.581 174.956 175.510 0.045 0.000 1.107 410 N CA 0.031 53.103 53.050 0.037 0.000 0.869 410 N CB 0.784 39.290 38.487 0.031 0.000 0.983 410 N HN -0.155 nan 8.380 nan 0.000 0.487 411 S N -0.314 115.413 115.700 0.046 0.000 2.565 411 S HA 0.634 5.104 4.470 -0.000 0.000 0.274 411 S C 0.525 175.163 174.600 0.063 0.000 1.309 411 S CA 0.136 58.368 58.200 0.054 0.000 1.043 411 S CB 0.917 64.147 63.200 0.050 0.000 0.939 411 S HN 0.660 nan 8.310 nan 0.000 0.504 412 G N 1.874 110.720 108.800 0.076 0.000 2.466 412 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.218 412 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.218 412 G C -1.354 173.600 174.900 0.091 0.000 1.237 412 G CA -0.370 44.780 45.100 0.083 0.000 0.954 412 G HN 0.742 nan 8.290 nan 0.000 0.580 413 L N -0.597 120.681 121.223 0.091 0.000 2.403 413 L HA 0.739 5.079 4.340 -0.000 0.000 0.253 413 L C -0.431 176.499 176.870 0.100 0.000 1.045 413 L CA -1.217 53.679 54.840 0.093 0.000 0.845 413 L CB 2.043 44.156 42.059 0.089 0.000 1.447 413 L HN 0.536 nan 8.230 nan 0.000 0.411 414 I N 1.307 121.935 120.570 0.095 0.000 2.404 414 I HA 0.572 4.742 4.170 -0.000 0.000 0.293 414 I C -0.068 176.115 176.117 0.111 0.000 0.992 414 I CA -0.325 61.038 61.300 0.104 0.000 1.149 414 I CB 1.691 39.740 38.000 0.082 0.000 1.315 414 I HN 0.658 nan 8.210 nan 0.000 0.446 415 A N 7.544 130.458 122.820 0.158 0.000 2.304 415 A HA 0.687 5.007 4.320 -0.000 0.000 0.323 415 A C -0.367 177.285 177.584 0.113 0.000 1.195 415 A CA -0.668 51.434 52.037 0.109 0.000 0.826 415 A CB 0.849 19.955 19.000 0.176 0.000 1.184 415 A HN 0.678 nan 8.150 nan 0.000 0.496 416 K N 2.129 122.526 120.400 -0.004 0.000 2.463 416 K HA 0.471 4.791 4.320 -0.000 0.000 0.255 416 K C -1.704 174.799 176.600 -0.161 0.000 0.942 416 K CA -0.023 56.256 56.287 -0.013 0.000 0.814 416 K CB 1.790 34.329 32.500 0.065 0.000 1.122 416 K HN 0.630 nan 8.250 nan 0.000 0.425 417 F N 2.576 122.246 119.950 -0.468 0.000 2.408 417 F HA 0.378 4.906 4.527 0.003 0.000 0.344 417 F C -0.145 175.045 175.800 -1.016 0.000 1.112 417 F CA -0.668 56.945 58.000 -0.645 0.000 1.096 417 F CB 0.790 39.181 39.000 -1.015 0.000 1.129 417 F HN 0.376 nan 8.300 nan 0.000 0.486 418 Y N 0.425 120.671 120.300 -0.090 0.000 2.499 418 Y HA 0.212 4.763 4.550 0.001 0.000 0.347 418 Y C 0.993 177.255 175.900 0.605 0.000 0.987 418 Y CA -0.800 57.395 58.100 0.158 0.000 1.044 418 Y CB 2.098 40.647 38.460 0.149 0.000 1.245 418 Y HN 0.509 nan 8.280 nan 0.000 0.461 419 S N 0.849 117.063 115.700 0.856 0.000 2.442 419 S HA -0.090 4.380 4.470 -0.000 0.000 0.236 419 S C -0.033 175.006 174.600 0.731 0.000 1.007 419 S CA 0.927 59.594 58.200 0.779 0.000 0.965 419 S CB -0.380 63.139 63.200 0.531 0.000 0.773 419 S HN 0.671 nan 8.310 nan 0.000 0.504 420 N N 0.531 119.556 118.700 0.542 0.000 2.265 420 N HA 0.412 5.152 4.740 -0.000 0.000 0.300 420 N C -3.095 172.213 175.510 -0.337 0.000 1.148 420 N CA -1.754 51.420 53.050 0.207 0.000 0.772 420 N CB 2.079 40.643 38.487 0.127 0.000 1.434 420 N HN -0.024 nan 8.380 nan 0.000 0.481 421 P HA 0.038 nan 4.420 nan 0.000 0.279 421 P C 0.649 177.607 177.300 -0.570 0.000 1.252 421 P CA -0.355 61.979 63.100 -1.276 0.000 0.811 421 P CB 1.461 32.292 31.700 -1.447 0.000 1.035 422 V N 1.975 121.612 119.914 -0.461 0.000 2.407 422 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 422 V C 1.945 177.894 176.094 -0.241 0.000 1.055 422 V CA 2.171 64.268 62.300 -0.338 0.000 1.049 422 V CB -1.249 30.399 31.823 -0.292 0.000 0.662 422 V HN 0.492 nan 8.190 nan 0.000 0.455 423 E N 0.074 120.149 120.200 -0.209 0.000 2.273 423 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 423 E C 1.970 178.494 176.600 -0.127 0.000 1.002 423 E CA 1.740 58.055 56.400 -0.141 0.000 0.828 423 E CB -0.079 29.553 29.700 -0.113 0.000 0.747 423 E HN 0.759 nan 8.360 nan 0.000 0.491 424 E N -0.584 119.521 120.200 -0.157 0.000 2.541 424 E HA 0.081 4.431 4.350 -0.000 0.000 0.219 424 E C 0.050 176.595 176.600 -0.092 0.000 0.922 424 E CA -0.235 56.100 56.400 -0.109 0.000 1.095 424 E CB 0.587 30.228 29.700 -0.099 0.000 1.112 424 E HN 0.146 nan 8.360 nan 0.000 0.516 425 R N 1.420 121.844 120.500 -0.126 0.000 2.457 425 R HA 0.410 4.750 4.340 -0.000 0.000 0.284 425 R C 0.020 176.281 176.300 -0.066 0.000 1.024 425 R CA -0.503 55.547 56.100 -0.083 0.000 1.025 425 R CB 0.873 31.112 30.300 -0.101 0.000 1.063 425 R HN -0.196 nan 8.270 nan 0.000 0.493 426 S N 0.701 116.388 115.700 -0.022 0.000 2.576 426 S HA -0.011 4.459 4.470 -0.000 0.000 0.276 426 S C 0.407 175.002 174.600 -0.007 0.000 1.339 426 S CA -0.740 57.453 58.200 -0.012 0.000 1.039 426 S CB 1.304 64.510 63.200 0.010 0.000 0.902 426 S HN 0.744 nan 8.310 nan 0.000 0.516 427 D N 0.686 121.079 120.400 -0.011 0.000 2.378 427 D HA -0.097 4.543 4.640 -0.000 0.000 0.222 427 D C 0.735 177.054 176.300 0.032 0.000 0.980 427 D CA 0.892 54.890 54.000 -0.004 0.000 0.907 427 D CB -0.045 40.748 40.800 -0.012 0.000 0.899 427 D HN 0.825 nan 8.370 nan 0.000 0.527 428 D N -0.116 120.310 120.400 0.042 0.000 2.388 428 D HA -0.039 4.601 4.640 -0.000 0.000 0.221 428 D C 0.183 176.535 176.300 0.088 0.000 1.133 428 D CA -0.224 53.812 54.000 0.059 0.000 0.831 428 D CB -0.358 40.470 40.800 0.045 0.000 0.962 428 D HN 0.091 nan 8.370 nan 0.000 0.502 429 E N 0.932 121.198 120.200 0.110 0.000 2.229 429 E HA 0.089 4.439 4.350 -0.000 0.000 0.283 429 E C -0.432 176.322 176.600 0.256 0.000 1.030 429 E CA -0.439 56.065 56.400 0.174 0.000 0.836 429 E CB 0.787 30.596 29.700 0.181 0.000 1.068 429 E HN 0.074 nan 8.360 nan 0.000 0.401 430 E N 4.375 124.705 120.200 0.215 0.000 2.277 430 E HA 0.298 4.648 4.350 -0.000 0.000 0.274 430 E C -2.231 174.390 176.600 0.036 0.000 1.022 430 E CA -2.210 54.286 56.400 0.159 0.000 0.853 430 E CB 0.965 30.730 29.700 0.108 0.000 1.086 430 E HN 0.430 nan 8.360 nan 0.000 0.397 431 P HA -0.002 nan 4.420 nan 0.000 0.269 431 P C 0.351 177.535 177.300 -0.193 0.000 1.215 431 P CA 0.016 62.722 63.100 -0.658 0.000 0.780 431 P CB 0.151 31.483 31.700 -0.614 0.000 0.898 432 F N -0.663 119.220 119.950 -0.111 0.000 2.776 432 F HA 0.364 4.891 4.527 -0.000 0.000 0.300 432 F C 0.373 176.153 175.800 -0.033 0.000 1.116 432 F CA -0.013 57.973 58.000 -0.023 0.000 1.375 432 F CB -0.581 38.412 39.000 -0.011 0.000 1.109 432 F HN 0.270 nan 8.300 nan 0.000 0.585 433 H N -0.535 118.388 119.070 -0.245 0.000 3.112 433 H HA 0.657 5.212 4.556 -0.001 0.000 0.347 433 H C -1.900 173.439 175.328 0.018 0.000 1.188 433 H CA -1.087 54.901 56.048 -0.101 0.000 1.240 433 H CB 2.159 31.755 29.762 -0.277 0.000 1.920 433 H HN -0.132 nan 8.280 nan 0.000 0.535 434 V N 4.266 124.021 119.914 -0.264 0.000 2.524 434 V HA 0.507 4.627 4.120 -0.000 0.000 0.297 434 V C -0.729 175.335 176.094 -0.050 0.000 1.035 434 V CA -0.525 61.746 62.300 -0.048 0.000 0.867 434 V CB 1.770 33.567 31.823 -0.044 0.000 1.004 434 V HN 0.926 nan 8.190 nan 0.000 0.426 435 T N 3.973 118.643 114.554 0.193 0.000 2.893 435 T HA 0.421 4.771 4.350 -0.000 0.000 0.293 435 T C -0.527 174.289 174.700 0.193 0.000 1.027 435 T CA -0.791 61.435 62.100 0.210 0.000 0.988 435 T CB 2.142 71.258 68.868 0.414 0.000 1.043 435 T HN 0.408 nan 8.240 nan 0.000 0.461 436 K N 2.164 122.625 120.400 0.103 0.000 2.322 436 K HA 0.446 4.766 4.320 -0.000 0.000 0.283 436 K C -0.887 175.765 176.600 0.087 0.000 1.042 436 K CA -0.268 56.072 56.287 0.088 0.000 0.958 436 K CB 0.901 33.432 32.500 0.052 0.000 0.984 436 K HN 0.366 nan 8.250 nan 0.000 0.473 437 V N 5.222 125.206 119.914 0.117 0.000 2.384 437 V HA 0.148 4.268 4.120 -0.000 0.000 0.287 437 V C 0.708 176.852 176.094 0.084 0.000 1.020 437 V CA -0.637 61.739 62.300 0.126 0.000 0.850 437 V CB 1.444 33.395 31.823 0.213 0.000 0.987 437 V HN 0.750 nan 8.190 nan 0.000 0.436 438 N N 3.606 122.340 118.700 0.057 0.000 2.432 438 N HA 0.145 4.884 4.740 -0.000 0.000 0.174 438 N C 0.575 176.117 175.510 0.053 0.000 1.037 438 N CA 0.281 53.362 53.050 0.052 0.000 0.892 438 N CB 0.595 39.104 38.487 0.037 0.000 1.049 438 N HN 0.528 nan 8.380 nan 0.000 0.442 439 R N 0.082 120.616 120.500 0.056 0.000 2.604 439 R HA 0.396 4.736 4.340 -0.000 0.000 0.287 439 R C 0.718 177.038 176.300 0.033 0.000 0.970 439 R CA -0.331 55.798 56.100 0.047 0.000 0.946 439 R CB 1.484 31.815 30.300 0.052 0.000 1.127 439 R HN -0.079 nan 8.270 nan 0.000 0.473 440 S N 0.827 116.532 115.700 0.008 0.000 2.428 440 S HA -0.083 4.387 4.470 -0.000 0.000 0.230 440 S C 0.844 175.390 174.600 -0.090 0.000 1.014 440 S CA 0.578 58.758 58.200 -0.034 0.000 0.957 440 S CB -0.135 63.050 63.200 -0.026 0.000 0.784 440 S HN 0.499 nan 8.310 nan 0.000 0.499 441 N N 2.574 121.254 118.700 -0.033 0.000 2.399 441 N HA 0.085 4.825 4.740 -0.000 0.000 0.259 441 N C -1.190 174.291 175.510 -0.050 0.000 1.160 441 N CA 0.148 53.184 53.050 -0.022 0.000 0.946 441 N CB 0.493 39.007 38.487 0.045 0.000 1.156 441 N HN -0.085 nan 8.380 nan 0.000 0.489 442 V N 5.036 124.769 119.914 -0.302 0.000 2.353 442 V HA 0.092 4.212 4.120 -0.000 0.000 0.264 442 V C 0.151 176.134 176.094 -0.186 0.000 1.049 442 V CA -0.594 61.498 62.300 -0.347 0.000 0.896 442 V CB -0.169 31.030 31.823 -1.040 0.000 1.025 442 V HN 0.607 nan 8.190 nan 0.000 0.475 443 H N 5.342 124.404 119.070 -0.013 0.000 2.623 443 H HA 0.472 5.029 4.556 0.000 0.000 0.299 443 H C 0.314 175.736 175.328 0.157 0.000 1.052 443 H CA -0.767 55.274 56.048 -0.011 0.000 1.231 443 H CB 1.012 30.721 29.762 -0.089 0.000 1.389 443 H HN 0.613 nan 8.280 nan 0.000 0.469 444 L N 5.567 127.009 121.223 0.364 0.000 2.769 444 L HA 0.023 4.363 4.340 -0.000 0.000 0.240 444 L C 1.507 178.682 176.870 0.508 0.000 1.163 444 L CA -0.233 54.871 54.840 0.441 0.000 0.962 444 L CB -0.204 42.072 42.059 0.363 0.000 1.258 444 L HN 0.592 nan 8.230 nan 0.000 0.513 445 F N 2.957 123.109 119.950 0.337 0.000 2.053 445 F HA -0.353 4.174 4.527 0.001 0.000 0.295 445 F C 1.816 177.595 175.800 -0.034 0.000 1.102 445 F CA 2.477 60.606 58.000 0.214 0.000 1.225 445 F CB 0.011 39.167 39.000 0.261 0.000 0.961 445 F HN 0.432 nan 8.300 nan 0.000 0.495 446 D N -1.395 118.964 120.400 -0.068 0.000 2.538 446 D HA 0.023 4.663 4.640 -0.000 0.000 0.231 446 D C 0.203 176.491 176.300 -0.021 0.000 1.229 446 D CA -0.546 53.056 54.000 -0.662 0.000 0.828 446 D CB -1.630 38.864 40.800 -0.510 0.000 1.035 446 D HN 0.198 nan 8.370 nan 0.000 0.495 447 F N 2.026 122.040 119.950 0.106 0.000 2.563 447 F HA 0.263 4.792 4.527 0.003 0.000 0.363 447 F C 0.291 176.141 175.800 0.084 0.000 1.123 447 F CA 0.193 58.291 58.000 0.163 0.000 1.307 447 F CB 0.640 39.781 39.000 0.234 0.000 1.115 447 F HN -0.225 nan 8.300 nan 0.000 0.592 448 K N 5.670 125.508 120.400 -0.936 0.000 2.482 448 K HA 0.302 4.622 4.320 -0.000 0.000 0.251 448 K C -1.737 174.394 176.600 -0.782 0.000 0.936 448 K CA -0.705 55.245 56.287 -0.562 0.000 0.791 448 K CB 1.124 33.492 32.500 -0.220 0.000 1.213 448 K HN 0.855 nan 8.250 nan 0.000 0.428 449 H N 1.691 120.421 119.070 -0.565 0.000 3.037 449 H HA 0.024 4.582 4.556 0.003 0.000 0.336 449 H C -0.146 175.002 175.328 -0.300 0.000 1.323 449 H CA -0.231 55.539 56.048 -0.463 0.000 1.159 449 H CB 1.879 31.358 29.762 -0.471 0.000 1.882 449 H HN 0.744 nan 8.280 nan 0.000 0.535 450 E N 1.280 121.187 120.200 -0.488 0.000 2.204 450 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 450 E C 1.016 177.534 176.600 -0.137 0.000 0.989 450 E CA 0.965 57.219 56.400 -0.244 0.000 0.824 450 E CB 0.209 29.773 29.700 -0.227 0.000 0.756 450 E HN 0.261 nan 8.360 nan 0.000 0.477 451 K N 0.654 120.982 120.400 -0.119 0.000 2.432 451 K HA 0.115 4.435 4.320 -0.000 0.000 0.196 451 K C -0.017 176.420 176.600 -0.272 0.000 1.038 451 K CA 0.212 56.284 56.287 -0.358 0.000 0.986 451 K CB 0.217 32.094 32.500 -1.039 0.000 0.782 451 K HN 0.097 nan 8.250 nan 0.000 0.485 452 V N 2.563 122.380 119.914 -0.161 0.000 2.370 452 V HA 0.096 4.216 4.120 -0.000 0.000 0.279 452 V C -0.311 175.834 176.094 0.085 0.000 1.029 452 V CA -1.356 60.969 62.300 0.042 0.000 0.870 452 V CB 1.505 33.368 31.823 0.066 0.000 0.984 452 V HN 0.034 nan 8.190 nan 0.000 0.451 453 D N 6.851 127.338 120.400 0.145 0.000 2.317 453 D HA 0.276 4.916 4.640 -0.000 0.000 0.252 453 D C -1.597 174.794 176.300 0.152 0.000 1.174 453 D CA -1.957 52.112 54.000 0.115 0.000 0.866 453 D CB 2.056 42.920 40.800 0.107 0.000 1.127 453 D HN 0.204 nan 8.370 nan 0.000 0.467 454 P HA -0.072 nan 4.420 nan 0.000 0.218 454 P C 0.803 178.172 177.300 0.114 0.000 1.149 454 P CA 1.030 64.210 63.100 0.133 0.000 0.817 454 P CB 0.268 32.006 31.700 0.064 0.000 0.785 455 K N -1.567 118.876 120.400 0.071 0.000 2.439 455 K HA -0.016 4.304 4.320 -0.000 0.000 0.197 455 K C 0.332 176.984 176.600 0.087 0.000 1.041 455 K CA 0.516 56.835 56.287 0.053 0.000 0.970 455 K CB -0.148 32.359 32.500 0.011 0.000 0.773 455 K HN 0.018 nan 8.250 nan 0.000 0.479 456 N N -0.162 118.619 118.700 0.136 0.000 2.976 456 N HA 0.071 4.811 4.740 -0.000 0.000 0.220 456 N C -2.997 172.676 175.510 0.272 0.000 1.428 456 N CA -1.348 51.810 53.050 0.181 0.000 0.748 456 N CB 1.050 39.618 38.487 0.135 0.000 1.484 456 N HN -0.232 nan 8.380 nan 0.000 0.578 457 P HA 0.069 nan 4.420 nan 0.000 0.256 457 P C -1.160 176.409 177.300 0.448 0.000 1.688 457 P CA 0.125 63.495 63.100 0.451 0.000 1.162 457 P CB -0.761 31.235 31.700 0.493 0.000 1.870 458 Y N 6.356 126.849 120.300 0.322 0.000 2.417 458 Y HA 0.497 5.047 4.550 -0.001 0.000 0.336 458 Y C -0.438 175.603 175.900 0.235 0.000 0.961 458 Y CA -0.567 57.605 58.100 0.121 0.000 1.215 458 Y CB 0.347 38.872 38.460 0.108 0.000 1.120 458 Y HN 0.273 nan 8.280 nan 0.000 0.499 459 F N 2.894 122.636 119.950 -0.348 0.000 2.858 459 F HA 0.736 5.265 4.527 0.002 0.000 0.319 459 F C -2.517 172.924 175.800 -0.600 0.000 1.166 459 F CA -2.044 55.864 58.000 -0.152 0.000 0.899 459 F CB 1.051 40.304 39.000 0.422 0.000 1.332 459 F HN 0.073 nan 8.300 nan 0.000 0.461 460 F N 0.610 120.788 119.950 0.380 0.000 2.603 460 F HA 0.816 5.343 4.527 -0.000 0.000 0.317 460 F C -0.781 175.107 175.800 0.145 0.000 1.066 460 F CA -1.315 56.743 58.000 0.096 0.000 0.941 460 F CB 2.396 41.423 39.000 0.044 0.000 1.291 460 F HN 0.432 nan 8.300 nan 0.000 0.472 461 V N 0.808 120.832 119.914 0.184 0.000 2.686 461 V HA 0.499 4.619 4.120 -0.000 0.000 0.306 461 V C -0.745 175.338 176.094 -0.018 0.000 1.065 461 V CA -0.732 61.513 62.300 -0.091 0.000 0.894 461 V CB 2.164 33.757 31.823 -0.382 0.000 1.004 461 V HN 0.793 nan 8.190 nan 0.000 0.424 462 T N 5.715 120.289 114.554 0.034 0.000 2.758 462 T HA 0.617 4.967 4.350 -0.000 0.000 0.285 462 T C -0.678 174.019 174.700 -0.005 0.000 0.981 462 T CA -0.155 61.954 62.100 0.016 0.000 0.965 462 T CB 1.073 69.984 68.868 0.071 0.000 0.927 462 T HN 0.411 nan 8.240 nan 0.000 0.448 463 L N 4.979 126.184 121.223 -0.030 0.000 2.305 463 L HA 0.678 5.018 4.340 -0.000 0.000 0.284 463 L C 0.107 176.981 176.870 0.007 0.000 1.013 463 L CA -0.043 54.801 54.840 0.008 0.000 0.819 463 L CB 1.361 43.455 42.059 0.059 0.000 1.227 463 L HN 0.775 nan 8.230 nan 0.000 0.417 464 T N 1.346 115.923 114.554 0.038 0.000 2.907 464 T HA 1.019 5.369 4.350 -0.000 0.000 0.292 464 T C -0.154 174.587 174.700 0.068 0.000 1.043 464 T CA -0.281 61.848 62.100 0.048 0.000 1.003 464 T CB 1.979 70.876 68.868 0.048 0.000 1.084 464 T HN 0.969 nan 8.240 nan 0.000 0.483 465 G N 0.383 109.233 108.800 0.083 0.000 2.325 465 G HA2 0.506 4.466 3.960 -0.000 0.000 0.295 465 G HA3 0.506 4.466 3.960 -0.000 0.000 0.295 465 G C -2.319 172.660 174.900 0.131 0.000 1.274 465 G CA -0.907 44.255 45.100 0.103 0.000 0.857 465 G HN 0.813 nan 8.290 nan 0.000 0.499 466 Q N -0.550 119.341 119.800 0.151 0.000 2.304 466 Q HA 0.465 4.805 4.340 -0.000 0.000 0.270 466 Q C -2.034 174.109 176.000 0.239 0.000 1.035 466 Q CA -0.738 55.167 55.803 0.169 0.000 0.781 466 Q CB 3.197 31.995 28.738 0.100 0.000 1.261 466 Q HN 0.533 nan 8.270 nan 0.000 0.444 467 Y N 1.864 122.256 120.300 0.154 0.000 2.328 467 Y HA 0.444 4.993 4.550 -0.000 0.000 0.337 467 Y C -1.119 174.885 175.900 0.174 0.000 0.966 467 Y CA -0.750 57.446 58.100 0.159 0.000 1.136 467 Y CB 1.210 39.792 38.460 0.202 0.000 1.170 467 Y HN 0.369 nan 8.280 nan 0.000 0.470 468 V N 8.918 128.560 119.914 -0.454 0.000 2.304 468 V HA 0.356 4.476 4.120 -0.000 0.000 0.278 468 V C -2.234 173.507 176.094 -0.588 0.000 1.018 468 V CA -2.021 60.085 62.300 -0.323 0.000 0.814 468 V CB 0.929 32.653 31.823 -0.164 0.000 1.021 468 V HN 0.688 nan 8.190 nan 0.000 0.440 469 P HA 0.105 nan 4.420 nan 0.000 0.266 469 P C 0.230 177.475 177.300 -0.091 0.000 1.195 469 P CA 0.051 62.937 63.100 -0.355 0.000 0.768 469 P CB 0.788 32.339 31.700 -0.248 0.000 0.838 470 Q N 0.795 120.609 119.800 0.025 0.000 2.408 470 Q HA 0.109 4.449 4.340 -0.000 0.000 0.205 470 Q C 0.174 176.247 176.000 0.122 0.000 0.919 470 Q CA 0.868 56.712 55.803 0.068 0.000 0.932 470 Q CB 0.663 29.446 28.738 0.075 0.000 1.058 470 Q HN 0.639 nan 8.270 nan 0.000 0.517 471 E N -0.025 120.301 120.200 0.209 0.000 2.408 471 E HA 0.282 4.632 4.350 -0.000 0.000 0.275 471 E C -1.448 175.288 176.600 0.227 0.000 0.935 471 E CA -0.680 55.823 56.400 0.171 0.000 0.775 471 E CB 1.435 31.209 29.700 0.124 0.000 1.277 471 E HN -0.111 nan 8.360 nan 0.000 0.455 472 D N -0.178 120.312 120.400 0.151 0.000 2.344 472 D HA 0.597 5.237 4.640 -0.000 0.000 0.244 472 D C 0.255 176.622 176.300 0.112 0.000 1.134 472 D CA 1.107 55.203 54.000 0.159 0.000 0.930 472 D CB 1.198 42.061 40.800 0.104 0.000 1.175 472 D HN 0.624 nan 8.370 nan 0.000 0.437 473 G N 0.645 109.515 108.800 0.116 0.000 2.302 473 G HA2 0.022 3.982 3.960 -0.000 0.000 0.276 473 G HA3 0.022 3.982 3.960 -0.000 0.000 0.276 473 G C -1.572 173.327 174.900 -0.003 0.000 1.316 473 G CA -0.931 44.172 45.100 0.004 0.000 0.988 473 G HN 0.416 nan 8.290 nan 0.000 0.479 474 D N 0.321 120.656 120.400 -0.108 0.000 2.264 474 D HA 0.614 5.254 4.640 -0.000 0.000 0.250 474 D C -0.739 175.410 176.300 -0.250 0.000 1.113 474 D CA 0.567 54.517 54.000 -0.083 0.000 0.871 474 D CB 0.804 41.567 40.800 -0.062 0.000 1.167 474 D HN 0.314 nan 8.370 nan 0.000 0.447 475 Y N 0.975 121.200 120.300 -0.125 0.000 2.429 475 Y HA 0.463 5.013 4.550 0.000 0.000 0.342 475 Y C 0.187 175.879 175.900 -0.347 0.000 1.004 475 Y CA -0.938 56.998 58.100 -0.273 0.000 1.075 475 Y CB 1.321 39.525 38.460 -0.427 0.000 1.214 475 Y HN 0.160 nan 8.280 nan 0.000 0.455 476 I N 4.008 124.444 120.570 -0.223 0.000 2.312 476 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 476 I C -0.985 174.935 176.117 -0.328 0.000 1.008 476 I CA -0.411 60.773 61.300 -0.194 0.000 1.226 476 I CB 0.452 38.394 38.000 -0.097 0.000 1.371 476 I HN 0.336 nan 8.210 nan 0.000 0.468 477 F N 3.787 123.663 119.950 -0.123 0.000 2.399 477 F HA 0.589 5.116 4.527 -0.000 0.000 0.328 477 F C 0.741 176.480 175.800 -0.101 0.000 1.084 477 F CA -0.281 57.615 58.000 -0.173 0.000 1.053 477 F CB 1.862 40.592 39.000 -0.449 0.000 1.209 477 F HN 0.503 nan 8.300 nan 0.000 0.502 478 S N 2.296 118.132 115.700 0.227 0.000 2.564 478 S HA 0.823 5.293 4.470 -0.000 0.000 0.274 478 S C -1.818 172.909 174.600 0.212 0.000 1.124 478 S CA -0.765 57.523 58.200 0.147 0.000 0.869 478 S CB 1.993 65.220 63.200 0.046 0.000 1.105 478 S HN 0.621 nan 8.310 nan 0.000 0.472 479 L N 1.420 122.702 121.223 0.099 0.000 2.470 479 L HA 0.592 4.932 4.340 -0.000 0.000 0.268 479 L C -1.305 175.488 176.870 -0.127 0.000 0.964 479 L CA -0.049 54.807 54.840 0.026 0.000 0.839 479 L CB 1.933 44.054 42.059 0.103 0.000 1.276 479 L HN 0.952 nan 8.230 nan 0.000 0.403 480 Q N 3.951 123.561 119.800 -0.316 0.000 2.375 480 Q HA 0.854 5.194 4.340 -0.000 0.000 0.271 480 Q C -1.355 174.202 176.000 -0.739 0.000 1.074 480 Q CA -0.926 54.524 55.803 -0.589 0.000 0.808 480 Q CB 3.311 31.454 28.738 -0.991 0.000 1.327 480 Q HN 0.587 nan 8.270 nan 0.000 0.441 481 V N -0.943 118.727 119.914 -0.406 0.000 3.087 481 V HA 0.595 4.715 4.120 -0.000 0.000 0.306 481 V C -2.037 174.228 176.094 0.285 0.000 1.187 481 V CA -0.836 61.450 62.300 -0.024 0.000 0.999 481 V CB 2.020 33.875 31.823 0.053 0.000 1.049 481 V HN 0.853 nan 8.190 nan 0.000 0.431 482 Y N 3.420 123.912 120.300 0.320 0.000 2.388 482 Y HA 0.774 5.324 4.550 0.000 0.000 0.328 482 Y C 0.491 176.401 175.900 0.017 0.000 0.963 482 Y CA 0.983 59.165 58.100 0.137 0.000 1.240 482 Y CB 0.915 39.471 38.460 0.158 0.000 1.118 482 Y HN 1.723 nan 8.280 nan 0.000 0.484 483 G N 2.771 111.365 108.800 -0.344 0.000 2.456 483 G HA2 0.042 4.002 3.960 -0.000 0.000 0.204 483 G HA3 0.042 4.002 3.960 -0.000 0.000 0.204 483 G C -1.023 173.626 174.900 -0.418 0.000 1.193 483 G CA -0.365 44.465 45.100 -0.449 0.000 1.220 483 G HN 1.205 nan 8.290 nan 0.000 0.565 484 S N -0.304 115.079 115.700 -0.529 0.000 2.547 484 S HA 0.834 5.304 4.470 -0.000 0.000 0.281 484 S C -0.264 174.120 174.600 -0.361 0.000 1.118 484 S CA 0.886 58.846 58.200 -0.401 0.000 0.947 484 S CB 1.531 64.505 63.200 -0.378 0.000 1.053 484 S HN 2.424 nan 8.310 nan 0.000 0.482 485 G N 2.509 111.173 108.800 -0.227 0.000 2.731 485 G HA2 0.665 4.625 3.960 -0.000 0.000 0.298 485 G HA3 0.665 4.625 3.960 -0.000 0.000 0.298 485 G C -1.930 172.867 174.900 -0.172 0.000 1.424 485 G CA -0.648 44.337 45.100 -0.191 0.000 1.029 485 G HN 0.803 nan 8.290 nan 0.000 0.518 486 L N 1.535 122.653 121.223 -0.175 0.000 2.436 486 L HA 0.530 4.870 4.340 -0.000 0.000 0.268 486 L C -1.115 175.614 176.870 -0.236 0.000 0.974 486 L CA -0.670 54.038 54.840 -0.219 0.000 0.826 486 L CB 2.796 44.725 42.059 -0.217 0.000 1.291 486 L HN 0.587 nan 8.230 nan 0.000 0.406 487 F N 2.824 122.498 119.950 -0.459 0.000 2.426 487 F HA 0.537 5.064 4.527 0.001 0.000 0.348 487 F C -1.061 174.432 175.800 -0.512 0.000 1.124 487 F CA -0.698 57.087 58.000 -0.359 0.000 1.008 487 F CB 0.975 39.833 39.000 -0.237 0.000 1.139 487 F HN 0.315 nan 8.300 nan 0.000 0.452 488 Y N 5.945 126.500 120.300 0.426 0.000 2.352 488 Y HA 0.495 5.045 4.550 -0.000 0.000 0.339 488 Y C -0.859 175.076 175.900 0.059 0.000 0.992 488 Y CA -0.939 57.235 58.100 0.122 0.000 1.100 488 Y CB 1.769 40.261 38.460 0.053 0.000 1.192 488 Y HN 0.437 nan 8.280 nan 0.000 0.458 489 L N 4.564 125.788 121.223 0.002 0.000 2.313 489 L HA 0.455 4.795 4.340 -0.000 0.000 0.283 489 L C -0.234 176.668 176.870 0.053 0.000 1.013 489 L CA -0.506 54.288 54.840 -0.078 0.000 0.816 489 L CB 0.750 42.592 42.059 -0.362 0.000 1.236 489 L HN 0.684 nan 8.230 nan 0.000 0.419 490 N N 3.880 122.640 118.700 0.100 0.000 2.707 490 N HA -0.251 4.489 4.740 -0.000 0.000 0.253 490 N C -0.130 175.419 175.510 0.065 0.000 0.998 490 N CA 1.262 54.364 53.050 0.088 0.000 0.751 490 N CB -0.842 37.709 38.487 0.106 0.000 0.920 490 N HN 0.831 nan 8.380 nan 0.000 0.539 491 D N -2.594 117.850 120.400 0.074 0.000 3.059 491 D HA -0.217 4.423 4.640 -0.000 0.000 0.213 491 D C -0.222 176.149 176.300 0.119 0.000 1.144 491 D CA 1.267 55.280 54.000 0.021 0.000 0.975 491 D CB -0.917 39.849 40.800 -0.057 0.000 1.125 491 D HN 0.654 nan 8.370 nan 0.000 0.412 492 E N 0.025 120.321 120.200 0.160 0.000 2.175 492 E HA 0.406 4.756 4.350 -0.000 0.000 0.278 492 E C -0.052 176.656 176.600 0.180 0.000 0.969 492 E CA -0.909 55.587 56.400 0.160 0.000 0.796 492 E CB 1.571 31.307 29.700 0.060 0.000 1.104 492 E HN 0.019 nan 8.360 nan 0.000 0.395 493 L N 5.214 126.520 121.223 0.138 0.000 2.513 493 L HA 0.051 4.391 4.340 -0.000 0.000 0.272 493 L C 0.259 177.009 176.870 -0.200 0.000 1.187 493 L CA 0.922 55.625 54.840 -0.228 0.000 0.895 493 L CB 0.226 42.151 42.059 -0.224 0.000 1.147 493 L HN 0.710 nan 8.230 nan 0.000 0.483 494 I N 2.160 122.553 120.570 -0.294 0.000 3.812 494 I HA 0.361 4.531 4.170 -0.000 0.000 0.292 494 I C 0.204 176.184 176.117 -0.229 0.000 1.206 494 I CA -0.037 61.100 61.300 -0.272 0.000 1.370 494 I CB 0.140 37.903 38.000 -0.394 0.000 1.328 494 I HN 0.314 nan 8.210 nan 0.000 0.453 495 I N 2.623 123.058 120.570 -0.225 0.000 2.404 495 I HA 0.338 4.508 4.170 -0.000 0.000 0.293 495 I C -1.086 174.968 176.117 -0.105 0.000 0.992 495 I CA -0.402 60.830 61.300 -0.113 0.000 1.149 495 I CB 1.656 39.637 38.000 -0.032 0.000 1.315 495 I HN 0.088 nan 8.210 nan 0.000 0.446 496 D N 6.492 126.846 120.400 -0.077 0.000 2.427 496 D HA 0.181 4.820 4.640 -0.000 0.000 0.226 496 D C -0.410 175.861 176.300 -0.047 0.000 1.076 496 D CA -0.216 53.752 54.000 -0.055 0.000 0.849 496 D CB 1.194 41.997 40.800 0.006 0.000 1.052 496 D HN 0.402 nan 8.370 nan 0.000 0.515 497 Q N 3.303 123.052 119.800 -0.086 0.000 2.263 497 Q HA 0.114 4.454 4.340 -0.000 0.000 0.337 497 Q C 0.493 176.396 176.000 -0.161 0.000 0.906 497 Q CA -0.100 55.642 55.803 -0.103 0.000 1.124 497 Q CB 1.296 29.972 28.738 -0.103 0.000 1.255 497 Q HN 0.531 nan 8.270 nan 0.000 0.435 498 K N -0.566 119.712 120.400 -0.204 0.000 2.325 498 K HA 0.086 4.406 4.320 -0.000 0.000 0.203 498 K C -0.239 176.114 176.600 -0.412 0.000 1.128 498 K CA 0.255 56.320 56.287 -0.369 0.000 0.931 498 K CB 0.550 32.739 32.500 -0.520 0.000 1.125 498 K HN 0.217 nan 8.250 nan 0.000 0.487 499 H N 0.767 119.796 119.070 -0.069 0.000 2.489 499 H HA 0.286 4.842 4.556 0.000 0.000 0.322 499 H C -0.768 174.531 175.328 -0.049 0.000 1.091 499 H CA 0.104 56.120 56.048 -0.053 0.000 1.291 499 H CB 0.974 30.708 29.762 -0.046 0.000 1.436 499 H HN 0.277 nan 8.280 nan 0.000 0.480 500 N N 1.623 120.361 118.700 0.064 0.000 2.758 500 N HA -0.239 4.501 4.740 -0.000 0.000 0.248 500 N C -0.859 174.650 175.510 -0.002 0.000 1.076 500 N CA -0.043 53.025 53.050 0.029 0.000 0.696 500 N CB -0.742 37.766 38.487 0.035 0.000 0.979 500 N HN 0.673 nan 8.380 nan 0.000 0.550 501 Q N 0.958 120.741 119.800 -0.029 0.000 2.263 501 Q HA 0.022 4.362 4.340 -0.000 0.000 0.289 501 Q C -0.067 175.916 176.000 -0.029 0.000 1.061 501 Q CA 0.715 56.489 55.803 -0.047 0.000 0.927 501 Q CB 0.512 29.198 28.738 -0.087 0.000 1.154 501 Q HN 0.312 nan 8.270 nan 0.000 0.378 502 E N 2.929 123.117 120.200 -0.021 0.000 2.151 502 E HA 0.245 4.595 4.350 -0.000 0.000 0.275 502 E C -0.452 176.145 176.600 -0.005 0.000 0.936 502 E CA -0.828 55.566 56.400 -0.010 0.000 0.777 502 E CB 1.441 31.138 29.700 -0.006 0.000 1.108 502 E HN 0.259 nan 8.360 nan 0.000 0.401 503 R N 1.615 122.116 120.500 0.003 0.000 2.585 503 R HA 0.199 4.539 4.340 -0.000 0.000 0.275 503 R C 0.060 176.370 176.300 0.017 0.000 1.018 503 R CA 0.525 56.635 56.100 0.017 0.000 1.072 503 R CB 0.743 31.057 30.300 0.023 0.000 0.953 503 R HN 0.825 nan 8.270 nan 0.000 0.419 504 G N 0.158 108.977 108.800 0.032 0.000 2.871 504 G HA2 0.091 4.051 3.960 -0.000 0.000 0.282 504 G HA3 0.091 4.051 3.960 -0.000 0.000 0.282 504 G C 0.013 174.914 174.900 0.003 0.000 1.212 504 G CA -0.353 44.754 45.100 0.011 0.000 0.812 504 G HN 0.456 nan 8.290 nan 0.000 0.547 505 S N -0.682 115.001 115.700 -0.028 0.000 2.470 505 S HA 0.199 4.669 4.470 -0.000 0.000 0.225 505 S C 0.641 175.312 174.600 0.117 0.000 1.006 505 S CA -0.056 58.091 58.200 -0.088 0.000 0.934 505 S CB -0.222 62.867 63.200 -0.185 0.000 0.778 505 S HN 0.329 nan 8.310 nan 0.000 0.517 506 F N 1.734 121.688 119.950 0.007 0.000 2.563 506 F HA 0.168 4.694 4.527 -0.000 0.000 0.363 506 F C 0.911 176.734 175.800 0.037 0.000 1.123 506 F CA -0.711 57.291 58.000 0.003 0.000 1.307 506 F CB 0.129 39.125 39.000 -0.006 0.000 1.115 506 F HN 0.154 nan 8.300 nan 0.000 0.592 507 C N 7.486 126.198 119.300 -0.980 0.000 3.827 507 C HA -0.240 4.220 4.460 -0.000 0.000 0.304 507 C C 0.384 175.283 174.990 -0.152 0.000 1.201 507 C CA 0.123 58.693 59.018 -0.746 0.000 2.253 507 C CB -3.085 24.399 27.740 -0.426 0.000 1.398 507 C HN 1.060 nan 8.230 nan 0.000 0.601 508 F N -0.696 119.135 119.950 -0.198 0.000 3.093 508 F HA -0.197 4.329 4.527 -0.001 0.000 0.287 508 F C 1.508 177.391 175.800 0.138 0.000 0.882 508 F CA 1.984 59.952 58.000 -0.053 0.000 1.063 508 F CB -1.595 37.360 39.000 -0.075 0.000 1.097 508 F HN 1.829 nan 8.300 nan 0.000 0.604 509 G N -1.244 107.776 108.800 0.366 0.000 2.162 509 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.260 509 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.260 509 G C 0.899 175.926 174.900 0.212 0.000 0.976 509 G CA 0.491 45.785 45.100 0.323 0.000 0.655 509 G HN 1.552 nan 8.290 nan 0.000 0.533 510 A N -0.361 122.601 122.820 0.236 0.000 2.252 510 A HA 0.691 5.010 4.320 -0.000 0.000 0.213 510 A C 1.801 179.562 177.584 0.295 0.000 1.188 510 A CA 1.557 53.754 52.037 0.267 0.000 0.863 510 A CB -0.041 19.161 19.000 0.336 0.000 0.893 510 A HN 1.571 nan 8.150 nan 0.000 0.495 511 G N -0.256 108.725 108.800 0.302 0.000 2.546 511 G HA2 0.409 4.369 3.960 -0.000 0.000 0.239 511 G HA3 0.409 4.369 3.960 -0.000 0.000 0.239 511 G C 0.473 175.476 174.900 0.171 0.000 1.476 511 G CA 0.515 45.804 45.100 0.315 0.000 1.064 511 G HN 0.525 nan 8.290 nan 0.000 0.561 512 T N -1.997 112.652 114.554 0.159 0.000 2.881 512 T HA 0.503 4.853 4.350 -0.000 0.000 0.278 512 T C 0.231 174.967 174.700 0.060 0.000 0.982 512 T CA -0.622 61.509 62.100 0.053 0.000 0.989 512 T CB 1.496 70.353 68.868 -0.017 0.000 1.058 512 T HN 0.379 nan 8.240 nan 0.000 0.529 513 K N 0.478 120.888 120.400 0.017 0.000 2.187 513 K HA 0.131 4.451 4.320 -0.000 0.000 0.247 513 K C 0.413 177.004 176.600 -0.015 0.000 1.019 513 K CA -0.289 56.002 56.287 0.006 0.000 0.893 513 K CB 0.369 32.868 32.500 -0.003 0.000 1.025 513 K HN 0.718 nan 8.250 nan 0.000 0.500 514 E N 1.563 121.754 120.200 -0.015 0.000 2.290 514 E HA 0.030 4.380 4.350 -0.000 0.000 0.277 514 E C -0.794 175.794 176.600 -0.020 0.000 1.035 514 E CA -0.105 56.277 56.400 -0.030 0.000 0.873 514 E CB 0.684 30.375 29.700 -0.015 0.000 1.029 514 E HN 0.243 nan 8.360 nan 0.000 0.419 515 R N 1.962 122.447 120.500 -0.025 0.000 2.664 515 R HA 0.449 4.789 4.340 -0.000 0.000 0.286 515 R C -0.645 175.653 176.300 -0.003 0.000 0.967 515 R CA -0.472 55.620 56.100 -0.015 0.000 0.933 515 R CB 1.978 32.264 30.300 -0.022 0.000 1.146 515 R HN 0.638 nan 8.270 nan 0.000 0.468 516 T N -1.029 113.523 114.554 -0.003 0.000 2.901 516 T HA 0.609 4.959 4.350 -0.000 0.000 0.293 516 T C -1.061 173.631 174.700 -0.012 0.000 1.084 516 T CA -1.060 61.042 62.100 0.003 0.000 1.008 516 T CB 2.103 70.976 68.868 0.009 0.000 1.170 516 T HN 0.295 nan 8.240 nan 0.000 0.509 517 K N 0.703 121.100 120.400 -0.005 0.000 2.601 517 K HA 0.454 4.774 4.320 -0.000 0.000 0.249 517 K C -1.222 175.406 176.600 0.045 0.000 0.966 517 K CA -0.578 55.706 56.287 -0.005 0.000 0.827 517 K CB 1.718 34.180 32.500 -0.063 0.000 1.178 517 K HN 0.743 nan 8.250 nan 0.000 0.437 518 K N 4.904 125.318 120.400 0.024 0.000 2.258 518 K HA 0.451 4.771 4.320 -0.000 0.000 0.284 518 K C -1.104 175.524 176.600 0.047 0.000 1.051 518 K CA -0.358 55.943 56.287 0.023 0.000 0.923 518 K CB 0.459 32.960 32.500 0.002 0.000 1.046 518 K HN 0.551 nan 8.250 nan 0.000 0.474 519 L N 3.333 124.605 121.223 0.081 0.000 2.408 519 L HA 0.339 4.679 4.340 -0.000 0.000 0.268 519 L C -0.395 176.533 176.870 0.096 0.000 0.986 519 L CA -1.019 53.876 54.840 0.092 0.000 0.820 519 L CB 2.399 44.533 42.059 0.126 0.000 1.303 519 L HN 0.660 nan 8.230 nan 0.000 0.411 520 T N 3.327 117.929 114.554 0.080 0.000 2.870 520 T HA 0.467 4.817 4.350 -0.000 0.000 0.300 520 T C -0.333 174.441 174.700 0.123 0.000 0.989 520 T CA -0.072 62.086 62.100 0.098 0.000 1.139 520 T CB 0.592 69.506 68.868 0.076 0.000 0.920 520 T HN 0.096 nan 8.240 nan 0.000 0.537 521 L N 2.958 124.288 121.223 0.179 0.000 2.371 521 L HA 0.624 4.964 4.340 -0.000 0.000 0.262 521 L C -0.469 176.554 176.870 0.254 0.000 1.006 521 L CA -0.897 54.050 54.840 0.178 0.000 0.818 521 L CB 2.214 44.319 42.059 0.077 0.000 1.354 521 L HN 0.378 nan 8.230 nan 0.000 0.415 522 K N 1.528 122.126 120.400 0.329 0.000 2.274 522 K HA 0.411 4.731 4.320 -0.000 0.000 0.262 522 K C -0.731 176.007 176.600 0.229 0.000 0.961 522 K CA -0.688 55.748 56.287 0.248 0.000 0.833 522 K CB 1.337 33.957 32.500 0.201 0.000 1.102 522 K HN 0.399 nan 8.250 nan 0.000 0.436 523 K N 0.859 121.355 120.400 0.160 0.000 2.559 523 K HA -0.028 4.292 4.320 -0.000 0.000 0.279 523 K C 0.937 177.577 176.600 0.066 0.000 0.967 523 K CA 1.570 57.921 56.287 0.108 0.000 1.000 523 K CB 0.039 32.591 32.500 0.087 0.000 0.890 523 K HN 0.687 nan 8.250 nan 0.000 0.501 524 G N 1.765 110.582 108.800 0.028 0.000 2.366 524 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.263 524 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.263 524 G C 0.253 175.141 174.900 -0.021 0.000 0.986 524 G CA 1.071 46.169 45.100 -0.002 0.000 0.632 524 G HN 0.787 nan 8.290 nan 0.000 0.555 525 Q N 0.027 119.821 119.800 -0.010 0.000 2.432 525 Q HA 0.455 4.795 4.340 -0.000 0.000 0.264 525 Q C -0.183 175.695 176.000 -0.204 0.000 1.035 525 Q CA -0.166 55.557 55.803 -0.133 0.000 0.908 525 Q CB 0.785 29.409 28.738 -0.190 0.000 1.280 525 Q HN 0.228 nan 8.270 nan 0.000 0.455 526 V N 4.425 124.142 119.914 -0.329 0.000 2.370 526 V HA 0.301 4.421 4.120 -0.000 0.000 0.283 526 V C -1.230 174.654 176.094 -0.350 0.000 1.023 526 V CA -0.392 61.786 62.300 -0.202 0.000 0.857 526 V CB 0.648 32.409 31.823 -0.102 0.000 0.985 526 V HN 0.648 nan 8.190 nan 0.000 0.443 527 Y N 3.108 123.455 120.300 0.077 0.000 2.393 527 Y HA 0.479 5.029 4.550 -0.000 0.000 0.341 527 Y C 0.527 176.487 175.900 0.101 0.000 0.988 527 Y CA -0.991 57.164 58.100 0.092 0.000 1.078 527 Y CB 1.459 40.003 38.460 0.140 0.000 1.203 527 Y HN 0.485 nan 8.280 nan 0.000 0.453 528 N N 2.662 121.483 118.700 0.201 0.000 2.420 528 N HA 0.274 5.014 4.740 -0.000 0.000 0.249 528 N C -0.885 174.724 175.510 0.165 0.000 1.033 528 N CA -0.257 52.882 53.050 0.148 0.000 0.944 528 N CB 1.320 39.858 38.487 0.086 0.000 1.113 528 N HN 0.476 nan 8.380 nan 0.000 0.502 529 V N 1.015 121.041 119.914 0.186 0.000 2.567 529 V HA 0.636 4.756 4.120 -0.000 0.000 0.289 529 V C 0.310 176.490 176.094 0.143 0.000 1.049 529 V CA -0.675 61.752 62.300 0.212 0.000 0.969 529 V CB 1.491 33.463 31.823 0.249 0.000 0.995 529 V HN 0.518 nan 8.190 nan 0.000 0.471 530 R N 2.922 123.519 120.500 0.161 0.000 2.508 530 R HA 0.648 4.988 4.340 -0.000 0.000 0.283 530 R C -2.117 174.205 176.300 0.036 0.000 1.120 530 R CA -0.442 55.713 56.100 0.092 0.000 0.958 530 R CB 2.491 32.863 30.300 0.120 0.000 1.215 530 R HN 0.747 nan 8.270 nan 0.000 0.427 531 V N 3.922 123.767 119.914 -0.115 0.000 2.448 531 V HA 0.353 4.473 4.120 -0.000 0.000 0.295 531 V C -0.233 175.777 176.094 -0.140 0.000 1.025 531 V CA -0.883 61.284 62.300 -0.221 0.000 0.859 531 V CB 1.838 33.402 31.823 -0.431 0.000 0.988 531 V HN 0.582 nan 8.190 nan 0.000 0.431 532 E N 3.693 123.860 120.200 -0.056 0.000 2.197 532 E HA 0.444 4.794 4.350 -0.000 0.000 0.281 532 E C -1.380 175.130 176.600 -0.151 0.000 0.995 532 E CA -0.371 55.994 56.400 -0.058 0.000 0.808 532 E CB 2.480 32.215 29.700 0.057 0.000 1.093 532 E HN 0.666 nan 8.360 nan 0.000 0.394 533 Y N 0.148 120.262 120.300 -0.310 0.000 2.504 533 Y HA 0.544 5.094 4.550 -0.000 0.000 0.344 533 Y C -0.578 175.197 175.900 -0.208 0.000 1.023 533 Y CA -0.697 57.145 58.100 -0.431 0.000 1.020 533 Y CB 2.050 39.952 38.460 -0.931 0.000 1.282 533 Y HN 0.509 nan 8.280 nan 0.000 0.454 534 G N 3.121 111.223 108.800 -1.164 0.000 2.513 534 G HA2 0.473 4.433 3.960 -0.000 0.000 0.317 534 G HA3 0.473 4.433 3.960 -0.000 0.000 0.317 534 G C -0.903 172.995 174.900 -1.671 0.000 1.277 534 G CA -0.574 43.793 45.100 -1.221 0.000 0.955 534 G HN 0.898 nan 8.290 nan 0.000 0.484 535 S N 1.197 116.065 115.700 -1.387 0.000 2.587 535 S HA 0.333 4.803 4.470 -0.000 0.000 0.260 535 S C 1.978 176.241 174.600 -0.563 0.000 1.353 535 S CA 0.351 58.027 58.200 -0.874 0.000 0.995 535 S CB 0.871 63.391 63.200 -1.133 0.000 0.912 535 S HN 1.315 nan 8.310 nan 0.000 0.568 536 G N 1.504 110.201 108.800 -0.171 0.000 2.624 536 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.221 536 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.221 536 G C -1.017 173.810 174.900 -0.121 0.000 1.169 536 G CA 1.257 46.282 45.100 -0.124 0.000 0.771 536 G HN 0.705 nan 8.290 nan 0.000 0.598 537 P HA 0.024 nan 4.420 nan 0.000 0.233 537 P C 2.029 179.325 177.300 -0.007 0.000 1.167 537 P CA 1.789 64.986 63.100 0.160 0.000 0.770 537 P CB -0.109 31.748 31.700 0.262 0.000 0.837 538 T N -3.412 110.868 114.554 -0.457 0.000 2.851 538 T HA -0.044 4.306 4.350 -0.000 0.000 0.262 538 T C 1.294 175.855 174.700 -0.232 0.000 1.043 538 T CA 0.778 62.505 62.100 -0.622 0.000 1.140 538 T CB -1.068 67.151 68.868 -1.082 0.000 0.872 538 T HN 0.196 nan 8.240 nan 0.000 0.446 544 E N -0.224 119.558 120.200 -0.696 0.000 2.133 544 E HA 0.675 5.025 4.350 -0.000 0.000 0.274 544 E C -1.332 175.011 176.600 -0.430 0.000 0.930 544 E CA -0.549 55.583 56.400 -0.447 0.000 0.770 544 E CB 0.732 30.291 29.700 -0.234 0.000 1.104 544 E HN 0.281 nan 8.360 nan 0.000 0.403 545 F N 2.163 122.149 119.950 0.059 0.000 2.507 545 F HA 0.637 5.164 4.527 -0.001 0.000 0.327 545 F C 1.196 177.098 175.800 0.171 0.000 1.068 545 F CA -0.851 57.246 58.000 0.162 0.000 0.965 545 F CB 1.983 41.096 39.000 0.188 0.000 1.192 545 F HN 0.595 nan 8.300 nan 0.000 0.476 546 G N 0.127 109.195 108.800 0.447 0.000 2.563 546 G HA2 0.405 4.365 3.960 -0.000 0.000 0.283 546 G HA3 0.405 4.365 3.960 -0.000 0.000 0.283 546 G C 0.723 175.812 174.900 0.315 0.000 1.309 546 G CA -0.113 45.157 45.100 0.284 0.000 1.022 546 G HN 0.838 nan 8.290 nan 0.000 0.501 547 A N -1.395 121.619 122.820 0.324 0.000 1.930 547 A HA 0.430 4.750 4.320 -0.000 0.000 0.217 547 A C 1.857 179.600 177.584 0.265 0.000 1.175 547 A CA 2.116 54.361 52.037 0.345 0.000 0.627 547 A CB -1.063 18.234 19.000 0.496 0.000 0.815 547 A HN 2.573 nan 8.150 nan 0.000 0.443 548 G N -2.517 106.363 108.800 0.133 0.000 2.484 548 G HA2 0.421 4.381 3.960 -0.000 0.000 0.225 548 G HA3 0.421 4.381 3.960 -0.000 0.000 0.225 548 G C 0.485 175.472 174.900 0.145 0.000 1.250 548 G CA -0.056 45.057 45.100 0.022 0.000 0.926 548 G HN 2.282 nan 8.290 nan 0.000 0.581 549 G N -2.072 106.899 108.800 0.285 0.000 2.322 549 G HA2 0.805 4.765 3.960 -0.000 0.000 0.295 549 G HA3 0.805 4.765 3.960 -0.000 0.000 0.295 549 G C -0.967 174.139 174.900 0.342 0.000 1.369 549 G CA 0.322 45.512 45.100 0.150 0.000 0.821 549 G HN 2.362 nan 8.290 nan 0.000 0.536 550 F N -1.933 117.996 119.950 -0.035 0.000 2.741 550 F HA 0.862 5.389 4.527 -0.000 0.000 0.311 550 F C -1.218 174.453 175.800 -0.215 0.000 1.149 550 F CA -1.100 56.759 58.000 -0.235 0.000 0.930 550 F CB 2.100 40.832 39.000 -0.447 0.000 1.312 550 F HN 0.693 nan 8.300 nan 0.000 0.450 551 Q N 2.253 121.857 119.800 -0.327 0.000 2.275 551 Q HA 0.749 5.089 4.340 -0.000 0.000 0.266 551 Q C -1.887 174.051 176.000 -0.104 0.000 1.002 551 Q CA -0.872 54.785 55.803 -0.242 0.000 0.761 551 Q CB 2.127 30.759 28.738 -0.176 0.000 1.255 551 Q HN 1.190 nan 8.270 nan 0.000 0.446 552 A N 2.524 125.314 122.820 -0.050 0.000 2.292 552 A HA 0.905 5.225 4.320 -0.000 0.000 0.319 552 A C -0.195 177.407 177.584 0.031 0.000 1.206 552 A CA 0.137 52.149 52.037 -0.041 0.000 0.835 552 A CB 1.269 20.090 19.000 -0.299 0.000 1.164 552 A HN 0.760 nan 8.150 nan 0.000 0.505 553 G N -0.553 108.333 108.800 0.144 0.000 2.672 553 G HA2 0.618 4.578 3.960 -0.000 0.000 0.292 553 G HA3 0.618 4.578 3.960 -0.000 0.000 0.292 553 G C -1.714 173.229 174.900 0.073 0.000 1.375 553 G CA -0.466 44.673 45.100 0.064 0.000 0.890 553 G HN 1.433 nan 8.290 nan 0.000 0.476 554 V N 1.009 120.862 119.914 -0.101 0.000 2.808 554 V HA 0.801 4.921 4.120 -0.000 0.000 0.308 554 V C -1.254 174.699 176.094 -0.235 0.000 1.099 554 V CA -0.790 61.329 62.300 -0.301 0.000 0.920 554 V CB 1.693 33.122 31.823 -0.656 0.000 1.014 554 V HN 0.801 nan 8.190 nan 0.000 0.425 555 I N 4.403 124.835 120.570 -0.230 0.000 2.730 555 I HA 0.562 4.732 4.170 -0.000 0.000 0.298 555 I C -0.852 175.210 176.117 -0.092 0.000 1.089 555 I CA -1.057 60.143 61.300 -0.167 0.000 1.041 555 I CB 2.139 39.940 38.000 -0.332 0.000 1.235 555 I HN 0.632 nan 8.210 nan 0.000 0.423 556 K N 6.029 126.391 120.400 -0.063 0.000 2.338 556 K HA 0.440 4.760 4.320 -0.000 0.000 0.290 556 K C -0.395 176.121 176.600 -0.140 0.000 1.069 556 K CA -0.082 56.025 56.287 -0.300 0.000 0.941 556 K CB 0.497 32.913 32.500 -0.140 0.000 1.023 556 K HN 0.551 nan 8.250 nan 0.000 0.477 557 A N 5.291 127.980 122.820 -0.219 0.000 2.520 557 A HA 0.387 4.707 4.320 -0.000 0.000 0.235 557 A C 0.343 177.906 177.584 -0.035 0.000 1.065 557 A CA 0.125 52.126 52.037 -0.060 0.000 0.764 557 A CB -0.457 18.489 19.000 -0.090 0.000 1.002 557 A HN 0.889 nan 8.150 nan 0.000 0.502 558 I N -1.856 118.729 120.570 0.025 0.000 3.264 558 I HA 0.569 4.739 4.170 -0.000 0.000 0.315 558 I C -0.875 175.216 176.117 -0.043 0.000 1.154 558 I CA -1.053 60.224 61.300 -0.039 0.000 0.962 558 I CB 2.123 40.060 38.000 -0.105 0.000 1.265 558 I HN 0.407 nan 8.210 nan 0.000 0.463 559 D N 2.478 122.842 120.400 -0.059 0.000 2.422 559 D HA 0.124 4.764 4.640 -0.000 0.000 0.227 559 D C 0.519 176.776 176.300 -0.072 0.000 1.190 559 D CA 0.092 54.061 54.000 -0.050 0.000 0.905 559 D CB 0.659 41.433 40.800 -0.042 0.000 1.034 559 D HN 0.503 nan 8.370 nan 0.000 0.507 560 D N 2.889 123.252 120.400 -0.063 0.000 2.103 560 D HA -0.204 4.436 4.640 -0.000 0.000 0.190 560 D C 1.145 177.405 176.300 -0.067 0.000 0.997 560 D CA 1.131 55.084 54.000 -0.079 0.000 0.833 560 D CB 0.092 40.870 40.800 -0.037 0.000 0.961 560 D HN 0.495 nan 8.370 nan 0.000 0.447 561 D N 0.243 120.618 120.400 -0.042 0.000 2.204 561 D HA -0.227 4.413 4.640 -0.000 0.000 0.189 561 D C 1.929 178.201 176.300 -0.046 0.000 1.006 561 D CA 1.844 55.823 54.000 -0.036 0.000 0.855 561 D CB -0.252 40.534 40.800 -0.024 0.000 0.946 561 D HN 0.262 nan 8.370 nan 0.000 0.448 562 E N 0.442 120.612 120.200 -0.049 0.000 2.150 562 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 562 E C 1.724 178.284 176.600 -0.067 0.000 0.985 562 E CA 1.327 57.697 56.400 -0.051 0.000 0.814 562 E CB -0.159 29.514 29.700 -0.045 0.000 0.752 562 E HN 0.167 nan 8.360 nan 0.000 0.466 563 E N -0.021 120.124 120.200 -0.091 0.000 2.216 563 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 563 E C 1.741 178.276 176.600 -0.108 0.000 0.988 563 E CA 0.927 57.257 56.400 -0.117 0.000 0.834 563 E CB -0.253 29.344 29.700 -0.172 0.000 0.772 563 E HN 0.481 nan 8.360 nan 0.000 0.479 564 I N 0.913 121.430 120.570 -0.089 0.000 2.202 564 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 564 I C 2.419 178.496 176.117 -0.066 0.000 1.091 564 I CA 1.445 62.699 61.300 -0.077 0.000 1.368 564 I CB -0.305 37.659 38.000 -0.060 0.000 1.058 564 I HN 0.107 nan 8.210 nan 0.000 0.410 565 R N 0.551 121.018 120.500 -0.054 0.000 2.073 565 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 565 R C 2.059 178.332 176.300 -0.046 0.000 1.134 565 R CA 1.885 57.959 56.100 -0.044 0.000 0.952 565 R CB -1.182 29.097 30.300 -0.035 0.000 0.850 565 R HN 0.303 nan 8.270 nan 0.000 0.433 566 N N 1.456 120.125 118.700 -0.053 0.000 2.036 566 N HA -0.216 4.524 4.740 -0.000 0.000 0.195 566 N C 1.876 177.352 175.510 -0.057 0.000 1.037 566 N CA 2.289 55.308 53.050 -0.052 0.000 0.855 566 N CB -0.379 38.069 38.487 -0.065 0.000 1.033 566 N HN 0.332 nan 8.380 nan 0.000 0.423 567 A N 0.288 123.059 122.820 -0.081 0.000 1.873 567 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 567 A C 2.412 179.957 177.584 -0.065 0.000 1.193 567 A CA 2.597 54.578 52.037 -0.092 0.000 0.629 567 A CB -1.485 17.446 19.000 -0.115 0.000 0.826 567 A HN 0.513 nan 8.150 nan 0.000 0.447 568 A N -0.579 122.205 122.820 -0.059 0.000 1.933 568 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 568 A C 1.919 179.488 177.584 -0.024 0.000 1.175 568 A CA 1.717 53.727 52.037 -0.045 0.000 0.628 568 A CB -0.540 18.432 19.000 -0.046 0.000 0.814 568 A HN 0.668 nan 8.150 nan 0.000 0.444 569 E N -0.139 120.048 120.200 -0.021 0.000 2.051 569 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 569 E C 1.894 178.503 176.600 0.015 0.000 0.991 569 E CA 1.198 57.593 56.400 -0.008 0.000 0.799 569 E CB -0.289 29.404 29.700 -0.012 0.000 0.748 569 E HN 0.618 nan 8.360 nan 0.000 0.449 570 L N 0.275 121.513 121.223 0.025 0.000 2.201 570 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 570 L C 2.412 179.391 176.870 0.182 0.000 1.105 570 L CA 0.779 55.677 54.840 0.096 0.000 0.775 570 L CB -0.320 41.776 42.059 0.063 0.000 0.913 570 L HN 0.158 nan 8.230 nan 0.000 0.440 571 A N -0.281 122.582 122.820 0.073 0.000 1.975 571 A HA 0.091 4.411 4.320 -0.000 0.000 0.215 571 A C 2.518 180.145 177.584 0.072 0.000 1.170 571 A CA 1.031 53.106 52.037 0.064 0.000 0.656 571 A CB -0.354 18.636 19.000 -0.016 0.000 0.821 571 A HN 0.326 nan 8.150 nan 0.000 0.449 572 A N 0.329 123.171 122.820 0.037 0.000 1.933 572 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 572 A C 1.947 179.541 177.584 0.016 0.000 1.175 572 A CA 1.785 53.832 52.037 0.017 0.000 0.628 572 A CB -0.372 18.628 19.000 -0.000 0.000 0.814 572 A HN 0.476 nan 8.150 nan 0.000 0.444 573 K N -0.909 119.502 120.400 0.019 0.000 2.525 573 K HA 0.066 4.386 4.320 -0.000 0.000 0.192 573 K C -0.343 176.161 176.600 -0.161 0.000 1.029 573 K CA 0.200 56.449 56.287 -0.065 0.000 1.029 573 K CB -0.069 32.371 32.500 -0.100 0.000 0.814 573 K HN 0.671 nan 8.250 nan 0.000 0.503 574 H N -0.909 118.156 119.070 -0.008 0.000 2.670 574 H HA 0.127 4.683 4.556 0.000 0.000 0.361 574 H C 0.318 175.643 175.328 -0.006 0.000 1.169 574 H CA -0.735 55.313 56.048 -0.001 0.000 1.198 574 H CB 1.692 31.456 29.762 0.004 0.000 1.700 574 H HN -0.125 nan 8.280 nan 0.000 0.542 575 D N 0.994 121.471 120.400 0.128 0.000 2.097 575 D HA -0.060 4.580 4.640 -0.000 0.000 0.195 575 D C -0.175 176.154 176.300 0.049 0.000 0.989 575 D CA 1.601 55.639 54.000 0.062 0.000 0.827 575 D CB 0.347 41.176 40.800 0.048 0.000 0.966 575 D HN 0.362 nan 8.370 nan 0.000 0.456 576 K N -0.628 119.807 120.400 0.058 0.000 2.469 576 K HA 0.693 5.013 4.320 -0.000 0.000 0.254 576 K C -1.196 175.401 176.600 -0.005 0.000 0.939 576 K CA -0.688 55.605 56.287 0.010 0.000 0.812 576 K CB 3.084 35.574 32.500 -0.017 0.000 1.301 576 K HN -0.087 nan 8.250 nan 0.000 0.433 577 A N 1.581 124.379 122.820 -0.035 0.000 2.337 577 A HA 0.668 4.988 4.320 -0.000 0.000 0.329 577 A C -0.940 176.606 177.584 -0.063 0.000 1.146 577 A CA -0.674 51.325 52.037 -0.064 0.000 0.800 577 A CB 1.098 20.055 19.000 -0.072 0.000 1.220 577 A HN 0.366 nan 8.150 nan 0.000 0.472 578 V N 3.164 123.048 119.914 -0.049 0.000 2.376 578 V HA 0.369 4.489 4.120 -0.000 0.000 0.287 578 V C -0.944 175.138 176.094 -0.019 0.000 1.015 578 V CA -0.407 61.875 62.300 -0.031 0.000 0.834 578 V CB 1.071 32.897 31.823 0.005 0.000 1.001 578 V HN 0.749 nan 8.190 nan 0.000 0.428 579 L N 7.173 128.368 121.223 -0.047 0.000 2.280 579 L HA 0.618 4.958 4.340 -0.000 0.000 0.287 579 L C -0.472 176.389 176.870 -0.015 0.000 1.023 579 L CA -0.151 54.658 54.840 -0.051 0.000 0.819 579 L CB 1.218 43.203 42.059 -0.123 0.000 1.212 579 L HN 0.423 nan 8.230 nan 0.000 0.420 580 I N 7.015 127.609 120.570 0.040 0.000 2.330 580 I HA 0.428 4.598 4.170 -0.000 0.000 0.289 580 I C 0.204 176.381 176.117 0.101 0.000 1.001 580 I CA -0.334 61.014 61.300 0.080 0.000 1.193 580 I CB 0.784 38.861 38.000 0.130 0.000 1.345 580 I HN 0.627 nan 8.210 nan 0.000 0.461 581 I N 2.237 122.875 120.570 0.114 0.000 3.516 581 I HA 1.076 5.246 4.170 -0.000 0.000 0.302 581 I C 0.320 176.561 176.117 0.206 0.000 1.143 581 I CA -0.767 60.627 61.300 0.158 0.000 1.003 581 I CB 2.306 40.403 38.000 0.162 0.000 1.347 581 I HN 0.656 nan 8.210 nan 0.000 0.486 582 G N 0.408 109.346 108.800 0.229 0.000 2.280 582 G HA2 0.091 4.051 3.960 -0.000 0.000 0.277 582 G HA3 0.091 4.051 3.960 -0.000 0.000 0.277 582 G C -1.232 173.811 174.900 0.238 0.000 1.288 582 G CA -0.540 44.706 45.100 0.244 0.000 1.075 582 G HN 0.721 nan 8.290 nan 0.000 0.480 583 L N 0.679 122.082 121.223 0.300 0.000 2.687 583 L HA 0.741 5.081 4.340 -0.000 0.000 0.252 583 L C 0.640 177.835 176.870 0.542 0.000 1.115 583 L CA -0.526 54.548 54.840 0.390 0.000 0.893 583 L CB 1.382 43.664 42.059 0.371 0.000 1.670 583 L HN 1.069 nan 8.230 nan 0.000 0.531 584 N N -2.318 116.708 118.700 0.543 0.000 3.277 584 N HA 0.170 4.910 4.740 -0.000 0.000 0.278 584 N C 0.008 175.480 175.510 -0.062 0.000 1.544 584 N CA -0.213 52.940 53.050 0.173 0.000 0.869 584 N CB 0.697 39.282 38.487 0.163 0.000 1.584 584 N HN 0.448 nan 8.380 nan 0.000 0.564 585 G N -1.265 107.349 108.800 -0.309 0.000 2.956 585 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.207 585 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.207 585 G C 0.468 175.225 174.900 -0.238 0.000 1.162 585 G CA 0.267 45.141 45.100 -0.377 0.000 0.796 585 G HN 0.664 nan 8.290 nan 0.000 0.527 586 E N -1.137 118.954 120.200 -0.181 0.000 2.290 586 E HA 0.054 4.404 4.350 -0.000 0.000 0.197 586 E C 1.691 178.219 176.600 -0.119 0.000 0.948 586 E CA -0.151 56.126 56.400 -0.205 0.000 0.895 586 E CB 0.099 29.617 29.700 -0.303 0.000 0.865 586 E HN 0.654 nan 8.360 nan 0.000 0.486 587 W N 1.570 122.924 121.300 0.089 0.000 2.476 587 W HA 0.059 4.719 4.660 0.000 0.000 0.281 587 W C 0.612 177.211 176.519 0.133 0.000 1.230 587 W CA 0.129 57.566 57.345 0.152 0.000 1.287 587 W CB 0.530 30.074 29.460 0.141 0.000 1.108 587 W HN -0.169 nan 8.180 nan 0.000 0.567 588 E N 0.644 120.991 120.200 0.245 0.000 2.149 588 E HA 0.275 4.625 4.350 -0.000 0.000 0.255 588 E C -0.701 175.852 176.600 -0.079 0.000 0.888 588 E CA -0.111 56.378 56.400 0.149 0.000 0.742 588 E CB 1.644 31.473 29.700 0.214 0.000 1.164 588 E HN -0.331 nan 8.360 nan 0.000 0.422 589 T N 1.658 116.183 114.554 -0.048 0.000 2.932 589 T HA 0.092 4.442 4.350 -0.000 0.000 0.318 589 T C -0.994 173.701 174.700 -0.007 0.000 1.265 589 T CA -0.725 61.319 62.100 -0.093 0.000 1.036 589 T CB 1.450 70.126 68.868 -0.319 0.000 1.209 589 T HN 0.490 nan 8.240 nan 0.000 0.484 590 E N 1.454 121.763 120.200 0.182 0.000 2.760 590 E HA 0.228 4.578 4.350 -0.000 0.000 0.268 590 E C 1.228 177.885 176.600 0.095 0.000 0.935 590 E CA 1.941 58.457 56.400 0.192 0.000 0.960 590 E CB -0.258 29.653 29.700 0.351 0.000 0.931 590 E HN 1.053 nan 8.360 nan 0.000 0.483 591 G N 2.980 111.851 108.800 0.118 0.000 2.436 591 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.204 591 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.204 591 G C -0.681 174.325 174.900 0.175 0.000 1.026 591 G CA 0.100 45.297 45.100 0.162 0.000 0.658 591 G HN 0.847 nan 8.290 nan 0.000 0.499 592 Y N -0.354 120.039 120.300 0.155 0.000 2.677 592 Y HA 0.742 5.292 4.550 0.000 0.000 0.334 592 Y C -1.288 174.708 175.900 0.159 0.000 1.196 592 Y CA -1.440 56.739 58.100 0.132 0.000 1.059 592 Y CB 0.465 38.992 38.460 0.112 0.000 1.315 592 Y HN 0.016 nan 8.280 nan 0.000 0.455 593 D N 1.184 121.826 120.400 0.403 0.000 2.332 593 D HA 0.357 4.997 4.640 -0.000 0.000 0.252 593 D C -0.436 176.107 176.300 0.405 0.000 1.050 593 D CA -0.668 53.542 54.000 0.350 0.000 0.970 593 D CB 1.323 42.311 40.800 0.314 0.000 1.141 593 D HN 0.502 nan 8.370 nan 0.000 0.485 594 R N 0.576 121.281 120.500 0.341 0.000 2.694 594 R HA 0.057 4.397 4.340 -0.000 0.000 0.268 594 R C 1.011 177.448 176.300 0.227 0.000 1.061 594 R CA 0.078 56.354 56.100 0.293 0.000 1.133 594 R CB 0.815 31.242 30.300 0.212 0.000 1.020 594 R HN 0.494 nan 8.270 nan 0.000 0.475 595 E N 0.674 120.984 120.200 0.183 0.000 2.340 595 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 595 E C -0.282 176.376 176.600 0.097 0.000 0.996 595 E CA 0.505 56.985 56.400 0.133 0.000 0.869 595 E CB 0.251 30.020 29.700 0.115 0.000 0.835 595 E HN 0.598 nan 8.360 nan 0.000 0.493 596 N N -1.897 116.846 118.700 0.071 0.000 3.106 596 N HA 0.159 4.899 4.740 -0.000 0.000 0.253 596 N C -0.423 175.077 175.510 -0.016 0.000 1.506 596 N CA -0.644 52.428 53.050 0.036 0.000 0.876 596 N CB 0.346 38.848 38.487 0.026 0.000 1.452 596 N HN -0.227 nan 8.380 nan 0.000 0.542 597 M N -0.154 119.412 119.600 -0.056 0.000 2.505 597 M HA 0.170 4.650 4.480 -0.000 0.000 0.230 597 M C -0.831 175.388 176.300 -0.134 0.000 1.153 597 M CA -0.019 55.208 55.300 -0.121 0.000 0.997 597 M CB -0.306 32.192 32.600 -0.169 0.000 1.606 597 M HN 0.414 nan 8.290 nan 0.000 0.481 598 D N 1.482 121.817 120.400 -0.108 0.000 2.345 598 D HA 0.218 4.858 4.640 -0.000 0.000 0.247 598 D C 0.032 176.244 176.300 -0.147 0.000 1.108 598 D CA -0.013 53.923 54.000 -0.107 0.000 0.894 598 D CB 1.247 41.997 40.800 -0.083 0.000 1.203 598 D HN 0.171 nan 8.370 nan 0.000 0.430 599 L N 2.682 123.859 121.223 -0.077 0.000 2.483 599 L HA 0.141 4.481 4.340 -0.000 0.000 0.276 599 L C -1.943 174.840 176.870 -0.145 0.000 1.213 599 L CA -1.301 53.502 54.840 -0.062 0.000 0.843 599 L CB -0.078 42.058 42.059 0.130 0.000 1.107 599 L HN 0.129 nan 8.230 nan 0.000 0.487 600 P HA 0.265 nan 4.420 nan 0.000 0.284 600 P C -0.605 176.648 177.300 -0.078 0.000 1.253 600 P CA -0.520 62.385 63.100 -0.326 0.000 0.800 600 P CB 1.098 32.505 31.700 -0.488 0.000 0.961 601 K N 0.661 121.039 120.400 -0.037 0.000 1.844 601 K HA -0.251 4.069 4.320 -0.000 0.000 0.160 601 K C 0.976 177.597 176.600 0.036 0.000 1.448 601 K CA 0.913 57.216 56.287 0.027 0.000 0.446 601 K CB -1.209 31.328 32.500 0.061 0.000 0.635 601 K HN 0.431 nan 8.250 nan 0.000 0.848 602 R N 1.407 121.934 120.500 0.045 0.000 2.320 602 R HA 0.061 4.401 4.340 -0.000 0.000 0.211 602 R C 1.724 178.049 176.300 0.042 0.000 0.931 602 R CA 0.765 56.886 56.100 0.036 0.000 1.071 602 R CB -0.197 30.113 30.300 0.016 0.000 1.025 602 R HN 0.505 nan 8.270 nan 0.000 0.495 603 T N 1.870 116.462 114.554 0.063 0.000 2.624 603 T HA -0.162 4.187 4.350 -0.000 0.000 0.268 603 T C 1.591 176.347 174.700 0.092 0.000 1.041 603 T CA 1.631 63.780 62.100 0.082 0.000 1.159 603 T CB -0.084 68.856 68.868 0.120 0.000 0.863 603 T HN 0.281 nan 8.240 nan 0.000 0.434 604 N N 0.521 119.319 118.700 0.163 0.000 2.142 604 N HA -0.056 4.684 4.740 -0.000 0.000 0.186 604 N C 1.949 177.524 175.510 0.109 0.000 1.023 604 N CA 0.883 54.091 53.050 0.263 0.000 0.852 604 N CB -0.359 38.323 38.487 0.324 0.000 0.998 604 N HN 0.545 nan 8.380 nan 0.000 0.424 605 E N 0.582 120.825 120.200 0.071 0.000 2.049 605 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 605 E C 1.965 178.546 176.600 -0.031 0.000 1.007 605 E CA 0.961 57.375 56.400 0.024 0.000 0.809 605 E CB -0.138 29.574 29.700 0.020 0.000 0.749 605 E HN 0.107 nan 8.360 nan 0.000 0.450 606 L N 0.660 121.857 121.223 -0.044 0.000 2.021 606 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 606 L C 2.281 179.056 176.870 -0.159 0.000 1.074 606 L CA 1.697 56.486 54.840 -0.086 0.000 0.760 606 L CB -0.711 41.305 42.059 -0.071 0.000 0.889 606 L HN 0.044 nan 8.230 nan 0.000 0.433 607 V N -0.076 119.690 119.914 -0.246 0.000 2.261 607 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 607 V C 2.723 178.576 176.094 -0.402 0.000 1.047 607 V CA 2.147 64.156 62.300 -0.486 0.000 1.015 607 V CB -0.742 30.455 31.823 -1.043 0.000 0.642 607 V HN 0.464 nan 8.190 nan 0.000 0.446 608 R N 0.107 120.443 120.500 -0.274 0.000 2.103 608 R HA -0.221 4.119 4.340 -0.000 0.000 0.242 608 R C 2.385 178.626 176.300 -0.098 0.000 1.142 608 R CA 1.697 57.725 56.100 -0.120 0.000 0.960 608 R CB -0.626 29.674 30.300 -0.001 0.000 0.858 608 R HN 0.568 nan 8.270 nan 0.000 0.439 609 A N 0.278 123.040 122.820 -0.096 0.000 1.930 609 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 609 A C 2.304 179.836 177.584 -0.087 0.000 1.175 609 A CA 1.149 53.141 52.037 -0.074 0.000 0.627 609 A CB -0.239 18.721 19.000 -0.065 0.000 0.815 609 A HN 0.127 nan 8.150 nan 0.000 0.443 610 V N 0.038 119.878 119.914 -0.124 0.000 2.453 610 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 610 V C 2.406 178.430 176.094 -0.118 0.000 1.048 610 V CA 1.518 63.745 62.300 -0.121 0.000 1.049 610 V CB -0.594 31.139 31.823 -0.151 0.000 0.672 610 V HN 0.546 nan 8.190 nan 0.000 0.457 611 L N -0.274 120.861 121.223 -0.147 0.000 2.291 611 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 611 L C 2.459 179.289 176.870 -0.066 0.000 1.120 611 L CA 1.303 56.073 54.840 -0.117 0.000 0.799 611 L CB -0.458 41.517 42.059 -0.139 0.000 0.925 611 L HN 0.310 nan 8.230 nan 0.000 0.446 612 K N 0.572 120.937 120.400 -0.058 0.000 2.044 612 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 612 K C 2.215 178.796 176.600 -0.032 0.000 1.049 612 K CA 1.092 57.358 56.287 -0.035 0.000 0.945 612 K CB -0.031 32.453 32.500 -0.028 0.000 0.724 612 K HN 0.200 nan 8.250 nan 0.000 0.440 613 A N 0.920 123.717 122.820 -0.037 0.000 1.972 613 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 613 A C 0.778 178.347 177.584 -0.024 0.000 1.169 613 A CA 1.340 53.360 52.037 -0.028 0.000 0.635 613 A CB -0.155 18.829 19.000 -0.028 0.000 0.810 613 A HN 0.399 nan 8.150 nan 0.000 0.446 614 N N -1.945 116.735 118.700 -0.034 0.000 2.629 614 N HA 0.283 5.023 4.740 -0.000 0.000 0.277 614 N C -2.880 172.606 175.510 -0.039 0.000 1.188 614 N CA -1.444 51.589 53.050 -0.028 0.000 0.835 614 N CB 1.466 39.942 38.487 -0.018 0.000 1.420 614 N HN -0.217 nan 8.380 nan 0.000 0.542 615 P HA 0.033 nan 4.420 nan 0.000 0.225 615 P C -0.238 177.041 177.300 -0.034 0.000 1.148 615 P CA 0.862 63.944 63.100 -0.031 0.000 0.779 615 P CB 0.187 31.876 31.700 -0.019 0.000 0.780 616 N N 0.107 118.788 118.700 -0.032 0.000 3.331 616 N HA 0.091 4.831 4.740 -0.000 0.000 0.303 616 N C -0.396 175.086 175.510 -0.046 0.000 1.326 616 N CA 0.514 53.543 53.050 -0.035 0.000 1.207 616 N CB 0.052 38.524 38.487 -0.026 0.000 1.477 616 N HN 0.028 nan 8.380 nan 0.000 0.541 617 T N 0.063 114.580 114.554 -0.062 0.000 2.829 617 T HA 0.228 4.577 4.350 -0.000 0.000 0.280 617 T C -0.261 174.385 174.700 -0.090 0.000 0.999 617 T CA -0.425 61.627 62.100 -0.081 0.000 0.983 617 T CB 2.735 71.540 68.868 -0.105 0.000 0.968 617 T HN -0.065 nan 8.240 nan 0.000 0.446 618 V N 5.362 125.221 119.914 -0.091 0.000 2.394 618 V HA 0.588 4.708 4.120 -0.000 0.000 0.282 618 V C -0.643 175.386 176.094 -0.109 0.000 1.031 618 V CA -0.709 61.533 62.300 -0.096 0.000 0.881 618 V CB 0.531 32.300 31.823 -0.090 0.000 0.982 618 V HN 0.788 nan 8.190 nan 0.000 0.451 619 I N 6.868 127.359 120.570 -0.131 0.000 2.336 619 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 619 I C -0.543 175.501 176.117 -0.123 0.000 0.991 619 I CA -0.563 60.650 61.300 -0.145 0.000 1.227 619 I CB 1.848 39.723 38.000 -0.207 0.000 1.366 619 I HN 0.298 nan 8.210 nan 0.000 0.466 620 V N 5.724 125.596 119.914 -0.071 0.000 2.378 620 V HA 0.305 4.425 4.120 -0.000 0.000 0.288 620 V C -0.308 175.784 176.094 -0.004 0.000 1.016 620 V CA -0.689 61.580 62.300 -0.052 0.000 0.840 620 V CB 1.623 33.439 31.823 -0.011 0.000 0.994 620 V HN 0.699 nan 8.190 nan 0.000 0.431 621 N N 3.898 122.585 118.700 -0.021 0.000 2.408 621 N HA 0.402 5.142 4.740 -0.000 0.000 0.280 621 N C -0.662 174.871 175.510 0.038 0.000 1.002 621 N CA -0.411 52.688 53.050 0.083 0.000 0.907 621 N CB 1.346 39.959 38.487 0.210 0.000 1.161 621 N HN 0.680 nan 8.380 nan 0.000 0.488 622 Q N 1.838 121.703 119.800 0.109 0.000 2.394 622 Q HA 0.452 4.792 4.340 -0.000 0.000 0.259 622 Q C -1.139 174.870 176.000 0.015 0.000 1.021 622 Q CA -0.676 55.169 55.803 0.070 0.000 0.805 622 Q CB 1.230 30.108 28.738 0.235 0.000 1.226 622 Q HN 0.712 nan 8.270 nan 0.000 0.476 623 S N -0.384 115.166 115.700 -0.249 0.000 2.565 623 S HA 0.567 5.037 4.470 -0.000 0.000 0.269 623 S C 0.301 174.744 174.600 -0.263 0.000 1.153 623 S CA -0.439 57.618 58.200 -0.238 0.000 0.835 623 S CB 1.171 64.413 63.200 0.070 0.000 1.122 623 S HN 0.539 nan 8.310 nan 0.000 0.462 624 G N 0.502 109.276 108.800 -0.044 0.000 2.744 624 G HA2 0.423 4.383 3.960 -0.000 0.000 0.211 624 G HA3 0.423 4.383 3.960 -0.000 0.000 0.211 624 G C 0.471 175.620 174.900 0.415 0.000 1.146 624 G CA 0.755 46.049 45.100 0.323 0.000 0.787 624 G HN 1.412 nan 8.290 nan 0.000 0.534 625 T N -3.036 111.648 114.554 0.217 0.000 2.816 625 T HA 0.566 4.916 4.350 -0.000 0.000 0.299 625 T C -3.470 170.999 174.700 -0.386 0.000 1.230 625 T CA -1.778 60.336 62.100 0.023 0.000 1.007 625 T CB 2.353 71.244 68.868 0.039 0.000 1.289 625 T HN -0.230 nan 8.240 nan 0.000 0.508 626 P HA 0.362 nan 4.420 nan 0.000 0.268 626 P C -0.519 176.218 177.300 -0.939 0.000 1.205 626 P CA -0.413 61.645 63.100 -1.737 0.000 0.771 626 P CB 0.480 31.255 31.700 -1.543 0.000 0.858 627 V N -0.506 118.919 119.914 -0.814 0.000 2.960 627 V HA 0.508 4.628 4.120 -0.000 0.000 0.315 627 V C -0.107 175.672 176.094 -0.524 0.000 1.087 627 V CA -1.212 60.812 62.300 -0.459 0.000 0.982 627 V CB 1.811 33.490 31.823 -0.239 0.000 1.039 627 V HN 0.419 nan 8.190 nan 0.000 0.437 628 E N 1.322 121.303 120.200 -0.365 0.000 2.344 628 E HA 0.315 4.665 4.350 -0.000 0.000 0.270 628 E C -1.534 174.826 176.600 -0.400 0.000 1.021 628 E CA -0.459 55.760 56.400 -0.302 0.000 0.887 628 E CB 0.613 30.211 29.700 -0.169 0.000 0.997 628 E HN 0.599 nan 8.360 nan 0.000 0.429 629 F N 6.921 126.715 119.950 -0.259 0.000 2.300 629 F HA 0.281 4.808 4.527 -0.000 0.000 0.364 629 F C -1.695 173.539 175.800 -0.942 0.000 1.090 629 F CA -2.627 54.826 58.000 -0.912 0.000 1.200 629 F CB 1.141 39.593 39.000 -0.913 0.000 1.493 629 F HN 0.457 nan 8.300 nan 0.000 0.518 630 P HA -0.140 nan 4.420 nan 0.000 0.220 630 P C 1.068 178.264 177.300 -0.172 0.000 1.148 630 P CA 1.323 64.244 63.100 -0.298 0.000 0.803 630 P CB 0.007 31.633 31.700 -0.123 0.000 0.782 631 W N -1.371 120.002 121.300 0.122 0.000 3.305 631 W HA 0.377 5.037 4.660 -0.000 0.000 0.392 631 W C 0.771 177.330 176.519 0.066 0.000 1.121 631 W CA -0.695 56.693 57.345 0.072 0.000 1.909 631 W CB -0.988 28.503 29.460 0.052 0.000 1.065 631 W HN -0.142 nan 8.180 nan 0.000 0.714 632 L N 2.193 123.475 121.223 0.099 0.000 2.043 632 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 632 L C 2.468 179.446 176.870 0.181 0.000 1.075 632 L CA 2.266 57.184 54.840 0.130 0.000 0.752 632 L CB -0.722 41.359 42.059 0.036 0.000 0.891 632 L HN -0.075 nan 8.230 nan 0.000 0.432 633 E N -0.426 119.853 120.200 0.132 0.000 2.118 633 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 633 E C 1.567 178.228 176.600 0.102 0.000 0.992 633 E CA 1.562 58.017 56.400 0.090 0.000 0.804 633 E CB -0.086 29.648 29.700 0.056 0.000 0.741 633 E HN 0.574 nan 8.360 nan 0.000 0.458 634 D N -0.756 119.730 120.400 0.144 0.000 2.350 634 D HA 0.089 4.729 4.640 -0.000 0.000 0.213 634 D C -0.323 176.033 176.300 0.094 0.000 1.031 634 D CA 0.384 54.448 54.000 0.107 0.000 0.861 634 D CB 0.275 41.138 40.800 0.104 0.000 0.926 634 D HN 0.114 nan 8.370 nan 0.000 0.520 635 A N 0.861 123.775 122.820 0.156 0.000 2.316 635 A HA 0.247 4.567 4.320 -0.000 0.000 0.311 635 A C 0.750 178.369 177.584 0.059 0.000 1.339 635 A CA -0.460 51.637 52.037 0.100 0.000 0.960 635 A CB -0.190 18.948 19.000 0.229 0.000 1.152 635 A HN 0.011 nan 8.150 nan 0.000 0.547 636 N N 1.419 120.127 118.700 0.013 0.000 2.446 636 N HA 0.230 4.970 4.740 -0.000 0.000 0.179 636 N C 0.289 175.795 175.510 -0.008 0.000 1.054 636 N CA 0.926 53.981 53.050 0.008 0.000 0.905 636 N CB 0.290 38.775 38.487 -0.004 0.000 0.973 636 N HN 0.700 nan 8.380 nan 0.000 0.448 637 A N 0.807 123.606 122.820 -0.034 0.000 2.402 637 A HA 0.624 4.944 4.320 -0.000 0.000 0.291 637 A C -1.774 175.753 177.584 -0.096 0.000 1.051 637 A CA -0.471 51.532 52.037 -0.056 0.000 0.716 637 A CB 1.073 20.036 19.000 -0.061 0.000 1.223 637 A HN 0.096 nan 8.150 nan 0.000 0.425 638 L N 3.092 124.237 121.223 -0.130 0.000 2.439 638 L HA 0.766 5.106 4.340 -0.000 0.000 0.270 638 L C -1.646 175.062 176.870 -0.269 0.000 0.972 638 L CA -0.329 54.379 54.840 -0.221 0.000 0.836 638 L CB 2.135 44.027 42.059 -0.277 0.000 1.255 638 L HN 0.450 nan 8.230 nan 0.000 0.404 639 V N 4.190 123.950 119.914 -0.256 0.000 2.487 639 V HA 0.484 4.604 4.120 -0.000 0.000 0.298 639 V C -0.520 175.396 176.094 -0.297 0.000 1.028 639 V CA -0.554 61.596 62.300 -0.250 0.000 0.860 639 V CB 1.718 33.448 31.823 -0.155 0.000 0.991 639 V HN 0.807 nan 8.190 nan 0.000 0.427 640 Q N 3.750 123.310 119.800 -0.400 0.000 2.377 640 Q HA 0.592 4.932 4.340 -0.000 0.000 0.249 640 Q C 0.412 176.089 176.000 -0.537 0.000 1.005 640 Q CA 0.332 55.810 55.803 -0.542 0.000 0.912 640 Q CB 1.480 29.723 28.738 -0.825 0.000 1.223 640 Q HN 0.856 nan 8.270 nan 0.000 0.459 641 A N 4.091 126.700 122.820 -0.353 0.000 2.220 641 A HA 0.290 4.610 4.320 -0.000 0.000 0.211 641 A C -0.243 177.377 177.584 0.061 0.000 1.176 641 A CA -0.027 51.947 52.037 -0.105 0.000 0.834 641 A CB -0.495 18.510 19.000 0.009 0.000 0.868 641 A HN 0.952 nan 8.150 nan 0.000 0.488 642 W N -2.489 118.809 121.300 -0.003 0.000 2.612 642 W HA -0.311 4.349 4.660 0.000 0.000 0.192 642 W C -0.447 175.991 176.519 -0.135 0.000 0.646 642 W CA 0.790 58.073 57.345 -0.104 0.000 0.687 642 W CB -1.212 28.256 29.460 0.013 0.000 1.270 642 W HN 0.268 nan 8.180 nan 0.000 0.372 643 Y N 1.409 121.970 120.300 0.435 0.000 2.587 643 Y HA 0.515 5.065 4.550 0.000 0.000 0.328 643 Y C 0.981 177.014 175.900 0.222 0.000 0.980 643 Y CA -0.896 57.358 58.100 0.257 0.000 1.272 643 Y CB 0.723 39.295 38.460 0.187 0.000 1.094 643 Y HN 0.483 nan 8.280 nan 0.000 0.503 644 G N 1.132 110.126 108.800 0.323 0.000 3.181 644 G HA2 0.396 4.356 3.960 -0.000 0.000 0.219 644 G HA3 0.396 4.356 3.960 -0.000 0.000 0.219 644 G C 0.953 175.944 174.900 0.151 0.000 1.182 644 G CA 0.340 45.576 45.100 0.227 0.000 0.791 644 G HN 1.065 nan 8.290 nan 0.000 0.537 645 G N 0.734 109.617 108.800 0.139 0.000 2.562 645 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.250 645 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.250 645 G C 0.902 175.794 174.900 -0.013 0.000 1.269 645 G CA 0.190 45.319 45.100 0.049 0.000 0.919 645 G HN 0.234 nan 8.290 nan 0.000 0.574 646 N N 0.925 119.555 118.700 -0.117 0.000 2.120 646 N HA -0.027 4.713 4.740 -0.000 0.000 0.188 646 N C 1.687 177.179 175.510 -0.031 0.000 1.024 646 N CA 1.644 54.557 53.050 -0.228 0.000 0.852 646 N CB -0.097 38.095 38.487 -0.492 0.000 1.003 646 N HN 0.545 nan 8.380 nan 0.000 0.424 647 E N 0.703 120.927 120.200 0.040 0.000 2.394 647 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 647 E C 1.578 178.246 176.600 0.114 0.000 1.044 647 E CA -0.193 56.284 56.400 0.130 0.000 0.939 647 E CB -0.065 29.694 29.700 0.099 0.000 1.089 647 E HN 0.380 nan 8.360 nan 0.000 0.456 648 L N -1.891 119.399 121.223 0.112 0.000 2.012 648 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 648 L C 2.037 178.982 176.870 0.126 0.000 1.073 648 L CA 2.406 57.323 54.840 0.128 0.000 0.748 648 L CB -1.385 40.765 42.059 0.151 0.000 0.891 648 L HN 0.035 nan 8.230 nan 0.000 0.431 649 G N -0.027 108.848 108.800 0.126 0.000 2.421 649 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 649 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 649 G C 1.426 176.384 174.900 0.097 0.000 1.171 649 G CA 0.945 46.113 45.100 0.114 0.000 0.775 649 G HN 0.515 nan 8.290 nan 0.000 0.543 650 N N 1.355 120.110 118.700 0.092 0.000 2.166 650 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 650 N C 2.466 178.025 175.510 0.083 0.000 1.019 650 N CA 1.261 54.356 53.050 0.074 0.000 0.856 650 N CB -0.483 38.043 38.487 0.065 0.000 0.993 650 N HN 0.329 nan 8.380 nan 0.000 0.426 651 A N 1.490 124.364 122.820 0.090 0.000 1.902 651 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 651 A C 2.330 179.969 177.584 0.092 0.000 1.181 651 A CA 0.752 52.842 52.037 0.089 0.000 0.623 651 A CB -0.524 18.533 19.000 0.095 0.000 0.818 651 A HN 0.168 nan 8.150 nan 0.000 0.443 652 I N -0.323 120.306 120.570 0.098 0.000 2.142 652 I HA -0.296 3.874 4.170 -0.000 0.000 0.240 652 I C 3.056 179.241 176.117 0.114 0.000 1.078 652 I CA 1.190 62.546 61.300 0.092 0.000 1.343 652 I CB -0.643 37.414 38.000 0.095 0.000 1.046 652 I HN 0.383 nan 8.210 nan 0.000 0.405 653 A N 0.789 123.690 122.820 0.134 0.000 1.873 653 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 653 A C 1.949 179.676 177.584 0.238 0.000 1.193 653 A CA 2.356 54.517 52.037 0.206 0.000 0.629 653 A CB -0.820 18.255 19.000 0.125 0.000 0.826 653 A HN 0.376 nan 8.150 nan 0.000 0.447 654 D N -0.590 119.901 120.400 0.151 0.000 2.149 654 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 654 D C 1.963 178.358 176.300 0.159 0.000 1.001 654 D CA 1.639 55.726 54.000 0.144 0.000 0.849 654 D CB -0.368 40.491 40.800 0.099 0.000 0.939 654 D HN 0.231 nan 8.370 nan 0.000 0.449 655 V N 0.370 120.354 119.914 0.117 0.000 2.446 655 V HA -0.094 4.026 4.120 -0.000 0.000 0.244 655 V C 2.570 178.731 176.094 0.113 0.000 1.039 655 V CA 0.615 62.956 62.300 0.068 0.000 1.045 655 V CB -0.203 31.619 31.823 -0.001 0.000 0.681 655 V HN 0.193 nan 8.190 nan 0.000 0.459 656 L N -1.173 120.107 121.223 0.095 0.000 2.079 656 L HA -0.221 4.118 4.340 -0.000 0.000 0.210 656 L C 2.100 178.879 176.870 -0.152 0.000 1.081 656 L CA 1.942 56.774 54.840 -0.013 0.000 0.752 656 L CB -0.395 41.636 42.059 -0.046 0.000 0.896 656 L HN 0.393 nan 8.230 nan 0.000 0.433 657 Y N -1.056 119.296 120.300 0.087 0.000 2.458 657 Y HA 0.239 4.789 4.550 -0.000 0.000 0.256 657 Y C 1.686 177.660 175.900 0.124 0.000 1.159 657 Y CA 0.404 58.549 58.100 0.076 0.000 1.261 657 Y CB 0.589 39.083 38.460 0.055 0.000 1.119 657 Y HN 0.214 nan 8.280 nan 0.000 0.524 658 G N 0.026 109.004 108.800 0.297 0.000 2.143 658 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.249 658 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.249 658 G C 0.788 175.872 174.900 0.307 0.000 0.981 658 G CA 0.616 45.926 45.100 0.349 0.000 0.665 658 G HN 0.360 nan 8.290 nan 0.000 0.528 659 D N -0.522 120.023 120.400 0.242 0.000 2.219 659 D HA 0.074 4.714 4.640 -0.000 0.000 0.205 659 D C 1.184 177.579 176.300 0.158 0.000 0.970 659 D CA 1.247 55.357 54.000 0.184 0.000 0.851 659 D CB 0.353 41.235 40.800 0.137 0.000 0.943 659 D HN 0.375 nan 8.370 nan 0.000 0.488 660 V N 1.578 121.578 119.914 0.143 0.000 2.487 660 V HA 0.192 4.312 4.120 -0.000 0.000 0.298 660 V C 0.095 176.222 176.094 0.055 0.000 1.028 660 V CA -0.814 61.546 62.300 0.101 0.000 0.860 660 V CB 2.498 34.363 31.823 0.070 0.000 0.991 660 V HN -0.266 nan 8.190 nan 0.000 0.427 661 V N 7.490 127.425 119.914 0.035 0.000 2.432 661 V HA 0.236 4.356 4.120 -0.000 0.000 0.271 661 V C -2.084 173.875 176.094 -0.224 0.000 1.046 661 V CA -1.783 60.433 62.300 -0.139 0.000 0.945 661 V CB 1.130 32.963 31.823 0.016 0.000 0.992 661 V HN 0.756 nan 8.190 nan 0.000 0.471 662 P HA -0.021 nan 4.420 nan 0.000 0.257 662 P C 0.057 177.233 177.300 -0.206 0.000 1.162 662 P CA 0.685 63.584 63.100 -0.335 0.000 0.762 662 P CB 0.093 31.488 31.700 -0.509 0.000 0.753 663 N N 0.932 119.562 118.700 -0.116 0.000 2.116 663 N HA 0.143 4.883 4.740 -0.000 0.000 0.230 663 N C 0.560 176.029 175.510 -0.068 0.000 1.326 663 N CA -0.587 52.411 53.050 -0.087 0.000 0.867 663 N CB 0.231 38.702 38.487 -0.026 0.000 1.174 663 N HN 0.342 nan 8.380 nan 0.000 0.506 664 G N 0.765 109.541 108.800 -0.040 0.000 2.483 664 G HA2 0.383 4.343 3.960 -0.000 0.000 0.248 664 G HA3 0.383 4.343 3.960 -0.000 0.000 0.248 664 G C -0.464 174.413 174.900 -0.038 0.000 1.248 664 G CA -0.210 44.909 45.100 0.032 0.000 0.838 664 G HN 0.041 nan 8.290 nan 0.000 0.566 665 K N 1.744 122.150 120.400 0.010 0.000 2.378 665 K HA 0.305 4.625 4.320 -0.000 0.000 0.252 665 K C -0.052 176.633 176.600 0.142 0.000 0.931 665 K CA -0.840 55.391 56.287 -0.093 0.000 0.794 665 K CB 2.581 34.767 32.500 -0.524 0.000 1.181 665 K HN 0.365 nan 8.250 nan 0.000 0.425 666 L N 2.217 123.520 121.223 0.133 0.000 2.578 666 L HA -0.097 4.243 4.340 -0.000 0.000 0.279 666 L C 1.427 178.426 176.870 0.216 0.000 1.227 666 L CA 0.357 55.380 54.840 0.305 0.000 0.900 666 L CB 0.236 42.476 42.059 0.301 0.000 1.144 666 L HN 0.804 nan 8.230 nan 0.000 0.496 667 S N 3.614 119.506 115.700 0.319 0.000 2.548 667 S HA 0.290 4.760 4.470 -0.000 0.000 0.215 667 S C 0.271 175.163 174.600 0.487 0.000 0.976 667 S CA -0.295 58.054 58.200 0.249 0.000 0.908 667 S CB 0.123 63.350 63.200 0.047 0.000 0.781 667 S HN 0.468 nan 8.310 nan 0.000 0.519 668 L N 1.083 122.617 121.223 0.519 0.000 2.409 668 L HA 0.499 4.839 4.340 -0.000 0.000 0.262 668 L C -0.440 176.741 176.870 0.518 0.000 0.992 668 L CA -0.787 54.353 54.840 0.499 0.000 0.817 668 L CB 2.274 44.560 42.059 0.379 0.000 1.350 668 L HN -0.025 nan 8.230 nan 0.000 0.411 669 S N 0.611 116.588 115.700 0.461 0.000 2.572 669 S HA 0.155 4.625 4.470 -0.000 0.000 0.279 669 S C -0.854 173.887 174.600 0.235 0.000 1.341 669 S CA -0.237 58.169 58.200 0.343 0.000 1.043 669 S CB 0.594 63.978 63.200 0.306 0.000 0.887 669 S HN 0.460 nan 8.310 nan 0.000 0.516 670 W N 5.895 127.178 121.300 -0.029 0.000 2.406 670 W HA 0.284 4.944 4.660 -0.000 0.000 0.308 670 W C -2.854 173.486 176.519 -0.299 0.000 0.965 670 W CA -2.519 54.774 57.345 -0.087 0.000 1.589 670 W CB 0.794 30.288 29.460 0.057 0.000 1.417 670 W HN 0.482 nan 8.180 nan 0.000 0.415 671 P HA -0.008 nan 4.420 nan 0.000 0.272 671 P C 0.791 177.984 177.300 -0.177 0.000 1.230 671 P CA 0.168 63.120 63.100 -0.248 0.000 0.788 671 P CB 0.913 32.568 31.700 -0.075 0.000 0.949 672 F N 0.341 120.239 119.950 -0.087 0.000 2.234 672 F HA -0.017 4.510 4.527 0.000 0.000 0.299 672 F C 1.515 177.253 175.800 -0.103 0.000 1.087 672 F CA 1.742 59.691 58.000 -0.086 0.000 1.340 672 F CB -0.130 38.807 39.000 -0.105 0.000 1.031 672 F HN 0.238 nan 8.300 nan 0.000 0.500 673 K N -1.017 119.431 120.400 0.080 0.000 2.523 673 K HA 0.250 4.570 4.320 -0.000 0.000 0.257 673 K C 0.097 176.648 176.600 -0.082 0.000 0.932 673 K CA -0.672 55.604 56.287 -0.017 0.000 0.812 673 K CB 2.419 34.904 32.500 -0.025 0.000 1.326 673 K HN -0.200 nan 8.250 nan 0.000 0.433 674 L N 2.593 123.747 121.223 -0.116 0.000 2.043 674 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 674 L C 1.538 178.235 176.870 -0.288 0.000 1.075 674 L CA 2.073 56.841 54.840 -0.119 0.000 0.752 674 L CB -0.161 41.882 42.059 -0.027 0.000 0.891 674 L HN 0.707 nan 8.230 nan 0.000 0.432 675 Q N -0.561 118.899 119.800 -0.567 0.000 2.439 675 Q HA -0.157 4.183 4.340 -0.000 0.000 0.211 675 Q C 1.356 177.080 176.000 -0.461 0.000 0.978 675 Q CA 1.277 56.442 55.803 -1.063 0.000 0.897 675 Q CB -0.178 28.064 28.738 -0.826 0.000 0.956 675 Q HN 0.551 nan 8.270 nan 0.000 0.483 676 D N 0.101 120.411 120.400 -0.149 0.000 2.347 676 D HA -0.041 4.599 4.640 -0.000 0.000 0.213 676 D C 0.080 176.519 176.300 0.232 0.000 0.985 676 D CA 0.293 54.350 54.000 0.095 0.000 0.879 676 D CB -0.247 40.675 40.800 0.202 0.000 0.919 676 D HN 0.403 nan 8.370 nan 0.000 0.526 677 N N 0.729 119.485 118.700 0.094 0.000 2.513 677 N HA 0.093 4.832 4.740 -0.000 0.000 0.274 677 N C -1.870 173.530 175.510 -0.184 0.000 1.189 677 N CA -1.134 51.949 53.050 0.055 0.000 0.975 677 N CB 1.566 40.067 38.487 0.023 0.000 1.157 677 N HN -0.295 nan 8.380 nan 0.000 0.465 678 P HA -0.074 nan 4.420 nan 0.000 0.220 678 P C 0.269 177.347 177.300 -0.370 0.000 1.148 678 P CA 1.191 63.669 63.100 -1.037 0.000 0.803 678 P CB -0.024 30.862 31.700 -1.357 0.000 0.782 679 A N -1.746 120.950 122.820 -0.206 0.000 2.462 679 A HA 0.154 4.474 4.320 -0.000 0.000 0.261 679 A C 1.418 179.029 177.584 0.045 0.000 1.323 679 A CA -0.567 51.436 52.037 -0.057 0.000 0.913 679 A CB -1.490 17.504 19.000 -0.010 0.000 1.028 679 A HN -0.026 nan 8.150 nan 0.000 0.511 680 F N 0.793 120.683 119.950 -0.100 0.000 2.087 680 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 680 F C 1.480 177.286 175.800 0.010 0.000 1.100 680 F CA 2.079 60.052 58.000 -0.045 0.000 1.226 680 F CB -0.119 38.866 39.000 -0.025 0.000 0.983 680 F HN 0.254 nan 8.300 nan 0.000 0.479 681 L N -0.011 121.139 121.223 -0.121 0.000 2.558 681 L HA 0.032 4.372 4.340 -0.000 0.000 0.225 681 L C -0.285 176.527 176.870 -0.097 0.000 1.128 681 L CA 0.453 55.158 54.840 -0.225 0.000 0.868 681 L CB -0.630 41.377 42.059 -0.088 0.000 1.006 681 L HN 0.280 nan 8.230 nan 0.000 0.454 682 N N -1.220 117.474 118.700 -0.010 0.000 2.703 682 N HA 0.119 4.859 4.740 -0.000 0.000 0.283 682 N C -0.734 174.831 175.510 0.092 0.000 1.851 682 N CA -0.327 52.735 53.050 0.019 0.000 0.826 682 N CB -0.058 38.443 38.487 0.024 0.000 1.239 682 N HN -0.054 nan 8.380 nan 0.000 0.495 683 F N 0.589 120.480 119.950 -0.098 0.000 2.679 683 F HA 0.505 5.032 4.527 -0.000 0.000 0.354 683 F C -0.419 175.348 175.800 -0.055 0.000 1.423 683 F CA -0.409 57.545 58.000 -0.077 0.000 1.141 683 F CB 0.427 39.393 39.000 -0.057 0.000 1.168 683 F HN 0.041 nan 8.300 nan 0.000 0.530 684 K N -0.064 120.267 120.400 -0.114 0.000 2.562 684 K HA 0.390 4.710 4.320 -0.000 0.000 0.267 684 K C -0.829 175.690 176.600 -0.134 0.000 0.938 684 K CA -0.602 55.618 56.287 -0.112 0.000 0.840 684 K CB 1.966 34.421 32.500 -0.074 0.000 1.390 684 K HN -0.065 nan 8.250 nan 0.000 0.428 685 T N 3.013 117.491 114.554 -0.128 0.000 2.737 685 T HA 0.208 4.558 4.350 -0.000 0.000 0.296 685 T C -0.981 173.624 174.700 -0.159 0.000 0.922 685 T CA -0.170 61.861 62.100 -0.116 0.000 1.079 685 T CB 0.229 69.046 68.868 -0.085 0.000 0.892 685 T HN 0.359 nan 8.240 nan 0.000 0.514 686 E N 2.385 122.473 120.200 -0.187 0.000 2.234 686 E HA 0.372 4.722 4.350 -0.000 0.000 0.266 686 E C -0.569 175.821 176.600 -0.350 0.000 0.877 686 E CA -1.079 55.067 56.400 -0.422 0.000 0.758 686 E CB 1.271 30.698 29.700 -0.456 0.000 1.170 686 E HN 0.533 nan 8.360 nan 0.000 0.415 687 F N 1.796 121.733 119.950 -0.022 0.000 3.090 687 F HA -0.235 4.292 4.527 -0.000 0.000 0.282 687 F C 1.275 177.055 175.800 -0.033 0.000 0.923 687 F CA 1.107 59.093 58.000 -0.024 0.000 0.977 687 F CB -2.237 36.748 39.000 -0.024 0.000 0.954 687 F HN 0.975 nan 8.300 nan 0.000 0.695 688 G N -0.532 108.281 108.800 0.022 0.000 2.166 688 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 688 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 688 G C 0.207 175.094 174.900 -0.021 0.000 0.986 688 G CA 0.719 45.816 45.100 -0.004 0.000 0.683 688 G HN 0.970 nan 8.290 nan 0.000 0.527 689 R N -1.846 118.649 120.500 -0.008 0.000 2.855 689 R HA 0.857 5.197 4.340 -0.000 0.000 0.266 689 R C -1.096 175.194 176.300 -0.017 0.000 1.034 689 R CA -1.207 54.884 56.100 -0.016 0.000 0.944 689 R CB 1.462 31.766 30.300 0.006 0.000 1.219 689 R HN 0.485 nan 8.270 nan 0.000 0.474 690 V N 1.992 121.907 119.914 0.001 0.000 2.532 690 V HA 0.417 4.536 4.120 -0.000 0.000 0.294 690 V C -0.643 175.524 176.094 0.123 0.000 1.036 690 V CA -0.616 61.705 62.300 0.035 0.000 0.876 690 V CB 1.614 33.457 31.823 0.033 0.000 1.012 690 V HN 0.664 nan 8.190 nan 0.000 0.432 691 I N 5.061 125.697 120.570 0.110 0.000 2.312 691 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 691 I C -0.371 175.886 176.117 0.233 0.000 1.031 691 I CA -0.576 60.807 61.300 0.138 0.000 1.293 691 I CB 0.892 38.940 38.000 0.078 0.000 1.403 691 I HN 0.551 nan 8.210 nan 0.000 0.484 692 Y N 6.101 126.383 120.300 -0.030 0.000 2.758 692 Y HA 0.070 4.619 4.550 -0.000 0.000 0.351 692 Y C 1.712 177.637 175.900 0.041 0.000 1.214 692 Y CA -0.742 57.361 58.100 0.005 0.000 1.983 692 Y CB -0.865 37.583 38.460 -0.020 0.000 2.062 692 Y HN 0.696 nan 8.280 nan 0.000 0.416 693 G N 1.244 110.134 108.800 0.151 0.000 2.442 693 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 693 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 693 G C 1.569 176.555 174.900 0.143 0.000 1.141 693 G CA 0.786 45.960 45.100 0.123 0.000 0.763 693 G HN 0.564 nan 8.290 nan 0.000 0.554 694 E N 1.044 121.317 120.200 0.122 0.000 2.401 694 E HA -0.061 4.289 4.350 -0.000 0.000 0.199 694 E C 0.974 177.731 176.600 0.261 0.000 1.023 694 E CA 1.230 57.733 56.400 0.171 0.000 0.859 694 E CB -0.313 29.394 29.700 0.012 0.000 0.780 694 E HN 0.371 nan 8.360 nan 0.000 0.523 695 D N 0.900 121.428 120.400 0.213 0.000 3.608 695 D HA -0.322 4.318 4.640 -0.000 0.000 0.152 695 D C 1.248 177.596 176.300 0.080 0.000 0.971 695 D CA 3.056 57.157 54.000 0.169 0.000 1.072 695 D CB -1.371 39.522 40.800 0.154 0.000 0.507 695 D HN 0.343 nan 8.370 nan 0.000 0.520 696 I N -1.757 118.726 120.570 -0.145 0.000 3.291 696 I HA 0.110 4.279 4.170 -0.000 0.000 0.279 696 I C 0.575 176.450 176.117 -0.403 0.000 1.294 696 I CA 0.471 61.586 61.300 -0.308 0.000 1.428 696 I CB -0.481 37.262 38.000 -0.428 0.000 1.070 696 I HN 0.060 nan 8.210 nan 0.000 0.478 697 F N 2.698 122.683 119.950 0.060 0.000 2.626 697 F HA 0.382 4.910 4.527 0.000 0.000 0.353 697 F C 0.154 175.962 175.800 0.013 0.000 1.230 697 F CA -0.345 57.693 58.000 0.063 0.000 1.298 697 F CB -0.221 38.877 39.000 0.163 0.000 1.670 697 F HN -0.190 nan 8.300 nan 0.000 0.633 698 V N 1.261 121.184 119.914 0.015 0.000 2.532 698 V HA 0.787 4.907 4.120 -0.000 0.000 0.295 698 V C 0.830 176.890 176.094 -0.057 0.000 1.041 698 V CA -0.178 62.100 62.300 -0.038 0.000 0.926 698 V CB 0.995 32.776 31.823 -0.071 0.000 0.992 698 V HN 0.861 nan 8.190 nan 0.000 0.457 699 G N 4.063 112.869 108.800 0.010 0.000 2.566 699 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.280 699 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.280 699 G C 0.568 175.647 174.900 0.299 0.000 1.225 699 G CA 1.206 46.408 45.100 0.170 0.000 0.966 699 G HN 1.483 nan 8.290 nan 0.000 0.560 700 Y N 0.810 121.308 120.300 0.331 0.000 2.384 700 Y HA -0.015 4.535 4.550 -0.000 0.000 0.289 700 Y C 2.823 178.884 175.900 0.269 0.000 1.152 700 Y CA 1.837 60.155 58.100 0.363 0.000 1.258 700 Y CB -0.544 38.077 38.460 0.269 0.000 0.979 700 Y HN 0.465 nan 8.280 nan 0.000 0.549 701 R N -0.763 119.512 120.500 -0.376 0.000 2.120 701 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 701 R C 1.887 178.319 176.300 0.221 0.000 1.123 701 R CA 1.790 57.835 56.100 -0.090 0.000 0.975 701 R CB -0.669 29.538 30.300 -0.155 0.000 0.866 701 R HN 0.543 nan 8.270 nan 0.000 0.446 702 Y N -0.093 120.211 120.300 0.007 0.000 2.176 702 Y HA -0.169 4.381 4.550 0.000 0.000 0.291 702 Y C 1.637 177.466 175.900 -0.118 0.000 1.122 702 Y CA 1.184 59.231 58.100 -0.090 0.000 1.128 702 Y CB -0.239 38.038 38.460 -0.306 0.000 1.005 702 Y HN -0.078 nan 8.280 nan 0.000 0.509 703 Y N 0.752 121.151 120.300 0.165 0.000 2.224 703 Y HA -0.167 4.383 4.550 -0.000 0.000 0.289 703 Y C 2.377 178.272 175.900 -0.007 0.000 1.146 703 Y CA 1.840 59.967 58.100 0.045 0.000 1.182 703 Y CB -0.506 38.048 38.460 0.156 0.000 0.983 703 Y HN 0.230 nan 8.280 nan 0.000 0.524 704 E N -0.217 120.110 120.200 0.211 0.000 2.107 704 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 704 E C 2.002 178.618 176.600 0.026 0.000 0.982 704 E CA 0.806 57.287 56.400 0.136 0.000 0.809 704 E CB -0.036 29.783 29.700 0.198 0.000 0.756 704 E HN 0.148 nan 8.360 nan 0.000 0.459 705 K N 0.660 121.042 120.400 -0.031 0.000 2.097 705 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 705 K C 1.434 177.906 176.600 -0.213 0.000 1.049 705 K CA 0.891 57.093 56.287 -0.142 0.000 0.933 705 K CB 0.034 32.365 32.500 -0.282 0.000 0.717 705 K HN -0.010 nan 8.250 nan 0.000 0.442 706 L N 1.438 122.492 121.223 -0.282 0.000 2.592 706 L HA 0.149 4.489 4.340 -0.000 0.000 0.227 706 L C -0.176 176.617 176.870 -0.129 0.000 1.127 706 L CA 0.710 55.392 54.840 -0.263 0.000 0.884 706 L CB -0.525 41.284 42.059 -0.416 0.000 1.065 706 L HN 0.238 nan 8.230 nan 0.000 0.457 707 Q N 0.101 119.859 119.800 -0.069 0.000 2.435 707 Q HA -0.280 4.059 4.340 -0.000 0.000 0.312 707 Q C 0.415 176.421 176.000 0.010 0.000 1.333 707 Q CA 0.594 56.389 55.803 -0.013 0.000 0.883 707 Q CB -1.486 27.239 28.738 -0.021 0.000 1.170 707 Q HN 0.446 nan 8.270 nan 0.000 0.443 708 R N 1.474 122.002 120.500 0.047 0.000 2.254 708 R HA 0.261 4.601 4.340 -0.000 0.000 0.318 708 R C -0.374 176.015 176.300 0.149 0.000 1.031 708 R CA -0.461 55.708 56.100 0.115 0.000 0.905 708 R CB 0.763 31.175 30.300 0.186 0.000 1.050 708 R HN 0.039 nan 8.270 nan 0.000 0.456 709 K N 3.117 123.592 120.400 0.126 0.000 2.270 709 K HA 0.207 4.527 4.320 -0.000 0.000 0.276 709 K C -0.176 176.489 176.600 0.108 0.000 1.023 709 K CA -0.526 55.836 56.287 0.124 0.000 0.955 709 K CB 1.405 34.013 32.500 0.180 0.000 0.975 709 K HN 0.426 nan 8.250 nan 0.000 0.471 710 V N -1.477 118.321 119.914 -0.194 0.000 2.960 710 V HA 0.499 4.619 4.120 -0.000 0.000 0.315 710 V C 0.961 176.380 176.094 -1.125 0.000 1.087 710 V CA -0.610 61.328 62.300 -0.603 0.000 0.982 710 V CB 1.416 32.901 31.823 -0.564 0.000 1.039 710 V HN 0.848 nan 8.190 nan 0.000 0.437 711 A N 1.753 123.600 122.820 -1.622 0.000 1.892 711 A HA 0.149 4.469 4.320 -0.000 0.000 0.218 711 A C 0.627 177.330 177.584 -1.469 0.000 1.188 711 A CA 1.869 52.922 52.037 -1.640 0.000 0.631 711 A CB -0.674 17.735 19.000 -0.984 0.000 0.822 711 A HN 0.988 nan 8.150 nan 0.000 0.447 712 F N -1.222 118.485 119.950 -0.405 0.000 2.605 712 F HA 0.455 4.982 4.527 0.000 0.000 0.320 712 F C -2.746 172.961 175.800 -0.154 0.000 1.159 712 F CA -2.441 55.342 58.000 -0.361 0.000 0.999 712 F CB 2.031 40.844 39.000 -0.311 0.000 1.258 712 F HN -0.101 nan 8.300 nan 0.000 0.464 713 P HA 0.211 nan 4.420 nan 0.000 0.281 713 P C -0.454 177.003 177.300 0.261 0.000 1.264 713 P CA -0.446 62.723 63.100 0.116 0.000 0.824 713 P CB 1.095 32.831 31.700 0.060 0.000 1.092 714 F N 1.450 121.513 119.950 0.188 0.000 2.604 714 F HA 0.228 4.755 4.527 -0.000 0.000 0.393 714 F C 1.478 177.362 175.800 0.140 0.000 1.043 714 F CA 2.261 60.386 58.000 0.207 0.000 1.227 714 F CB -0.551 38.556 39.000 0.179 0.000 1.016 714 F HN 0.747 nan 8.300 nan 0.000 0.556 715 G N 3.805 112.288 108.800 -0.528 0.000 2.175 715 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.244 715 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.244 715 G C -0.244 174.514 174.900 -0.236 0.000 0.982 715 G CA 0.003 44.785 45.100 -0.530 0.000 0.641 715 G HN 0.920 nan 8.290 nan 0.000 0.527 716 Y N 1.499 121.699 120.300 -0.167 0.000 2.319 716 Y HA 0.503 5.053 4.550 -0.000 0.000 0.328 716 Y C 0.633 176.450 175.900 -0.138 0.000 1.133 716 Y CA 0.702 58.739 58.100 -0.105 0.000 1.265 716 Y CB 1.317 39.779 38.460 0.003 0.000 1.218 716 Y HN 0.627 nan 8.280 nan 0.000 0.508 717 G N 6.148 114.558 108.800 -0.650 0.000 2.733 717 G HA2 0.410 4.370 3.960 -0.000 0.000 0.297 717 G HA3 0.410 4.370 3.960 -0.000 0.000 0.297 717 G C -1.904 172.632 174.900 -0.607 0.000 1.452 717 G CA -0.957 43.811 45.100 -0.553 0.000 0.940 717 G HN 0.758 nan 8.290 nan 0.000 0.547 718 L N 0.621 121.555 121.223 -0.483 0.000 2.469 718 L HA 0.764 5.104 4.340 -0.000 0.000 0.253 718 L C 0.948 177.679 176.870 -0.231 0.000 1.143 718 L CA -0.594 54.051 54.840 -0.325 0.000 0.804 718 L CB 1.638 43.571 42.059 -0.209 0.000 1.214 718 L HN 0.597 nan 8.230 nan 0.000 0.476 719 S N -1.941 113.678 115.700 -0.134 0.000 2.811 719 S HA 0.401 4.871 4.470 -0.000 0.000 0.311 719 S C 0.050 174.586 174.600 -0.107 0.000 1.152 719 S CA -0.493 57.624 58.200 -0.138 0.000 0.864 719 S CB 0.864 64.123 63.200 0.098 0.000 1.226 719 S HN 0.391 nan 8.310 nan 0.000 0.541 720 Y N 0.771 120.950 120.300 -0.200 0.000 2.482 720 Y HA 0.341 4.891 4.550 0.000 0.000 0.270 720 Y C 1.532 177.313 175.900 -0.198 0.000 1.152 720 Y CA 0.240 58.115 58.100 -0.375 0.000 1.292 720 Y CB -0.208 37.682 38.460 -0.951 0.000 1.070 720 Y HN 0.582 nan 8.280 nan 0.000 0.528 721 T N -1.114 113.451 114.554 0.017 0.000 2.676 721 T HA 0.621 4.971 4.350 -0.000 0.000 0.269 721 T C -0.444 174.114 174.700 -0.236 0.000 0.952 721 T CA -0.163 61.889 62.100 -0.081 0.000 1.040 721 T CB 1.400 70.178 68.868 -0.150 0.000 1.352 721 T HN 0.063 nan 8.240 nan 0.000 0.554 722 T N -0.494 113.786 114.554 -0.458 0.000 2.883 722 T HA 0.815 5.165 4.350 -0.000 0.000 0.296 722 T C -1.529 172.791 174.700 -0.633 0.000 1.117 722 T CA -0.665 61.232 62.100 -0.339 0.000 1.006 722 T CB 1.310 70.103 68.868 -0.124 0.000 1.191 722 T HN 0.419 nan 8.240 nan 0.000 0.508 723 F N -0.059 119.876 119.950 -0.026 0.000 2.631 723 F HA 0.643 5.170 4.527 -0.000 0.000 0.308 723 F C -0.136 175.651 175.800 -0.022 0.000 1.097 723 F CA -0.858 57.126 58.000 -0.027 0.000 0.952 723 F CB 2.363 41.340 39.000 -0.039 0.000 1.307 723 F HN 0.949 nan 8.300 nan 0.000 0.450 724 E N 1.653 121.957 120.200 0.174 0.000 2.416 724 E HA 0.850 5.200 4.350 -0.000 0.000 0.273 724 E C -1.873 174.781 176.600 0.091 0.000 0.935 724 E CA -1.190 55.270 56.400 0.102 0.000 0.784 724 E CB 3.050 32.782 29.700 0.054 0.000 1.301 724 E HN 0.554 nan 8.360 nan 0.000 0.454 725 L N -1.558 119.698 121.223 0.054 0.000 2.671 725 L HA 0.779 5.119 4.340 -0.000 0.000 0.259 725 L C -2.135 174.748 176.870 0.021 0.000 1.021 725 L CA -0.709 54.153 54.840 0.037 0.000 0.871 725 L CB 2.061 44.135 42.059 0.025 0.000 1.472 725 L HN 0.748 nan 8.230 nan 0.000 0.410 726 D N -0.461 119.948 120.400 0.015 0.000 2.803 726 D HA 0.481 5.121 4.640 -0.000 0.000 0.218 726 D C -0.880 175.422 176.300 0.003 0.000 1.245 726 D CA -0.448 53.555 54.000 0.005 0.000 0.821 726 D CB 1.261 42.065 40.800 0.007 0.000 1.626 726 D HN 0.741 nan 8.370 nan 0.000 0.487 727 I N 1.769 122.332 120.570 -0.011 0.000 2.664 727 I HA 0.026 4.196 4.170 -0.000 0.000 0.284 727 I C 1.250 177.375 176.117 0.014 0.000 1.154 727 I CA 0.263 61.558 61.300 -0.008 0.000 1.402 727 I CB 0.554 38.520 38.000 -0.058 0.000 1.395 727 I HN 0.596 nan 8.210 nan 0.000 0.545 728 S N 2.972 118.690 115.700 0.030 0.000 2.503 728 S HA 0.157 4.627 4.470 -0.000 0.000 0.215 728 S C 0.385 175.016 174.600 0.052 0.000 1.003 728 S CA -0.192 58.030 58.200 0.035 0.000 0.910 728 S CB 0.369 63.586 63.200 0.028 0.000 0.790 728 S HN 0.670 nan 8.310 nan 0.000 0.514 729 D N -0.582 119.865 120.400 0.078 0.000 2.736 729 D HA 0.587 5.227 4.640 -0.000 0.000 0.223 729 D C -2.222 174.197 176.300 0.198 0.000 1.231 729 D CA -0.450 53.609 54.000 0.099 0.000 0.818 729 D CB 2.303 43.136 40.800 0.054 0.000 1.587 729 D HN 0.133 nan 8.370 nan 0.000 0.463 730 F N 2.094 122.030 119.950 -0.022 0.000 2.604 730 F HA 0.459 4.986 4.527 -0.000 0.000 0.316 730 F C -1.446 174.329 175.800 -0.043 0.000 1.136 730 F CA -0.503 57.474 58.000 -0.039 0.000 0.989 730 F CB 1.397 40.378 39.000 -0.032 0.000 1.258 730 F HN 0.085 nan 8.300 nan 0.000 0.451 731 K N 5.922 125.869 120.400 -0.755 0.000 2.588 731 K HA 0.584 4.904 4.320 -0.000 0.000 0.250 731 K C -2.069 174.155 176.600 -0.626 0.000 0.972 731 K CA -0.573 55.390 56.287 -0.540 0.000 0.821 731 K CB 2.049 34.399 32.500 -0.249 0.000 1.249 731 K HN 0.506 nan 8.250 nan 0.000 0.442 732 V N 0.334 119.933 119.914 -0.525 0.000 2.487 732 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 732 V C 0.430 176.414 176.094 -0.184 0.000 1.028 732 V CA -0.741 61.336 62.300 -0.372 0.000 0.860 732 V CB 1.102 32.709 31.823 -0.360 0.000 0.991 732 V HN 0.839 nan 8.190 nan 0.000 0.427 733 T N 0.873 115.338 114.554 -0.149 0.000 2.914 733 T HA 0.228 4.578 4.350 -0.000 0.000 0.313 733 T C 0.563 175.226 174.700 -0.061 0.000 1.137 733 T CA 0.336 62.382 62.100 -0.089 0.000 0.946 733 T CB 1.070 69.885 68.868 -0.088 0.000 1.558 733 T HN 0.744 nan 8.240 nan 0.000 0.565 734 D N -0.002 120.374 120.400 -0.040 0.000 2.328 734 D HA 0.205 4.845 4.640 -0.000 0.000 0.226 734 D C -0.013 176.262 176.300 -0.042 0.000 1.066 734 D CA 0.416 54.404 54.000 -0.020 0.000 0.861 734 D CB 0.038 40.836 40.800 -0.005 0.000 0.912 734 D HN 0.663 nan 8.370 nan 0.000 0.521 735 D N -1.386 118.971 120.400 -0.072 0.000 2.583 735 D HA 0.151 4.791 4.640 -0.000 0.000 0.282 735 D C -0.049 176.175 176.300 -0.125 0.000 1.485 735 D CA -0.281 53.661 54.000 -0.096 0.000 0.834 735 D CB 0.870 41.618 40.800 -0.086 0.000 1.258 735 D HN -0.142 nan 8.370 nan 0.000 0.470 736 K N 0.566 120.886 120.400 -0.133 0.000 2.551 736 K HA 0.612 4.932 4.320 -0.000 0.000 0.269 736 K C -1.662 174.821 176.600 -0.195 0.000 0.949 736 K CA -0.798 55.396 56.287 -0.155 0.000 0.849 736 K CB 2.690 35.109 32.500 -0.135 0.000 1.411 736 K HN -0.152 nan 8.250 nan 0.000 0.432 737 I N 1.374 121.826 120.570 -0.196 0.000 2.447 737 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 737 I C -0.828 175.189 176.117 -0.165 0.000 1.023 737 I CA -0.427 60.730 61.300 -0.239 0.000 1.083 737 I CB 2.076 39.979 38.000 -0.161 0.000 1.245 737 I HN 0.615 nan 8.210 nan 0.000 0.434 738 A N 7.205 129.891 122.820 -0.223 0.000 2.343 738 A HA 0.934 5.254 4.320 -0.000 0.000 0.316 738 A C -0.970 176.562 177.584 -0.088 0.000 1.104 738 A CA -0.547 51.413 52.037 -0.128 0.000 0.768 738 A CB 1.193 20.116 19.000 -0.128 0.000 1.213 738 A HN 0.790 nan 8.150 nan 0.000 0.456 739 I N 0.908 121.500 120.570 0.036 0.000 2.619 739 I HA 0.711 4.881 4.170 -0.000 0.000 0.292 739 I C -0.911 175.257 176.117 0.086 0.000 1.100 739 I CA -0.056 61.340 61.300 0.160 0.000 1.043 739 I CB 2.380 40.545 38.000 0.274 0.000 1.239 739 I HN 0.432 nan 8.210 nan 0.000 0.420 740 S N 5.296 121.049 115.700 0.088 0.000 2.513 740 S HA 0.788 5.258 4.470 -0.000 0.000 0.299 740 S C -1.044 173.581 174.600 0.043 0.000 1.087 740 S CA -0.637 57.592 58.200 0.048 0.000 1.012 740 S CB 2.066 65.287 63.200 0.036 0.000 1.044 740 S HN 0.481 nan 8.310 nan 0.000 0.485 741 V N 2.758 122.689 119.914 0.028 0.000 2.577 741 V HA 0.395 4.515 4.120 -0.000 0.000 0.303 741 V C -1.262 174.844 176.094 0.020 0.000 1.042 741 V CA -0.884 61.428 62.300 0.021 0.000 0.872 741 V CB 2.084 33.916 31.823 0.015 0.000 0.998 741 V HN 0.786 nan 8.190 nan 0.000 0.423 742 D N 3.509 123.922 120.400 0.022 0.000 2.198 742 D HA 0.583 5.223 4.640 -0.000 0.000 0.245 742 D C -0.493 175.827 176.300 0.033 0.000 1.079 742 D CA -0.073 53.943 54.000 0.026 0.000 0.854 742 D CB 2.256 43.071 40.800 0.025 0.000 1.148 742 D HN 0.275 nan 8.370 nan 0.000 0.456 743 V N 1.915 121.855 119.914 0.043 0.000 2.540 743 V HA 0.453 4.572 4.120 -0.000 0.000 0.302 743 V C -0.050 176.105 176.094 0.101 0.000 1.035 743 V CA -0.941 61.400 62.300 0.068 0.000 0.873 743 V CB 1.995 33.845 31.823 0.045 0.000 0.992 743 V HN 0.396 nan 8.190 nan 0.000 0.428 744 K N 3.213 123.690 120.400 0.128 0.000 2.426 744 K HA 0.408 4.728 4.320 -0.000 0.000 0.254 744 K C -0.410 176.248 176.600 0.097 0.000 0.936 744 K CA -0.665 55.681 56.287 0.097 0.000 0.801 744 K CB 1.430 33.958 32.500 0.045 0.000 1.139 744 K HN 0.637 nan 8.250 nan 0.000 0.424 745 N N 3.226 121.944 118.700 0.030 0.000 2.400 745 N HA -0.051 4.689 4.740 -0.000 0.000 0.278 745 N C 0.472 175.868 175.510 -0.190 0.000 1.247 745 N CA 0.342 53.260 53.050 -0.220 0.000 0.970 745 N CB 0.872 39.237 38.487 -0.202 0.000 1.312 745 N HN 0.752 nan 8.380 nan 0.000 0.488 746 T N -0.234 114.198 114.554 -0.204 0.000 3.085 746 T HA 0.123 4.473 4.350 -0.000 0.000 0.263 746 T C 1.061 175.689 174.700 -0.120 0.000 1.127 746 T CA 0.053 62.082 62.100 -0.118 0.000 1.103 746 T CB -0.168 68.654 68.868 -0.076 0.000 0.921 746 T HN 0.311 nan 8.240 nan 0.000 0.510 747 G N 1.523 110.220 108.800 -0.171 0.000 2.599 747 G HA2 0.414 4.374 3.960 -0.000 0.000 0.264 747 G HA3 0.414 4.374 3.960 -0.000 0.000 0.264 747 G C 0.108 174.959 174.900 -0.081 0.000 1.200 747 G CA -0.046 44.990 45.100 -0.107 0.000 0.896 747 G HN 0.428 nan 8.290 nan 0.000 0.536 748 D N -2.203 118.163 120.400 -0.057 0.000 2.500 748 D HA 0.065 4.705 4.640 -0.000 0.000 0.217 748 D C 1.154 177.400 176.300 -0.090 0.000 1.159 748 D CA 0.037 53.998 54.000 -0.065 0.000 0.828 748 D CB 0.532 41.299 40.800 -0.055 0.000 1.039 748 D HN 0.431 nan 8.370 nan 0.000 0.512 749 K N -0.911 119.428 120.400 -0.102 0.000 2.362 749 K HA 0.217 4.537 4.320 -0.000 0.000 0.203 749 K C -0.554 175.831 176.600 -0.359 0.000 1.198 749 K CA 0.046 56.175 56.287 -0.262 0.000 0.908 749 K CB 0.521 32.810 32.500 -0.351 0.000 1.236 749 K HN -0.043 nan 8.250 nan 0.000 0.487 750 F N 1.378 121.309 119.950 -0.031 0.000 2.436 750 F HA 0.453 4.980 4.527 -0.000 0.000 0.340 750 F C 0.177 175.955 175.800 -0.037 0.000 1.113 750 F CA -1.105 56.897 58.000 0.002 0.000 1.022 750 F CB 1.614 40.653 39.000 0.065 0.000 1.128 750 F HN -0.001 nan 8.300 nan 0.000 0.466 751 A N 2.046 124.967 122.820 0.168 0.000 2.371 751 A HA 0.732 5.052 4.320 -0.000 0.000 0.257 751 A C 0.260 177.877 177.584 0.055 0.000 1.089 751 A CA 0.294 52.349 52.037 0.032 0.000 0.794 751 A CB 0.058 19.082 19.000 0.040 0.000 1.029 751 A HN 0.989 nan 8.150 nan 0.000 0.488 752 G N -0.164 108.594 108.800 -0.070 0.000 2.720 752 G HA2 0.522 4.482 3.960 -0.000 0.000 0.295 752 G HA3 0.522 4.482 3.960 -0.000 0.000 0.295 752 G C -0.961 174.034 174.900 0.159 0.000 1.437 752 G CA -0.325 44.859 45.100 0.140 0.000 0.886 752 G HN 0.785 nan 8.290 nan 0.000 0.509 753 S N -0.363 115.436 115.700 0.165 0.000 2.525 753 S HA 0.678 5.148 4.470 -0.000 0.000 0.290 753 S C -0.466 173.977 174.600 -0.261 0.000 1.152 753 S CA -0.424 57.798 58.200 0.037 0.000 1.072 753 S CB 1.834 65.100 63.200 0.109 0.000 1.027 753 S HN 0.743 nan 8.310 nan 0.000 0.500 754 E N 1.501 121.411 120.200 -0.483 0.000 2.312 754 E HA 0.596 4.946 4.350 -0.000 0.000 0.267 754 E C -1.727 174.641 176.600 -0.385 0.000 0.894 754 E CA -0.745 55.196 56.400 -0.764 0.000 0.773 754 E CB 1.432 30.240 29.700 -1.487 0.000 1.241 754 E HN 0.269 nan 8.360 nan 0.000 0.432 755 V N 3.692 123.397 119.914 -0.348 0.000 2.357 755 V HA 0.364 4.484 4.120 -0.000 0.000 0.284 755 V C -0.422 175.560 176.094 -0.186 0.000 1.018 755 V CA -0.946 61.220 62.300 -0.223 0.000 0.841 755 V CB 1.549 33.172 31.823 -0.333 0.000 0.991 755 V HN 0.606 nan 8.190 nan 0.000 0.437 756 V N 5.921 125.790 119.914 -0.074 0.000 2.488 756 V HA 0.301 4.421 4.120 -0.000 0.000 0.277 756 V C 0.095 176.217 176.094 0.047 0.000 1.046 756 V CA -0.219 62.065 62.300 -0.026 0.000 0.986 756 V CB 1.128 32.949 31.823 -0.004 0.000 0.989 756 V HN 0.927 nan 8.190 nan 0.000 0.475 757 Q N 3.530 123.356 119.800 0.043 0.000 2.333 757 Q HA 0.637 4.977 4.340 -0.000 0.000 0.267 757 Q C -1.291 174.731 176.000 0.037 0.000 1.012 757 Q CA -0.629 55.215 55.803 0.069 0.000 0.824 757 Q CB 2.712 31.503 28.738 0.089 0.000 1.290 757 Q HN 0.581 nan 8.270 nan 0.000 0.449 758 V N 3.155 123.032 119.914 -0.061 0.000 2.417 758 V HA 0.453 4.573 4.120 -0.000 0.000 0.291 758 V C -1.089 174.883 176.094 -0.202 0.000 1.024 758 V CA -0.701 61.561 62.300 -0.063 0.000 0.861 758 V CB 0.493 32.325 31.823 0.015 0.000 0.985 758 V HN 0.643 nan 8.190 nan 0.000 0.436 759 Y N 3.586 123.877 120.300 -0.015 0.000 2.485 759 Y HA 0.742 5.292 4.550 0.000 0.000 0.345 759 Y C -0.417 175.436 175.900 -0.079 0.000 0.998 759 Y CA -0.741 57.416 58.100 0.095 0.000 1.059 759 Y CB 2.144 40.665 38.460 0.101 0.000 1.234 759 Y HN 0.508 nan 8.280 nan 0.000 0.461 760 F N 0.164 120.309 119.950 0.325 0.000 2.593 760 F HA 0.739 5.266 4.527 -0.000 0.000 0.320 760 F C -0.263 175.712 175.800 0.292 0.000 1.060 760 F CA -0.702 57.481 58.000 0.306 0.000 0.940 760 F CB 2.397 41.569 39.000 0.287 0.000 1.268 760 F HN 0.263 nan 8.300 nan 0.000 0.475 761 S N 0.626 116.603 115.700 0.463 0.000 2.543 761 S HA 0.741 5.211 4.470 -0.000 0.000 0.271 761 S C -1.173 173.546 174.600 0.199 0.000 1.148 761 S CA -0.797 57.568 58.200 0.275 0.000 0.914 761 S CB 1.835 65.127 63.200 0.153 0.000 1.096 761 S HN 0.773 nan 8.310 nan 0.000 0.471 762 A N 2.189 125.029 122.820 0.033 0.000 2.301 762 A HA 0.723 5.043 4.320 -0.000 0.000 0.312 762 A C 0.535 177.954 177.584 -0.274 0.000 1.182 762 A CA -0.555 51.254 52.037 -0.380 0.000 0.826 762 A CB 0.151 18.960 19.000 -0.318 0.000 1.134 762 A HN 0.884 nan 8.150 nan 0.000 0.501 763 L N 0.970 121.975 121.223 -0.364 0.000 2.253 763 L HA 0.149 4.489 4.340 -0.000 0.000 0.205 763 L C 0.558 177.333 176.870 -0.157 0.000 1.078 763 L CA 0.789 55.508 54.840 -0.202 0.000 0.805 763 L CB 0.086 42.039 42.059 -0.176 0.000 0.963 763 L HN 0.796 nan 8.230 nan 0.000 0.459 764 N N -0.882 117.705 118.700 -0.187 0.000 2.664 764 N HA 0.075 4.815 4.740 -0.000 0.000 0.287 764 N C -0.545 174.891 175.510 -0.123 0.000 1.869 764 N CA -0.081 52.897 53.050 -0.121 0.000 0.832 764 N CB 1.044 39.482 38.487 -0.082 0.000 1.293 764 N HN -0.065 nan 8.380 nan 0.000 0.498 765 S N -0.159 115.451 115.700 -0.150 0.000 2.600 765 S HA 0.212 4.682 4.470 -0.000 0.000 0.265 765 S C 1.088 175.637 174.600 -0.085 0.000 1.325 765 S CA 0.063 58.184 58.200 -0.131 0.000 1.002 765 S CB 1.048 64.147 63.200 -0.167 0.000 0.921 765 S HN 0.328 nan 8.310 nan 0.000 0.554 766 K N 1.028 121.388 120.400 -0.066 0.000 2.360 766 K HA 0.269 4.589 4.320 -0.000 0.000 0.196 766 K C -0.375 176.196 176.600 -0.049 0.000 1.049 766 K CA 0.014 56.279 56.287 -0.037 0.000 1.049 766 K CB 0.559 33.057 32.500 -0.002 0.000 0.881 766 K HN 0.472 nan 8.250 nan 0.000 0.542 767 V N 1.385 121.229 119.914 -0.117 0.000 2.649 767 V HA 0.047 4.167 4.120 -0.000 0.000 0.292 767 V C 0.398 176.423 176.094 -0.114 0.000 1.055 767 V CA -0.276 61.924 62.300 -0.166 0.000 1.023 767 V CB 1.551 33.091 31.823 -0.471 0.000 0.992 767 V HN 0.107 nan 8.190 nan 0.000 0.480 768 S N 5.042 120.723 115.700 -0.031 0.000 2.549 768 S HA 0.506 4.976 4.470 -0.000 0.000 0.279 768 S C -0.098 174.551 174.600 0.082 0.000 1.321 768 S CA -0.292 57.945 58.200 0.061 0.000 1.054 768 S CB 0.123 63.415 63.200 0.153 0.000 0.899 768 S HN 0.725 nan 8.310 nan 0.000 0.497 769 R N 2.679 123.266 120.500 0.145 0.000 2.831 769 R HA 0.509 4.849 4.340 -0.000 0.000 0.266 769 R C -2.880 173.596 176.300 0.293 0.000 1.051 769 R CA -2.133 54.054 56.100 0.146 0.000 0.943 769 R CB 1.079 31.431 30.300 0.087 0.000 1.228 769 R HN 0.385 nan 8.270 nan 0.000 0.467 770 P HA 0.064 nan 4.420 nan 0.000 0.274 770 P C 0.740 178.173 177.300 0.222 0.000 1.237 770 P CA -0.375 62.901 63.100 0.293 0.000 0.793 770 P CB 0.678 32.484 31.700 0.176 0.000 0.977 771 V N 0.537 120.570 119.914 0.198 0.000 2.250 771 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 771 V C 1.137 177.339 176.094 0.181 0.000 1.060 771 V CA 2.088 64.478 62.300 0.149 0.000 1.030 771 V CB -1.184 30.710 31.823 0.118 0.000 0.643 771 V HN 0.733 nan 8.190 nan 0.000 0.445 772 K N -0.487 120.064 120.400 0.251 0.000 2.533 772 K HA 0.663 4.983 4.320 -0.000 0.000 0.272 772 K C -1.471 175.436 176.600 0.511 0.000 0.985 772 K CA -0.833 55.656 56.287 0.337 0.000 0.876 772 K CB 2.410 35.069 32.500 0.264 0.000 1.452 772 K HN 0.140 nan 8.250 nan 0.000 0.439 773 E N 1.381 121.933 120.200 0.586 0.000 2.260 773 E HA 0.197 4.547 4.350 -0.000 0.000 0.266 773 E C -1.345 175.563 176.600 0.513 0.000 0.887 773 E CA -1.046 55.694 56.400 0.568 0.000 0.777 773 E CB 2.165 32.080 29.700 0.358 0.000 1.205 773 E HN 0.438 nan 8.360 nan 0.000 0.414 774 L N 3.478 124.955 121.223 0.423 0.000 2.540 774 L HA -0.007 4.333 4.340 -0.000 0.000 0.276 774 L C 0.303 177.138 176.870 -0.058 0.000 1.212 774 L CA 1.006 55.784 54.840 -0.103 0.000 0.893 774 L CB 0.191 42.263 42.059 0.023 0.000 1.138 774 L HN 0.488 nan 8.230 nan 0.000 0.491 775 K N 3.785 124.066 120.400 -0.199 0.000 2.553 775 K HA 0.433 4.753 4.320 -0.000 0.000 0.205 775 K C -0.095 176.050 176.600 -0.758 0.000 1.168 775 K CA 0.359 56.281 56.287 -0.608 0.000 1.043 775 K CB 1.238 33.598 32.500 -0.233 0.000 0.967 775 K HN 0.729 nan 8.250 nan 0.000 0.585 776 G N 1.384 110.028 108.800 -0.261 0.000 2.702 776 G HA2 0.561 4.521 3.960 -0.000 0.000 0.296 776 G HA3 0.561 4.521 3.960 -0.000 0.000 0.296 776 G C -1.447 173.614 174.900 0.268 0.000 1.463 776 G CA -0.776 44.331 45.100 0.011 0.000 0.890 776 G HN 0.021 nan 8.290 nan 0.000 0.534 777 F N -0.978 119.068 119.950 0.161 0.000 2.668 777 F HA 0.908 5.435 4.527 -0.000 0.000 0.309 777 F C -1.036 174.822 175.800 0.096 0.000 1.117 777 F CA -1.243 56.840 58.000 0.138 0.000 0.951 777 F CB 2.040 41.211 39.000 0.286 0.000 1.323 777 F HN 0.377 nan 8.300 nan 0.000 0.451 778 E N 1.384 121.706 120.200 0.204 0.000 2.343 778 E HA 0.318 4.668 4.350 -0.000 0.000 0.278 778 E C -1.828 174.842 176.600 0.116 0.000 0.910 778 E CA -0.876 55.575 56.400 0.086 0.000 0.757 778 E CB 2.994 32.704 29.700 0.017 0.000 1.218 778 E HN 0.743 nan 8.360 nan 0.000 0.435 779 K N 1.121 121.581 120.400 0.101 0.000 2.182 779 K HA 0.620 4.940 4.320 -0.000 0.000 0.262 779 K C -1.244 175.376 176.600 0.033 0.000 0.957 779 K CA -0.718 55.607 56.287 0.062 0.000 0.842 779 K CB 1.680 34.237 32.500 0.096 0.000 1.099 779 K HN 0.230 nan 8.250 nan 0.000 0.438 780 V N 4.470 124.387 119.914 0.005 0.000 2.686 780 V HA 0.251 4.371 4.120 -0.000 0.000 0.306 780 V C -1.183 174.961 176.094 0.084 0.000 1.065 780 V CA -0.678 61.647 62.300 0.041 0.000 0.894 780 V CB 1.674 33.511 31.823 0.023 0.000 1.004 780 V HN 0.908 nan 8.190 nan 0.000 0.424 781 H N 6.348 125.438 119.070 0.033 0.000 2.610 781 H HA 0.607 5.163 4.556 0.000 0.000 0.336 781 H C -1.382 174.004 175.328 0.096 0.000 1.087 781 H CA -0.092 55.997 56.048 0.068 0.000 1.405 781 H CB 1.357 31.154 29.762 0.058 0.000 1.460 781 H HN 0.545 nan 8.280 nan 0.000 0.538 782 L N 4.396 125.473 121.223 -0.243 0.000 2.464 782 L HA 0.193 4.533 4.340 -0.000 0.000 0.266 782 L C -0.230 176.516 176.870 -0.208 0.000 0.965 782 L CA -0.892 53.891 54.840 -0.095 0.000 0.833 782 L CB 2.386 44.492 42.059 0.078 0.000 1.296 782 L HN 0.593 nan 8.230 nan 0.000 0.405 783 E N 2.164 122.306 120.200 -0.096 0.000 2.369 783 E HA 0.269 4.619 4.350 -0.000 0.000 0.255 783 E C -2.377 174.188 176.600 -0.057 0.000 1.172 783 E CA -1.879 54.485 56.400 -0.060 0.000 0.932 783 E CB 0.182 29.883 29.700 0.002 0.000 1.040 783 E HN 0.212 nan 8.360 nan 0.000 0.454 784 P HA -0.002 nan 4.420 nan 0.000 0.263 784 P C 0.667 177.935 177.300 -0.053 0.000 1.195 784 P CA 1.297 64.357 63.100 -0.066 0.000 0.762 784 P CB 0.268 31.931 31.700 -0.061 0.000 0.799 785 G N 1.980 110.743 108.800 -0.061 0.000 2.245 785 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.264 785 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.264 785 G C 0.330 175.218 174.900 -0.019 0.000 0.985 785 G CA 0.013 45.089 45.100 -0.039 0.000 0.625 785 G HN 0.599 nan 8.290 nan 0.000 0.536 786 E N 0.637 120.829 120.200 -0.014 0.000 2.383 786 E HA 0.463 4.813 4.350 -0.000 0.000 0.264 786 E C 0.092 176.705 176.600 0.022 0.000 1.050 786 E CA -0.178 56.225 56.400 0.006 0.000 0.896 786 E CB 0.371 30.079 29.700 0.012 0.000 0.982 786 E HN 0.329 nan 8.360 nan 0.000 0.424 787 K N 3.464 123.880 120.400 0.027 0.000 2.471 787 K HA 0.331 4.651 4.320 -0.000 0.000 0.252 787 K C -1.356 175.265 176.600 0.036 0.000 0.938 787 K CA -0.636 55.672 56.287 0.036 0.000 0.796 787 K CB 1.136 33.652 32.500 0.027 0.000 1.161 787 K HN 0.324 nan 8.250 nan 0.000 0.425 788 K N 1.653 122.078 120.400 0.042 0.000 2.318 788 K HA 0.336 4.656 4.320 -0.000 0.000 0.249 788 K C -0.992 175.626 176.600 0.030 0.000 0.942 788 K CA -0.897 55.412 56.287 0.035 0.000 0.808 788 K CB 2.267 34.791 32.500 0.041 0.000 1.189 788 K HN 0.468 nan 8.250 nan 0.000 0.428 789 T N 1.597 116.165 114.554 0.024 0.000 2.806 789 T HA 0.274 4.624 4.350 -0.000 0.000 0.290 789 T C -0.462 174.248 174.700 0.016 0.000 0.966 789 T CA -0.697 61.415 62.100 0.020 0.000 1.060 789 T CB 0.856 69.734 68.868 0.017 0.000 0.927 789 T HN 0.397 nan 8.240 nan 0.000 0.485 790 V N 2.459 122.381 119.914 0.014 0.000 2.513 790 V HA 0.681 4.801 4.120 -0.000 0.000 0.299 790 V C -0.581 175.517 176.094 0.007 0.000 1.035 790 V CA -0.969 61.336 62.300 0.008 0.000 0.889 790 V CB 1.769 33.596 31.823 0.007 0.000 0.988 790 V HN 0.741 nan 8.190 nan 0.000 0.440 791 N N 4.383 123.082 118.700 -0.002 0.000 2.370 791 N HA 0.696 5.436 4.740 -0.000 0.000 0.303 791 N C -1.155 174.348 175.510 -0.012 0.000 1.103 791 N CA -0.276 52.772 53.050 -0.003 0.000 0.848 791 N CB 2.524 41.005 38.487 -0.011 0.000 1.235 791 N HN 0.753 nan 8.380 nan 0.000 0.496 792 I N 1.312 121.880 120.570 -0.003 0.000 2.500 792 I HA 0.207 4.377 4.170 -0.000 0.000 0.286 792 I C -1.180 174.933 176.117 -0.007 0.000 1.063 792 I CA -0.589 60.707 61.300 -0.006 0.000 1.062 792 I CB 1.821 39.832 38.000 0.019 0.000 1.223 792 I HN 0.190 nan 8.210 nan 0.000 0.435 793 D N 8.243 128.622 120.400 -0.035 0.000 2.649 793 D HA 0.766 5.406 4.640 -0.000 0.000 0.249 793 D C -0.798 175.462 176.300 -0.066 0.000 1.112 793 D CA -0.261 53.708 54.000 -0.052 0.000 0.850 793 D CB 2.768 43.529 40.800 -0.064 0.000 1.399 793 D HN 0.208 nan 8.370 nan 0.000 0.503 794 L N -0.083 121.090 121.223 -0.083 0.000 2.469 794 L HA 0.395 4.735 4.340 -0.000 0.000 0.256 794 L C -0.009 176.770 176.870 -0.152 0.000 1.006 794 L CA -1.212 53.561 54.840 -0.113 0.000 0.832 794 L CB 1.765 43.746 42.059 -0.130 0.000 1.421 794 L HN 0.119 nan 8.230 nan 0.000 0.410 795 E N 1.202 121.299 120.200 -0.173 0.000 2.373 795 E HA 0.173 4.522 4.350 -0.000 0.000 0.267 795 E C 0.538 176.992 176.600 -0.243 0.000 1.032 795 E CA -0.448 55.829 56.400 -0.205 0.000 0.889 795 E CB 1.387 30.943 29.700 -0.239 0.000 0.984 795 E HN 0.487 nan 8.360 nan 0.000 0.425 796 L N 2.641 123.730 121.223 -0.222 0.000 1.978 796 L HA -0.324 4.016 4.340 -0.000 0.000 0.218 796 L C 2.657 179.379 176.870 -0.247 0.000 1.075 796 L CA 2.233 56.938 54.840 -0.226 0.000 0.767 796 L CB -0.588 41.376 42.059 -0.157 0.000 0.890 796 L HN 0.699 nan 8.230 nan 0.000 0.434 797 K N -0.618 119.624 120.400 -0.263 0.000 2.218 797 K HA -0.238 4.082 4.320 -0.000 0.000 0.205 797 K C 1.202 177.640 176.600 -0.269 0.000 1.046 797 K CA 2.084 58.192 56.287 -0.298 0.000 0.933 797 K CB -0.240 31.875 32.500 -0.643 0.000 0.728 797 K HN 0.368 nan 8.250 nan 0.000 0.454 798 D N 0.055 120.271 120.400 -0.306 0.000 2.333 798 D HA 0.054 4.694 4.640 -0.000 0.000 0.208 798 D C 1.460 177.619 176.300 -0.234 0.000 0.984 798 D CA 0.961 54.814 54.000 -0.245 0.000 0.873 798 D CB 0.596 41.266 40.800 -0.216 0.000 0.935 798 D HN 0.457 nan 8.370 nan 0.000 0.521 799 A N 0.457 123.068 122.820 -0.349 0.000 2.140 799 A HA 0.183 4.503 4.320 -0.000 0.000 0.209 799 A C 1.670 178.970 177.584 -0.473 0.000 1.181 799 A CA 0.044 51.732 52.037 -0.581 0.000 0.824 799 A CB 0.030 18.373 19.000 -1.094 0.000 0.879 799 A HN 0.262 nan 8.150 nan 0.000 0.480 800 I N -3.924 116.493 120.570 -0.255 0.000 4.160 800 I HA 0.346 4.516 4.170 -0.000 0.000 0.325 800 I C -0.350 175.837 176.117 0.116 0.000 1.455 800 I CA -0.283 60.970 61.300 -0.079 0.000 1.142 800 I CB 0.790 38.603 38.000 -0.311 0.000 1.262 800 I HN -0.123 nan 8.210 nan 0.000 0.483 801 S N 1.726 117.529 115.700 0.173 0.000 2.584 801 S HA 0.521 4.991 4.470 -0.000 0.000 0.273 801 S C -0.583 174.299 174.600 0.471 0.000 1.311 801 S CA -0.258 58.141 58.200 0.331 0.000 1.034 801 S CB 0.512 64.008 63.200 0.495 0.000 0.939 801 S HN 0.486 nan 8.310 nan 0.000 0.513 802 Y N -0.344 120.172 120.300 0.360 0.000 2.598 802 Y HA 0.755 5.305 4.550 0.000 0.000 0.340 802 Y C -1.036 175.037 175.900 0.288 0.000 1.038 802 Y CA -1.886 56.420 58.100 0.343 0.000 1.100 802 Y CB 0.685 39.261 38.460 0.193 0.000 1.281 802 Y HN 0.494 nan 8.280 nan 0.000 0.488 803 F N 3.855 123.697 119.950 -0.180 0.000 2.404 803 F HA 0.333 4.860 4.527 0.000 0.000 0.358 803 F C -0.062 175.548 175.800 -0.316 0.000 1.120 803 F CA -0.422 57.179 58.000 -0.663 0.000 1.144 803 F CB 0.495 38.842 39.000 -1.088 0.000 1.133 803 F HN 0.704 nan 8.300 nan 0.000 0.495 804 N N 5.551 123.720 118.700 -0.885 0.000 2.406 804 N HA 0.002 4.742 4.740 -0.000 0.000 0.251 804 N C 0.655 175.906 175.510 -0.432 0.000 1.069 804 N CA 0.165 52.993 53.050 -0.371 0.000 0.947 804 N CB 1.002 39.328 38.487 -0.268 0.000 1.111 804 N HN 0.960 nan 8.380 nan 0.000 0.497 805 E N 2.839 123.027 120.200 -0.020 0.000 2.250 805 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 805 E C 1.044 177.662 176.600 0.031 0.000 0.986 805 E CA 0.535 57.013 56.400 0.131 0.000 0.849 805 E CB 0.169 29.975 29.700 0.176 0.000 0.797 805 E HN 0.743 nan 8.360 nan 0.000 0.482 806 E N 0.384 120.580 120.200 -0.007 0.000 2.072 806 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 806 E C 1.878 178.435 176.600 -0.071 0.000 0.985 806 E CA 0.877 57.264 56.400 -0.022 0.000 0.801 806 E CB 0.106 29.801 29.700 -0.008 0.000 0.750 806 E HN 0.329 nan 8.360 nan 0.000 0.452 807 L N -0.609 120.531 121.223 -0.139 0.000 2.567 807 L HA 0.260 4.600 4.340 -0.000 0.000 0.225 807 L C 1.139 177.879 176.870 -0.216 0.000 1.119 807 L CA 0.233 54.958 54.840 -0.191 0.000 0.871 807 L CB 0.250 42.154 42.059 -0.260 0.000 1.036 807 L HN 0.322 nan 8.230 nan 0.000 0.459 808 G N 2.163 110.818 108.800 -0.242 0.000 2.314 808 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.292 808 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.292 808 G C -0.025 174.636 174.900 -0.398 0.000 1.059 808 G CA 0.807 45.815 45.100 -0.155 0.000 0.982 808 G HN 0.573 nan 8.290 nan 0.000 0.505 809 K N -2.013 117.778 120.400 -1.015 0.000 2.625 809 K HA 0.457 4.777 4.320 -0.000 0.000 0.284 809 K C -0.614 175.299 176.600 -1.146 0.000 0.984 809 K CA -1.542 54.211 56.287 -0.892 0.000 0.865 809 K CB 0.850 33.172 32.500 -0.297 0.000 1.468 809 K HN 0.074 nan 8.250 nan 0.000 0.407 810 W N 1.510 122.258 121.300 -0.921 0.000 2.150 810 W HA 0.290 4.950 4.660 -0.000 0.000 0.341 810 W C 0.404 176.558 176.519 -0.609 0.000 1.276 810 W CA 0.459 57.228 57.345 -0.960 0.000 1.238 810 W CB 0.466 28.877 29.460 -1.749 0.000 1.128 810 W HN 0.499 nan 8.180 nan 0.000 0.581 811 H N 0.614 119.441 119.070 -0.406 0.000 2.934 811 H HA 0.378 4.934 4.556 -0.000 0.000 0.340 811 H C -1.559 173.674 175.328 -0.158 0.000 1.008 811 H CA -0.742 55.038 56.048 -0.446 0.000 1.317 811 H CB 1.348 30.732 29.762 -0.630 0.000 1.670 811 H HN 0.183 nan 8.280 nan 0.000 0.516 812 V N 5.642 125.517 119.914 -0.066 0.000 2.353 812 V HA 0.067 4.187 4.120 -0.000 0.000 0.264 812 V C 0.422 176.309 176.094 -0.344 0.000 1.049 812 V CA -0.179 62.058 62.300 -0.104 0.000 0.896 812 V CB 0.985 32.808 31.823 -0.000 0.000 1.025 812 V HN 0.723 nan 8.190 nan 0.000 0.475 813 E N 3.686 123.669 120.200 -0.362 0.000 2.283 813 E HA 0.573 4.923 4.350 -0.000 0.000 0.278 813 E C 0.203 176.843 176.600 0.066 0.000 1.027 813 E CA -0.607 55.625 56.400 -0.281 0.000 0.843 813 E CB 1.332 30.958 29.700 -0.124 0.000 1.062 813 E HN 0.804 nan 8.360 nan 0.000 0.401 814 A N 3.019 125.892 122.820 0.089 0.000 2.477 814 A HA 0.539 4.859 4.320 -0.000 0.000 0.246 814 A C 0.491 178.155 177.584 0.133 0.000 1.078 814 A CA 0.805 52.922 52.037 0.134 0.000 0.770 814 A CB 0.314 19.380 19.000 0.110 0.000 1.011 814 A HN 0.775 nan 8.150 nan 0.000 0.494 815 G N 1.063 109.962 108.800 0.165 0.000 2.336 815 G HA2 0.437 4.397 3.960 -0.000 0.000 0.286 815 G HA3 0.437 4.397 3.960 -0.000 0.000 0.286 815 G C -1.544 173.359 174.900 0.004 0.000 1.269 815 G CA -0.742 44.370 45.100 0.021 0.000 0.873 815 G HN 0.612 nan 8.290 nan 0.000 0.494 816 E N -0.277 119.812 120.200 -0.184 0.000 2.214 816 E HA 0.670 5.020 4.350 -0.000 0.000 0.274 816 E C -1.304 175.012 176.600 -0.473 0.000 0.977 816 E CA -0.214 56.077 56.400 -0.183 0.000 0.827 816 E CB 1.799 31.421 29.700 -0.129 0.000 1.130 816 E HN 0.426 nan 8.360 nan 0.000 0.394 817 Y N 0.360 120.366 120.300 -0.490 0.000 2.605 817 Y HA 0.524 5.074 4.550 0.000 0.000 0.343 817 Y C -0.534 175.126 175.900 -0.399 0.000 1.036 817 Y CA -1.168 56.611 58.100 -0.535 0.000 1.065 817 Y CB 1.747 39.687 38.460 -0.867 0.000 1.288 817 Y HN 0.291 nan 8.280 nan 0.000 0.481 818 L N 1.761 123.024 121.223 0.066 0.000 2.406 818 L HA 0.635 4.975 4.340 -0.000 0.000 0.272 818 L C -1.382 175.573 176.870 0.142 0.000 0.980 818 L CA -0.639 54.269 54.840 0.114 0.000 0.831 818 L CB 1.687 43.770 42.059 0.039 0.000 1.253 818 L HN 0.497 nan 8.230 nan 0.000 0.406 819 V N 4.648 124.608 119.914 0.078 0.000 2.509 819 V HA 0.688 4.808 4.120 -0.000 0.000 0.284 819 V C -0.261 175.717 176.094 -0.192 0.000 1.047 819 V CA 0.112 62.223 62.300 -0.314 0.000 0.952 819 V CB 1.654 33.193 31.823 -0.473 0.000 0.988 819 V HN 0.924 nan 8.190 nan 0.000 0.469 820 S N 4.995 120.608 115.700 -0.146 0.000 2.500 820 S HA 0.760 5.230 4.470 -0.000 0.000 0.301 820 S C -0.840 173.781 174.600 0.035 0.000 1.092 820 S CA -0.567 57.614 58.200 -0.031 0.000 1.030 820 S CB 1.841 65.052 63.200 0.020 0.000 1.031 820 S HN 0.655 nan 8.310 nan 0.000 0.483 821 V N 1.824 121.749 119.914 0.019 0.000 2.656 821 V HA 0.985 5.105 4.120 -0.000 0.000 0.307 821 V C 0.484 176.612 176.094 0.056 0.000 1.051 821 V CA -0.212 62.115 62.300 0.045 0.000 0.893 821 V CB 1.623 33.439 31.823 -0.013 0.000 0.999 821 V HN 1.115 nan 8.190 nan 0.000 0.426 822 G N 1.908 110.758 108.800 0.083 0.000 2.428 822 G HA2 0.493 4.453 3.960 -0.000 0.000 0.304 822 G HA3 0.493 4.453 3.960 -0.000 0.000 0.304 822 G C -0.041 174.874 174.900 0.025 0.000 1.303 822 G CA 0.339 45.468 45.100 0.049 0.000 0.825 822 G HN 0.780 nan 8.290 nan 0.000 0.484 823 T N -2.720 111.822 114.554 -0.021 0.000 3.084 823 T HA 0.566 4.916 4.350 -0.000 0.000 0.270 823 T C 0.661 175.285 174.700 -0.126 0.000 1.008 823 T CA 0.896 62.933 62.100 -0.105 0.000 0.900 823 T CB -0.282 68.507 68.868 -0.132 0.000 1.084 823 T HN 1.891 nan 8.240 nan 0.000 0.538 824 S N 0.104 115.784 115.700 -0.034 0.000 2.636 824 S HA 0.445 4.915 4.470 -0.000 0.000 0.268 824 S C 0.854 175.460 174.600 0.011 0.000 1.159 824 S CA 0.037 58.230 58.200 -0.012 0.000 0.815 824 S CB 0.973 64.213 63.200 0.068 0.000 1.130 824 S HN 0.312 nan 8.310 nan 0.000 0.471 825 S N -0.431 115.259 115.700 -0.017 0.000 2.474 825 S HA 0.007 4.477 4.470 -0.000 0.000 0.235 825 S C 0.729 175.208 174.600 -0.202 0.000 0.997 825 S CA 1.566 59.579 58.200 -0.312 0.000 0.949 825 S CB -0.549 62.490 63.200 -0.267 0.000 0.766 825 S HN 0.746 nan 8.310 nan 0.000 0.517 826 D N 1.192 121.562 120.400 -0.050 0.000 2.433 826 D HA 0.188 4.828 4.640 -0.000 0.000 0.211 826 D C -1.011 175.294 176.300 0.007 0.000 1.114 826 D CA -0.019 53.972 54.000 -0.014 0.000 0.837 826 D CB 0.185 40.994 40.800 0.016 0.000 0.984 826 D HN 0.371 nan 8.370 nan 0.000 0.505 827 D N 0.610 121.014 120.400 0.008 0.000 2.502 827 D HA 0.181 4.821 4.640 -0.000 0.000 0.301 827 D C -0.357 175.943 176.300 0.000 0.000 1.202 827 D CA -0.428 53.585 54.000 0.021 0.000 0.878 827 D CB 0.852 41.682 40.800 0.050 0.000 1.062 827 D HN 0.025 nan 8.370 nan 0.000 0.499 828 I N 1.605 122.165 120.570 -0.017 0.000 2.441 828 I HA 0.139 4.309 4.170 -0.000 0.000 0.287 828 I C 1.077 177.192 176.117 -0.004 0.000 1.049 828 I CA 0.044 61.336 61.300 -0.014 0.000 1.381 828 I CB 1.155 39.134 38.000 -0.035 0.000 1.409 828 I HN 0.395 nan 8.210 nan 0.000 0.523 829 L N 3.615 124.839 121.223 0.000 0.000 2.878 829 L HA 0.244 4.584 4.340 -0.000 0.000 0.253 829 L C 0.522 177.387 176.870 -0.008 0.000 1.135 829 L CA 0.305 55.146 54.840 0.001 0.000 0.943 829 L CB 0.491 42.555 42.059 0.008 0.000 1.307 829 L HN 0.589 nan 8.230 nan 0.000 0.545 830 S N 0.211 115.900 115.700 -0.018 0.000 2.562 830 S HA 0.596 5.066 4.470 -0.000 0.000 0.274 830 S C -0.963 173.602 174.600 -0.058 0.000 1.160 830 S CA -0.559 57.620 58.200 -0.035 0.000 0.933 830 S CB 1.685 64.865 63.200 -0.034 0.000 1.100 830 S HN 0.013 nan 8.310 nan 0.000 0.468 831 V N 1.727 121.597 119.914 -0.073 0.000 3.160 831 V HA 0.915 5.035 4.120 -0.000 0.000 0.310 831 V C -1.108 174.903 176.094 -0.138 0.000 1.181 831 V CA -0.771 61.473 62.300 -0.095 0.000 1.047 831 V CB 2.064 33.855 31.823 -0.053 0.000 1.068 831 V HN 0.927 nan 8.190 nan 0.000 0.441 832 K N 0.628 120.928 120.400 -0.167 0.000 2.572 832 K HA 0.448 4.768 4.320 -0.000 0.000 0.263 832 K C -1.541 175.054 176.600 -0.008 0.000 0.932 832 K CA -0.462 55.716 56.287 -0.182 0.000 0.838 832 K CB 2.639 34.849 32.500 -0.484 0.000 1.366 832 K HN 1.063 nan 8.250 nan 0.000 0.425 833 E N 3.541 123.792 120.200 0.086 0.000 2.191 833 E HA 0.495 4.845 4.350 -0.000 0.000 0.278 833 E C -1.372 175.450 176.600 0.371 0.000 0.972 833 E CA -0.686 55.815 56.400 0.169 0.000 0.804 833 E CB 0.742 30.486 29.700 0.075 0.000 1.110 833 E HN 0.390 nan 8.360 nan 0.000 0.394 834 F N 1.145 121.223 119.950 0.213 0.000 2.613 834 F HA 0.573 5.100 4.527 -0.000 0.000 0.314 834 F C -0.968 174.979 175.800 0.245 0.000 1.075 834 F CA -1.354 56.802 58.000 0.259 0.000 0.945 834 F CB 1.162 40.382 39.000 0.367 0.000 1.310 834 F HN 0.225 nan 8.300 nan 0.000 0.467 835 K N 1.817 122.394 120.400 0.295 0.000 2.159 835 K HA 0.748 5.068 4.320 -0.000 0.000 0.266 835 K C -1.905 174.845 176.600 0.250 0.000 0.975 835 K CA -0.718 55.681 56.287 0.186 0.000 0.865 835 K CB 1.912 34.500 32.500 0.147 0.000 1.087 835 K HN 0.706 nan 8.250 nan 0.000 0.446 836 V N 4.646 124.688 119.914 0.213 0.000 2.531 836 V HA 0.207 4.327 4.120 -0.000 0.000 0.301 836 V C 0.232 176.413 176.094 0.144 0.000 1.034 836 V CA -0.478 61.931 62.300 0.182 0.000 0.865 836 V CB 1.431 33.328 31.823 0.124 0.000 0.995 836 V HN 1.057 nan 8.190 nan 0.000 0.424 837 E N 3.473 123.738 120.200 0.108 0.000 2.441 837 E HA 0.166 4.516 4.350 -0.000 0.000 0.212 837 E C 0.672 177.321 176.600 0.081 0.000 0.840 837 E CA -0.423 56.031 56.400 0.091 0.000 1.143 837 E CB 0.856 30.604 29.700 0.079 0.000 1.153 837 E HN 0.505 nan 8.360 nan 0.000 0.539 838 K N 2.888 123.329 120.400 0.070 0.000 2.234 838 K HA 0.122 4.442 4.320 -0.000 0.000 0.277 838 K C -0.279 176.358 176.600 0.063 0.000 1.038 838 K CA -0.370 55.956 56.287 0.065 0.000 0.888 838 K CB 1.191 33.722 32.500 0.052 0.000 1.091 838 K HN 0.139 nan 8.250 nan 0.000 0.467 839 E N 3.374 123.624 120.200 0.082 0.000 2.376 839 E HA 0.354 4.704 4.350 -0.000 0.000 0.254 839 E C -0.899 175.737 176.600 0.060 0.000 1.213 839 E CA -0.952 55.492 56.400 0.073 0.000 0.945 839 E CB 0.852 30.636 29.700 0.140 0.000 1.057 839 E HN 0.402 nan 8.360 nan 0.000 0.479 840 L N 0.820 122.057 121.223 0.023 0.000 2.588 840 L HA 0.358 4.698 4.340 -0.000 0.000 0.263 840 L C -2.161 174.731 176.870 0.037 0.000 0.935 840 L CA -0.435 54.455 54.840 0.084 0.000 0.891 840 L CB 1.599 43.724 42.059 0.109 0.000 1.318 840 L HN 0.578 nan 8.230 nan 0.000 0.409 841 Y N 5.043 125.500 120.300 0.261 0.000 2.331 841 Y HA 0.737 5.287 4.550 -0.000 0.000 0.338 841 Y C -0.588 175.488 175.900 0.294 0.000 0.992 841 Y CA -0.064 58.142 58.100 0.176 0.000 1.121 841 Y CB 1.379 39.841 38.460 0.003 0.000 1.184 841 Y HN 0.629 nan 8.280 nan 0.000 0.469 842 W N 2.166 123.604 121.300 0.231 0.000 3.083 842 W HA 0.743 5.403 4.660 -0.000 0.000 0.333 842 W C -1.999 174.713 176.519 0.322 0.000 1.217 842 W CA -1.321 56.151 57.345 0.211 0.000 1.170 842 W CB 1.363 30.901 29.460 0.130 0.000 1.437 842 W HN 0.410 nan 8.180 nan 0.000 0.557 843 K N 0.739 121.412 120.400 0.456 0.000 2.346 843 K HA 0.714 5.034 4.320 -0.000 0.000 0.238 843 K C 0.344 177.302 176.600 0.597 0.000 1.039 843 K CA -0.068 56.477 56.287 0.429 0.000 0.861 843 K CB 2.008 34.679 32.500 0.286 0.000 1.278 843 K HN 0.909 nan 8.250 nan 0.000 0.460 844 G N 0.112 109.268 108.800 0.594 0.000 2.512 844 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.240 844 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.240 844 G C -1.021 174.159 174.900 0.466 0.000 1.246 844 G CA -0.623 44.816 45.100 0.565 0.000 0.919 844 G HN 0.243 nan 8.290 nan 0.000 0.577 845 L N 0.000 121.347 121.223 0.207 0.000 2.949 845 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 845 L CA 0.000 54.810 54.840 -0.049 0.000 0.813 845 L CB 0.000 41.976 42.059 -0.138 0.000 0.961 845 L HN 0.000 nan 8.230 nan 0.000 0.502