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_D DATA FIRST_RESID 3 DATA SEQUENCE KFDVEQLLSE LNQDEKISLL SAVDFWHTKK IERLGIPAVR VSDGPNGIRG DATA SEQUENCE TKFFDGVPSG CFPNGTGLAS TFDRDLLETA GKLMAKESIA KNAAVILGPT DATA SEQUENCE TNMQRGPLGG RGFESFSEDP YLAGMATSSV VKGMQGEGIA ATVKHFVCND DATA SEQUENCE LEDQRFSSNS IVSERALREI YLEPFRLAVK HANPVCIMTA YNKVNGEHCS DATA SEQUENCE QSKKLLIDIL RDEWKWDGML MSDWFGTYTT AAAIKNGLDI EFPGPTRWRT DATA SEQUENCE RALVSHSLNS REQITTEDVD DRVRQVLKMI KFVVDNLEKT GIVENGPEST DATA SEQUENCE SNNTKETSDL LRKIAADSIV LLKNKNNILP LKKEDNIIVI GPNAKAKTSS DATA SEQUENCE GGGSASMNSY YVVSPYEGIV NKLGKEVDYT VGAYSHKSIG GLAESSLIDA DATA SEQUENCE AKPADAENSG LIAKFYSNPV XXXXXXXXPF HVTKVNRSNV HLFDFKHEKV DATA SEQUENCE DPKNPYFFVT LTGQYVPQED GDYIFSLQVY GSGLFYLNDE LIIDQKHNQE DATA SEQUENCE RGSFCFGAGT KERTKKLTLK KGQVYNVRVE YGSGPTSXXX XXXGAGGFQA DATA SEQUENCE GVIKAIDDDE EIRNAAELAA KHDKAVLIIG LNGEWETEGY DRENMDLPKR DATA SEQUENCE TNELVRAVLK ANPNTVIVNQ SGTPVEFPWL EDANALVQAW YGGNELGNAI DATA SEQUENCE ADVLYGDVVP NGKLSLSWPF KLQDNPAFLN FKTEFGRVIY GEDIFVGYRY DATA SEQUENCE YEKLQRKVAF PFGYGLSYTT FELDISDFKV TDDKIAISVD VKNTGDKFAG DATA SEQUENCE SEVVQVYFSA LNSKVSRPVK ELKGFEKVHL EPGEKKTVNI DLELKDAISY DATA SEQUENCE FNEELGKWHV EAGEYLVSVG TSSDDILSVK EFKVEKELYW KGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.665 176.600 0.108 0.000 0.988 3 K CA 0.000 56.332 56.287 0.075 0.000 0.838 3 K CB 0.000 32.526 32.500 0.044 0.000 1.064 4 F N 2.517 122.465 119.950 -0.004 0.000 2.438 4 F HA 0.260 4.789 4.527 0.002 0.000 0.360 4 F C -0.146 175.655 175.800 0.001 0.000 1.118 4 F CA -0.120 57.880 58.000 0.000 0.000 1.164 4 F CB 0.657 39.659 39.000 0.003 0.000 1.131 4 F HN 0.028 nan 8.300 nan 0.000 0.527 5 D N 6.300 126.611 120.400 -0.149 0.000 2.460 5 D HA 0.133 4.774 4.640 0.002 0.000 0.232 5 D C 0.997 177.219 176.300 -0.131 0.000 1.079 5 D CA -0.217 53.742 54.000 -0.067 0.000 0.864 5 D CB 1.503 42.265 40.800 -0.064 0.000 1.048 5 D HN 0.420 nan 8.370 nan 0.000 0.523 6 V N 4.208 124.126 119.914 0.007 0.000 2.233 6 V HA -0.265 3.856 4.120 0.002 0.000 0.252 6 V C 2.220 178.297 176.094 -0.029 0.000 1.063 6 V CA 1.718 64.031 62.300 0.022 0.000 1.032 6 V CB -0.243 31.635 31.823 0.092 0.000 0.645 6 V HN 0.591 nan 8.190 nan 0.000 0.446 7 E N -0.591 119.597 120.200 -0.021 0.000 2.153 7 E HA -0.241 4.111 4.350 0.002 0.000 0.194 7 E C 2.140 178.712 176.600 -0.046 0.000 0.988 7 E CA 1.313 57.697 56.400 -0.027 0.000 0.811 7 E CB -0.242 29.448 29.700 -0.016 0.000 0.746 7 E HN 0.667 nan 8.360 nan 0.000 0.466 8 Q N 0.749 120.508 119.800 -0.068 0.000 2.046 8 Q HA -0.041 4.300 4.340 0.002 0.000 0.200 8 Q C 2.239 178.182 176.000 -0.095 0.000 0.975 8 Q CA 1.019 56.776 55.803 -0.077 0.000 0.836 8 Q CB -0.291 28.395 28.738 -0.087 0.000 0.896 8 Q HN 0.248 nan 8.270 nan 0.000 0.428 9 L N -0.247 120.890 121.223 -0.142 0.000 2.046 9 L HA -0.177 4.164 4.340 0.002 0.000 0.208 9 L C 2.280 179.102 176.870 -0.081 0.000 1.077 9 L CA 0.903 55.656 54.840 -0.145 0.000 0.747 9 L CB -0.604 41.311 42.059 -0.239 0.000 0.896 9 L HN 0.307 nan 8.230 nan 0.000 0.432 10 L N 0.001 121.188 121.223 -0.059 0.000 2.017 10 L HA -0.223 4.118 4.340 0.002 0.000 0.208 10 L C 2.833 179.685 176.870 -0.031 0.000 1.073 10 L CA 2.180 57.000 54.840 -0.033 0.000 0.745 10 L CB -0.657 41.391 42.059 -0.020 0.000 0.894 10 L HN 0.400 nan 8.230 nan 0.000 0.432 11 S N -1.621 114.059 115.700 -0.034 0.000 2.462 11 S HA -0.231 4.240 4.470 0.002 0.000 0.243 11 S C 1.688 176.269 174.600 -0.031 0.000 1.003 11 S CA 1.667 59.849 58.200 -0.030 0.000 0.970 11 S CB -0.567 62.615 63.200 -0.030 0.000 0.762 11 S HN 0.718 nan 8.310 nan 0.000 0.510 12 E N 0.066 120.242 120.200 -0.040 0.000 2.340 12 E HA 0.312 4.663 4.350 0.002 0.000 0.198 12 E C -0.116 176.466 176.600 -0.031 0.000 0.961 12 E CA -0.289 56.088 56.400 -0.038 0.000 0.905 12 E CB 0.117 29.787 29.700 -0.050 0.000 0.884 12 E HN 0.480 nan 8.360 nan 0.000 0.491 13 L N 3.357 124.562 121.223 -0.031 0.000 2.490 13 L HA 0.008 4.350 4.340 0.002 0.000 0.274 13 L C 0.449 177.309 176.870 -0.017 0.000 1.201 13 L CA -0.517 54.309 54.840 -0.022 0.000 0.869 13 L CB -0.151 41.897 42.059 -0.018 0.000 1.123 13 L HN 0.164 nan 8.230 nan 0.000 0.484 14 N N 1.568 120.259 118.700 -0.015 0.000 2.408 14 N HA 0.023 4.764 4.740 0.002 0.000 0.260 14 N C 0.410 175.914 175.510 -0.010 0.000 1.242 14 N CA -0.469 52.574 53.050 -0.012 0.000 0.959 14 N CB 0.443 38.923 38.487 -0.011 0.000 1.201 14 N HN 0.610 nan 8.380 nan 0.000 0.511 15 Q N -0.944 118.851 119.800 -0.008 0.000 2.135 15 Q HA -0.186 4.155 4.340 0.002 0.000 0.204 15 Q C 0.206 176.202 176.000 -0.006 0.000 0.981 15 Q CA 1.727 57.527 55.803 -0.006 0.000 0.856 15 Q CB -0.060 28.676 28.738 -0.003 0.000 0.902 15 Q HN 0.626 nan 8.270 nan 0.000 0.425 16 D N -0.138 120.258 120.400 -0.007 0.000 2.224 16 D HA -0.107 4.534 4.640 0.002 0.000 0.205 16 D C 1.349 177.642 176.300 -0.013 0.000 0.965 16 D CA 0.820 54.814 54.000 -0.010 0.000 0.852 16 D CB 0.034 40.827 40.800 -0.011 0.000 0.947 16 D HN 0.373 nan 8.370 nan 0.000 0.494 17 E N 0.728 120.922 120.200 -0.011 0.000 2.072 17 E HA -0.079 4.273 4.350 0.002 0.000 0.190 17 E C 1.947 178.542 176.600 -0.009 0.000 0.982 17 E CA 0.633 57.026 56.400 -0.011 0.000 0.803 17 E CB 0.177 29.871 29.700 -0.010 0.000 0.755 17 E HN 0.182 nan 8.360 nan 0.000 0.453 18 K N 0.637 121.033 120.400 -0.008 0.000 2.015 18 K HA -0.205 4.117 4.320 0.002 0.000 0.216 18 K C 2.146 178.742 176.600 -0.008 0.000 1.052 18 K CA 1.567 57.851 56.287 -0.005 0.000 0.937 18 K CB -0.339 32.158 32.500 -0.004 0.000 0.719 18 K HN 0.089 nan 8.250 nan 0.000 0.446 19 I N 1.365 121.930 120.570 -0.009 0.000 2.264 19 I HA -0.317 3.854 4.170 0.002 0.000 0.248 19 I C 2.594 178.697 176.117 -0.025 0.000 1.111 19 I CA 1.562 62.855 61.300 -0.012 0.000 1.382 19 I CB -0.370 37.625 38.000 -0.008 0.000 1.060 19 I HN 0.262 nan 8.210 nan 0.000 0.418 20 S N 0.651 116.335 115.700 -0.027 0.000 2.447 20 S HA -0.075 4.397 4.470 0.002 0.000 0.233 20 S C 1.912 176.483 174.600 -0.047 0.000 1.006 20 S CA 0.732 58.907 58.200 -0.041 0.000 0.957 20 S CB -0.641 62.538 63.200 -0.035 0.000 0.773 20 S HN 0.451 nan 8.310 nan 0.000 0.507 21 L N 0.540 121.746 121.223 -0.028 0.000 2.291 21 L HA 0.168 4.510 4.340 0.002 0.000 0.214 21 L C 1.987 178.834 176.870 -0.039 0.000 1.120 21 L CA 0.670 55.497 54.840 -0.022 0.000 0.799 21 L CB -0.393 41.671 42.059 0.008 0.000 0.925 21 L HN 0.346 nan 8.230 nan 0.000 0.446 22 L N -0.881 120.317 121.223 -0.041 0.000 2.610 22 L HA 0.044 4.385 4.340 0.002 0.000 0.232 22 L C 0.880 177.697 176.870 -0.089 0.000 1.149 22 L CA -0.008 54.807 54.840 -0.041 0.000 0.872 22 L CB -0.520 41.527 42.059 -0.020 0.000 0.992 22 L HN 0.304 nan 8.230 nan 0.000 0.447 23 S N -1.283 114.332 115.700 -0.142 0.000 2.627 23 S HA 0.774 5.246 4.470 0.002 0.000 0.283 23 S C -0.413 173.960 174.600 -0.378 0.000 1.127 23 S CA -0.676 57.367 58.200 -0.261 0.000 0.863 23 S CB 2.306 65.376 63.200 -0.217 0.000 1.121 23 S HN 0.010 nan 8.310 nan 0.000 0.479 24 A N 0.741 123.166 122.820 -0.659 0.000 2.304 24 A HA 0.638 4.959 4.320 0.002 0.000 0.271 24 A C 0.954 178.284 177.584 -0.423 0.000 1.091 24 A CA -0.602 50.985 52.037 -0.750 0.000 0.812 24 A CB 0.135 18.242 19.000 -1.489 0.000 1.056 24 A HN 1.073 nan 8.150 nan 0.000 0.489 25 V N 0.599 120.358 119.914 -0.258 0.000 2.599 25 V HA 0.068 4.189 4.120 0.002 0.000 0.245 25 V C 0.787 176.793 176.094 -0.147 0.000 1.046 25 V CA 2.051 64.258 62.300 -0.154 0.000 1.065 25 V CB -0.974 30.807 31.823 -0.069 0.000 0.703 25 V HN 1.074 nan 8.190 nan 0.000 0.464 26 D N -2.748 117.580 120.400 -0.119 0.000 3.076 26 D HA 0.162 4.803 4.640 0.002 0.000 0.301 26 D C 0.753 176.909 176.300 -0.240 0.000 1.260 26 D CA -0.676 53.258 54.000 -0.111 0.000 1.027 26 D CB 0.016 40.885 40.800 0.115 0.000 1.370 26 D HN -0.088 nan 8.370 nan 0.000 0.602 27 F N -1.183 118.616 119.950 -0.251 0.000 2.216 27 F HA 0.071 4.599 4.527 0.003 0.000 0.300 27 F C 1.123 176.548 175.800 -0.624 0.000 1.085 27 F CA 1.045 58.681 58.000 -0.607 0.000 1.326 27 F CB -0.053 38.415 39.000 -0.887 0.000 1.027 27 F HN 0.281 nan 8.300 nan 0.000 0.497 28 W N -2.737 118.872 121.300 0.516 0.000 2.534 28 W HA 0.240 4.902 4.660 0.002 0.000 0.339 28 W C -0.431 176.094 176.519 0.010 0.000 0.961 28 W CA -0.301 57.230 57.345 0.310 0.000 1.545 28 W CB -0.049 29.442 29.460 0.050 0.000 1.104 28 W HN -0.231 nan 8.180 nan 0.000 0.538 29 H N -1.060 118.246 119.070 0.394 0.000 2.717 29 H HA 0.448 5.005 4.556 0.003 0.000 0.366 29 H C 0.641 176.005 175.328 0.060 0.000 1.132 29 H CA -0.794 55.407 56.048 0.254 0.000 1.180 29 H CB 1.378 31.246 29.762 0.177 0.000 1.678 29 H HN -0.223 nan 8.280 nan 0.000 0.537 30 T N -1.303 113.377 114.554 0.209 0.000 2.793 30 T HA 0.287 4.638 4.350 0.002 0.000 0.299 30 T C 0.326 175.055 174.700 0.049 0.000 1.038 30 T CA -0.954 61.178 62.100 0.053 0.000 0.948 30 T CB 0.751 69.689 68.868 0.116 0.000 1.231 30 T HN 0.351 nan 8.240 nan 0.000 0.538 31 K N 0.692 121.099 120.400 0.012 0.000 2.227 31 K HA 0.297 4.618 4.320 0.002 0.000 0.280 31 K C -0.260 176.361 176.600 0.036 0.000 1.041 31 K CA -0.514 55.775 56.287 0.004 0.000 0.905 31 K CB 0.736 33.224 32.500 -0.021 0.000 1.068 31 K HN 0.682 nan 8.250 nan 0.000 0.470 32 K N 5.456 125.874 120.400 0.030 0.000 2.412 32 K HA 0.112 4.434 4.320 0.002 0.000 0.284 32 K C -0.500 176.116 176.600 0.027 0.000 1.046 32 K CA -0.146 56.162 56.287 0.036 0.000 0.999 32 K CB 0.320 32.833 32.500 0.022 0.000 0.941 32 K HN 0.539 nan 8.250 nan 0.000 0.474 33 I N 5.169 125.763 120.570 0.039 0.000 2.479 33 I HA 0.053 4.224 4.170 0.002 0.000 0.279 33 I C 1.064 177.197 176.117 0.025 0.000 1.102 33 I CA -0.082 61.233 61.300 0.026 0.000 1.196 33 I CB 0.609 38.623 38.000 0.022 0.000 1.427 33 I HN 0.914 nan 8.210 nan 0.000 0.503 34 E N 4.331 124.542 120.200 0.018 0.000 2.085 34 E HA -0.242 4.110 4.350 0.002 0.000 0.194 34 E C 2.043 178.650 176.600 0.012 0.000 0.994 34 E CA 1.298 57.709 56.400 0.018 0.000 0.801 34 E CB 0.238 29.945 29.700 0.011 0.000 0.743 34 E HN 0.492 nan 8.360 nan 0.000 0.453 35 R N 0.042 120.544 120.500 0.004 0.000 2.174 35 R HA -0.162 4.179 4.340 0.002 0.000 0.253 35 R C 1.554 177.849 176.300 -0.007 0.000 1.165 35 R CA 1.393 57.491 56.100 -0.003 0.000 0.984 35 R CB -0.038 30.257 30.300 -0.008 0.000 0.873 35 R HN 0.231 nan 8.270 nan 0.000 0.456 36 L N -0.941 120.279 121.223 -0.005 0.000 3.069 36 L HA 0.316 4.658 4.340 0.002 0.000 0.271 36 L C 0.508 177.375 176.870 -0.005 0.000 1.201 36 L CA 0.076 54.902 54.840 -0.023 0.000 1.015 36 L CB 1.205 43.236 42.059 -0.047 0.000 1.371 36 L HN 0.417 nan 8.230 nan 0.000 0.574 37 G N 1.913 110.732 108.800 0.032 0.000 2.350 37 G HA2 -0.283 3.678 3.960 0.002 0.000 0.298 37 G HA3 -0.283 3.678 3.960 0.002 0.000 0.298 37 G C -0.187 174.803 174.900 0.150 0.000 1.037 37 G CA 0.099 45.242 45.100 0.072 0.000 1.074 37 G HN 0.336 nan 8.290 nan 0.000 0.511 38 I N 1.969 122.624 120.570 0.141 0.000 2.382 38 I HA 0.335 4.506 4.170 0.002 0.000 0.285 38 I C -1.940 174.260 176.117 0.137 0.000 1.007 38 I CA -2.428 59.001 61.300 0.214 0.000 1.142 38 I CB 2.314 40.419 38.000 0.175 0.000 1.289 38 I HN 0.017 nan 8.210 nan 0.000 0.453 39 P HA 0.283 nan 4.420 nan 0.000 0.283 39 P C -0.776 176.582 177.300 0.097 0.000 1.271 39 P CA -0.714 62.441 63.100 0.091 0.000 0.841 39 P CB 1.234 32.980 31.700 0.077 0.000 1.122 40 A N 1.942 124.821 122.820 0.098 0.000 2.489 40 A HA 0.245 4.566 4.320 0.002 0.000 0.289 40 A C 0.391 178.090 177.584 0.191 0.000 1.216 40 A CA -0.167 51.953 52.037 0.139 0.000 0.883 40 A CB -1.119 17.954 19.000 0.122 0.000 1.110 40 A HN 0.348 nan 8.150 nan 0.000 0.523 41 V N 4.242 124.266 119.914 0.182 0.000 2.585 41 V HA 0.110 4.231 4.120 0.002 0.000 0.296 41 V C 1.010 177.241 176.094 0.228 0.000 1.035 41 V CA 0.115 62.525 62.300 0.183 0.000 1.084 41 V CB 0.502 32.420 31.823 0.159 0.000 0.953 41 V HN 0.939 nan 8.190 nan 0.000 0.483 42 R N 4.089 124.695 120.500 0.176 0.000 2.404 42 R HA 0.690 5.031 4.340 0.002 0.000 0.291 42 R C -0.696 175.649 176.300 0.075 0.000 1.025 42 R CA -0.438 55.684 56.100 0.038 0.000 0.991 42 R CB 1.641 31.961 30.300 0.034 0.000 1.053 42 R HN 0.681 nan 8.270 nan 0.000 0.479 43 V N -0.318 119.666 119.914 0.116 0.000 3.074 43 V HA 0.820 4.942 4.120 0.002 0.000 0.314 43 V C -0.939 175.192 176.094 0.062 0.000 1.117 43 V CA -0.647 61.726 62.300 0.121 0.000 1.014 43 V CB 1.988 33.910 31.823 0.165 0.000 1.057 43 V HN 0.767 nan 8.190 nan 0.000 0.438 44 S N 0.597 116.254 115.700 -0.072 0.000 2.537 44 S HA 0.467 4.938 4.470 0.002 0.000 0.270 44 S C -1.240 173.204 174.600 -0.260 0.000 1.142 44 S CA -0.612 57.409 58.200 -0.298 0.000 0.870 44 S CB 1.837 64.847 63.200 -0.316 0.000 1.112 44 S HN 1.006 nan 8.310 nan 0.000 0.466 45 D N 1.453 121.636 120.400 -0.360 0.000 2.361 45 D HA 0.552 5.193 4.640 0.002 0.000 0.239 45 D C 0.637 176.788 176.300 -0.248 0.000 1.200 45 D CA 0.630 54.467 54.000 -0.271 0.000 0.915 45 D CB 1.160 41.799 40.800 -0.269 0.000 1.170 45 D HN 0.686 nan 8.370 nan 0.000 0.444 46 G N -0.437 108.245 108.800 -0.197 0.000 3.058 46 G HA2 0.353 4.315 3.960 0.002 0.000 0.282 46 G HA3 0.353 4.315 3.960 0.002 0.000 0.282 46 G C -2.315 172.474 174.900 -0.184 0.000 1.248 46 G CA -0.619 44.377 45.100 -0.173 0.000 0.822 46 G HN 0.260 nan 8.290 nan 0.000 0.579 47 P HA 0.090 nan 4.420 nan 0.000 0.249 47 P C -0.087 177.079 177.300 -0.223 0.000 1.229 47 P CA 0.638 63.602 63.100 -0.227 0.000 0.788 47 P CB 0.016 31.544 31.700 -0.287 0.000 1.072 48 N N -0.575 118.027 118.700 -0.163 0.000 2.646 48 N HA 0.461 5.203 4.740 0.002 0.000 0.303 48 N C -0.150 175.367 175.510 0.013 0.000 1.921 48 N CA -0.452 52.533 53.050 -0.109 0.000 0.872 48 N CB 0.456 38.971 38.487 0.048 0.000 1.327 48 N HN 0.056 nan 8.380 nan 0.000 0.492 49 G N 0.242 108.972 108.800 -0.117 0.000 2.525 49 G HA2 0.112 4.073 3.960 0.002 0.000 0.685 49 G HA3 0.112 4.073 3.960 0.002 0.000 0.685 49 G C -1.687 173.166 174.900 -0.078 0.000 1.285 49 G CA -1.052 44.086 45.100 0.064 0.000 0.849 49 G HN 0.156 nan 8.290 nan 0.000 0.653 50 I N 2.213 122.736 120.570 -0.079 0.000 2.347 50 I HA 0.373 4.544 4.170 0.002 0.000 0.283 50 I C 1.596 177.592 176.117 -0.202 0.000 1.058 50 I CA -0.685 60.528 61.300 -0.146 0.000 1.202 50 I CB 0.735 38.673 38.000 -0.103 0.000 1.386 50 I HN 0.849 nan 8.210 nan 0.000 0.475 51 R N 4.415 124.746 120.500 -0.283 0.000 2.081 51 R HA 0.055 4.397 4.340 0.002 0.000 0.235 51 R C 1.005 177.096 176.300 -0.349 0.000 1.131 51 R CA 1.320 57.213 56.100 -0.345 0.000 0.960 51 R CB 0.181 30.189 30.300 -0.486 0.000 0.856 51 R HN 0.892 nan 8.270 nan 0.000 0.436 52 G N -1.660 106.884 108.800 -0.427 0.000 2.582 52 G HA2 -0.298 3.664 3.960 0.002 0.000 0.222 52 G HA3 -0.298 3.664 3.960 0.002 0.000 0.222 52 G C 0.447 174.993 174.900 -0.589 0.000 1.311 52 G CA 0.127 44.988 45.100 -0.398 0.000 0.915 52 G HN 0.285 nan 8.290 nan 0.000 0.528 53 T N -1.662 112.653 114.554 -0.400 0.000 3.113 53 T HA 0.296 4.648 4.350 0.002 0.000 0.263 53 T C 0.774 175.448 174.700 -0.043 0.000 1.143 53 T CA 1.924 63.791 62.100 -0.388 0.000 1.090 53 T CB -0.463 68.436 68.868 0.051 0.000 0.922 53 T HN 1.236 nan 8.240 nan 0.000 0.521 54 K N -1.682 118.696 120.400 -0.037 0.000 2.512 54 K HA 0.546 4.868 4.320 0.002 0.000 0.263 54 K C -0.754 175.930 176.600 0.140 0.000 0.966 54 K CA -1.040 55.362 56.287 0.192 0.000 0.851 54 K CB 1.013 33.657 32.500 0.240 0.000 1.395 54 K HN -0.056 nan 8.250 nan 0.000 0.440 55 F N 0.425 120.561 119.950 0.309 0.000 2.289 55 F HA 0.260 4.788 4.527 0.002 0.000 0.280 55 F C 0.784 176.753 175.800 0.281 0.000 1.045 55 F CA 0.049 58.225 58.000 0.292 0.000 1.236 55 F CB 0.276 39.583 39.000 0.511 0.000 1.116 55 F HN 0.549 nan 8.300 nan 0.000 0.550 56 F N 2.016 122.262 119.950 0.493 0.000 2.443 56 F HA 0.184 4.713 4.527 0.002 0.000 0.353 56 F C 0.745 176.713 175.800 0.281 0.000 1.101 56 F CA -0.819 57.381 58.000 0.334 0.000 1.226 56 F CB 0.272 39.464 39.000 0.319 0.000 1.140 56 F HN 0.307 nan 8.300 nan 0.000 0.557 57 D N 3.001 122.913 120.400 -0.814 0.000 2.772 57 D HA -0.164 4.478 4.640 0.002 0.000 0.233 57 D C -0.035 176.181 176.300 -0.141 0.000 1.143 57 D CA 1.062 54.747 54.000 -0.526 0.000 0.700 57 D CB -1.197 39.278 40.800 -0.543 0.000 1.076 57 D HN 0.953 nan 8.370 nan 0.000 0.430 58 G N -0.356 108.400 108.800 -0.072 0.000 2.415 58 G HA2 0.469 4.430 3.960 0.002 0.000 0.269 58 G HA3 0.469 4.430 3.960 0.002 0.000 0.269 58 G C 0.297 175.170 174.900 -0.046 0.000 1.209 58 G CA -0.367 44.712 45.100 -0.034 0.000 0.835 58 G HN 0.354 nan 8.290 nan 0.000 0.534 59 V N 4.434 124.328 119.914 -0.034 0.000 2.557 59 V HA 0.036 4.157 4.120 0.002 0.000 0.301 59 V C -1.391 174.683 176.094 -0.033 0.000 1.026 59 V CA -0.793 61.499 62.300 -0.014 0.000 1.137 59 V CB 0.640 32.461 31.823 -0.003 0.000 0.917 59 V HN 0.592 nan 8.190 nan 0.000 0.484 60 P HA 0.167 nan 4.420 nan 0.000 0.267 60 P C -0.241 176.968 177.300 -0.152 0.000 1.200 60 P CA 0.255 63.327 63.100 -0.046 0.000 0.772 60 P CB 0.798 32.567 31.700 0.115 0.000 0.855 61 S N -0.000 115.395 115.700 -0.508 0.000 2.697 61 S HA 0.684 5.155 4.470 0.002 0.000 0.289 61 S C -0.455 173.449 174.600 -1.161 0.000 1.149 61 S CA -0.641 57.158 58.200 -0.668 0.000 0.850 61 S CB 1.168 64.192 63.200 -0.293 0.000 1.151 61 S HN 0.463 nan 8.310 nan 0.000 0.491 62 G N 1.178 109.559 108.800 -0.699 0.000 2.519 62 G HA2 0.343 4.304 3.960 0.002 0.000 0.306 62 G HA3 0.343 4.304 3.960 0.002 0.000 0.306 62 G C 0.021 174.798 174.900 -0.204 0.000 0.965 62 G CA -0.199 44.640 45.100 -0.434 0.000 1.291 62 G HN 0.702 nan 8.290 nan 0.000 0.450 63 C N 4.819 123.976 119.300 -0.239 0.000 2.555 63 C HA 0.473 4.934 4.460 0.002 0.000 0.385 63 C C 0.649 175.634 174.990 -0.008 0.000 1.296 63 C CA -1.059 57.927 59.018 -0.055 0.000 1.757 63 C CB -1.925 25.756 27.740 -0.098 0.000 2.445 63 C HN 0.526 nan 8.230 nan 0.000 0.571 64 F N 6.450 126.376 119.950 -0.040 0.000 2.403 64 F HA 0.353 4.882 4.527 0.003 0.000 0.320 64 F C -1.379 174.448 175.800 0.044 0.000 1.176 64 F CA -1.761 56.242 58.000 0.006 0.000 1.206 64 F CB 0.252 39.257 39.000 0.008 0.000 1.235 64 F HN 0.423 nan 8.300 nan 0.000 0.565 65 P HA 0.021 nan 4.420 nan 0.000 0.272 65 P C -0.973 176.461 177.300 0.222 0.000 1.230 65 P CA -0.531 62.706 63.100 0.229 0.000 0.788 65 P CB 0.343 32.159 31.700 0.193 0.000 0.949 66 N N 0.544 119.397 118.700 0.255 0.000 2.453 66 N HA -0.036 4.706 4.740 0.002 0.000 0.253 66 N C 1.416 176.986 175.510 0.100 0.000 1.252 66 N CA 0.283 53.495 53.050 0.269 0.000 0.917 66 N CB 0.179 38.967 38.487 0.503 0.000 1.117 66 N HN 0.481 nan 8.380 nan 0.000 0.442 67 G N 0.803 109.612 108.800 0.014 0.000 2.469 67 G HA2 -0.372 3.589 3.960 0.002 0.000 0.220 67 G HA3 -0.372 3.589 3.960 0.002 0.000 0.220 67 G C 1.482 176.346 174.900 -0.059 0.000 1.136 67 G CA 1.844 46.900 45.100 -0.074 0.000 0.759 67 G HN 0.829 nan 8.290 nan 0.000 0.562 68 T N -0.757 113.683 114.554 -0.190 0.000 2.777 68 T HA 0.060 4.412 4.350 0.002 0.000 0.266 68 T C 2.459 176.548 174.700 -1.019 0.000 1.040 68 T CA 1.502 63.355 62.100 -0.411 0.000 1.141 68 T CB -0.789 67.900 68.868 -0.298 0.000 0.868 68 T HN 0.281 nan 8.240 nan 0.000 0.444 69 G N 2.312 110.330 108.800 -1.302 0.000 2.514 69 G HA2 -0.172 3.790 3.960 0.002 0.000 0.217 69 G HA3 -0.172 3.790 3.960 0.002 0.000 0.217 69 G C 1.520 176.142 174.900 -0.463 0.000 1.198 69 G CA 1.111 45.431 45.100 -1.300 0.000 0.780 69 G HN 0.520 nan 8.290 nan 0.000 0.565 70 L N 0.744 121.853 121.223 -0.190 0.000 2.012 70 L HA -0.128 4.214 4.340 0.002 0.000 0.210 70 L C 3.429 180.230 176.870 -0.115 0.000 1.073 70 L CA 1.257 56.070 54.840 -0.045 0.000 0.748 70 L CB -0.504 41.612 42.059 0.096 0.000 0.891 70 L HN 0.328 nan 8.230 nan 0.000 0.431 71 A N -0.895 121.838 122.820 -0.146 0.000 1.969 71 A HA -0.164 4.158 4.320 0.002 0.000 0.218 71 A C 2.458 179.843 177.584 -0.331 0.000 1.169 71 A CA 1.756 53.612 52.037 -0.302 0.000 0.635 71 A CB -0.532 18.329 19.000 -0.231 0.000 0.810 71 A HN 0.371 nan 8.150 nan 0.000 0.445 72 S N -0.058 115.535 115.700 -0.178 0.000 2.440 72 S HA -0.168 4.304 4.470 0.002 0.000 0.238 72 S C 2.139 176.873 174.600 0.223 0.000 1.010 72 S CA 1.805 60.060 58.200 0.092 0.000 0.972 72 S CB -0.674 62.613 63.200 0.145 0.000 0.774 72 S HN 0.928 nan 8.310 nan 0.000 0.501 73 T N -0.974 113.630 114.554 0.084 0.000 2.833 73 T HA -0.082 4.270 4.350 0.002 0.000 0.269 73 T C 0.921 175.761 174.700 0.232 0.000 1.054 73 T CA 0.922 63.091 62.100 0.116 0.000 1.135 73 T CB -0.911 67.990 68.868 0.054 0.000 0.869 73 T HN 0.378 nan 8.240 nan 0.000 0.466 74 F N 1.162 121.034 119.950 -0.130 0.000 3.100 74 F HA -0.145 4.383 4.527 0.002 0.000 0.284 74 F C 0.125 176.021 175.800 0.159 0.000 0.875 74 F CA 0.608 58.518 58.000 -0.151 0.000 1.039 74 F CB -1.590 37.259 39.000 -0.251 0.000 1.111 74 F HN 0.294 nan 8.300 nan 0.000 0.575 75 D N 0.335 120.861 120.400 0.210 0.000 2.472 75 D HA 0.271 4.913 4.640 0.002 0.000 0.234 75 D C 1.220 177.570 176.300 0.084 0.000 1.088 75 D CA -0.378 53.717 54.000 0.159 0.000 0.882 75 D CB 0.651 41.504 40.800 0.089 0.000 1.037 75 D HN 0.160 nan 8.370 nan 0.000 0.520 76 R N 1.949 122.495 120.500 0.075 0.000 2.080 76 R HA -0.137 4.205 4.340 0.002 0.000 0.236 76 R C 0.913 177.189 176.300 -0.040 0.000 1.137 76 R CA 1.109 57.189 56.100 -0.034 0.000 0.943 76 R CB 0.007 30.233 30.300 -0.123 0.000 0.846 76 R HN 0.411 nan 8.270 nan 0.000 0.431 77 D N 0.996 121.380 120.400 -0.026 0.000 2.116 77 D HA -0.168 4.473 4.640 0.002 0.000 0.193 77 D C 1.890 178.186 176.300 -0.007 0.000 0.998 77 D CA 1.007 54.994 54.000 -0.022 0.000 0.836 77 D CB -0.282 40.509 40.800 -0.015 0.000 0.951 77 D HN 0.045 nan 8.370 nan 0.000 0.449 78 L N 0.656 121.883 121.223 0.006 0.000 2.046 78 L HA -0.084 4.257 4.340 0.002 0.000 0.208 78 L C 2.183 179.064 176.870 0.019 0.000 1.077 78 L CA 1.300 56.151 54.840 0.019 0.000 0.747 78 L CB -0.574 41.502 42.059 0.028 0.000 0.896 78 L HN 0.030 nan 8.230 nan 0.000 0.432 79 L N -0.564 120.654 121.223 -0.008 0.000 2.046 79 L HA -0.235 4.107 4.340 0.002 0.000 0.208 79 L C 2.588 179.439 176.870 -0.032 0.000 1.077 79 L CA 1.806 56.626 54.840 -0.035 0.000 0.747 79 L CB -0.592 41.401 42.059 -0.110 0.000 0.896 79 L HN 0.429 nan 8.230 nan 0.000 0.432 80 E N -0.413 119.763 120.200 -0.039 0.000 2.118 80 E HA -0.218 4.133 4.350 0.002 0.000 0.195 80 E C 1.966 178.566 176.600 -0.000 0.000 0.992 80 E CA 1.692 58.073 56.400 -0.031 0.000 0.804 80 E CB 0.130 29.806 29.700 -0.039 0.000 0.741 80 E HN 0.344 nan 8.360 nan 0.000 0.458 81 T N -0.020 114.544 114.554 0.017 0.000 2.777 81 T HA -0.098 4.254 4.350 0.002 0.000 0.266 81 T C 1.733 176.486 174.700 0.088 0.000 1.040 81 T CA 1.171 63.297 62.100 0.044 0.000 1.141 81 T CB -0.208 68.684 68.868 0.040 0.000 0.868 81 T HN 0.338 nan 8.240 nan 0.000 0.444 82 A N 1.143 124.029 122.820 0.110 0.000 1.969 82 A HA 0.175 4.496 4.320 0.002 0.000 0.218 82 A C 2.541 180.164 177.584 0.066 0.000 1.169 82 A CA 1.738 53.905 52.037 0.217 0.000 0.635 82 A CB -1.274 17.863 19.000 0.228 0.000 0.810 82 A HN 0.501 nan 8.150 nan 0.000 0.445 83 G N 0.126 108.922 108.800 -0.005 0.000 2.514 83 G HA2 -0.309 3.652 3.960 0.002 0.000 0.217 83 G HA3 -0.309 3.652 3.960 0.002 0.000 0.217 83 G C 1.678 176.576 174.900 -0.003 0.000 1.198 83 G CA 1.243 46.318 45.100 -0.041 0.000 0.780 83 G HN 0.555 nan 8.290 nan 0.000 0.565 84 K N -0.489 119.931 120.400 0.033 0.000 2.044 84 K HA -0.086 4.235 4.320 0.002 0.000 0.210 84 K C 2.451 179.103 176.600 0.087 0.000 1.049 84 K CA 1.260 57.577 56.287 0.051 0.000 0.927 84 K CB -0.372 32.158 32.500 0.049 0.000 0.713 84 K HN 0.265 nan 8.250 nan 0.000 0.443 85 L N 1.220 122.531 121.223 0.147 0.000 2.017 85 L HA -0.159 4.182 4.340 0.002 0.000 0.208 85 L C 2.173 179.210 176.870 0.278 0.000 1.073 85 L CA 1.594 56.575 54.840 0.235 0.000 0.745 85 L CB -0.308 41.946 42.059 0.325 0.000 0.894 85 L HN 0.194 nan 8.230 nan 0.000 0.432 86 M N -0.977 118.735 119.600 0.187 0.000 2.082 86 M HA -0.265 4.217 4.480 0.002 0.000 0.258 86 M C 2.311 178.618 176.300 0.011 0.000 1.069 86 M CA 2.100 57.384 55.300 -0.027 0.000 1.102 86 M CB -0.660 31.732 32.600 -0.347 0.000 1.336 86 M HN 0.446 nan 8.290 nan 0.000 0.404 87 A N 0.605 123.433 122.820 0.012 0.000 1.903 87 A HA -0.253 4.069 4.320 0.002 0.000 0.219 87 A C 2.078 179.688 177.584 0.045 0.000 1.191 87 A CA 2.254 54.307 52.037 0.027 0.000 0.638 87 A CB -0.678 18.342 19.000 0.034 0.000 0.823 87 A HN 0.506 nan 8.150 nan 0.000 0.451 88 K N -0.663 119.777 120.400 0.067 0.000 2.097 88 K HA -0.080 4.241 4.320 0.002 0.000 0.205 88 K C 1.933 178.577 176.600 0.073 0.000 1.050 88 K CA 1.199 57.526 56.287 0.066 0.000 0.938 88 K CB -0.096 32.448 32.500 0.073 0.000 0.718 88 K HN 0.456 nan 8.250 nan 0.000 0.442 89 E N 0.512 120.772 120.200 0.099 0.000 2.150 89 E HA -0.113 4.238 4.350 0.002 0.000 0.193 89 E C 2.050 178.678 176.600 0.046 0.000 0.985 89 E CA 0.695 57.154 56.400 0.099 0.000 0.814 89 E CB 0.053 29.845 29.700 0.154 0.000 0.752 89 E HN 0.125 nan 8.360 nan 0.000 0.466 90 S N 0.541 116.257 115.700 0.026 0.000 2.368 90 S HA -0.055 4.416 4.470 0.002 0.000 0.224 90 S C 2.048 176.654 174.600 0.010 0.000 1.029 90 S CA 0.499 58.698 58.200 -0.002 0.000 0.988 90 S CB -0.049 63.146 63.200 -0.008 0.000 0.838 90 S HN 0.170 nan 8.310 nan 0.000 0.462 91 I N 1.620 122.204 120.570 0.024 0.000 2.226 91 I HA -0.168 4.003 4.170 0.002 0.000 0.245 91 I C 2.714 178.848 176.117 0.027 0.000 1.100 91 I CA 1.127 62.443 61.300 0.026 0.000 1.374 91 I CB -0.665 37.351 38.000 0.027 0.000 1.057 91 I HN 0.312 nan 8.210 nan 0.000 0.413 92 A N 0.608 123.449 122.820 0.035 0.000 2.084 92 A HA -0.188 4.134 4.320 0.002 0.000 0.221 92 A C 2.091 179.693 177.584 0.030 0.000 1.161 92 A CA 1.579 53.640 52.037 0.040 0.000 0.653 92 A CB -0.261 18.777 19.000 0.063 0.000 0.802 92 A HN 0.312 nan 8.150 nan 0.000 0.457 93 K N -1.440 118.969 120.400 0.015 0.000 2.358 93 K HA 0.134 4.455 4.320 0.002 0.000 0.200 93 K C -0.141 176.462 176.600 0.006 0.000 1.030 93 K CA 0.339 56.624 56.287 -0.004 0.000 1.097 93 K CB -0.055 32.418 32.500 -0.045 0.000 0.862 93 K HN 0.611 nan 8.250 nan 0.000 0.534 94 N N 0.531 119.242 118.700 0.019 0.000 2.747 94 N HA -0.187 4.555 4.740 0.002 0.000 0.249 94 N C -0.735 174.797 175.510 0.036 0.000 1.107 94 N CA 0.519 53.591 53.050 0.036 0.000 0.707 94 N CB -0.740 37.779 38.487 0.054 0.000 1.054 94 N HN 0.305 nan 8.380 nan 0.000 0.555 95 A N -0.150 122.675 122.820 0.008 0.000 2.252 95 A HA 0.739 5.060 4.320 0.002 0.000 0.309 95 A C 1.096 178.693 177.584 0.022 0.000 1.285 95 A CA 0.194 52.230 52.037 -0.002 0.000 0.900 95 A CB 0.895 19.862 19.000 -0.055 0.000 1.157 95 A HN 0.408 nan 8.150 nan 0.000 0.536 96 A N 2.659 125.508 122.820 0.048 0.000 2.178 96 A HA 0.471 4.792 4.320 0.002 0.000 0.211 96 A C 0.454 178.090 177.584 0.087 0.000 1.157 96 A CA 0.668 52.747 52.037 0.070 0.000 0.780 96 A CB 0.137 19.187 19.000 0.082 0.000 0.828 96 A HN 0.874 nan 8.150 nan 0.000 0.476 97 V N 0.662 120.610 119.914 0.057 0.000 2.668 97 V HA 0.393 4.515 4.120 0.002 0.000 0.304 97 V C -0.988 175.103 176.094 -0.006 0.000 1.071 97 V CA -0.442 61.882 62.300 0.041 0.000 0.894 97 V CB 1.807 33.666 31.823 0.059 0.000 1.008 97 V HN 0.307 nan 8.190 nan 0.000 0.425 98 I N 4.776 125.326 120.570 -0.034 0.000 2.412 98 I HA 0.398 4.569 4.170 0.002 0.000 0.296 98 I C -0.042 176.018 176.117 -0.095 0.000 0.987 98 I CA -0.568 60.684 61.300 -0.079 0.000 1.180 98 I CB 1.778 39.720 38.000 -0.097 0.000 1.340 98 I HN 0.414 nan 8.210 nan 0.000 0.455 99 L N 6.648 127.796 121.223 -0.125 0.000 2.391 99 L HA 0.509 4.851 4.340 0.002 0.000 0.249 99 L C 0.488 177.254 176.870 -0.174 0.000 1.308 99 L CA -0.174 54.578 54.840 -0.147 0.000 1.209 99 L CB -1.047 40.897 42.059 -0.191 0.000 1.401 99 L HN 0.834 nan 8.230 nan 0.000 0.416 100 G N 1.694 110.396 108.800 -0.163 0.000 2.368 100 G HA2 0.345 4.307 3.960 0.002 0.000 0.293 100 G HA3 0.345 4.307 3.960 0.002 0.000 0.293 100 G C -3.324 171.482 174.900 -0.157 0.000 1.467 100 G CA -0.800 44.183 45.100 -0.196 0.000 0.804 100 G HN -0.044 nan 8.290 nan 0.000 0.535 101 P HA 0.343 nan 4.420 nan 0.000 0.272 101 P C -0.080 177.009 177.300 -0.352 0.000 1.230 101 P CA 0.061 63.023 63.100 -0.230 0.000 0.788 101 P CB 0.672 32.333 31.700 -0.064 0.000 0.949 102 T N 0.828 115.083 114.554 -0.499 0.000 2.743 102 T HA 0.325 4.676 4.350 0.002 0.000 0.293 102 T C 0.474 174.823 174.700 -0.586 0.000 0.945 102 T CA 0.082 61.866 62.100 -0.526 0.000 1.030 102 T CB -0.101 68.474 68.868 -0.488 0.000 0.912 102 T HN 0.288 nan 8.240 nan 0.000 0.483 103 T N 3.737 118.050 114.554 -0.401 0.000 3.584 103 T HA 0.267 4.619 4.350 0.002 0.000 0.259 103 T C 0.285 174.940 174.700 -0.075 0.000 1.009 103 T CA -0.599 61.329 62.100 -0.287 0.000 1.103 103 T CB -0.621 68.081 68.868 -0.277 0.000 1.099 103 T HN 0.525 nan 8.240 nan 0.000 0.539 104 N N 1.295 120.002 118.700 0.012 0.000 2.285 104 N HA 0.469 5.211 4.740 0.002 0.000 0.262 104 N C -0.263 175.328 175.510 0.134 0.000 1.299 104 N CA -0.198 52.949 53.050 0.162 0.000 0.930 104 N CB 0.325 38.922 38.487 0.183 0.000 1.157 104 N HN 0.234 nan 8.380 nan 0.000 0.532 105 M N 0.666 120.395 119.600 0.215 0.000 2.393 105 M HA 0.215 4.696 4.480 0.002 0.000 0.299 105 M C -1.163 175.252 176.300 0.192 0.000 1.103 105 M CA -0.648 54.759 55.300 0.178 0.000 0.910 105 M CB 1.723 34.408 32.600 0.142 0.000 1.659 105 M HN 0.351 nan 8.290 nan 0.000 0.445 106 Q N 1.917 121.801 119.800 0.140 0.000 3.184 106 Q HA 0.148 4.489 4.340 0.002 0.000 0.288 106 Q C 1.234 177.303 176.000 0.115 0.000 1.412 106 Q CA -0.035 55.851 55.803 0.138 0.000 0.991 106 Q CB -0.353 28.454 28.738 0.114 0.000 1.688 106 Q HN 0.510 nan 8.270 nan 0.000 0.554 107 R N -0.799 119.797 120.500 0.160 0.000 2.152 107 R HA 0.012 4.353 4.340 0.002 0.000 0.232 107 R C 0.598 176.892 176.300 -0.009 0.000 1.117 107 R CA 1.087 57.240 56.100 0.087 0.000 0.981 107 R CB 0.106 30.451 30.300 0.075 0.000 0.870 107 R HN 0.291 nan 8.270 nan 0.000 0.451 108 G N 0.268 109.030 108.800 -0.064 0.000 2.605 108 G HA2 0.390 4.352 3.960 0.002 0.000 0.296 108 G HA3 0.390 4.352 3.960 0.002 0.000 0.296 108 G C -2.412 172.249 174.900 -0.399 0.000 1.304 108 G CA -1.527 43.332 45.100 -0.403 0.000 0.941 108 G HN -0.149 nan 8.290 nan 0.000 0.475 109 P HA 0.044 nan 4.420 nan 0.000 0.231 109 P C 1.326 178.493 177.300 -0.222 0.000 1.168 109 P CA 0.351 63.308 63.100 -0.238 0.000 0.779 109 P CB 0.458 32.014 31.700 -0.241 0.000 0.844 110 L N -0.634 120.344 121.223 -0.408 0.000 2.599 110 L HA 0.190 4.532 4.340 0.002 0.000 0.230 110 L C 1.311 178.312 176.870 0.219 0.000 1.141 110 L CA -0.220 54.554 54.840 -0.110 0.000 0.877 110 L CB -0.792 41.202 42.059 -0.108 0.000 1.009 110 L HN -0.052 nan 8.230 nan 0.000 0.447 111 G N -0.287 108.690 108.800 0.294 0.000 2.343 111 G HA2 0.235 4.196 3.960 0.002 0.000 0.254 111 G HA3 0.235 4.196 3.960 0.002 0.000 0.254 111 G C 1.186 176.263 174.900 0.294 0.000 1.277 111 G CA 0.170 45.553 45.100 0.472 0.000 0.909 111 G HN 0.311 nan 8.290 nan 0.000 0.502 112 G N 2.251 111.202 108.800 0.252 0.000 2.545 112 G HA2 -0.279 3.683 3.960 0.002 0.000 0.222 112 G HA3 -0.279 3.683 3.960 0.002 0.000 0.222 112 G C 1.462 176.523 174.900 0.268 0.000 1.126 112 G CA 0.566 45.782 45.100 0.192 0.000 0.754 112 G HN 0.633 nan 8.290 nan 0.000 0.583 113 R N 0.099 120.691 120.500 0.153 0.000 2.613 113 R HA 0.231 4.572 4.340 0.002 0.000 0.361 113 R C 2.341 178.546 176.300 -0.158 0.000 1.072 113 R CA 0.230 56.276 56.100 -0.089 0.000 1.089 113 R CB 0.451 30.678 30.300 -0.121 0.000 1.343 113 R HN 0.254 nan 8.270 nan 0.000 0.571 114 G N 1.985 110.840 108.800 0.091 0.000 2.574 114 G HA2 -0.375 3.587 3.960 0.002 0.000 0.220 114 G HA3 -0.375 3.587 3.960 0.002 0.000 0.220 114 G C 1.275 176.210 174.900 0.058 0.000 1.173 114 G CA 1.391 46.554 45.100 0.105 0.000 0.772 114 G HN 0.493 nan 8.290 nan 0.000 0.585 115 F N 0.874 120.908 119.950 0.139 0.000 2.236 115 F HA 0.008 4.536 4.527 0.003 0.000 0.302 115 F C 2.119 177.955 175.800 0.060 0.000 1.073 115 F CA 1.735 59.830 58.000 0.157 0.000 1.336 115 F CB -0.374 38.804 39.000 0.298 0.000 1.040 115 F HN 0.328 nan 8.300 nan 0.000 0.507 116 E N 0.504 120.110 120.200 -0.990 0.000 2.170 116 E HA 0.002 4.353 4.350 0.002 0.000 0.191 116 E C 0.991 177.270 176.600 -0.536 0.000 0.981 116 E CA 0.464 56.349 56.400 -0.859 0.000 0.830 116 E CB 0.135 29.237 29.700 -0.998 0.000 0.775 116 E HN 0.460 nan 8.360 nan 0.000 0.470 117 S N -0.780 114.657 115.700 -0.437 0.000 2.646 117 S HA 0.193 4.665 4.470 0.002 0.000 0.273 117 S C 0.525 174.882 174.600 -0.405 0.000 1.168 117 S CA -0.743 57.173 58.200 -0.473 0.000 1.013 117 S CB 0.280 63.330 63.200 -0.250 0.000 1.098 117 S HN 0.125 nan 8.310 nan 0.000 0.544 118 F N 0.783 120.657 119.950 -0.128 0.000 2.289 118 F HA 0.383 4.912 4.527 0.002 0.000 0.280 118 F C 1.394 177.136 175.800 -0.097 0.000 1.045 118 F CA 0.356 58.270 58.000 -0.144 0.000 1.236 118 F CB -0.304 38.596 39.000 -0.166 0.000 1.116 118 F HN 0.467 nan 8.300 nan 0.000 0.550 119 S N -0.937 114.870 115.700 0.179 0.000 2.552 119 S HA 0.200 4.671 4.470 0.002 0.000 0.272 119 S C 0.165 174.857 174.600 0.153 0.000 1.150 119 S CA -0.467 57.839 58.200 0.177 0.000 0.849 119 S CB 1.010 64.318 63.200 0.180 0.000 1.113 119 S HN 0.410 nan 8.310 nan 0.000 0.458 120 E N 1.149 121.461 120.200 0.187 0.000 2.472 120 E HA -0.053 4.299 4.350 0.002 0.000 0.200 120 E C -0.019 176.606 176.600 0.041 0.000 1.046 120 E CA 0.600 57.068 56.400 0.114 0.000 0.871 120 E CB -0.171 29.625 29.700 0.160 0.000 0.806 120 E HN 0.511 nan 8.360 nan 0.000 0.533 121 D N 1.046 121.492 120.400 0.076 0.000 2.232 121 D HA 0.112 4.753 4.640 0.002 0.000 0.242 121 D C -1.737 174.604 176.300 0.069 0.000 1.093 121 D CA -2.704 51.321 54.000 0.042 0.000 0.845 121 D CB 1.692 42.502 40.800 0.018 0.000 1.124 121 D HN -0.255 nan 8.370 nan 0.000 0.467 122 P HA -0.134 nan 4.420 nan 0.000 0.218 122 P C 0.815 178.174 177.300 0.099 0.000 1.149 122 P CA 0.854 63.992 63.100 0.064 0.000 0.817 122 P CB 0.019 31.764 31.700 0.075 0.000 0.785 123 Y N 0.382 120.724 120.300 0.069 0.000 2.184 123 Y HA -0.108 4.444 4.550 0.002 0.000 0.290 123 Y C 2.270 178.227 175.900 0.094 0.000 1.129 123 Y CA 1.012 59.168 58.100 0.093 0.000 1.144 123 Y CB -1.012 37.530 38.460 0.137 0.000 0.995 123 Y HN -0.257 nan 8.280 nan 0.000 0.513 124 L N 0.707 122.014 121.223 0.140 0.000 2.012 124 L HA -0.154 4.187 4.340 0.002 0.000 0.210 124 L C 2.365 179.105 176.870 -0.217 0.000 1.073 124 L CA 2.359 57.140 54.840 -0.098 0.000 0.748 124 L CB -1.271 40.692 42.059 -0.160 0.000 0.891 124 L HN 0.251 nan 8.230 nan 0.000 0.431 125 A N -0.822 121.936 122.820 -0.103 0.000 1.969 125 A HA 0.010 4.332 4.320 0.002 0.000 0.218 125 A C 2.294 179.798 177.584 -0.133 0.000 1.169 125 A CA 1.319 53.324 52.037 -0.052 0.000 0.635 125 A CB -1.421 17.624 19.000 0.074 0.000 0.810 125 A HN 0.549 nan 8.150 nan 0.000 0.445 126 G N -0.748 107.945 108.800 -0.178 0.000 2.404 126 G HA2 -0.139 3.822 3.960 0.002 0.000 0.215 126 G HA3 -0.139 3.822 3.960 0.002 0.000 0.215 126 G C 1.509 176.236 174.900 -0.288 0.000 1.174 126 G CA 1.125 46.096 45.100 -0.213 0.000 0.780 126 G HN 0.352 nan 8.290 nan 0.000 0.537 127 M N 1.122 120.487 119.600 -0.392 0.000 2.200 127 M HA 0.134 4.616 4.480 0.002 0.000 0.265 127 M C 2.977 179.070 176.300 -0.344 0.000 1.066 127 M CA 1.158 56.238 55.300 -0.367 0.000 1.127 127 M CB -1.129 31.232 32.600 -0.398 0.000 1.379 127 M HN 0.307 nan 8.290 nan 0.000 0.420 128 A N 0.581 123.102 122.820 -0.498 0.000 1.858 128 A HA -0.142 4.179 4.320 0.002 0.000 0.216 128 A C 2.342 179.461 177.584 -0.774 0.000 1.190 128 A CA 2.386 53.919 52.037 -0.839 0.000 0.617 128 A CB -1.237 16.815 19.000 -1.580 0.000 0.827 128 A HN 0.449 nan 8.150 nan 0.000 0.443 129 T N -0.250 113.946 114.554 -0.596 0.000 2.570 129 T HA -0.231 4.121 4.350 0.002 0.000 0.266 129 T C 2.251 176.865 174.700 -0.143 0.000 1.071 129 T CA 2.102 64.138 62.100 -0.108 0.000 1.172 129 T CB -0.638 68.205 68.868 -0.042 0.000 0.864 129 T HN 0.504 nan 8.240 nan 0.000 0.421 130 S N 0.279 115.876 115.700 -0.170 0.000 2.374 130 S HA -0.164 4.307 4.470 0.002 0.000 0.227 130 S C 2.385 176.912 174.600 -0.120 0.000 1.037 130 S CA 1.781 59.908 58.200 -0.121 0.000 1.024 130 S CB -0.529 62.608 63.200 -0.105 0.000 0.861 130 S HN 0.470 nan 8.310 nan 0.000 0.456 131 S N 0.388 115.988 115.700 -0.167 0.000 2.345 131 S HA -0.042 4.430 4.470 0.002 0.000 0.220 131 S C 1.925 176.460 174.600 -0.107 0.000 1.031 131 S CA 1.316 59.432 58.200 -0.140 0.000 0.996 131 S CB -0.493 62.607 63.200 -0.166 0.000 0.882 131 S HN 0.409 nan 8.310 nan 0.000 0.445 132 V N 1.667 121.507 119.914 -0.123 0.000 2.392 132 V HA -0.140 3.981 4.120 0.002 0.000 0.249 132 V C 2.254 178.313 176.094 -0.058 0.000 1.059 132 V CA 1.389 63.645 62.300 -0.074 0.000 1.051 132 V CB -0.695 31.115 31.823 -0.022 0.000 0.658 132 V HN 0.313 nan 8.190 nan 0.000 0.455 133 V N -0.464 119.415 119.914 -0.058 0.000 2.323 133 V HA -0.235 3.886 4.120 0.002 0.000 0.244 133 V C 2.404 178.481 176.094 -0.029 0.000 1.041 133 V CA 1.910 64.182 62.300 -0.046 0.000 1.025 133 V CB -0.657 31.135 31.823 -0.050 0.000 0.656 133 V HN 0.518 nan 8.190 nan 0.000 0.451 134 K N 0.371 120.752 120.400 -0.032 0.000 2.074 134 K HA -0.192 4.130 4.320 0.002 0.000 0.209 134 K C 2.221 178.819 176.600 -0.003 0.000 1.048 134 K CA 1.711 57.989 56.287 -0.014 0.000 0.926 134 K CB -0.740 31.743 32.500 -0.028 0.000 0.713 134 K HN 0.567 nan 8.250 nan 0.000 0.444 135 G N 0.999 109.790 108.800 -0.014 0.000 2.418 135 G HA2 -0.257 3.704 3.960 0.002 0.000 0.217 135 G HA3 -0.257 3.704 3.960 0.002 0.000 0.217 135 G C 1.482 176.389 174.900 0.011 0.000 1.158 135 G CA 0.805 45.904 45.100 -0.002 0.000 0.771 135 G HN 0.141 nan 8.290 nan 0.000 0.545 136 M N 0.024 119.625 119.600 0.001 0.000 2.117 136 M HA -0.075 4.406 4.480 0.002 0.000 0.262 136 M C 2.612 178.948 176.300 0.059 0.000 1.065 136 M CA 1.398 56.705 55.300 0.012 0.000 1.114 136 M CB -0.094 32.498 32.600 -0.015 0.000 1.361 136 M HN 0.259 nan 8.290 nan 0.000 0.408 137 Q N -1.114 118.729 119.800 0.071 0.000 2.360 137 Q HA 0.095 4.436 4.340 0.002 0.000 0.202 137 Q C 1.849 177.946 176.000 0.161 0.000 0.915 137 Q CA 0.506 56.407 55.803 0.163 0.000 0.943 137 Q CB 0.168 28.982 28.738 0.126 0.000 1.064 137 Q HN 0.595 nan 8.270 nan 0.000 0.511 138 G N 1.186 110.038 108.800 0.086 0.000 2.430 138 G HA2 -0.159 3.803 3.960 0.002 0.000 0.216 138 G HA3 -0.159 3.803 3.960 0.002 0.000 0.216 138 G C 1.220 176.147 174.900 0.045 0.000 1.146 138 G CA 0.165 45.300 45.100 0.058 0.000 0.793 138 G HN 0.125 nan 8.290 nan 0.000 0.537 139 E N 0.548 120.778 120.200 0.049 0.000 2.502 139 E HA 0.137 4.488 4.350 0.002 0.000 0.194 139 E C 1.852 178.472 176.600 0.034 0.000 1.062 139 E CA 0.421 56.842 56.400 0.035 0.000 0.867 139 E CB -0.343 29.380 29.700 0.037 0.000 0.888 139 E HN 0.412 nan 8.360 nan 0.000 0.510 140 G N 1.258 110.096 108.800 0.063 0.000 2.155 140 G HA2 -0.260 3.701 3.960 0.002 0.000 0.257 140 G HA3 -0.260 3.701 3.960 0.002 0.000 0.257 140 G C 0.312 175.292 174.900 0.133 0.000 0.983 140 G CA 0.087 45.197 45.100 0.017 0.000 0.676 140 G HN 0.246 nan 8.290 nan 0.000 0.528 141 I N 1.246 121.924 120.570 0.180 0.000 2.396 141 I HA 0.565 4.737 4.170 0.002 0.000 0.292 141 I C 0.973 177.237 176.117 0.247 0.000 0.999 141 I CA -0.360 61.055 61.300 0.191 0.000 1.310 141 I CB 1.328 39.379 38.000 0.086 0.000 1.404 141 I HN 0.290 nan 8.210 nan 0.000 0.496 142 A N 5.494 128.450 122.820 0.226 0.000 2.363 142 A HA 0.688 5.010 4.320 0.002 0.000 0.270 142 A C 0.233 177.791 177.584 -0.042 0.000 1.121 142 A CA -0.388 51.638 52.037 -0.019 0.000 0.800 142 A CB 0.600 19.544 19.000 -0.094 0.000 1.052 142 A HN 0.848 nan 8.150 nan 0.000 0.493 143 A N 1.660 124.428 122.820 -0.087 0.000 2.279 143 A HA 0.730 5.051 4.320 0.002 0.000 0.303 143 A C 0.185 177.739 177.584 -0.050 0.000 1.108 143 A CA -0.317 51.681 52.037 -0.067 0.000 0.830 143 A CB 0.505 19.466 19.000 -0.065 0.000 1.106 143 A HN 0.857 nan 8.150 nan 0.000 0.493 144 T N 1.471 115.992 114.554 -0.055 0.000 3.009 144 T HA 0.413 4.764 4.350 0.002 0.000 0.346 144 T C -0.500 174.163 174.700 -0.062 0.000 1.092 144 T CA -0.316 61.764 62.100 -0.033 0.000 1.080 144 T CB 0.590 69.434 68.868 -0.041 0.000 1.037 144 T HN 0.445 nan 8.240 nan 0.000 0.487 145 V N 4.972 124.861 119.914 -0.042 0.000 2.614 145 V HA 0.485 4.606 4.120 0.002 0.000 0.291 145 V C 0.416 176.551 176.094 0.069 0.000 1.049 145 V CA -0.244 62.017 62.300 -0.065 0.000 1.038 145 V CB 0.431 32.193 31.823 -0.102 0.000 0.980 145 V HN 0.869 nan 8.190 nan 0.000 0.481 146 K N 3.188 123.563 120.400 -0.042 0.000 2.533 146 K HA 0.616 4.937 4.320 0.002 0.000 0.272 146 K C -1.579 174.951 176.600 -0.117 0.000 0.985 146 K CA -1.061 55.197 56.287 -0.049 0.000 0.876 146 K CB 1.933 34.201 32.500 -0.386 0.000 1.452 146 K HN 0.659 nan 8.250 nan 0.000 0.439 147 H N 0.461 119.691 119.070 0.266 0.000 2.476 147 H HA 0.325 4.882 4.556 0.002 0.000 0.328 147 H C -1.531 173.934 175.328 0.228 0.000 1.073 147 H CA -0.559 55.603 56.048 0.190 0.000 1.229 147 H CB 1.087 30.868 29.762 0.031 0.000 1.432 147 H HN 0.419 nan 8.280 nan 0.000 0.477 148 F N 4.742 124.669 119.950 -0.037 0.000 2.405 148 F HA 0.430 4.959 4.527 0.002 0.000 0.358 148 F C -0.613 175.061 175.800 -0.211 0.000 1.151 148 F CA -0.226 57.517 58.000 -0.427 0.000 1.161 148 F CB -0.080 38.558 39.000 -0.603 0.000 1.245 148 F HN 0.334 nan 8.300 nan 0.000 0.545 149 V N 4.587 124.278 119.914 -0.372 0.000 3.264 149 V HA 0.316 4.438 4.120 0.002 0.000 0.294 149 V C -0.367 175.615 176.094 -0.186 0.000 1.429 149 V CA -0.863 61.218 62.300 -0.366 0.000 1.053 149 V CB 1.866 33.178 31.823 -0.851 0.000 1.128 149 V HN 0.796 nan 8.190 nan 0.000 0.452 150 C N 2.619 121.895 119.300 -0.041 0.000 4.456 150 C HA -0.104 4.357 4.460 0.002 0.000 0.288 150 C C 0.800 175.797 174.990 0.011 0.000 1.374 150 C CA 0.869 59.847 59.018 -0.066 0.000 1.956 150 C CB -2.717 24.833 27.740 -0.317 0.000 1.255 150 C HN 1.030 nan 8.230 nan 0.000 0.788 151 N N 1.344 120.083 118.700 0.065 0.000 3.050 151 N HA 0.165 4.906 4.740 0.002 0.000 0.289 151 N C 0.529 176.092 175.510 0.088 0.000 1.209 151 N CA 0.231 53.319 53.050 0.062 0.000 1.154 151 N CB 0.061 38.587 38.487 0.065 0.000 1.444 151 N HN 0.499 nan 8.380 nan 0.000 0.529 152 D N 0.892 121.327 120.400 0.058 0.000 2.433 152 D HA 0.129 4.770 4.640 0.002 0.000 0.211 152 D C 0.061 176.323 176.300 -0.063 0.000 1.114 152 D CA 0.080 54.120 54.000 0.068 0.000 0.837 152 D CB 0.559 41.423 40.800 0.106 0.000 0.984 152 D HN 0.420 nan 8.370 nan 0.000 0.505 153 L N -2.914 118.201 121.223 -0.181 0.000 2.502 153 L HA 0.584 4.925 4.340 0.002 0.000 0.253 153 L C 0.478 177.287 176.870 -0.102 0.000 1.070 153 L CA -0.724 53.944 54.840 -0.288 0.000 0.871 153 L CB 1.344 42.925 42.059 -0.798 0.000 1.487 153 L HN -0.486 nan 8.230 nan 0.000 0.408 154 E N -0.632 119.545 120.200 -0.038 0.000 2.340 154 E HA 0.054 4.405 4.350 0.002 0.000 0.198 154 E C -0.422 176.203 176.600 0.040 0.000 0.961 154 E CA 0.388 56.807 56.400 0.032 0.000 0.905 154 E CB 0.115 29.866 29.700 0.086 0.000 0.884 154 E HN 0.838 nan 8.360 nan 0.000 0.491 155 D N 2.000 122.410 120.400 0.017 0.000 2.554 155 D HA -0.117 4.525 4.640 0.002 0.000 0.251 155 D C -0.162 176.148 176.300 0.017 0.000 1.213 155 D CA 0.763 54.779 54.000 0.026 0.000 0.900 155 D CB 0.022 40.810 40.800 -0.021 0.000 1.135 155 D HN 0.001 nan 8.370 nan 0.000 0.522 156 Q N 1.163 120.995 119.800 0.054 0.000 2.494 156 Q HA -0.312 4.029 4.340 0.002 0.000 0.272 156 Q C 1.143 177.201 176.000 0.097 0.000 1.145 156 Q CA 0.966 56.806 55.803 0.062 0.000 0.943 156 Q CB -0.834 27.914 28.738 0.017 0.000 1.338 156 Q HN 0.751 nan 8.270 nan 0.000 0.492 157 R N -0.952 119.615 120.500 0.113 0.000 2.241 157 R HA -0.112 4.229 4.340 0.002 0.000 0.224 157 R C 1.156 177.520 176.300 0.107 0.000 1.101 157 R CA 1.567 57.711 56.100 0.073 0.000 0.995 157 R CB -0.309 30.006 30.300 0.024 0.000 0.870 157 R HN 0.319 nan 8.270 nan 0.000 0.463 158 F N 1.606 121.542 119.950 -0.023 0.000 2.407 158 F HA -0.077 4.452 4.527 0.003 0.000 0.299 158 F C 2.469 178.349 175.800 0.133 0.000 1.097 158 F CA 1.355 59.408 58.000 0.089 0.000 1.422 158 F CB 0.283 39.315 39.000 0.053 0.000 1.067 158 F HN 0.250 nan 8.300 nan 0.000 0.539 159 S N -2.511 113.320 115.700 0.219 0.000 2.554 159 S HA 0.095 4.567 4.470 0.002 0.000 0.227 159 S C 0.848 175.425 174.600 -0.039 0.000 1.050 159 S CA -0.289 57.955 58.200 0.073 0.000 0.927 159 S CB -0.409 62.830 63.200 0.065 0.000 0.859 159 S HN 0.018 nan 8.310 nan 0.000 0.494 160 S N 3.122 118.817 115.700 -0.009 0.000 2.626 160 S HA 0.147 4.619 4.470 0.002 0.000 0.303 160 S C -0.192 174.350 174.600 -0.098 0.000 1.256 160 S CA -0.162 58.008 58.200 -0.048 0.000 1.069 160 S CB -0.459 62.720 63.200 -0.035 0.000 0.807 160 S HN 0.564 nan 8.310 nan 0.000 0.500 161 N N 3.658 122.291 118.700 -0.111 0.000 2.546 161 N HA 0.226 4.968 4.740 0.002 0.000 0.238 161 N C -1.078 174.342 175.510 -0.149 0.000 0.984 161 N CA -0.272 52.686 53.050 -0.154 0.000 0.935 161 N CB 0.814 39.212 38.487 -0.148 0.000 1.122 161 N HN 0.374 nan 8.380 nan 0.000 0.510 162 S N 4.018 119.596 115.700 -0.204 0.000 2.443 162 S HA 0.281 4.753 4.470 0.002 0.000 0.284 162 S C 0.460 174.778 174.600 -0.470 0.000 1.206 162 S CA -0.315 57.683 58.200 -0.338 0.000 1.074 162 S CB -0.174 62.756 63.200 -0.450 0.000 0.963 162 S HN 0.464 nan 8.310 nan 0.000 0.501 163 I N 4.221 124.549 120.570 -0.403 0.000 2.328 163 I HA 0.511 4.683 4.170 0.002 0.000 0.287 163 I C -0.346 175.550 176.117 -0.369 0.000 1.012 163 I CA -0.512 60.606 61.300 -0.303 0.000 1.195 163 I CB 1.299 39.216 38.000 -0.138 0.000 1.350 163 I HN 0.297 nan 8.210 nan 0.000 0.464 164 V N 5.879 125.571 119.914 -0.372 0.000 2.924 164 V HA 0.397 4.519 4.120 0.002 0.000 0.300 164 V C -0.047 175.932 176.094 -0.191 0.000 1.227 164 V CA -0.406 61.689 62.300 -0.343 0.000 0.954 164 V CB 2.542 33.930 31.823 -0.725 0.000 1.055 164 V HN 0.838 nan 8.190 nan 0.000 0.429 165 S N 3.513 119.164 115.700 -0.081 0.000 2.576 165 S HA 0.181 4.652 4.470 0.002 0.000 0.272 165 S C 0.950 175.499 174.600 -0.085 0.000 1.352 165 S CA 0.813 58.980 58.200 -0.056 0.000 1.021 165 S CB 1.182 64.383 63.200 0.002 0.000 0.887 165 S HN 1.034 nan 8.310 nan 0.000 0.542 166 E N 1.098 121.245 120.200 -0.087 0.000 2.118 166 E HA -0.174 4.177 4.350 0.002 0.000 0.195 166 E C 2.168 178.650 176.600 -0.197 0.000 0.992 166 E CA 1.576 57.883 56.400 -0.153 0.000 0.804 166 E CB -0.213 29.436 29.700 -0.085 0.000 0.741 166 E HN 0.738 nan 8.360 nan 0.000 0.458 167 R N -0.428 120.047 120.500 -0.041 0.000 2.073 167 R HA -0.105 4.236 4.340 0.002 0.000 0.234 167 R C 2.161 178.437 176.300 -0.040 0.000 1.134 167 R CA 1.418 57.511 56.100 -0.012 0.000 0.952 167 R CB -0.374 29.985 30.300 0.099 0.000 0.850 167 R HN 0.244 nan 8.270 nan 0.000 0.433 168 A N 1.155 123.988 122.820 0.022 0.000 1.902 168 A HA -0.160 4.162 4.320 0.002 0.000 0.217 168 A C 2.043 179.750 177.584 0.206 0.000 1.181 168 A CA 1.106 53.215 52.037 0.121 0.000 0.623 168 A CB -0.602 18.532 19.000 0.223 0.000 0.818 168 A HN 0.373 nan 8.150 nan 0.000 0.443 169 L N -0.159 121.117 121.223 0.088 0.000 1.990 169 L HA -0.213 4.128 4.340 0.002 0.000 0.213 169 L C 2.517 179.404 176.870 0.028 0.000 1.072 169 L CA 2.043 56.920 54.840 0.061 0.000 0.755 169 L CB -0.472 41.500 42.059 -0.146 0.000 0.889 169 L HN 0.270 nan 8.230 nan 0.000 0.432 170 R N -0.265 120.118 120.500 -0.196 0.000 2.066 170 R HA -0.109 4.232 4.340 0.002 0.000 0.232 170 R C 2.230 178.579 176.300 0.082 0.000 1.131 170 R CA 1.813 57.769 56.100 -0.241 0.000 0.955 170 R CB -0.600 29.068 30.300 -1.053 0.000 0.851 170 R HN 0.585 nan 8.270 nan 0.000 0.432 171 E N -0.253 119.979 120.200 0.052 0.000 2.086 171 E HA -0.002 4.350 4.350 0.002 0.000 0.190 171 E C 1.880 178.543 176.600 0.106 0.000 0.975 171 E CA 0.549 57.070 56.400 0.202 0.000 0.813 171 E CB 0.214 30.002 29.700 0.147 0.000 0.768 171 E HN 0.123 nan 8.360 nan 0.000 0.457 172 I N -0.502 120.041 120.570 -0.046 0.000 2.512 172 I HA -0.079 4.092 4.170 0.002 0.000 0.247 172 I C 1.775 177.678 176.117 -0.356 0.000 1.094 172 I CA 1.236 62.346 61.300 -0.317 0.000 1.427 172 I CB -1.017 36.562 38.000 -0.701 0.000 1.149 172 I HN 0.096 nan 8.210 nan 0.000 0.438 173 Y N 0.657 121.044 120.300 0.146 0.000 2.301 173 Y HA 0.160 4.712 4.550 0.002 0.000 0.295 173 Y C 2.513 178.578 175.900 0.274 0.000 1.126 173 Y CA 0.494 58.702 58.100 0.180 0.000 1.154 173 Y CB -0.571 37.959 38.460 0.118 0.000 1.075 173 Y HN -0.108 nan 8.280 nan 0.000 0.534 174 L N 0.045 121.491 121.223 0.370 0.000 2.201 174 L HA -0.153 4.189 4.340 0.002 0.000 0.212 174 L C 2.362 179.548 176.870 0.527 0.000 1.105 174 L CA 1.159 56.282 54.840 0.473 0.000 0.775 174 L CB -0.224 42.066 42.059 0.386 0.000 0.913 174 L HN 0.192 nan 8.230 nan 0.000 0.440 175 E N 0.721 121.126 120.200 0.342 0.000 2.058 175 E HA -0.177 4.175 4.350 0.002 0.000 0.194 175 E C -0.672 176.008 176.600 0.134 0.000 0.997 175 E CA 1.602 58.144 56.400 0.236 0.000 0.801 175 E CB -1.073 28.751 29.700 0.207 0.000 0.746 175 E HN 0.266 nan 8.360 nan 0.000 0.450 176 P HA -0.100 nan 4.420 nan 0.000 0.218 176 P C 1.083 178.320 177.300 -0.106 0.000 1.149 176 P CA 1.115 64.194 63.100 -0.034 0.000 0.817 176 P CB -0.214 31.439 31.700 -0.079 0.000 0.785 177 F N 0.355 120.347 119.950 0.070 0.000 2.134 177 F HA -0.083 4.446 4.527 0.002 0.000 0.299 177 F C 2.890 178.583 175.800 -0.180 0.000 1.097 177 F CA 1.311 59.332 58.000 0.035 0.000 1.264 177 F CB -0.825 38.349 39.000 0.291 0.000 1.001 177 F HN -0.196 nan 8.300 nan 0.000 0.479 178 R N 0.598 121.022 120.500 -0.125 0.000 2.096 178 R HA -0.158 4.184 4.340 0.002 0.000 0.235 178 R C 2.100 178.110 176.300 -0.483 0.000 1.127 178 R CA 1.329 56.965 56.100 -0.775 0.000 0.968 178 R CB -0.422 29.491 30.300 -0.646 0.000 0.861 178 R HN 0.326 nan 8.270 nan 0.000 0.440 179 L N -0.238 120.831 121.223 -0.256 0.000 2.072 179 L HA -0.066 4.275 4.340 0.002 0.000 0.205 179 L C 2.680 179.443 176.870 -0.178 0.000 1.079 179 L CA 1.160 55.882 54.840 -0.198 0.000 0.752 179 L CB -0.492 41.498 42.059 -0.115 0.000 0.906 179 L HN 0.270 nan 8.230 nan 0.000 0.436 180 A N -0.396 122.321 122.820 -0.171 0.000 1.933 180 A HA -0.150 4.171 4.320 0.002 0.000 0.218 180 A C 2.320 179.815 177.584 -0.148 0.000 1.175 180 A CA 1.761 53.711 52.037 -0.144 0.000 0.628 180 A CB -0.774 18.126 19.000 -0.166 0.000 0.814 180 A HN 0.204 nan 8.150 nan 0.000 0.444 181 V N 0.016 119.800 119.914 -0.216 0.000 2.453 181 V HA -0.223 3.899 4.120 0.002 0.000 0.247 181 V C 2.508 178.515 176.094 -0.144 0.000 1.048 181 V CA 2.267 64.466 62.300 -0.168 0.000 1.049 181 V CB -0.565 31.122 31.823 -0.226 0.000 0.672 181 V HN 0.696 nan 8.190 nan 0.000 0.457 182 K N -0.934 119.281 120.400 -0.308 0.000 2.057 182 K HA -0.191 4.130 4.320 0.002 0.000 0.207 182 K C 2.124 178.485 176.600 -0.399 0.000 1.049 182 K CA 1.667 57.706 56.287 -0.414 0.000 0.931 182 K CB -0.076 32.038 32.500 -0.644 0.000 0.714 182 K HN 0.553 nan 8.250 nan 0.000 0.440 183 H N -1.995 117.008 119.070 -0.112 0.000 2.557 183 H HA 0.222 4.780 4.556 0.003 0.000 0.281 183 H C 1.264 176.551 175.328 -0.069 0.000 0.990 183 H CA 1.025 57.016 56.048 -0.096 0.000 1.278 183 H CB 0.861 30.549 29.762 -0.125 0.000 1.451 183 H HN 0.310 nan 8.280 nan 0.000 0.516 184 A N 0.598 123.440 122.820 0.036 0.000 2.259 184 A HA 0.041 4.362 4.320 0.002 0.000 0.213 184 A C 0.726 178.329 177.584 0.031 0.000 1.209 184 A CA 0.333 52.382 52.037 0.020 0.000 0.910 184 A CB 0.089 19.083 19.000 -0.011 0.000 0.946 184 A HN 0.338 nan 8.150 nan 0.000 0.497 185 N N 0.376 119.109 118.700 0.056 0.000 2.669 185 N HA -0.105 4.636 4.740 0.002 0.000 0.266 185 N C -2.609 173.011 175.510 0.183 0.000 1.024 185 N CA 0.711 53.859 53.050 0.163 0.000 0.766 185 N CB -0.864 37.700 38.487 0.129 0.000 0.898 185 N HN 0.304 nan 8.380 nan 0.000 0.548 186 P HA -0.029 nan 4.420 nan 0.000 0.266 186 P C 1.197 178.639 177.300 0.237 0.000 1.195 186 P CA -0.291 62.880 63.100 0.118 0.000 0.768 186 P CB 0.733 32.465 31.700 0.054 0.000 0.838 187 V N 1.860 121.743 119.914 -0.052 0.000 2.332 187 V HA -0.197 3.924 4.120 0.002 0.000 0.248 187 V C 1.213 177.343 176.094 0.059 0.000 1.055 187 V CA 1.791 63.979 62.300 -0.186 0.000 1.038 187 V CB -0.399 31.072 31.823 -0.586 0.000 0.651 187 V HN 0.641 nan 8.190 nan 0.000 0.450 188 C N -1.185 118.216 119.300 0.168 0.000 2.848 188 C HA 0.726 5.188 4.460 0.002 0.000 0.317 188 C C -0.204 174.943 174.990 0.261 0.000 1.260 188 C CA -1.043 58.139 59.018 0.274 0.000 1.656 188 C CB 1.652 29.457 27.740 0.108 0.000 2.174 188 C HN 0.281 nan 8.230 nan 0.000 0.479 189 I N 1.465 122.173 120.570 0.230 0.000 2.730 189 I HA 0.486 4.657 4.170 0.002 0.000 0.298 189 I C -0.538 175.609 176.117 0.050 0.000 1.089 189 I CA -0.466 60.835 61.300 0.001 0.000 1.041 189 I CB 1.761 39.531 38.000 -0.383 0.000 1.235 189 I HN 0.569 nan 8.210 nan 0.000 0.423 190 M N 4.710 124.347 119.600 0.060 0.000 2.227 190 M HA 0.394 4.875 4.480 0.002 0.000 0.335 190 M C -0.315 176.057 176.300 0.120 0.000 1.053 190 M CA -0.461 54.893 55.300 0.090 0.000 0.973 190 M CB 1.574 34.231 32.600 0.095 0.000 1.623 190 M HN 0.749 nan 8.290 nan 0.000 0.434 191 T N 2.284 116.893 114.554 0.092 0.000 2.913 191 T HA 0.653 5.005 4.350 0.002 0.000 0.297 191 T C 0.281 174.994 174.700 0.023 0.000 1.029 191 T CA -0.832 61.325 62.100 0.094 0.000 1.104 191 T CB 1.046 69.958 68.868 0.073 0.000 0.964 191 T HN 0.756 nan 8.240 nan 0.000 0.532 192 A N 1.672 124.502 122.820 0.016 0.000 2.296 192 A HA 0.498 4.819 4.320 0.002 0.000 0.264 192 A C 0.612 178.140 177.584 -0.094 0.000 1.097 192 A CA -0.712 51.292 52.037 -0.056 0.000 0.811 192 A CB -0.181 18.814 19.000 -0.008 0.000 1.072 192 A HN 0.935 nan 8.150 nan 0.000 0.495 193 Y N 0.607 120.829 120.300 -0.130 0.000 2.373 193 Y HA -0.086 4.466 4.550 0.002 0.000 0.293 193 Y C 1.692 177.605 175.900 0.021 0.000 1.129 193 Y CA 1.191 59.203 58.100 -0.145 0.000 1.226 193 Y CB -0.215 37.968 38.460 -0.461 0.000 1.000 193 Y HN 0.764 nan 8.280 nan 0.000 0.549 194 N N 0.879 119.662 118.700 0.139 0.000 2.405 194 N HA 0.114 4.856 4.740 0.002 0.000 0.269 194 N C -0.660 174.861 175.510 0.018 0.000 1.249 194 N CA -0.442 52.650 53.050 0.071 0.000 0.974 194 N CB 0.994 39.477 38.487 -0.006 0.000 1.204 194 N HN 0.042 nan 8.380 nan 0.000 0.565 195 K N -0.326 119.990 120.400 -0.141 0.000 2.098 195 K HA 0.481 4.802 4.320 0.002 0.000 0.258 195 K C -0.860 175.606 176.600 -0.224 0.000 0.973 195 K CA -0.854 55.291 56.287 -0.237 0.000 0.898 195 K CB 1.767 34.047 32.500 -0.367 0.000 1.057 195 K HN 0.230 nan 8.250 nan 0.000 0.447 196 V N 3.411 123.182 119.914 -0.239 0.000 2.407 196 V HA 0.097 4.218 4.120 0.002 0.000 0.291 196 V C -0.348 175.595 176.094 -0.252 0.000 1.018 196 V CA -0.888 61.242 62.300 -0.283 0.000 0.842 196 V CB 1.040 32.677 31.823 -0.310 0.000 0.996 196 V HN 0.832 nan 8.190 nan 0.000 0.426 197 N N 4.638 123.184 118.700 -0.255 0.000 2.714 197 N HA -0.230 4.511 4.740 0.002 0.000 0.252 197 N C 1.137 176.543 175.510 -0.174 0.000 1.014 197 N CA 1.422 54.350 53.050 -0.203 0.000 0.735 197 N CB -0.894 37.480 38.487 -0.190 0.000 0.924 197 N HN 1.454 nan 8.380 nan 0.000 0.540 198 G N -1.392 107.296 108.800 -0.187 0.000 2.213 198 G HA2 -0.308 3.653 3.960 0.002 0.000 0.236 198 G HA3 -0.308 3.653 3.960 0.002 0.000 0.236 198 G C -0.190 174.588 174.900 -0.203 0.000 0.991 198 G CA 0.519 45.512 45.100 -0.178 0.000 0.629 198 G HN 0.620 nan 8.290 nan 0.000 0.517 199 E N 0.376 120.454 120.200 -0.203 0.000 2.210 199 E HA 0.618 4.970 4.350 0.002 0.000 0.266 199 E C -0.145 176.344 176.600 -0.184 0.000 0.883 199 E CA -0.860 55.432 56.400 -0.179 0.000 0.761 199 E CB 0.517 30.144 29.700 -0.122 0.000 1.156 199 E HN 0.412 nan 8.360 nan 0.000 0.412 200 H N 3.175 122.147 119.070 -0.162 0.000 3.070 200 H HA -0.020 4.538 4.556 0.003 0.000 0.313 200 H C 0.884 176.157 175.328 -0.091 0.000 0.997 200 H CA 0.091 56.038 56.048 -0.168 0.000 1.438 200 H CB 0.585 30.212 29.762 -0.224 0.000 1.455 200 H HN 0.689 nan 8.280 nan 0.000 0.575 201 C N 1.778 121.111 119.300 0.054 0.000 2.391 201 C HA -0.237 4.224 4.460 0.002 0.000 0.276 201 C C 2.694 177.710 174.990 0.043 0.000 1.217 201 C CA 1.784 60.794 59.018 -0.013 0.000 1.766 201 C CB -0.974 26.734 27.740 -0.052 0.000 2.046 201 C HN 0.952 nan 8.230 nan 0.000 0.475 202 S N 0.783 116.545 115.700 0.104 0.000 2.603 202 S HA -0.117 4.355 4.470 0.002 0.000 0.229 202 S C 1.161 175.789 174.600 0.047 0.000 0.972 202 S CA 0.978 59.220 58.200 0.069 0.000 0.935 202 S CB -0.565 62.660 63.200 0.043 0.000 0.769 202 S HN 0.937 nan 8.310 nan 0.000 0.536 203 Q N 0.261 120.096 119.800 0.058 0.000 2.063 203 Q HA 0.331 4.673 4.340 0.002 0.000 0.245 203 Q C -0.301 175.702 176.000 0.006 0.000 0.828 203 Q CA -0.279 55.539 55.803 0.025 0.000 1.089 203 Q CB 0.161 28.910 28.738 0.019 0.000 1.232 203 Q HN 0.266 nan 8.270 nan 0.000 0.445 204 S N 1.265 116.963 115.700 -0.005 0.000 2.399 204 S HA 0.173 4.644 4.470 0.002 0.000 0.301 204 S C 0.849 175.429 174.600 -0.032 0.000 1.093 204 S CA -0.435 57.743 58.200 -0.037 0.000 1.077 204 S CB 1.222 64.376 63.200 -0.077 0.000 0.980 204 S HN 0.494 nan 8.310 nan 0.000 0.494 205 K N 4.766 125.146 120.400 -0.032 0.000 2.113 205 K HA -0.168 4.153 4.320 0.002 0.000 0.208 205 K C 2.061 178.635 176.600 -0.044 0.000 1.047 205 K CA 1.488 57.758 56.287 -0.028 0.000 0.928 205 K CB -0.142 32.342 32.500 -0.027 0.000 0.716 205 K HN 0.672 nan 8.250 nan 0.000 0.446 206 K N 0.779 121.140 120.400 -0.066 0.000 2.009 206 K HA -0.170 4.151 4.320 0.002 0.000 0.210 206 K C 2.118 178.652 176.600 -0.110 0.000 1.049 206 K CA 1.670 57.903 56.287 -0.091 0.000 0.929 206 K CB -0.148 32.285 32.500 -0.111 0.000 0.714 206 K HN 0.208 nan 8.250 nan 0.000 0.440 207 L N 0.746 121.903 121.223 -0.109 0.000 2.023 207 L HA -0.136 4.206 4.340 0.002 0.000 0.205 207 L C 2.484 179.386 176.870 0.053 0.000 1.073 207 L CA 0.909 55.699 54.840 -0.084 0.000 0.745 207 L CB -0.316 41.639 42.059 -0.174 0.000 0.900 207 L HN 0.212 nan 8.230 nan 0.000 0.435 208 L N -1.042 120.211 121.223 0.049 0.000 2.270 208 L HA -0.049 4.292 4.340 0.002 0.000 0.210 208 L C 2.092 178.980 176.870 0.029 0.000 1.104 208 L CA 0.919 55.800 54.840 0.068 0.000 0.804 208 L CB -0.019 42.078 42.059 0.065 0.000 0.937 208 L HN 0.259 nan 8.230 nan 0.000 0.450 209 I N -1.247 119.322 120.570 -0.002 0.000 3.393 209 I HA -0.028 4.144 4.170 0.002 0.000 0.250 209 I C 1.782 177.880 176.117 -0.032 0.000 1.122 209 I CA 0.193 61.489 61.300 -0.006 0.000 1.484 209 I CB -0.130 37.869 38.000 -0.002 0.000 1.468 209 I HN 0.011 nan 8.210 nan 0.000 0.461 210 D N 1.738 122.109 120.400 -0.049 0.000 2.106 210 D HA -0.166 4.475 4.640 0.002 0.000 0.191 210 D C 2.112 178.350 176.300 -0.104 0.000 0.997 210 D CA 1.716 55.681 54.000 -0.058 0.000 0.834 210 D CB -0.105 40.659 40.800 -0.059 0.000 0.956 210 D HN 0.298 nan 8.370 nan 0.000 0.448 211 I N -0.035 120.418 120.570 -0.194 0.000 2.260 211 I HA -0.130 4.041 4.170 0.002 0.000 0.237 211 I C 2.497 178.276 176.117 -0.564 0.000 1.075 211 I CA 0.340 61.391 61.300 -0.416 0.000 1.376 211 I CB -0.105 37.583 38.000 -0.520 0.000 1.107 211 I HN -0.063 nan 8.210 nan 0.000 0.420 212 L N 0.363 121.340 121.223 -0.411 0.000 2.042 212 L HA -0.212 4.129 4.340 0.002 0.000 0.210 212 L C 2.774 179.694 176.870 0.083 0.000 1.076 212 L CA 1.355 56.059 54.840 -0.226 0.000 0.749 212 L CB -0.425 41.570 42.059 -0.107 0.000 0.893 212 L HN 0.309 nan 8.230 nan 0.000 0.432 213 R N -0.619 119.911 120.500 0.051 0.000 2.038 213 R HA 0.026 4.367 4.340 0.002 0.000 0.214 213 R C 1.825 178.176 176.300 0.086 0.000 1.249 213 R CA 0.676 56.834 56.100 0.098 0.000 1.025 213 R CB -1.120 29.217 30.300 0.060 0.000 0.911 213 R HN 0.195 nan 8.270 nan 0.000 0.456 214 D N 1.225 121.652 120.400 0.045 0.000 2.133 214 D HA -0.179 4.463 4.640 0.002 0.000 0.195 214 D C 1.688 178.044 176.300 0.095 0.000 0.997 214 D CA 1.342 55.375 54.000 0.055 0.000 0.840 214 D CB 0.088 40.905 40.800 0.028 0.000 0.947 214 D HN 0.402 nan 8.370 nan 0.000 0.452 215 E N -0.961 119.293 120.200 0.091 0.000 2.079 215 E HA -0.060 4.291 4.350 0.002 0.000 0.191 215 E C 1.570 178.411 176.600 0.402 0.000 0.961 215 E CA 0.123 56.640 56.400 0.195 0.000 0.823 215 E CB 0.095 29.879 29.700 0.140 0.000 0.789 215 E HN 0.182 nan 8.360 nan 0.000 0.459 216 W N 1.543 122.930 121.300 0.144 0.000 2.800 216 W HA 0.124 4.786 4.660 0.002 0.000 0.249 216 W C 0.407 177.013 176.519 0.145 0.000 1.294 216 W CA 0.133 57.564 57.345 0.144 0.000 1.402 216 W CB 0.148 29.690 29.460 0.135 0.000 1.126 216 W HN 0.059 nan 8.180 nan 0.000 0.652 217 K N -1.458 119.143 120.400 0.335 0.000 3.020 217 K HA -0.269 4.052 4.320 0.002 0.000 0.266 217 K C -0.217 176.540 176.600 0.261 0.000 1.067 217 K CA 1.049 57.474 56.287 0.230 0.000 0.780 217 K CB -2.371 30.225 32.500 0.159 0.000 1.220 217 K HN 0.337 nan 8.250 nan 0.000 0.483 218 W N 1.994 123.380 121.300 0.143 0.000 2.303 218 W HA 0.113 4.774 4.660 0.002 0.000 0.318 218 W C 0.711 177.255 176.519 0.041 0.000 1.362 218 W CA 0.007 57.408 57.345 0.094 0.000 1.234 218 W CB 0.504 30.043 29.460 0.131 0.000 1.248 218 W HN 0.015 nan 8.180 nan 0.000 0.546 219 D N 4.017 124.088 120.400 -0.549 0.000 2.427 219 D HA 0.185 4.826 4.640 0.002 0.000 0.224 219 D C 0.830 176.569 176.300 -0.934 0.000 1.157 219 D CA 0.060 53.718 54.000 -0.570 0.000 0.828 219 D CB -0.241 40.381 40.800 -0.296 0.000 0.974 219 D HN 0.433 nan 8.370 nan 0.000 0.498 220 G N 0.047 107.624 108.800 -2.039 0.000 2.535 220 G HA2 0.361 4.323 3.960 0.002 0.000 0.282 220 G HA3 0.361 4.323 3.960 0.002 0.000 0.282 220 G C -0.186 174.152 174.900 -0.937 0.000 1.350 220 G CA -0.560 43.594 45.100 -1.576 0.000 1.039 220 G HN 0.232 nan 8.290 nan 0.000 0.509 221 M N -0.002 119.389 119.600 -0.349 0.000 2.336 221 M HA 0.560 5.041 4.480 0.002 0.000 0.342 221 M C -1.303 175.096 176.300 0.166 0.000 1.128 221 M CA -0.620 54.642 55.300 -0.063 0.000 1.016 221 M CB 1.330 33.925 32.600 -0.009 0.000 1.665 221 M HN 0.232 nan 8.290 nan 0.000 0.445 222 L N 6.557 127.878 121.223 0.164 0.000 2.264 222 L HA 0.491 4.832 4.340 0.002 0.000 0.289 222 L C -0.133 176.817 176.870 0.133 0.000 1.044 222 L CA -0.429 54.518 54.840 0.178 0.000 0.807 222 L CB 1.432 43.582 42.059 0.152 0.000 1.192 222 L HN 0.786 nan 8.230 nan 0.000 0.425 223 M N 1.621 121.298 119.600 0.128 0.000 2.644 223 M HA 0.650 5.131 4.480 0.002 0.000 0.316 223 M C 0.010 176.371 176.300 0.102 0.000 1.200 223 M CA -0.542 54.841 55.300 0.138 0.000 0.944 223 M CB 2.029 34.691 32.600 0.103 0.000 1.691 223 M HN 0.490 nan 8.290 nan 0.000 0.471 224 S N 0.200 115.954 115.700 0.090 0.000 2.617 224 S HA 0.228 4.700 4.470 0.002 0.000 0.269 224 S C -0.163 174.474 174.600 0.062 0.000 1.292 224 S CA -0.677 57.534 58.200 0.018 0.000 1.010 224 S CB 0.907 64.077 63.200 -0.050 0.000 0.944 224 S HN 0.833 nan 8.310 nan 0.000 0.536 225 D N 0.219 120.580 120.400 -0.066 0.000 2.369 225 D HA 0.018 4.659 4.640 0.002 0.000 0.241 225 D C -0.465 175.912 176.300 0.128 0.000 1.271 225 D CA -0.307 53.635 54.000 -0.098 0.000 0.942 225 D CB 0.380 40.609 40.800 -0.951 0.000 1.129 225 D HN 0.686 nan 8.370 nan 0.000 0.476 226 W N 1.889 123.104 121.300 -0.143 0.000 2.485 226 W HA 0.108 4.770 4.660 0.002 0.000 0.315 226 W C 0.362 177.013 176.519 0.220 0.000 1.304 226 W CA -0.568 56.764 57.345 -0.021 0.000 1.345 226 W CB -0.149 29.363 29.460 0.087 0.000 1.368 226 W HN 0.501 nan 8.180 nan 0.000 0.497 227 F N 0.627 120.725 119.950 0.248 0.000 2.619 227 F HA -0.252 4.277 4.527 0.002 0.000 0.425 227 F C 1.675 177.546 175.800 0.118 0.000 0.575 227 F CA 0.698 58.845 58.000 0.244 0.000 1.289 227 F CB -1.714 37.538 39.000 0.421 0.000 1.859 227 F HN 0.509 nan 8.300 nan 0.000 0.280 228 G N 1.249 110.152 108.800 0.173 0.000 3.392 228 G HA2 0.372 4.334 3.960 0.002 0.000 0.247 228 G HA3 0.372 4.334 3.960 0.002 0.000 0.247 228 G C 0.090 174.559 174.900 -0.720 0.000 1.161 228 G CA 0.703 45.654 45.100 -0.249 0.000 1.739 228 G HN 0.235 nan 8.290 nan 0.000 0.619 229 T N -0.413 113.676 114.554 -0.774 0.000 2.888 229 T HA 0.467 4.819 4.350 0.002 0.000 0.284 229 T C -0.165 173.677 174.700 -1.431 0.000 1.017 229 T CA -0.265 61.317 62.100 -0.862 0.000 1.022 229 T CB 1.609 70.204 68.868 -0.454 0.000 1.013 229 T HN 0.277 nan 8.240 nan 0.000 0.465 230 Y N 0.039 119.750 120.300 -0.982 0.000 2.590 230 Y HA 0.270 4.821 4.550 0.002 0.000 0.263 230 Y C 1.225 176.319 175.900 -1.345 0.000 1.069 230 Y CA -0.673 56.784 58.100 -1.073 0.000 1.242 230 Y CB 0.649 38.755 38.460 -0.591 0.000 1.357 230 Y HN 0.731 nan 8.280 nan 0.000 0.556 231 T N -4.318 109.621 114.554 -1.025 0.000 2.883 231 T HA 0.387 4.739 4.350 0.002 0.000 0.296 231 T C 0.509 175.097 174.700 -0.186 0.000 1.117 231 T CA -0.342 61.448 62.100 -0.516 0.000 1.006 231 T CB 2.143 70.919 68.868 -0.153 0.000 1.191 231 T HN -0.170 nan 8.240 nan 0.000 0.508 232 T N 0.749 115.445 114.554 0.237 0.000 2.755 232 T HA 0.198 4.549 4.350 0.002 0.000 0.251 232 T C 2.303 177.066 174.700 0.106 0.000 1.044 232 T CA 1.137 63.389 62.100 0.254 0.000 1.154 232 T CB -0.710 68.323 68.868 0.274 0.000 0.866 232 T HN 0.793 nan 8.240 nan 0.000 0.416 233 A N 1.120 123.991 122.820 0.084 0.000 1.903 233 A HA 0.457 4.778 4.320 0.002 0.000 0.213 233 A C 2.532 180.128 177.584 0.021 0.000 1.185 233 A CA 1.381 53.447 52.037 0.048 0.000 0.628 233 A CB -0.995 18.031 19.000 0.044 0.000 0.830 233 A HN 0.462 nan 8.150 nan 0.000 0.446 234 A N 0.017 122.843 122.820 0.010 0.000 1.972 234 A HA 0.181 4.503 4.320 0.002 0.000 0.219 234 A C 2.395 179.972 177.584 -0.011 0.000 1.169 234 A CA 1.911 53.947 52.037 -0.002 0.000 0.635 234 A CB -0.786 18.211 19.000 -0.005 0.000 0.810 234 A HN 0.958 nan 8.150 nan 0.000 0.446 235 A N -0.191 122.613 122.820 -0.027 0.000 1.929 235 A HA 0.021 4.342 4.320 0.002 0.000 0.216 235 A C 2.093 179.671 177.584 -0.010 0.000 1.176 235 A CA 1.311 53.329 52.037 -0.031 0.000 0.628 235 A CB -0.463 18.488 19.000 -0.081 0.000 0.816 235 A HN 0.489 nan 8.150 nan 0.000 0.444 236 I N -0.649 119.921 120.570 0.000 0.000 2.133 236 I HA -0.230 3.941 4.170 0.002 0.000 0.238 236 I C 2.544 178.665 176.117 0.006 0.000 1.074 236 I CA 1.732 63.037 61.300 0.008 0.000 1.342 236 I CB -0.295 37.714 38.000 0.016 0.000 1.053 236 I HN 0.332 nan 8.210 nan 0.000 0.404 237 K N 1.011 121.414 120.400 0.005 0.000 2.074 237 K HA -0.201 4.120 4.320 0.002 0.000 0.209 237 K C 1.262 177.863 176.600 0.002 0.000 1.048 237 K CA 1.728 58.016 56.287 0.003 0.000 0.926 237 K CB -0.041 32.460 32.500 0.001 0.000 0.713 237 K HN 0.270 nan 8.250 nan 0.000 0.444 238 N N -0.492 118.209 118.700 0.001 0.000 2.370 238 N HA 0.057 4.798 4.740 0.002 0.000 0.198 238 N C 0.397 175.912 175.510 0.009 0.000 1.156 238 N CA 0.949 53.999 53.050 0.001 0.000 0.839 238 N CB 1.050 39.535 38.487 -0.005 0.000 0.989 238 N HN 0.469 nan 8.380 nan 0.000 0.468 239 G N 0.330 109.138 108.800 0.013 0.000 2.144 239 G HA2 -0.236 3.726 3.960 0.002 0.000 0.218 239 G HA3 -0.236 3.726 3.960 0.002 0.000 0.218 239 G C -0.280 174.641 174.900 0.035 0.000 0.988 239 G CA -0.334 44.781 45.100 0.024 0.000 0.659 239 G HN 0.318 nan 8.290 nan 0.000 0.522 240 L N 1.462 122.701 121.223 0.026 0.000 2.342 240 L HA 0.491 4.832 4.340 0.002 0.000 0.285 240 L C 1.145 178.033 176.870 0.029 0.000 1.095 240 L CA 0.038 54.896 54.840 0.030 0.000 0.843 240 L CB 0.310 42.374 42.059 0.008 0.000 1.201 240 L HN 0.159 nan 8.230 nan 0.000 0.445 241 D N 4.335 124.763 120.400 0.047 0.000 2.097 241 D HA -0.033 4.609 4.640 0.002 0.000 0.197 241 D C 0.456 176.780 176.300 0.040 0.000 0.984 241 D CA 1.593 55.618 54.000 0.042 0.000 0.826 241 D CB 0.492 41.321 40.800 0.047 0.000 0.973 241 D HN 0.473 nan 8.370 nan 0.000 0.460 242 I N 0.307 120.917 120.570 0.066 0.000 2.619 242 I HA 0.101 4.273 4.170 0.002 0.000 0.292 242 I C -0.870 175.272 176.117 0.042 0.000 1.100 242 I CA -0.757 60.573 61.300 0.051 0.000 1.043 242 I CB 2.822 40.895 38.000 0.122 0.000 1.239 242 I HN -0.271 nan 8.210 nan 0.000 0.420 243 E N 6.392 126.544 120.200 -0.079 0.000 2.259 243 E HA 0.336 4.687 4.350 0.002 0.000 0.281 243 E C -1.831 174.573 176.600 -0.327 0.000 1.027 243 E CA -0.285 56.036 56.400 -0.132 0.000 0.838 243 E CB 0.892 30.523 29.700 -0.116 0.000 1.066 243 E HN 0.428 nan 8.360 nan 0.000 0.401 244 F N 5.328 124.959 119.950 -0.532 0.000 2.546 244 F HA 0.464 4.992 4.527 0.002 0.000 0.320 244 F C -2.016 173.074 175.800 -1.183 0.000 1.076 244 F CA -1.831 55.556 58.000 -1.023 0.000 0.928 244 F CB 2.270 40.222 39.000 -1.746 0.000 1.189 244 F HN 0.412 nan 8.300 nan 0.000 0.465 245 P HA 0.312 nan 4.420 nan 0.000 0.283 245 P C -0.546 176.267 177.300 -0.811 0.000 1.278 245 P CA -0.381 62.008 63.100 -1.184 0.000 0.834 245 P CB 1.270 32.078 31.700 -1.487 0.000 1.150 246 G N 0.539 108.927 108.800 -0.685 0.000 2.572 246 G HA2 0.398 4.360 3.960 0.002 0.000 0.261 246 G HA3 0.398 4.360 3.960 0.002 0.000 0.261 246 G C -2.331 172.321 174.900 -0.413 0.000 1.197 246 G CA -1.204 43.625 45.100 -0.451 0.000 0.870 246 G HN 0.399 nan 8.290 nan 0.000 0.548 247 P HA 0.142 nan 4.420 nan 0.000 0.275 247 P C 0.369 177.563 177.300 -0.177 0.000 1.227 247 P CA -0.132 62.857 63.100 -0.185 0.000 0.781 247 P CB 0.903 32.533 31.700 -0.116 0.000 0.906 248 T N 2.200 116.652 114.554 -0.169 0.000 2.939 248 T HA -0.036 4.315 4.350 0.002 0.000 0.312 248 T C 1.448 176.078 174.700 -0.115 0.000 1.064 248 T CA 0.470 62.489 62.100 -0.136 0.000 1.136 248 T CB 0.011 68.814 68.868 -0.109 0.000 1.035 248 T HN 0.364 nan 8.240 nan 0.000 0.538 249 R N 2.431 122.871 120.500 -0.100 0.000 2.087 249 R HA 0.172 4.513 4.340 0.002 0.000 0.213 249 R C 1.612 177.706 176.300 -0.342 0.000 1.137 249 R CA 0.874 56.814 56.100 -0.267 0.000 1.022 249 R CB 0.074 30.154 30.300 -0.368 0.000 0.920 249 R HN 0.707 nan 8.270 nan 0.000 0.451 250 W N 0.206 121.477 121.300 -0.048 0.000 3.290 250 W HA 0.209 4.870 4.660 0.003 0.000 0.287 250 W C 0.548 177.046 176.519 -0.036 0.000 1.288 250 W CA -0.095 57.230 57.345 -0.035 0.000 1.725 250 W CB 0.556 29.994 29.460 -0.037 0.000 1.103 250 W HN -0.164 nan 8.180 nan 0.000 0.670 251 R N 0.051 120.608 120.500 0.094 0.000 2.637 251 R HA 0.094 4.436 4.340 0.002 0.000 0.446 251 R C 0.550 176.848 176.300 -0.004 0.000 1.024 251 R CA -0.036 56.095 56.100 0.051 0.000 1.080 251 R CB 0.046 30.368 30.300 0.037 0.000 1.421 251 R HN -0.113 nan 8.270 nan 0.000 0.593 252 T N -2.018 112.521 114.554 -0.026 0.000 2.906 252 T HA -0.041 4.311 4.350 0.002 0.000 0.320 252 T C 1.258 175.947 174.700 -0.020 0.000 1.088 252 T CA -0.270 61.806 62.100 -0.040 0.000 1.120 252 T CB 1.518 70.351 68.868 -0.058 0.000 1.000 252 T HN 0.272 nan 8.240 nan 0.000 0.550 253 R N 1.286 121.771 120.500 -0.024 0.000 2.170 253 R HA -0.127 4.215 4.340 0.002 0.000 0.242 253 R C 2.311 178.612 176.300 0.002 0.000 1.145 253 R CA 1.439 57.532 56.100 -0.011 0.000 0.984 253 R CB -0.830 29.460 30.300 -0.017 0.000 0.869 253 R HN 0.869 nan 8.270 nan 0.000 0.455 254 A N 0.467 123.282 122.820 -0.008 0.000 1.903 254 A HA 0.004 4.326 4.320 0.002 0.000 0.213 254 A C 2.099 179.704 177.584 0.035 0.000 1.185 254 A CA 0.415 52.450 52.037 -0.003 0.000 0.628 254 A CB -0.267 18.706 19.000 -0.045 0.000 0.830 254 A HN 0.264 nan 8.150 nan 0.000 0.446 255 L N -0.293 120.945 121.223 0.024 0.000 2.046 255 L HA -0.168 4.173 4.340 0.002 0.000 0.208 255 L C 2.502 179.428 176.870 0.093 0.000 1.077 255 L CA 1.210 56.087 54.840 0.062 0.000 0.747 255 L CB -0.532 41.553 42.059 0.044 0.000 0.896 255 L HN 0.253 nan 8.230 nan 0.000 0.432 256 V N -0.566 119.387 119.914 0.064 0.000 2.302 256 V HA -0.214 3.908 4.120 0.002 0.000 0.243 256 V C 2.662 178.790 176.094 0.055 0.000 1.036 256 V CA 1.843 64.177 62.300 0.057 0.000 1.020 256 V CB -0.450 31.395 31.823 0.036 0.000 0.657 256 V HN 0.605 nan 8.190 nan 0.000 0.453 257 S N -0.326 115.407 115.700 0.055 0.000 2.402 257 S HA -0.287 4.184 4.470 0.002 0.000 0.229 257 S C 1.984 176.636 174.600 0.087 0.000 1.021 257 S CA 1.781 60.013 58.200 0.053 0.000 0.974 257 S CB -0.673 62.551 63.200 0.040 0.000 0.800 257 S HN 0.713 nan 8.310 nan 0.000 0.484 258 H N 1.658 120.729 119.070 0.002 0.000 2.353 258 H HA 0.108 4.665 4.556 0.003 0.000 0.300 258 H C 2.250 177.583 175.328 0.009 0.000 1.090 258 H CA 1.790 57.840 56.048 0.004 0.000 1.327 258 H CB -0.656 29.108 29.762 0.003 0.000 1.383 258 H HN 0.428 nan 8.280 nan 0.000 0.508 259 S N -0.344 115.375 115.700 0.032 0.000 2.368 259 S HA -0.117 4.355 4.470 0.002 0.000 0.225 259 S C 2.304 176.873 174.600 -0.051 0.000 1.030 259 S CA 1.260 59.445 58.200 -0.025 0.000 0.999 259 S CB -0.247 62.972 63.200 0.032 0.000 0.844 259 S HN 0.332 nan 8.310 nan 0.000 0.459 260 L N 1.479 122.688 121.223 -0.023 0.000 2.005 260 L HA -0.091 4.250 4.340 0.002 0.000 0.207 260 L C 2.110 178.954 176.870 -0.043 0.000 1.072 260 L CA 0.942 55.769 54.840 -0.023 0.000 0.744 260 L CB -0.591 41.465 42.059 -0.005 0.000 0.895 260 L HN 0.242 nan 8.230 nan 0.000 0.433 261 N N -0.447 118.222 118.700 -0.051 0.000 2.309 261 N HA -0.112 4.630 4.740 0.002 0.000 0.182 261 N C 1.569 177.016 175.510 -0.105 0.000 1.018 261 N CA 1.139 54.154 53.050 -0.058 0.000 0.876 261 N CB -0.130 38.340 38.487 -0.028 0.000 0.972 261 N HN 0.176 nan 8.380 nan 0.000 0.434 262 S N 0.183 115.771 115.700 -0.186 0.000 2.634 262 S HA 0.203 4.675 4.470 0.002 0.000 0.221 262 S C 0.264 174.795 174.600 -0.115 0.000 0.952 262 S CA -0.373 57.706 58.200 -0.201 0.000 0.930 262 S CB 0.367 63.342 63.200 -0.375 0.000 0.780 262 S HN 0.230 nan 8.310 nan 0.000 0.498 263 R N 1.254 121.707 120.500 -0.080 0.000 3.405 263 R HA -0.178 4.163 4.340 0.002 0.000 0.258 263 R C -0.606 175.668 176.300 -0.044 0.000 1.030 263 R CA 0.446 56.516 56.100 -0.049 0.000 0.691 263 R CB -1.385 28.892 30.300 -0.038 0.000 1.093 263 R HN 0.280 nan 8.270 nan 0.000 0.448 264 E N 0.974 121.144 120.200 -0.051 0.000 2.035 264 E HA 0.133 4.485 4.350 0.002 0.000 0.271 264 E C 0.398 176.991 176.600 -0.012 0.000 0.953 264 E CA -0.044 56.337 56.400 -0.031 0.000 0.777 264 E CB 0.433 30.111 29.700 -0.036 0.000 1.104 264 E HN 0.262 nan 8.360 nan 0.000 0.408 265 Q N 1.314 121.110 119.800 -0.007 0.000 2.755 265 Q HA -0.293 4.049 4.340 0.002 0.000 0.190 265 Q C 0.310 176.309 176.000 -0.001 0.000 2.840 265 Q CA 2.053 57.856 55.803 -0.000 0.000 0.265 265 Q CB -1.810 26.933 28.738 0.009 0.000 0.240 265 Q HN 0.709 nan 8.270 nan 0.000 0.447 266 I N -0.101 120.469 120.570 -0.000 0.000 2.525 266 I HA 0.674 4.845 4.170 0.002 0.000 0.301 266 I C 0.420 176.535 176.117 -0.004 0.000 0.992 266 I CA -0.384 60.916 61.300 0.001 0.000 1.162 266 I CB 1.871 39.876 38.000 0.008 0.000 1.332 266 I HN 0.158 nan 8.210 nan 0.000 0.458 267 T N -0.507 114.045 114.554 -0.004 0.000 2.922 267 T HA 0.352 4.703 4.350 0.002 0.000 0.281 267 T C 1.187 175.885 174.700 -0.003 0.000 1.005 267 T CA 0.059 62.156 62.100 -0.005 0.000 0.982 267 T CB 1.372 70.236 68.868 -0.006 0.000 1.158 267 T HN 0.814 nan 8.240 nan 0.000 0.566 268 T N -1.719 112.833 114.554 -0.004 0.000 2.821 268 T HA -0.070 4.281 4.350 0.002 0.000 0.267 268 T C 1.589 176.288 174.700 -0.002 0.000 1.046 268 T CA 1.187 63.285 62.100 -0.003 0.000 1.139 268 T CB -0.716 68.150 68.868 -0.004 0.000 0.871 268 T HN 0.714 nan 8.240 nan 0.000 0.454 269 E N 1.215 121.413 120.200 -0.003 0.000 2.108 269 E HA -0.243 4.108 4.350 0.002 0.000 0.203 269 E C 2.009 178.608 176.600 -0.001 0.000 1.022 269 E CA 1.814 58.212 56.400 -0.002 0.000 0.823 269 E CB -0.229 29.469 29.700 -0.003 0.000 0.744 269 E HN 0.590 nan 8.360 nan 0.000 0.456 270 D N -0.155 120.245 120.400 -0.000 0.000 2.117 270 D HA -0.131 4.510 4.640 0.002 0.000 0.197 270 D C 2.115 178.416 176.300 0.003 0.000 0.987 270 D CA 0.812 54.813 54.000 0.002 0.000 0.829 270 D CB -0.255 40.547 40.800 0.003 0.000 0.961 270 D HN 0.068 nan 8.370 nan 0.000 0.460 271 V N 1.789 121.705 119.914 0.003 0.000 2.295 271 V HA -0.222 3.899 4.120 0.002 0.000 0.246 271 V C 1.977 178.073 176.094 0.002 0.000 1.049 271 V CA 1.741 64.043 62.300 0.004 0.000 1.024 271 V CB -0.433 31.392 31.823 0.004 0.000 0.648 271 V HN 0.036 nan 8.190 nan 0.000 0.447 272 D N 0.174 120.574 120.400 0.000 0.000 2.116 272 D HA -0.193 4.449 4.640 0.002 0.000 0.193 272 D C 1.908 178.208 176.300 -0.000 0.000 0.998 272 D CA 1.668 55.667 54.000 -0.001 0.000 0.836 272 D CB -0.423 40.375 40.800 -0.003 0.000 0.951 272 D HN 0.433 nan 8.370 nan 0.000 0.449 273 D N 0.046 120.445 120.400 -0.001 0.000 2.117 273 D HA -0.107 4.534 4.640 0.002 0.000 0.197 273 D C 2.221 178.521 176.300 -0.001 0.000 0.987 273 D CA 0.715 54.714 54.000 -0.002 0.000 0.829 273 D CB -0.005 40.794 40.800 -0.001 0.000 0.961 273 D HN 0.116 nan 8.370 nan 0.000 0.460 274 R N 0.597 121.099 120.500 0.003 0.000 2.061 274 R HA -0.043 4.298 4.340 0.002 0.000 0.230 274 R C 2.545 178.850 176.300 0.008 0.000 1.140 274 R CA 0.469 56.573 56.100 0.007 0.000 0.940 274 R CB -1.268 29.038 30.300 0.010 0.000 0.839 274 R HN 0.158 nan 8.270 nan 0.000 0.429 275 V N 1.864 121.784 119.914 0.009 0.000 2.278 275 V HA -0.321 3.800 4.120 0.002 0.000 0.251 275 V C 2.729 178.835 176.094 0.021 0.000 1.062 275 V CA 2.258 64.566 62.300 0.014 0.000 1.038 275 V CB -0.654 31.175 31.823 0.010 0.000 0.646 275 V HN 0.374 nan 8.190 nan 0.000 0.447 276 R N -0.456 120.052 120.500 0.012 0.000 2.113 276 R HA -0.256 4.085 4.340 0.002 0.000 0.244 276 R C 2.432 178.737 176.300 0.008 0.000 1.142 276 R CA 2.102 58.209 56.100 0.012 0.000 0.953 276 R CB -0.232 30.068 30.300 -0.001 0.000 0.860 276 R HN 0.518 nan 8.270 nan 0.000 0.438 277 Q N -0.164 119.629 119.800 -0.012 0.000 2.119 277 Q HA -0.090 4.251 4.340 0.002 0.000 0.201 277 Q C 2.263 178.255 176.000 -0.014 0.000 0.972 277 Q CA 1.292 57.069 55.803 -0.043 0.000 0.847 277 Q CB -0.295 28.404 28.738 -0.065 0.000 0.903 277 Q HN 0.273 nan 8.270 nan 0.000 0.433 278 V N 1.353 121.279 119.914 0.021 0.000 2.332 278 V HA -0.243 3.879 4.120 0.002 0.000 0.248 278 V C 2.440 178.579 176.094 0.075 0.000 1.055 278 V CA 1.352 63.683 62.300 0.051 0.000 1.038 278 V CB -0.650 31.206 31.823 0.055 0.000 0.651 278 V HN 0.273 nan 8.190 nan 0.000 0.450 279 L N -0.553 120.725 121.223 0.092 0.000 2.083 279 L HA -0.225 4.116 4.340 0.002 0.000 0.209 279 L C 2.604 179.578 176.870 0.173 0.000 1.083 279 L CA 1.773 56.719 54.840 0.176 0.000 0.752 279 L CB -0.525 41.629 42.059 0.160 0.000 0.899 279 L HN 0.332 nan 8.230 nan 0.000 0.433 280 K N -0.757 119.693 120.400 0.083 0.000 2.057 280 K HA -0.186 4.136 4.320 0.002 0.000 0.206 280 K C 2.117 178.734 176.600 0.029 0.000 1.050 280 K CA 1.152 57.467 56.287 0.047 0.000 0.935 280 K CB -0.187 32.301 32.500 -0.021 0.000 0.715 280 K HN 0.179 nan 8.250 nan 0.000 0.439 281 M N 1.328 120.935 119.600 0.012 0.000 2.086 281 M HA -0.163 4.318 4.480 0.002 0.000 0.261 281 M C 1.930 178.260 176.300 0.050 0.000 1.067 281 M CA 1.779 57.095 55.300 0.026 0.000 1.116 281 M CB -0.348 32.271 32.600 0.031 0.000 1.348 281 M HN 0.122 nan 8.290 nan 0.000 0.407 282 I N 0.359 120.935 120.570 0.011 0.000 2.226 282 I HA -0.341 3.831 4.170 0.002 0.000 0.245 282 I C 2.530 178.416 176.117 -0.385 0.000 1.100 282 I CA 1.527 62.767 61.300 -0.099 0.000 1.374 282 I CB -0.583 37.407 38.000 -0.018 0.000 1.057 282 I HN 0.360 nan 8.210 nan 0.000 0.413 283 K N 0.898 121.048 120.400 -0.417 0.000 2.063 283 K HA -0.262 4.059 4.320 0.002 0.000 0.208 283 K C 2.263 178.732 176.600 -0.218 0.000 1.048 283 K CA 1.745 57.712 56.287 -0.532 0.000 0.928 283 K CB -0.299 32.170 32.500 -0.052 0.000 0.713 283 K HN 0.165 nan 8.250 nan 0.000 0.442 284 F N 1.130 120.974 119.950 -0.178 0.000 2.091 284 F HA -0.238 4.290 4.527 0.003 0.000 0.299 284 F C 1.792 177.520 175.800 -0.120 0.000 1.103 284 F CA 1.514 59.447 58.000 -0.111 0.000 1.228 284 F CB -0.253 38.706 39.000 -0.069 0.000 0.984 284 F HN -0.172 nan 8.300 nan 0.000 0.477 285 V N -0.781 119.134 119.914 0.002 0.000 2.427 285 V HA -0.250 3.872 4.120 0.002 0.000 0.248 285 V C 2.312 178.302 176.094 -0.174 0.000 1.051 285 V CA 1.507 63.776 62.300 -0.052 0.000 1.048 285 V CB -0.533 31.307 31.823 0.028 0.000 0.666 285 V HN 0.270 nan 8.190 nan 0.000 0.456 286 V N 0.017 119.778 119.914 -0.256 0.000 2.379 286 V HA -0.183 3.938 4.120 0.002 0.000 0.245 286 V C 2.040 178.023 176.094 -0.184 0.000 1.044 286 V CA 1.901 64.062 62.300 -0.233 0.000 1.036 286 V CB -0.572 31.021 31.823 -0.382 0.000 0.664 286 V HN 0.521 nan 8.190 nan 0.000 0.453 287 D N 0.315 120.578 120.400 -0.228 0.000 2.378 287 D HA -0.064 4.578 4.640 0.002 0.000 0.222 287 D C 1.257 177.419 176.300 -0.230 0.000 0.980 287 D CA 0.723 54.609 54.000 -0.190 0.000 0.907 287 D CB -0.158 40.530 40.800 -0.187 0.000 0.899 287 D HN 0.375 nan 8.370 nan 0.000 0.527 288 N N -0.443 118.092 118.700 -0.275 0.000 2.241 288 N HA 0.149 4.890 4.740 0.002 0.000 0.238 288 N C 1.358 176.780 175.510 -0.147 0.000 1.244 288 N CA -0.075 52.822 53.050 -0.255 0.000 0.880 288 N CB 0.817 39.056 38.487 -0.413 0.000 1.179 288 N HN 0.173 nan 8.380 nan 0.000 0.513 289 L N 0.338 121.494 121.223 -0.111 0.000 2.156 289 L HA -0.008 4.334 4.340 0.002 0.000 0.208 289 L C 2.281 179.125 176.870 -0.044 0.000 1.095 289 L CA 1.111 55.914 54.840 -0.061 0.000 0.770 289 L CB 0.063 42.097 42.059 -0.043 0.000 0.914 289 L HN 0.210 nan 8.230 nan 0.000 0.439 290 E N 0.483 120.653 120.200 -0.049 0.000 2.028 290 E HA -0.258 4.094 4.350 0.002 0.000 0.190 290 E C 2.170 178.749 176.600 -0.034 0.000 0.984 290 E CA 0.963 57.343 56.400 -0.034 0.000 0.800 290 E CB 0.107 29.788 29.700 -0.031 0.000 0.758 290 E HN 0.237 nan 8.360 nan 0.000 0.448 291 K N 0.155 120.525 120.400 -0.049 0.000 2.152 291 K HA -0.149 4.172 4.320 0.002 0.000 0.206 291 K C 1.937 178.517 176.600 -0.033 0.000 1.048 291 K CA 1.880 58.141 56.287 -0.043 0.000 0.933 291 K CB -0.066 32.399 32.500 -0.059 0.000 0.721 291 K HN 0.215 nan 8.250 nan 0.000 0.447 292 T N -4.382 110.150 114.554 -0.037 0.000 3.015 292 T HA 0.183 4.535 4.350 0.002 0.000 0.250 292 T C 1.338 176.033 174.700 -0.008 0.000 1.057 292 T CA 0.605 62.693 62.100 -0.020 0.000 1.066 292 T CB 0.252 69.108 68.868 -0.021 0.000 0.959 292 T HN 0.330 nan 8.240 nan 0.000 0.488 293 G N 2.135 110.928 108.800 -0.011 0.000 2.187 293 G HA2 -0.210 3.751 3.960 0.002 0.000 0.261 293 G HA3 -0.210 3.751 3.960 0.002 0.000 0.261 293 G C 0.168 175.072 174.900 0.007 0.000 1.000 293 G CA 0.186 45.285 45.100 -0.002 0.000 0.718 293 G HN 0.636 nan 8.290 nan 0.000 0.519 294 I N 0.184 120.758 120.570 0.007 0.000 2.752 294 I HA 0.131 4.303 4.170 0.002 0.000 0.287 294 I C 0.854 176.986 176.117 0.026 0.000 1.188 294 I CA 0.397 61.709 61.300 0.020 0.000 1.427 294 I CB 1.086 39.101 38.000 0.025 0.000 1.365 294 I HN -0.104 nan 8.210 nan 0.000 0.585 295 V N 6.200 126.136 119.914 0.037 0.000 2.378 295 V HA 0.149 4.271 4.120 0.002 0.000 0.288 295 V C 0.406 176.534 176.094 0.057 0.000 1.016 295 V CA -0.886 61.438 62.300 0.039 0.000 0.840 295 V CB 1.435 33.279 31.823 0.034 0.000 0.994 295 V HN 0.773 nan 8.190 nan 0.000 0.431 296 E N 4.941 125.176 120.200 0.058 0.000 2.529 296 E HA -0.120 4.231 4.350 0.002 0.000 0.259 296 E C 0.861 177.506 176.600 0.075 0.000 0.966 296 E CA 0.351 56.797 56.400 0.077 0.000 0.937 296 E CB 0.103 29.842 29.700 0.065 0.000 0.923 296 E HN 0.733 nan 8.360 nan 0.000 0.468 297 N N 2.221 120.986 118.700 0.108 0.000 2.696 297 N HA -0.173 4.569 4.740 0.002 0.000 0.249 297 N C -0.172 175.382 175.510 0.073 0.000 1.090 297 N CA 1.001 54.097 53.050 0.076 0.000 0.716 297 N CB -1.107 37.364 38.487 -0.026 0.000 1.020 297 N HN 0.640 nan 8.380 nan 0.000 0.548 298 G N -0.253 108.598 108.800 0.085 0.000 2.716 298 G HA2 0.307 4.268 3.960 0.002 0.000 0.251 298 G HA3 0.307 4.268 3.960 0.002 0.000 0.251 298 G C -1.916 173.021 174.900 0.062 0.000 1.224 298 G CA -0.389 44.749 45.100 0.063 0.000 0.891 298 G HN 0.354 nan 8.290 nan 0.000 0.561 299 P HA 0.298 nan 4.420 nan 0.000 0.279 299 P C -0.819 176.507 177.300 0.042 0.000 1.276 299 P CA -0.483 62.644 63.100 0.044 0.000 0.801 299 P CB 1.307 33.028 31.700 0.035 0.000 1.127 300 E N -0.130 120.093 120.200 0.038 0.000 2.129 300 E HA 0.369 4.720 4.350 0.002 0.000 0.268 300 E C -0.222 176.396 176.600 0.031 0.000 0.900 300 E CA -0.531 55.886 56.400 0.028 0.000 0.755 300 E CB 1.126 30.835 29.700 0.016 0.000 1.117 300 E HN 0.399 nan 8.360 nan 0.000 0.410 301 S N 1.013 116.733 115.700 0.034 0.000 2.664 301 S HA 0.340 4.811 4.470 0.002 0.000 0.304 301 S C 0.609 175.247 174.600 0.064 0.000 1.099 301 S CA -0.663 57.561 58.200 0.041 0.000 1.003 301 S CB 1.647 64.867 63.200 0.033 0.000 1.092 301 S HN 0.468 nan 8.310 nan 0.000 0.525 302 T N -1.388 113.207 114.554 0.069 0.000 3.243 302 T HA 0.182 4.533 4.350 0.002 0.000 0.264 302 T C 1.430 176.142 174.700 0.019 0.000 1.000 302 T CA 0.198 62.363 62.100 0.109 0.000 0.901 302 T CB -0.770 68.174 68.868 0.127 0.000 1.083 302 T HN 0.818 nan 8.240 nan 0.000 0.559 303 S N 1.175 116.889 115.700 0.025 0.000 2.465 303 S HA -0.128 4.344 4.470 0.002 0.000 0.241 303 S C 1.635 176.228 174.600 -0.012 0.000 1.000 303 S CA 1.152 59.352 58.200 0.000 0.000 0.964 303 S CB -0.645 62.563 63.200 0.013 0.000 0.763 303 S HN 0.550 nan 8.310 nan 0.000 0.512 304 N N 1.591 120.299 118.700 0.014 0.000 2.236 304 N HA 0.147 4.889 4.740 0.002 0.000 0.196 304 N C -0.050 175.422 175.510 -0.063 0.000 1.114 304 N CA -0.127 52.937 53.050 0.024 0.000 0.859 304 N CB -0.347 38.200 38.487 0.100 0.000 0.982 304 N HN 0.359 nan 8.380 nan 0.000 0.493 305 N N 0.988 119.496 118.700 -0.321 0.000 2.543 305 N HA -0.039 4.703 4.740 0.002 0.000 0.289 305 N C -1.054 174.281 175.510 -0.291 0.000 1.223 305 N CA 0.269 52.886 53.050 -0.721 0.000 1.080 305 N CB -0.445 37.308 38.487 -1.224 0.000 1.450 305 N HN 0.238 nan 8.380 nan 0.000 0.501 306 T N -0.774 113.698 114.554 -0.137 0.000 2.896 306 T HA 0.297 4.649 4.350 0.002 0.000 0.297 306 T C 0.975 175.665 174.700 -0.016 0.000 1.108 306 T CA -0.888 61.174 62.100 -0.063 0.000 1.004 306 T CB 1.715 70.559 68.868 -0.039 0.000 1.159 306 T HN 0.054 nan 8.240 nan 0.000 0.499 307 K N 0.698 121.089 120.400 -0.015 0.000 2.059 307 K HA -0.213 4.109 4.320 0.002 0.000 0.212 307 K C 1.874 178.478 176.600 0.007 0.000 1.050 307 K CA 2.242 58.528 56.287 -0.002 0.000 0.927 307 K CB -0.441 32.051 32.500 -0.012 0.000 0.714 307 K HN 0.919 nan 8.250 nan 0.000 0.447 308 E N -0.549 119.652 120.200 0.002 0.000 2.085 308 E HA -0.164 4.188 4.350 0.002 0.000 0.194 308 E C 1.628 178.234 176.600 0.010 0.000 0.994 308 E CA 1.686 58.090 56.400 0.006 0.000 0.801 308 E CB 0.097 29.800 29.700 0.006 0.000 0.743 308 E HN 0.252 nan 8.360 nan 0.000 0.453 309 T N -0.291 114.270 114.554 0.013 0.000 2.770 309 T HA -0.065 4.287 4.350 0.002 0.000 0.263 309 T C 2.023 176.725 174.700 0.004 0.000 1.039 309 T CA 1.164 63.271 62.100 0.012 0.000 1.142 309 T CB -0.161 68.727 68.868 0.033 0.000 0.868 309 T HN 0.085 nan 8.240 nan 0.000 0.435 310 S N 1.419 117.146 115.700 0.045 0.000 2.400 310 S HA -0.156 4.316 4.470 0.002 0.000 0.232 310 S C 1.768 176.394 174.600 0.043 0.000 1.025 310 S CA 1.117 59.366 58.200 0.082 0.000 0.993 310 S CB -0.487 62.806 63.200 0.155 0.000 0.808 310 S HN 0.440 nan 8.310 nan 0.000 0.478 311 D N 1.129 121.544 120.400 0.025 0.000 2.092 311 D HA -0.081 4.561 4.640 0.002 0.000 0.193 311 D C 1.873 178.177 176.300 0.008 0.000 0.994 311 D CA 0.704 54.715 54.000 0.017 0.000 0.828 311 D CB -0.426 40.381 40.800 0.011 0.000 0.963 311 D HN 0.156 nan 8.370 nan 0.000 0.450 312 L N 0.601 121.821 121.223 -0.005 0.000 2.046 312 L HA -0.064 4.277 4.340 0.002 0.000 0.208 312 L C 2.282 179.125 176.870 -0.045 0.000 1.077 312 L CA 1.260 56.092 54.840 -0.014 0.000 0.747 312 L CB -0.975 41.079 42.059 -0.008 0.000 0.896 312 L HN 0.105 nan 8.230 nan 0.000 0.432 313 L N -1.039 120.123 121.223 -0.102 0.000 2.083 313 L HA -0.234 4.108 4.340 0.002 0.000 0.209 313 L C 2.680 179.528 176.870 -0.037 0.000 1.083 313 L CA 1.371 56.121 54.840 -0.151 0.000 0.752 313 L CB -0.568 41.353 42.059 -0.231 0.000 0.899 313 L HN 0.255 nan 8.230 nan 0.000 0.433 314 R N 0.736 121.239 120.500 0.005 0.000 2.096 314 R HA -0.211 4.130 4.340 0.002 0.000 0.235 314 R C 2.379 178.701 176.300 0.036 0.000 1.127 314 R CA 1.668 57.791 56.100 0.038 0.000 0.968 314 R CB -0.064 30.264 30.300 0.047 0.000 0.861 314 R HN 0.230 nan 8.270 nan 0.000 0.440 315 K N 0.255 120.669 120.400 0.024 0.000 2.031 315 K HA -0.078 4.243 4.320 0.002 0.000 0.205 315 K C 1.969 178.591 176.600 0.037 0.000 1.049 315 K CA 1.491 57.794 56.287 0.027 0.000 0.939 315 K CB -0.053 32.457 32.500 0.017 0.000 0.717 315 K HN 0.182 nan 8.250 nan 0.000 0.438 316 I N 1.211 121.805 120.570 0.040 0.000 2.315 316 I HA -0.213 3.958 4.170 0.002 0.000 0.248 316 I C 2.501 178.665 176.117 0.079 0.000 1.117 316 I CA 1.094 62.433 61.300 0.065 0.000 1.404 316 I CB -0.322 37.735 38.000 0.095 0.000 1.071 316 I HN 0.243 nan 8.210 nan 0.000 0.419 317 A N 0.845 123.710 122.820 0.074 0.000 1.902 317 A HA -0.151 4.170 4.320 0.002 0.000 0.217 317 A C 2.563 180.208 177.584 0.102 0.000 1.181 317 A CA 1.853 53.951 52.037 0.102 0.000 0.623 317 A CB -0.853 18.203 19.000 0.094 0.000 0.818 317 A HN 0.416 nan 8.150 nan 0.000 0.443 318 A N 0.008 122.872 122.820 0.073 0.000 1.877 318 A HA -0.175 4.146 4.320 0.002 0.000 0.216 318 A C 1.642 179.257 177.584 0.052 0.000 1.186 318 A CA 1.911 53.982 52.037 0.058 0.000 0.620 318 A CB -0.613 18.413 19.000 0.043 0.000 0.822 318 A HN 0.415 nan 8.150 nan 0.000 0.443 319 D N -0.435 119.997 120.400 0.052 0.000 2.371 319 D HA 0.046 4.688 4.640 0.002 0.000 0.221 319 D C 1.704 178.050 176.300 0.076 0.000 0.986 319 D CA 0.835 54.863 54.000 0.046 0.000 0.899 319 D CB 0.055 40.878 40.800 0.039 0.000 0.902 319 D HN 0.354 nan 8.370 nan 0.000 0.530 320 S N -0.282 115.487 115.700 0.115 0.000 2.501 320 S HA 0.150 4.622 4.470 0.002 0.000 0.220 320 S C 1.057 175.853 174.600 0.327 0.000 0.997 320 S CA -0.234 58.072 58.200 0.176 0.000 0.919 320 S CB 0.650 63.949 63.200 0.166 0.000 0.778 320 S HN 0.208 nan 8.310 nan 0.000 0.523 321 I N 2.127 122.819 120.570 0.203 0.000 2.634 321 I HA 0.100 4.272 4.170 0.002 0.000 0.284 321 I C -0.546 175.597 176.117 0.044 0.000 1.124 321 I CA -0.066 61.307 61.300 0.123 0.000 1.417 321 I CB 0.827 38.843 38.000 0.026 0.000 1.396 321 I HN -0.105 nan 8.210 nan 0.000 0.571 322 V N 7.014 126.896 119.914 -0.054 0.000 2.444 322 V HA 0.250 4.371 4.120 0.002 0.000 0.294 322 V C -0.345 175.602 176.094 -0.246 0.000 1.022 322 V CA -0.688 61.538 62.300 -0.124 0.000 0.850 322 V CB 1.665 33.436 31.823 -0.087 0.000 0.992 322 V HN 0.400 nan 8.190 nan 0.000 0.426 323 L N 5.733 126.807 121.223 -0.248 0.000 2.281 323 L HA 0.449 4.790 4.340 0.002 0.000 0.285 323 L C 0.417 177.125 176.870 -0.269 0.000 1.074 323 L CA 0.651 55.335 54.840 -0.260 0.000 0.817 323 L CB 0.716 42.611 42.059 -0.273 0.000 1.168 323 L HN 0.626 nan 8.230 nan 0.000 0.434 324 L N 3.730 124.760 121.223 -0.322 0.000 2.470 324 L HA 0.340 4.682 4.340 0.002 0.000 0.219 324 L C 0.442 177.240 176.870 -0.120 0.000 1.071 324 L CA 0.157 54.757 54.840 -0.401 0.000 0.850 324 L CB 0.069 41.517 42.059 -1.018 0.000 1.040 324 L HN 0.584 nan 8.230 nan 0.000 0.475 325 K N 0.183 120.525 120.400 -0.097 0.000 2.543 325 K HA 0.308 4.629 4.320 0.002 0.000 0.255 325 K C -1.310 175.289 176.600 -0.001 0.000 0.934 325 K CA -0.524 55.775 56.287 0.020 0.000 0.810 325 K CB 2.142 34.669 32.500 0.045 0.000 1.315 325 K HN -0.275 nan 8.250 nan 0.000 0.433 326 N N 2.541 121.260 118.700 0.032 0.000 2.785 326 N HA 0.113 4.854 4.740 0.002 0.000 0.224 326 N C -1.622 173.906 175.510 0.030 0.000 1.448 326 N CA -0.310 52.757 53.050 0.030 0.000 0.748 326 N CB 0.617 39.144 38.487 0.067 0.000 1.385 326 N HN 0.401 nan 8.380 nan 0.000 0.538 327 K N 0.756 121.170 120.400 0.023 0.000 2.219 327 K HA 0.218 4.539 4.320 0.002 0.000 0.258 327 K C 0.413 177.015 176.600 0.003 0.000 1.008 327 K CA -0.347 55.951 56.287 0.019 0.000 0.928 327 K CB 0.407 32.919 32.500 0.020 0.000 0.983 327 K HN 0.370 nan 8.250 nan 0.000 0.484 328 N N 1.594 120.295 118.700 0.002 0.000 2.713 328 N HA -0.258 4.484 4.740 0.002 0.000 0.251 328 N C -0.934 174.566 175.510 -0.017 0.000 1.117 328 N CA 1.414 54.460 53.050 -0.006 0.000 0.770 328 N CB -1.769 36.713 38.487 -0.008 0.000 1.137 328 N HN 0.877 nan 8.380 nan 0.000 0.566 329 N N -1.143 117.545 118.700 -0.021 0.000 2.714 329 N HA -0.227 4.515 4.740 0.002 0.000 0.250 329 N C 1.002 176.473 175.510 -0.064 0.000 1.117 329 N CA 0.904 53.926 53.050 -0.046 0.000 0.719 329 N CB -1.335 37.128 38.487 -0.040 0.000 1.081 329 N HN 0.520 nan 8.380 nan 0.000 0.557 330 I N -0.590 119.949 120.570 -0.051 0.000 2.236 330 I HA -0.248 3.923 4.170 0.002 0.000 0.249 330 I C 0.949 177.009 176.117 -0.096 0.000 1.102 330 I CA 1.421 62.685 61.300 -0.060 0.000 1.365 330 I CB -0.256 37.713 38.000 -0.051 0.000 1.051 330 I HN 0.242 nan 8.210 nan 0.000 0.420 331 L N 1.037 122.188 121.223 -0.120 0.000 2.333 331 L HA 0.434 4.775 4.340 0.002 0.000 0.269 331 L C -2.387 174.163 176.870 -0.534 0.000 1.010 331 L CA -2.013 52.694 54.840 -0.223 0.000 0.818 331 L CB 1.503 43.535 42.059 -0.045 0.000 1.306 331 L HN -0.243 nan 8.230 nan 0.000 0.430 332 P HA 0.078 nan 4.420 nan 0.000 0.271 332 P C -0.511 176.662 177.300 -0.213 0.000 1.216 332 P CA -0.569 62.247 63.100 -0.474 0.000 0.776 332 P CB 0.702 32.163 31.700 -0.399 0.000 0.881 333 L N 3.123 124.207 121.223 -0.232 0.000 2.499 333 L HA 0.027 4.368 4.340 0.002 0.000 0.281 333 L C 1.134 178.083 176.870 0.131 0.000 1.234 333 L CA 1.007 55.744 54.840 -0.172 0.000 0.839 333 L CB -0.773 40.947 42.059 -0.565 0.000 1.104 333 L HN 0.381 nan 8.230 nan 0.000 0.500 334 K N 2.152 122.668 120.400 0.193 0.000 2.270 334 K HA 0.311 4.632 4.320 0.002 0.000 0.255 334 K C 0.740 177.475 176.600 0.226 0.000 0.936 334 K CA -0.785 55.625 56.287 0.206 0.000 0.809 334 K CB 1.788 34.342 32.500 0.090 0.000 1.131 334 K HN 0.317 nan 8.250 nan 0.000 0.427 335 K N 1.315 121.780 120.400 0.108 0.000 2.089 335 K HA -0.242 4.079 4.320 0.002 0.000 0.210 335 K C 0.799 177.417 176.600 0.030 0.000 1.048 335 K CA 1.834 58.112 56.287 -0.014 0.000 0.926 335 K CB 0.057 32.499 32.500 -0.095 0.000 0.714 335 K HN 0.486 nan 8.250 nan 0.000 0.448 336 E N 1.023 121.245 120.200 0.036 0.000 2.478 336 E HA -0.041 4.311 4.350 0.002 0.000 0.198 336 E C -0.190 176.438 176.600 0.047 0.000 1.046 336 E CA 0.477 56.895 56.400 0.031 0.000 0.870 336 E CB -0.092 29.619 29.700 0.018 0.000 0.818 336 E HN 0.220 nan 8.360 nan 0.000 0.527 337 D N 0.968 121.413 120.400 0.076 0.000 2.414 337 D HA -0.009 4.633 4.640 0.002 0.000 0.242 337 D C -0.153 176.198 176.300 0.084 0.000 1.129 337 D CA 0.048 54.093 54.000 0.075 0.000 0.885 337 D CB 0.491 41.341 40.800 0.083 0.000 1.198 337 D HN -0.049 nan 8.370 nan 0.000 0.437 338 N N 2.028 120.775 118.700 0.078 0.000 2.521 338 N HA 0.193 4.935 4.740 0.002 0.000 0.236 338 N C -0.524 175.098 175.510 0.185 0.000 1.067 338 N CA -0.447 52.670 53.050 0.112 0.000 0.939 338 N CB -0.031 38.493 38.487 0.062 0.000 1.201 338 N HN 0.367 nan 8.380 nan 0.000 0.511 339 I N 0.410 121.089 120.570 0.182 0.000 2.707 339 I HA 0.601 4.773 4.170 0.002 0.000 0.309 339 I C -0.717 175.418 176.117 0.030 0.000 1.001 339 I CA -1.044 60.324 61.300 0.113 0.000 1.129 339 I CB 1.747 39.793 38.000 0.077 0.000 1.308 339 I HN 0.329 nan 8.210 nan 0.000 0.466 340 I N 4.624 125.061 120.570 -0.220 0.000 2.498 340 I HA 0.438 4.609 4.170 0.002 0.000 0.290 340 I C -1.217 174.835 176.117 -0.109 0.000 1.032 340 I CA -0.834 60.280 61.300 -0.310 0.000 1.073 340 I CB 2.054 39.574 38.000 -0.800 0.000 1.251 340 I HN 0.444 nan 8.210 nan 0.000 0.426 341 V N 8.360 128.301 119.914 0.044 0.000 2.406 341 V HA 0.430 4.551 4.120 0.002 0.000 0.272 341 V C 0.141 176.277 176.094 0.069 0.000 1.043 341 V CA -0.086 62.293 62.300 0.131 0.000 0.915 341 V CB 1.166 33.188 31.823 0.330 0.000 0.988 341 V HN 0.477 nan 8.190 nan 0.000 0.466 342 I N 3.638 124.194 120.570 -0.023 0.000 2.689 342 I HA 0.914 5.085 4.170 0.002 0.000 0.299 342 I C 0.345 176.423 176.117 -0.065 0.000 1.059 342 I CA -0.409 60.804 61.300 -0.145 0.000 1.055 342 I CB 2.321 40.220 38.000 -0.168 0.000 1.243 342 I HN 0.828 nan 8.210 nan 0.000 0.425 343 G N 4.703 113.448 108.800 -0.092 0.000 2.375 343 G HA2 0.009 3.971 3.960 0.002 0.000 0.663 343 G HA3 0.009 3.971 3.960 0.002 0.000 0.663 343 G C -2.946 172.010 174.900 0.093 0.000 1.391 343 G CA -0.877 44.225 45.100 0.003 0.000 0.949 343 G HN 0.360 nan 8.290 nan 0.000 0.646 344 P HA -0.018 nan 4.420 nan 0.000 0.218 344 P C 1.202 178.635 177.300 0.221 0.000 1.149 344 P CA 1.144 64.364 63.100 0.201 0.000 0.817 344 P CB 0.179 31.996 31.700 0.195 0.000 0.785 345 N N -1.502 117.315 118.700 0.195 0.000 2.230 345 N HA 0.179 4.920 4.740 0.002 0.000 0.202 345 N C 1.328 176.956 175.510 0.198 0.000 1.119 345 N CA 0.197 53.366 53.050 0.199 0.000 0.851 345 N CB -0.311 38.293 38.487 0.195 0.000 0.990 345 N HN -0.008 nan 8.380 nan 0.000 0.497 346 A N 0.889 123.842 122.820 0.221 0.000 1.873 346 A HA -0.064 4.257 4.320 0.002 0.000 0.215 346 A C 1.995 179.727 177.584 0.247 0.000 1.186 346 A CA 1.320 53.517 52.037 0.266 0.000 0.616 346 A CB -0.027 19.195 19.000 0.370 0.000 0.823 346 A HN 0.130 nan 8.150 nan 0.000 0.442 347 K N -0.886 119.625 120.400 0.184 0.000 2.361 347 K HA 0.363 4.684 4.320 0.002 0.000 0.194 347 K C 0.771 177.431 176.600 0.100 0.000 1.032 347 K CA 0.299 56.625 56.287 0.065 0.000 1.048 347 K CB 0.201 32.621 32.500 -0.132 0.000 0.842 347 K HN 0.452 nan 8.250 nan 0.000 0.526 348 A N 1.698 124.601 122.820 0.138 0.000 2.386 348 A HA 0.095 4.417 4.320 0.002 0.000 0.246 348 A C -0.139 177.518 177.584 0.122 0.000 1.089 348 A CA 0.269 52.382 52.037 0.126 0.000 0.790 348 A CB 0.214 19.303 19.000 0.149 0.000 1.042 348 A HN 0.126 nan 8.150 nan 0.000 0.497 349 K N 0.953 121.411 120.400 0.096 0.000 3.082 349 K HA 0.171 4.492 4.320 0.002 0.000 0.203 349 K C 0.053 176.691 176.600 0.063 0.000 1.177 349 K CA 0.176 56.515 56.287 0.087 0.000 1.041 349 K CB 0.431 32.974 32.500 0.071 0.000 1.312 349 K HN 0.743 nan 8.250 nan 0.000 0.526 350 T N -1.513 113.098 114.554 0.095 0.000 4.219 350 T HA -0.002 4.349 4.350 0.002 0.000 0.263 350 T C 1.244 175.983 174.700 0.064 0.000 1.217 350 T CA -0.313 61.817 62.100 0.050 0.000 1.145 350 T CB 0.027 68.982 68.868 0.146 0.000 1.298 350 T HN 0.225 nan 8.240 nan 0.000 0.999 351 S N 1.606 117.309 115.700 0.006 0.000 2.423 351 S HA 0.081 4.553 4.470 0.002 0.000 0.231 351 S C 1.012 175.629 174.600 0.028 0.000 1.014 351 S CA 0.158 58.381 58.200 0.038 0.000 0.965 351 S CB -0.450 62.743 63.200 -0.012 0.000 0.785 351 S HN 1.080 nan 8.310 nan 0.000 0.495 352 S N -1.017 114.577 115.700 -0.177 0.000 2.615 352 S HA 0.708 5.180 4.470 0.002 0.000 0.269 352 S C -0.099 174.055 174.600 -0.742 0.000 1.161 352 S CA -0.623 57.434 58.200 -0.238 0.000 0.817 352 S CB 0.791 63.934 63.200 -0.095 0.000 1.131 352 S HN 0.536 nan 8.310 nan 0.000 0.467 353 G N -0.409 107.858 108.800 -0.889 0.000 2.599 353 G HA2 0.533 4.495 3.960 0.002 0.000 0.264 353 G HA3 0.533 4.495 3.960 0.002 0.000 0.264 353 G C 0.420 174.872 174.900 -0.746 0.000 1.200 353 G CA -0.349 43.808 45.100 -1.571 0.000 0.896 353 G HN 1.137 nan 8.290 nan 0.000 0.536 354 G N -1.384 107.106 108.800 -0.516 0.000 2.415 354 G HA2 0.633 4.595 3.960 0.002 0.000 0.269 354 G HA3 0.633 4.595 3.960 0.002 0.000 0.269 354 G C 0.548 175.484 174.900 0.060 0.000 1.209 354 G CA 0.784 45.770 45.100 -0.190 0.000 0.835 354 G HN 1.815 nan 8.290 nan 0.000 0.534 355 G N 0.693 109.528 108.800 0.059 0.000 2.295 355 G HA2 0.138 4.099 3.960 0.002 0.000 0.195 355 G HA3 0.138 4.099 3.960 0.002 0.000 0.195 355 G C 1.291 176.375 174.900 0.307 0.000 1.269 355 G CA 0.617 45.863 45.100 0.243 0.000 1.170 355 G HN 1.730 nan 8.290 nan 0.000 0.511 356 S N 0.259 116.159 115.700 0.334 0.000 2.547 356 S HA 0.305 4.776 4.470 0.002 0.000 0.235 356 S C 2.203 176.863 174.600 0.100 0.000 0.980 356 S CA 1.690 60.048 58.200 0.265 0.000 0.941 356 S CB -0.049 63.240 63.200 0.149 0.000 0.763 356 S HN 2.028 nan 8.310 nan 0.000 0.532 357 A N 1.662 124.566 122.820 0.141 0.000 2.081 357 A HA 0.317 4.639 4.320 0.002 0.000 0.214 357 A C 1.519 179.131 177.584 0.047 0.000 1.158 357 A CA 0.493 52.588 52.037 0.097 0.000 0.724 357 A CB -0.562 18.586 19.000 0.248 0.000 0.826 357 A HN 0.703 nan 8.150 nan 0.000 0.463 358 S N -0.201 115.529 115.700 0.050 0.000 2.624 358 S HA 0.661 5.133 4.470 0.002 0.000 0.263 358 S C -0.054 174.487 174.600 -0.099 0.000 1.287 358 S CA 0.183 58.373 58.200 -0.016 0.000 0.990 358 S CB 0.627 63.819 63.200 -0.012 0.000 0.950 358 S HN 0.888 nan 8.310 nan 0.000 0.561 359 M N -0.437 119.095 119.600 -0.113 0.000 2.895 359 M HA 0.507 4.988 4.480 0.002 0.000 0.271 359 M C -1.856 174.366 176.300 -0.130 0.000 1.174 359 M CA -0.917 54.280 55.300 -0.172 0.000 0.816 359 M CB 1.339 33.822 32.600 -0.194 0.000 1.647 359 M HN 0.514 nan 8.290 nan 0.000 0.506 360 N N 1.242 119.858 118.700 -0.140 0.000 2.422 360 N HA 0.439 5.181 4.740 0.002 0.000 0.264 360 N C -1.438 173.962 175.510 -0.184 0.000 1.063 360 N CA 0.179 53.159 53.050 -0.116 0.000 0.959 360 N CB 1.345 39.784 38.487 -0.079 0.000 1.087 360 N HN 0.664 nan 8.380 nan 0.000 0.483 361 S N 2.851 118.444 115.700 -0.178 0.000 2.586 361 S HA 0.172 4.643 4.470 0.002 0.000 0.274 361 S C 0.848 175.342 174.600 -0.177 0.000 1.281 361 S CA -0.498 57.531 58.200 -0.285 0.000 1.035 361 S CB 0.459 63.513 63.200 -0.244 0.000 0.962 361 S HN 0.445 nan 8.310 nan 0.000 0.512 362 Y N 1.476 121.687 120.300 -0.149 0.000 2.030 362 Y HA -0.165 4.387 4.550 0.003 0.000 0.272 362 Y C 0.864 176.793 175.900 0.047 0.000 1.185 362 Y CA 1.211 59.273 58.100 -0.062 0.000 1.120 362 Y CB -0.861 37.539 38.460 -0.100 0.000 0.955 362 Y HN 0.802 nan 8.280 nan 0.000 0.495 363 Y N -5.581 114.818 120.300 0.165 0.000 2.662 363 Y HA 0.613 5.164 4.550 0.003 0.000 0.334 363 Y C -1.770 174.169 175.900 0.064 0.000 1.185 363 Y CA -2.492 55.665 58.100 0.094 0.000 1.074 363 Y CB 0.796 39.311 38.460 0.093 0.000 1.330 363 Y HN -0.342 nan 8.280 nan 0.000 0.458 364 V N 2.599 122.615 119.914 0.170 0.000 2.409 364 V HA 0.461 4.582 4.120 0.002 0.000 0.291 364 V C -0.478 175.775 176.094 0.264 0.000 1.020 364 V CA -1.037 61.345 62.300 0.138 0.000 0.848 364 V CB 1.515 33.376 31.823 0.064 0.000 0.990 364 V HN 0.721 nan 8.190 nan 0.000 0.430 365 V N 4.317 124.417 119.914 0.310 0.000 2.397 365 V HA 0.209 4.330 4.120 0.002 0.000 0.262 365 V C 1.049 177.241 176.094 0.164 0.000 1.047 365 V CA 0.001 62.432 62.300 0.218 0.000 1.003 365 V CB 0.733 32.668 31.823 0.186 0.000 1.037 365 V HN 1.038 nan 8.190 nan 0.000 0.480 366 S N 6.880 122.673 115.700 0.155 0.000 2.580 366 S HA 0.207 4.679 4.470 0.002 0.000 0.266 366 S C -1.268 173.428 174.600 0.159 0.000 1.354 366 S CA -0.540 57.756 58.200 0.159 0.000 1.008 366 S CB 0.993 64.294 63.200 0.168 0.000 0.898 366 S HN 0.538 nan 8.310 nan 0.000 0.555 367 P HA -0.025 nan 4.420 nan 0.000 0.217 367 P C 1.302 178.689 177.300 0.145 0.000 1.151 367 P CA 0.954 64.142 63.100 0.146 0.000 0.828 367 P CB -0.258 31.530 31.700 0.146 0.000 0.788 368 Y N 1.881 122.230 120.300 0.083 0.000 2.114 368 Y HA -0.249 4.303 4.550 0.002 0.000 0.282 368 Y C 2.131 178.060 175.900 0.050 0.000 1.165 368 Y CA 1.875 60.016 58.100 0.068 0.000 1.148 368 Y CB -0.840 37.636 38.460 0.027 0.000 0.972 368 Y HN -0.040 nan 8.280 nan 0.000 0.504 369 E N -0.393 119.852 120.200 0.075 0.000 2.085 369 E HA -0.189 4.162 4.350 0.002 0.000 0.194 369 E C 2.418 178.979 176.600 -0.065 0.000 0.994 369 E CA 0.920 57.310 56.400 -0.016 0.000 0.801 369 E CB -0.574 29.184 29.700 0.096 0.000 0.743 369 E HN 0.689 nan 8.360 nan 0.000 0.453 370 G N 1.492 110.293 108.800 0.001 0.000 2.446 370 G HA2 -0.251 3.710 3.960 0.002 0.000 0.217 370 G HA3 -0.251 3.710 3.960 0.002 0.000 0.217 370 G C 1.608 176.508 174.900 -0.000 0.000 1.168 370 G CA 0.703 45.817 45.100 0.022 0.000 0.771 370 G HN 0.129 nan 8.290 nan 0.000 0.551 371 I N 0.123 120.679 120.570 -0.022 0.000 2.252 371 I HA -0.134 4.037 4.170 0.002 0.000 0.245 371 I C 2.774 178.823 176.117 -0.114 0.000 1.102 371 I CA 0.315 61.616 61.300 0.002 0.000 1.385 371 I CB -0.388 37.620 38.000 0.013 0.000 1.064 371 I HN 0.015 nan 8.210 nan 0.000 0.414 372 V N 1.710 121.463 119.914 -0.268 0.000 2.282 372 V HA -0.336 3.786 4.120 0.002 0.000 0.249 372 V C 2.217 178.232 176.094 -0.131 0.000 1.057 372 V CA 2.186 64.340 62.300 -0.245 0.000 1.032 372 V CB -0.771 30.861 31.823 -0.319 0.000 0.645 372 V HN 0.494 nan 8.190 nan 0.000 0.447 373 N N -0.172 118.468 118.700 -0.100 0.000 2.223 373 N HA -0.177 4.565 4.740 0.002 0.000 0.185 373 N C 1.843 177.306 175.510 -0.079 0.000 1.016 373 N CA 1.280 54.288 53.050 -0.071 0.000 0.863 373 N CB -0.258 38.200 38.487 -0.047 0.000 0.983 373 N HN 0.386 nan 8.380 nan 0.000 0.429 374 K N 1.362 121.708 120.400 -0.091 0.000 2.031 374 K HA 0.077 4.398 4.320 0.002 0.000 0.205 374 K C 2.003 178.475 176.600 -0.213 0.000 1.049 374 K CA 0.843 57.042 56.287 -0.147 0.000 0.939 374 K CB -0.228 32.176 32.500 -0.161 0.000 0.717 374 K HN 0.100 nan 8.250 nan 0.000 0.438 375 L N -2.133 118.968 121.223 -0.203 0.000 2.102 375 L HA 0.222 4.564 4.340 0.002 0.000 0.202 375 L C 1.495 178.301 176.870 -0.107 0.000 1.076 375 L CA 0.732 55.466 54.840 -0.176 0.000 0.761 375 L CB -0.250 41.726 42.059 -0.138 0.000 0.921 375 L HN 0.484 nan 8.230 nan 0.000 0.444 376 G N 0.330 109.077 108.800 -0.088 0.000 2.159 376 G HA2 -0.208 3.753 3.960 0.002 0.000 0.227 376 G HA3 -0.208 3.753 3.960 0.002 0.000 0.227 376 G C -0.011 174.863 174.900 -0.043 0.000 0.986 376 G CA 0.112 45.175 45.100 -0.062 0.000 0.651 376 G HN 0.425 nan 8.290 nan 0.000 0.523 377 K N 0.514 120.890 120.400 -0.040 0.000 2.385 377 K HA 0.678 4.999 4.320 0.002 0.000 0.248 377 K C -0.070 176.527 176.600 -0.005 0.000 0.955 377 K CA -1.116 55.163 56.287 -0.015 0.000 0.816 377 K CB 1.974 34.471 32.500 -0.006 0.000 1.250 377 K HN 0.174 nan 8.250 nan 0.000 0.434 378 E N 0.884 121.099 120.200 0.025 0.000 2.892 378 E HA -0.076 4.276 4.350 0.002 0.000 0.273 378 E C -0.623 176.019 176.600 0.070 0.000 0.921 378 E CA 0.376 56.815 56.400 0.065 0.000 0.968 378 E CB 0.298 30.046 29.700 0.081 0.000 0.941 378 E HN 0.200 nan 8.360 nan 0.000 0.492 379 V N 3.924 123.904 119.914 0.110 0.000 2.555 379 V HA 0.107 4.228 4.120 0.002 0.000 0.302 379 V C -0.284 175.967 176.094 0.262 0.000 1.038 379 V CA -1.030 61.349 62.300 0.131 0.000 0.887 379 V CB 1.943 33.773 31.823 0.013 0.000 0.991 379 V HN 0.601 nan 8.190 nan 0.000 0.434 380 D N 3.078 123.605 120.400 0.211 0.000 2.455 380 D HA 0.267 4.908 4.640 0.002 0.000 0.241 380 D C -0.644 175.809 176.300 0.255 0.000 1.138 380 D CA 0.593 54.719 54.000 0.209 0.000 0.877 380 D CB 0.937 41.842 40.800 0.176 0.000 1.187 380 D HN 0.635 nan 8.370 nan 0.000 0.451 381 Y N -0.284 120.059 120.300 0.073 0.000 2.571 381 Y HA 0.433 4.984 4.550 0.002 0.000 0.341 381 Y C -1.287 174.596 175.900 -0.028 0.000 1.076 381 Y CA -0.607 57.508 58.100 0.025 0.000 1.029 381 Y CB 2.299 40.744 38.460 -0.025 0.000 1.308 381 Y HN 0.309 nan 8.280 nan 0.000 0.461 382 T N 4.181 118.247 114.554 -0.814 0.000 2.916 382 T HA 0.238 4.590 4.350 0.002 0.000 0.305 382 T C -0.081 173.939 174.700 -1.134 0.000 1.119 382 T CA -0.095 61.542 62.100 -0.772 0.000 1.008 382 T CB 1.620 70.290 68.868 -0.330 0.000 1.129 382 T HN 0.824 nan 8.240 nan 0.000 0.480 383 V N 4.273 123.730 119.914 -0.761 0.000 2.427 383 V HA 0.199 4.321 4.120 0.002 0.000 0.248 383 V C 2.003 177.933 176.094 -0.273 0.000 1.051 383 V CA 3.258 65.320 62.300 -0.396 0.000 1.048 383 V CB -1.046 30.716 31.823 -0.100 0.000 0.666 383 V HN 1.432 nan 8.190 nan 0.000 0.456 384 G N -0.257 108.381 108.800 -0.269 0.000 3.329 384 G HA2 -0.081 3.881 3.960 0.002 0.000 0.220 384 G HA3 -0.081 3.881 3.960 0.002 0.000 0.220 384 G C 0.418 175.219 174.900 -0.166 0.000 1.358 384 G CA 0.314 45.298 45.100 -0.193 0.000 0.856 384 G HN 2.018 nan 8.290 nan 0.000 0.551 385 A N -1.729 121.003 122.820 -0.146 0.000 2.597 385 A HA 0.677 4.998 4.320 0.002 0.000 0.292 385 A C -1.236 176.334 177.584 -0.025 0.000 1.057 385 A CA -0.431 51.530 52.037 -0.127 0.000 0.674 385 A CB 0.514 19.489 19.000 -0.042 0.000 1.278 385 A HN 1.123 nan 8.150 nan 0.000 0.416 386 Y N 0.859 121.194 120.300 0.059 0.000 2.320 386 Y HA 0.533 5.084 4.550 0.002 0.000 0.324 386 Y C 1.548 177.460 175.900 0.020 0.000 1.190 386 Y CA -0.084 58.077 58.100 0.101 0.000 1.215 386 Y CB 1.852 40.418 38.460 0.178 0.000 1.221 386 Y HN 0.921 nan 8.280 nan 0.000 0.486 387 S N -0.774 115.062 115.700 0.226 0.000 2.820 387 S HA 0.085 4.556 4.470 0.002 0.000 0.265 387 S C -0.431 174.337 174.600 0.279 0.000 1.043 387 S CA -0.452 57.838 58.200 0.151 0.000 1.245 387 S CB -1.144 62.153 63.200 0.162 0.000 1.187 387 S HN 0.800 nan 8.310 nan 0.000 0.673 388 H N 1.530 120.793 119.070 0.322 0.000 3.119 388 H HA 0.296 4.854 4.556 0.003 0.000 0.334 388 H C 1.098 176.533 175.328 0.179 0.000 1.042 388 H CA 0.756 56.929 56.048 0.208 0.000 1.354 388 H CB 0.571 30.344 29.762 0.018 0.000 1.285 388 H HN 0.259 nan 8.280 nan 0.000 0.601 389 K N 1.522 121.832 120.400 -0.148 0.000 2.128 389 K HA 0.010 4.332 4.320 0.002 0.000 0.202 389 K C 0.084 176.587 176.600 -0.160 0.000 1.050 389 K CA 0.826 56.746 56.287 -0.611 0.000 0.966 389 K CB 0.312 31.883 32.500 -1.548 0.000 0.759 389 K HN 0.791 nan 8.250 nan 0.000 0.454 390 S N -0.747 114.924 115.700 -0.049 0.000 2.709 390 S HA 0.488 4.959 4.470 0.002 0.000 0.302 390 S C -0.328 174.264 174.600 -0.013 0.000 1.127 390 S CA -1.079 57.131 58.200 0.016 0.000 0.905 390 S CB 1.322 64.501 63.200 -0.036 0.000 1.151 390 S HN 0.106 nan 8.310 nan 0.000 0.510 391 I N 1.832 122.332 120.570 -0.116 0.000 2.315 391 I HA 0.550 4.721 4.170 0.002 0.000 0.291 391 I C 0.956 176.969 176.117 -0.172 0.000 1.006 391 I CA -0.173 60.965 61.300 -0.270 0.000 1.265 391 I CB 1.098 38.943 38.000 -0.258 0.000 1.387 391 I HN 0.956 nan 8.210 nan 0.000 0.475 392 G N 2.783 111.476 108.800 -0.178 0.000 3.175 392 G HA2 0.618 4.579 3.960 0.002 0.000 0.153 392 G HA3 0.618 4.579 3.960 0.002 0.000 0.153 392 G C 0.684 175.513 174.900 -0.119 0.000 1.216 392 G CA -0.074 44.956 45.100 -0.117 0.000 0.943 392 G HN 0.850 nan 8.290 nan 0.000 0.611 393 G N -0.742 108.012 108.800 -0.077 0.000 2.527 393 G HA2 -0.229 3.732 3.960 0.002 0.000 0.218 393 G HA3 -0.229 3.732 3.960 0.002 0.000 0.218 393 G C 1.560 176.444 174.900 -0.027 0.000 1.177 393 G CA 0.943 46.012 45.100 -0.052 0.000 0.695 393 G HN 1.443 nan 8.290 nan 0.000 0.517 394 L N 1.860 123.048 121.223 -0.059 0.000 2.010 394 L HA 0.103 4.444 4.340 0.002 0.000 0.219 394 L C 3.098 179.984 176.870 0.027 0.000 1.077 394 L CA 3.608 58.423 54.840 -0.042 0.000 0.773 394 L CB -0.887 41.154 42.059 -0.029 0.000 0.892 394 L HN 1.094 nan 8.230 nan 0.000 0.436 395 A N -1.456 121.372 122.820 0.015 0.000 1.969 395 A HA -0.170 4.151 4.320 0.002 0.000 0.218 395 A C 2.080 179.699 177.584 0.059 0.000 1.169 395 A CA 1.538 53.599 52.037 0.040 0.000 0.635 395 A CB -0.556 18.456 19.000 0.019 0.000 0.810 395 A HN 0.563 nan 8.150 nan 0.000 0.445 396 E N 0.509 120.738 120.200 0.047 0.000 2.051 396 E HA -0.094 4.257 4.350 0.002 0.000 0.192 396 E C 1.619 178.269 176.600 0.084 0.000 0.991 396 E CA 1.488 57.921 56.400 0.055 0.000 0.799 396 E CB -0.145 29.579 29.700 0.040 0.000 0.748 396 E HN 0.643 nan 8.360 nan 0.000 0.449 397 S N -0.563 115.210 115.700 0.121 0.000 2.489 397 S HA 0.479 4.951 4.470 0.002 0.000 0.237 397 S C -0.149 174.605 174.600 0.256 0.000 1.220 397 S CA -0.657 57.648 58.200 0.175 0.000 1.231 397 S CB 0.364 63.693 63.200 0.216 0.000 0.900 397 S HN -0.083 nan 8.310 nan 0.000 0.492 398 S N 0.643 116.459 115.700 0.193 0.000 2.627 398 S HA 0.749 5.220 4.470 0.002 0.000 0.283 398 S C -1.152 173.527 174.600 0.133 0.000 1.127 398 S CA -0.818 57.510 58.200 0.214 0.000 0.863 398 S CB 1.394 64.737 63.200 0.239 0.000 1.121 398 S HN 0.533 nan 8.310 nan 0.000 0.479 399 L N 1.902 123.199 121.223 0.123 0.000 2.408 399 L HA 0.532 4.873 4.340 0.002 0.000 0.268 399 L C 0.725 177.645 176.870 0.084 0.000 0.986 399 L CA -0.672 54.219 54.840 0.086 0.000 0.820 399 L CB 1.535 43.631 42.059 0.061 0.000 1.303 399 L HN 0.682 nan 8.230 nan 0.000 0.411 400 I N 0.081 120.693 120.570 0.070 0.000 2.163 400 I HA -0.151 4.020 4.170 0.002 0.000 0.243 400 I C 0.499 176.650 176.117 0.057 0.000 1.085 400 I CA 1.618 62.957 61.300 0.064 0.000 1.347 400 I CB 0.033 38.065 38.000 0.055 0.000 1.044 400 I HN 0.636 nan 8.210 nan 0.000 0.408 401 D N -0.355 120.073 120.400 0.047 0.000 2.502 401 D HA 0.401 5.043 4.640 0.002 0.000 0.249 401 D C 0.485 176.805 176.300 0.033 0.000 1.092 401 D CA -0.205 53.817 54.000 0.037 0.000 0.839 401 D CB 2.124 42.941 40.800 0.029 0.000 1.264 401 D HN 0.062 nan 8.370 nan 0.000 0.511 402 A N 3.013 125.850 122.820 0.029 0.000 2.015 402 A HA 0.107 4.428 4.320 0.002 0.000 0.219 402 A C 1.307 178.896 177.584 0.008 0.000 1.163 402 A CA 1.254 53.300 52.037 0.016 0.000 0.646 402 A CB -0.140 18.864 19.000 0.007 0.000 0.806 402 A HN 0.548 nan 8.150 nan 0.000 0.448 403 A N 0.154 122.980 122.820 0.010 0.000 3.056 403 A HA 0.529 4.851 4.320 0.002 0.000 0.274 403 A C 0.327 177.918 177.584 0.011 0.000 1.661 403 A CA -0.063 51.978 52.037 0.007 0.000 1.363 403 A CB -0.338 18.665 19.000 0.005 0.000 1.139 403 A HN 0.274 nan 8.150 nan 0.000 0.598 404 K N 0.488 120.895 120.400 0.012 0.000 2.772 404 K HA 0.343 4.664 4.320 0.002 0.000 0.292 404 K C -3.270 173.338 176.600 0.014 0.000 1.049 404 K CA -0.883 55.412 56.287 0.014 0.000 0.846 404 K CB 1.477 33.988 32.500 0.019 0.000 1.514 404 K HN 0.336 nan 8.250 nan 0.000 0.373 405 P HA 0.333 nan 4.420 nan 0.000 0.281 405 P C -0.816 176.496 177.300 0.019 0.000 1.264 405 P CA -0.512 62.597 63.100 0.015 0.000 0.824 405 P CB 0.654 32.362 31.700 0.013 0.000 1.092 406 A N 1.130 123.962 122.820 0.020 0.000 3.052 406 A HA 0.102 4.423 4.320 0.002 0.000 0.266 406 A C 0.483 178.083 177.584 0.026 0.000 1.855 406 A CA 0.113 52.165 52.037 0.025 0.000 1.473 406 A CB -1.677 17.338 19.000 0.025 0.000 1.038 406 A HN 0.518 nan 8.150 nan 0.000 0.619 407 D N 0.545 120.960 120.400 0.026 0.000 2.511 407 D HA 0.586 5.228 4.640 0.002 0.000 0.276 407 D C 1.517 177.834 176.300 0.029 0.000 1.220 407 D CA 0.330 54.345 54.000 0.025 0.000 1.077 407 D CB 0.903 41.716 40.800 0.022 0.000 1.126 407 D HN 0.177 nan 8.370 nan 0.000 0.583 408 A N -0.055 122.781 122.820 0.026 0.000 1.877 408 A HA -0.146 4.176 4.320 0.002 0.000 0.216 408 A C 1.414 179.016 177.584 0.030 0.000 1.186 408 A CA 1.927 53.981 52.037 0.028 0.000 0.620 408 A CB -0.614 18.401 19.000 0.025 0.000 0.822 408 A HN 0.606 nan 8.150 nan 0.000 0.443 409 E N -0.800 119.417 120.200 0.028 0.000 2.476 409 E HA 0.117 4.469 4.350 0.002 0.000 0.196 409 E C 0.825 177.445 176.600 0.033 0.000 1.029 409 E CA 0.535 56.953 56.400 0.029 0.000 0.896 409 E CB -0.662 29.054 29.700 0.026 0.000 1.012 409 E HN 0.577 nan 8.360 nan 0.000 0.475 410 N N -0.078 118.642 118.700 0.034 0.000 2.282 410 N HA 0.088 4.830 4.740 0.002 0.000 0.185 410 N C -0.368 175.170 175.510 0.046 0.000 1.099 410 N CA 0.078 53.151 53.050 0.038 0.000 0.878 410 N CB 0.489 38.996 38.487 0.033 0.000 0.993 410 N HN -0.106 nan 8.380 nan 0.000 0.481 411 S N 0.212 115.939 115.700 0.045 0.000 2.642 411 S HA 0.658 5.129 4.470 0.002 0.000 0.309 411 S C 0.059 174.692 174.600 0.055 0.000 1.125 411 S CA -0.032 58.200 58.200 0.052 0.000 1.055 411 S CB 0.308 63.536 63.200 0.047 0.000 1.157 411 S HN 0.537 nan 8.310 nan 0.000 0.513 412 G N 2.437 111.276 108.800 0.066 0.000 2.367 412 G HA2 0.322 4.283 3.960 0.002 0.000 0.272 412 G HA3 0.322 4.283 3.960 0.002 0.000 0.272 412 G C -2.076 172.873 174.900 0.081 0.000 1.271 412 G CA -0.824 44.318 45.100 0.069 0.000 0.893 412 G HN 0.504 nan 8.290 nan 0.000 0.485 413 L N -0.011 121.261 121.223 0.082 0.000 2.309 413 L HA 0.668 5.010 4.340 0.002 0.000 0.261 413 L C -0.497 176.428 176.870 0.091 0.000 1.021 413 L CA -1.188 53.705 54.840 0.089 0.000 0.823 413 L CB 2.134 44.245 42.059 0.087 0.000 1.366 413 L HN 0.344 nan 8.230 nan 0.000 0.423 414 I N 1.461 122.084 120.570 0.089 0.000 2.359 414 I HA 0.475 4.647 4.170 0.002 0.000 0.294 414 I C 0.014 176.188 176.117 0.096 0.000 0.987 414 I CA -0.231 61.123 61.300 0.090 0.000 1.225 414 I CB 1.712 39.755 38.000 0.072 0.000 1.366 414 I HN 0.623 nan 8.210 nan 0.000 0.466 415 A N 7.559 130.454 122.820 0.125 0.000 2.291 415 A HA 0.603 4.924 4.320 0.002 0.000 0.311 415 A C -0.366 177.263 177.584 0.075 0.000 1.224 415 A CA -0.689 51.403 52.037 0.092 0.000 0.821 415 A CB 0.619 19.731 19.000 0.188 0.000 1.172 415 A HN 0.692 nan 8.150 nan 0.000 0.494 416 K N 1.549 121.912 120.400 -0.061 0.000 2.244 416 K HA 0.593 4.914 4.320 0.002 0.000 0.260 416 K C -1.612 174.776 176.600 -0.355 0.000 0.951 416 K CA -0.094 56.115 56.287 -0.128 0.000 0.826 416 K CB 1.674 34.115 32.500 -0.098 0.000 1.108 416 K HN 0.616 nan 8.250 nan 0.000 0.433 417 F N 3.166 122.746 119.950 -0.618 0.000 2.375 417 F HA 0.353 4.881 4.527 0.002 0.000 0.361 417 F C -0.536 174.783 175.800 -0.801 0.000 1.117 417 F CA -0.840 56.751 58.000 -0.681 0.000 1.037 417 F CB 0.792 39.115 39.000 -1.128 0.000 1.192 417 F HN 0.388 nan 8.300 nan 0.000 0.452 418 Y N 0.529 120.949 120.300 0.200 0.000 2.446 418 Y HA 0.279 4.830 4.550 0.002 0.000 0.338 418 Y C 1.098 177.403 175.900 0.674 0.000 1.055 418 Y CA -0.769 57.561 58.100 0.383 0.000 1.101 418 Y CB 1.919 40.501 38.460 0.204 0.000 1.221 418 Y HN 0.468 nan 8.280 nan 0.000 0.460 419 S N 0.034 116.202 115.700 0.780 0.000 2.496 419 S HA -0.004 4.467 4.470 0.002 0.000 0.224 419 S C 0.297 175.201 174.600 0.505 0.000 0.996 419 S CA 0.179 58.755 58.200 0.626 0.000 0.927 419 S CB -0.227 63.213 63.200 0.399 0.000 0.774 419 S HN 0.613 nan 8.310 nan 0.000 0.524 420 N N 1.516 120.406 118.700 0.317 0.000 2.370 420 N HA 0.324 5.066 4.740 0.002 0.000 0.303 420 N C -2.816 172.446 175.510 -0.412 0.000 1.103 420 N CA -1.711 51.325 53.050 -0.025 0.000 0.848 420 N CB 1.922 40.398 38.487 -0.018 0.000 1.235 420 N HN 0.023 nan 8.380 nan 0.000 0.496 421 P HA 0.015 nan 4.420 nan 0.000 0.288 421 P C -0.053 176.957 177.300 -0.484 0.000 1.291 421 P CA -0.253 62.196 63.100 -1.085 0.000 0.766 421 P CB 0.681 31.703 31.700 -1.131 0.000 1.242 432 F N -0.667 119.290 119.950 0.012 0.000 2.171 432 F HA 0.063 4.592 4.527 0.002 0.000 0.300 432 F C 0.812 176.653 175.800 0.068 0.000 1.090 432 F CA 0.733 58.784 58.000 0.084 0.000 1.293 432 F CB -0.322 38.768 39.000 0.151 0.000 1.013 432 F HN 0.309 nan 8.300 nan 0.000 0.486 433 H N -0.344 118.412 119.070 -0.523 0.000 2.806 433 H HA 0.661 5.219 4.556 0.003 0.000 0.367 433 H C -1.569 173.647 175.328 -0.187 0.000 1.136 433 H CA -1.389 54.430 56.048 -0.382 0.000 1.178 433 H CB 2.196 31.486 29.762 -0.787 0.000 1.718 433 H HN -0.119 nan 8.280 nan 0.000 0.540 434 V N 4.389 124.053 119.914 -0.417 0.000 2.482 434 V HA 0.463 4.584 4.120 0.002 0.000 0.295 434 V C -0.483 175.476 176.094 -0.225 0.000 1.026 434 V CA -0.595 61.600 62.300 -0.175 0.000 0.856 434 V CB 1.678 33.452 31.823 -0.082 0.000 1.001 434 V HN 0.903 nan 8.190 nan 0.000 0.424 435 T N 4.371 118.949 114.554 0.041 0.000 2.886 435 T HA 0.368 4.719 4.350 0.002 0.000 0.292 435 T C -0.544 174.265 174.700 0.182 0.000 1.012 435 T CA -0.653 61.518 62.100 0.119 0.000 0.982 435 T CB 1.896 70.954 68.868 0.317 0.000 1.018 435 T HN 0.632 nan 8.240 nan 0.000 0.451 436 K N 3.077 123.532 120.400 0.091 0.000 2.297 436 K HA 0.482 4.804 4.320 0.002 0.000 0.286 436 K C -0.980 175.661 176.600 0.069 0.000 1.053 436 K CA -0.365 55.971 56.287 0.081 0.000 0.940 436 K CB 0.486 33.014 32.500 0.046 0.000 1.019 436 K HN 0.358 nan 8.250 nan 0.000 0.475 437 V N 5.471 125.445 119.914 0.100 0.000 2.384 437 V HA 0.201 4.322 4.120 0.002 0.000 0.287 437 V C 0.438 176.566 176.094 0.058 0.000 1.020 437 V CA -0.791 61.566 62.300 0.095 0.000 0.850 437 V CB 1.357 33.291 31.823 0.185 0.000 0.987 437 V HN 0.860 nan 8.190 nan 0.000 0.436 438 N N 3.522 122.240 118.700 0.029 0.000 2.332 438 N HA 0.125 4.867 4.740 0.002 0.000 0.190 438 N C 0.404 175.927 175.510 0.023 0.000 1.117 438 N CA -0.152 52.916 53.050 0.029 0.000 0.883 438 N CB 0.981 39.481 38.487 0.022 0.000 1.089 438 N HN 0.513 nan 8.380 nan 0.000 0.480 439 R N 0.784 121.294 120.500 0.016 0.000 2.294 439 R HA 0.367 4.709 4.340 0.002 0.000 0.319 439 R C 0.512 176.809 176.300 -0.006 0.000 0.984 439 R CA -0.235 55.871 56.100 0.010 0.000 0.861 439 R CB 1.475 31.784 30.300 0.015 0.000 1.104 439 R HN -0.072 nan 8.270 nan 0.000 0.451 440 S N 1.473 117.156 115.700 -0.029 0.000 2.442 440 S HA -0.107 4.365 4.470 0.002 0.000 0.236 440 S C 0.864 175.388 174.600 -0.126 0.000 1.007 440 S CA 0.956 59.111 58.200 -0.075 0.000 0.965 440 S CB -0.184 62.974 63.200 -0.069 0.000 0.773 440 S HN 0.498 nan 8.310 nan 0.000 0.504 441 N N 1.976 120.638 118.700 -0.064 0.000 2.420 441 N HA 0.166 4.908 4.740 0.002 0.000 0.249 441 N C -1.278 174.208 175.510 -0.040 0.000 1.033 441 N CA 0.053 53.080 53.050 -0.038 0.000 0.944 441 N CB 1.085 39.586 38.487 0.023 0.000 1.113 441 N HN -0.095 nan 8.380 nan 0.000 0.502 442 V N 4.414 124.193 119.914 -0.225 0.000 2.304 442 V HA 0.099 4.221 4.120 0.002 0.000 0.269 442 V C -0.077 175.970 176.094 -0.078 0.000 1.036 442 V CA -0.702 61.463 62.300 -0.225 0.000 0.840 442 V CB -0.033 31.241 31.823 -0.916 0.000 1.036 442 V HN 0.585 nan 8.190 nan 0.000 0.466 443 H N 4.877 123.995 119.070 0.080 0.000 2.685 443 H HA 0.465 5.023 4.556 0.002 0.000 0.286 443 H C 0.397 175.849 175.328 0.207 0.000 1.102 443 H CA -0.356 55.718 56.048 0.042 0.000 1.254 443 H CB 0.953 30.663 29.762 -0.085 0.000 1.397 443 H HN 0.597 nan 8.280 nan 0.000 0.473 444 L N 5.125 126.321 121.223 -0.045 0.000 2.653 444 L HA 0.033 4.375 4.340 0.002 0.000 0.231 444 L C 1.346 178.367 176.870 0.252 0.000 1.153 444 L CA -0.123 54.833 54.840 0.194 0.000 0.933 444 L CB -0.290 41.925 42.059 0.260 0.000 1.175 444 L HN 0.572 nan 8.230 nan 0.000 0.473 445 F N 2.229 122.114 119.950 -0.109 0.000 2.126 445 F HA -0.250 4.278 4.527 0.002 0.000 0.299 445 F C 1.749 177.541 175.800 -0.013 0.000 1.096 445 F CA 1.890 59.873 58.000 -0.028 0.000 1.255 445 F CB 0.088 39.054 39.000 -0.056 0.000 0.997 445 F HN 0.332 nan 8.300 nan 0.000 0.479 446 D N -0.921 119.441 120.400 -0.063 0.000 2.559 446 D HA 0.004 4.646 4.640 0.002 0.000 0.234 446 D C -0.064 176.258 176.300 0.036 0.000 1.226 446 D CA -0.578 53.117 54.000 -0.510 0.000 0.830 446 D CB -1.690 38.844 40.800 -0.445 0.000 1.028 446 D HN 0.177 nan 8.370 nan 0.000 0.492 447 F N 2.179 122.180 119.950 0.085 0.000 2.557 447 F HA 0.175 4.703 4.527 0.002 0.000 0.384 447 F C 0.606 176.462 175.800 0.094 0.000 1.057 447 F CA -0.129 57.949 58.000 0.131 0.000 1.169 447 F CB 0.451 39.524 39.000 0.122 0.000 1.070 447 F HN -0.204 nan 8.300 nan 0.000 0.554 448 K N 5.513 125.585 120.400 -0.546 0.000 2.118 448 K HA 0.358 4.679 4.320 0.002 0.000 0.254 448 K C -1.291 174.911 176.600 -0.663 0.000 0.961 448 K CA -0.682 55.383 56.287 -0.370 0.000 0.876 448 K CB 0.779 33.195 32.500 -0.139 0.000 1.077 448 K HN 0.805 nan 8.250 nan 0.000 0.440 449 H N 1.816 120.641 119.070 -0.408 0.000 3.153 449 H HA -0.002 4.555 4.556 0.002 0.000 0.323 449 H C -0.227 175.013 175.328 -0.148 0.000 1.096 449 H CA -0.202 55.655 56.048 -0.318 0.000 1.385 449 H CB 1.407 31.019 29.762 -0.250 0.000 2.027 449 H HN 0.795 nan 8.280 nan 0.000 0.499 450 E N 2.461 122.330 120.200 -0.552 0.000 2.233 450 E HA -0.226 4.125 4.350 0.002 0.000 0.210 450 E C 0.615 177.088 176.600 -0.212 0.000 1.046 450 E CA 1.615 57.798 56.400 -0.363 0.000 0.844 450 E CB 0.168 29.631 29.700 -0.395 0.000 0.741 450 E HN 0.391 nan 8.360 nan 0.000 0.465 451 K N 0.207 120.518 120.400 -0.149 0.000 2.593 451 K HA 0.270 4.592 4.320 0.002 0.000 0.208 451 K C -0.655 175.829 176.600 -0.194 0.000 1.051 451 K CA -0.072 56.139 56.287 -0.126 0.000 1.111 451 K CB 1.130 33.523 32.500 -0.178 0.000 0.849 451 K HN -0.047 nan 8.250 nan 0.000 0.479 452 V N 1.454 121.346 119.914 -0.036 0.000 2.540 452 V HA 0.120 4.242 4.120 0.002 0.000 0.302 452 V C -0.783 175.371 176.094 0.099 0.000 1.035 452 V CA -1.074 61.270 62.300 0.073 0.000 0.873 452 V CB 2.272 34.217 31.823 0.202 0.000 0.992 452 V HN 0.143 nan 8.190 nan 0.000 0.428 453 D N 6.530 127.008 120.400 0.130 0.000 2.339 453 D HA 0.289 4.931 4.640 0.002 0.000 0.256 453 D C -1.515 174.871 176.300 0.142 0.000 1.214 453 D CA -1.645 52.418 54.000 0.104 0.000 0.877 453 D CB 1.918 42.767 40.800 0.082 0.000 1.111 453 D HN 0.200 nan 8.370 nan 0.000 0.478 454 P HA -0.166 nan 4.420 nan 0.000 0.216 454 P C 0.808 178.188 177.300 0.133 0.000 1.150 454 P CA 1.378 64.569 63.100 0.152 0.000 0.843 454 P CB 0.219 31.979 31.700 0.100 0.000 0.787 455 K N -1.710 118.735 120.400 0.075 0.000 2.217 455 K HA -0.057 4.265 4.320 0.002 0.000 0.202 455 K C 0.626 177.261 176.600 0.059 0.000 1.051 455 K CA 0.799 57.114 56.287 0.046 0.000 0.952 455 K CB -0.226 32.276 32.500 0.004 0.000 0.736 455 K HN 0.059 nan 8.250 nan 0.000 0.453 456 N N 0.236 118.990 118.700 0.089 0.000 2.675 456 N HA 0.129 4.870 4.740 0.002 0.000 0.254 456 N C -2.970 172.651 175.510 0.186 0.000 1.224 456 N CA -1.888 51.226 53.050 0.107 0.000 0.777 456 N CB 1.246 39.767 38.487 0.057 0.000 1.256 456 N HN -0.231 nan 8.380 nan 0.000 0.531 457 P HA 0.137 nan 4.420 nan 0.000 0.247 457 P C -1.285 176.157 177.300 0.237 0.000 1.756 457 P CA -0.014 63.284 63.100 0.331 0.000 1.117 457 P CB -0.705 31.221 31.700 0.377 0.000 1.869 458 Y N 5.724 126.111 120.300 0.145 0.000 2.504 458 Y HA 0.488 5.039 4.550 0.002 0.000 0.339 458 Y C -0.402 175.604 175.900 0.177 0.000 0.974 458 Y CA -0.460 57.639 58.100 -0.001 0.000 1.232 458 Y CB 0.209 38.693 38.460 0.040 0.000 1.108 458 Y HN 0.229 nan 8.280 nan 0.000 0.509 459 F N 2.643 122.480 119.950 -0.189 0.000 2.741 459 F HA 0.695 5.224 4.527 0.002 0.000 0.311 459 F C -2.334 173.254 175.800 -0.354 0.000 1.149 459 F CA -2.163 55.873 58.000 0.060 0.000 0.930 459 F CB 0.930 40.227 39.000 0.496 0.000 1.312 459 F HN 0.067 nan 8.300 nan 0.000 0.450 460 F N 0.762 120.887 119.950 0.291 0.000 2.556 460 F HA 0.812 5.341 4.527 0.003 0.000 0.327 460 F C -0.488 175.369 175.800 0.094 0.000 1.059 460 F CA -1.350 56.670 58.000 0.033 0.000 0.953 460 F CB 2.304 41.302 39.000 -0.003 0.000 1.227 460 F HN 0.386 nan 8.300 nan 0.000 0.478 461 V N 0.783 120.755 119.914 0.096 0.000 2.588 461 V HA 0.436 4.557 4.120 0.002 0.000 0.304 461 V C -0.621 175.433 176.094 -0.067 0.000 1.042 461 V CA -0.798 61.411 62.300 -0.152 0.000 0.877 461 V CB 1.873 33.466 31.823 -0.382 0.000 0.996 461 V HN 0.771 nan 8.190 nan 0.000 0.425 462 T N 5.984 120.532 114.554 -0.010 0.000 2.749 462 T HA 0.606 4.958 4.350 0.002 0.000 0.287 462 T C -0.605 174.096 174.700 0.001 0.000 0.970 462 T CA -0.163 61.960 62.100 0.039 0.000 0.980 462 T CB 1.092 70.061 68.868 0.168 0.000 0.924 462 T HN 0.405 nan 8.240 nan 0.000 0.456 463 L N 4.801 126.029 121.223 0.008 0.000 2.313 463 L HA 0.740 5.082 4.340 0.002 0.000 0.283 463 L C 0.080 176.987 176.870 0.062 0.000 1.013 463 L CA 0.047 54.917 54.840 0.050 0.000 0.816 463 L CB 1.439 43.565 42.059 0.111 0.000 1.236 463 L HN 0.834 nan 8.230 nan 0.000 0.419 464 T N 1.262 115.861 114.554 0.075 0.000 2.883 464 T HA 1.011 5.363 4.350 0.002 0.000 0.301 464 T C -0.262 174.493 174.700 0.093 0.000 1.158 464 T CA -0.281 61.869 62.100 0.083 0.000 1.007 464 T CB 1.816 70.729 68.868 0.074 0.000 1.186 464 T HN 1.217 nan 8.240 nan 0.000 0.499 465 G N 0.524 109.386 108.800 0.104 0.000 2.362 465 G HA2 0.426 4.387 3.960 0.002 0.000 0.288 465 G HA3 0.426 4.387 3.960 0.002 0.000 0.288 465 G C -2.253 172.731 174.900 0.139 0.000 1.305 465 G CA -0.921 44.245 45.100 0.110 0.000 0.910 465 G HN 0.891 nan 8.290 nan 0.000 0.518 466 Q N -1.093 118.797 119.800 0.150 0.000 2.413 466 Q HA 0.633 4.975 4.340 0.002 0.000 0.276 466 Q C -1.800 174.353 176.000 0.256 0.000 1.099 466 Q CA -0.947 54.965 55.803 0.182 0.000 0.814 466 Q CB 3.269 32.078 28.738 0.117 0.000 1.379 466 Q HN 0.671 nan 8.270 nan 0.000 0.436 467 Y N 0.194 120.590 120.300 0.160 0.000 2.391 467 Y HA 0.516 5.067 4.550 0.003 0.000 0.341 467 Y C -1.614 174.396 175.900 0.184 0.000 0.965 467 Y CA -0.795 57.403 58.100 0.163 0.000 1.067 467 Y CB 1.557 40.134 38.460 0.194 0.000 1.199 467 Y HN 0.396 nan 8.280 nan 0.000 0.450 468 V N 8.426 127.960 119.914 -0.633 0.000 2.409 468 V HA 0.419 4.541 4.120 0.002 0.000 0.290 468 V C -2.473 173.232 176.094 -0.648 0.000 1.017 468 V CA -1.671 60.365 62.300 -0.441 0.000 0.841 468 V CB 1.496 33.207 31.823 -0.186 0.000 1.003 468 V HN 0.667 nan 8.190 nan 0.000 0.426 469 P HA 0.284 nan 4.420 nan 0.000 0.293 469 P C -0.100 177.176 177.300 -0.040 0.000 1.313 469 P CA -0.451 62.460 63.100 -0.316 0.000 0.787 469 P CB 1.166 32.637 31.700 -0.382 0.000 0.910 470 Q N 1.402 121.224 119.800 0.037 0.000 2.387 470 Q HA 0.136 4.477 4.340 0.002 0.000 0.211 470 Q C 0.090 176.158 176.000 0.113 0.000 0.952 470 Q CA 0.616 56.457 55.803 0.064 0.000 0.957 470 Q CB 0.249 29.020 28.738 0.056 0.000 1.002 470 Q HN 0.590 nan 8.270 nan 0.000 0.502 471 E N 0.145 120.453 120.200 0.180 0.000 2.437 471 E HA 0.310 4.661 4.350 0.002 0.000 0.280 471 E C -1.554 175.188 176.600 0.237 0.000 1.044 471 E CA -0.703 55.807 56.400 0.185 0.000 0.826 471 E CB 1.260 31.059 29.700 0.165 0.000 1.358 471 E HN -0.102 nan 8.360 nan 0.000 0.459 472 D N -0.033 120.467 120.400 0.166 0.000 2.381 472 D HA 0.641 5.283 4.640 0.002 0.000 0.235 472 D C -0.322 176.056 176.300 0.131 0.000 1.068 472 D CA 0.382 54.478 54.000 0.160 0.000 0.832 472 D CB 1.599 42.462 40.800 0.106 0.000 1.101 472 D HN 0.645 nan 8.370 nan 0.000 0.515 473 G N 1.836 110.738 108.800 0.170 0.000 2.323 473 G HA2 0.160 4.122 3.960 0.002 0.000 0.291 473 G HA3 0.160 4.122 3.960 0.002 0.000 0.291 473 G C -1.628 173.350 174.900 0.130 0.000 1.278 473 G CA -0.930 44.226 45.100 0.094 0.000 0.860 473 G HN 0.304 nan 8.290 nan 0.000 0.504 474 D N 0.061 120.490 120.400 0.048 0.000 2.424 474 D HA 0.444 5.085 4.640 0.002 0.000 0.244 474 D C -0.943 175.352 176.300 -0.007 0.000 1.134 474 D CA 0.610 54.649 54.000 0.064 0.000 0.881 474 D CB 0.840 41.658 40.800 0.029 0.000 1.191 474 D HN 0.262 nan 8.370 nan 0.000 0.445 475 Y N 0.276 120.567 120.300 -0.015 0.000 2.341 475 Y HA 0.368 4.919 4.550 0.002 0.000 0.338 475 Y C 0.308 176.123 175.900 -0.142 0.000 0.965 475 Y CA -0.870 57.156 58.100 -0.124 0.000 1.108 475 Y CB 1.367 39.686 38.460 -0.235 0.000 1.180 475 Y HN 0.171 nan 8.280 nan 0.000 0.458 476 I N 5.109 125.634 120.570 -0.076 0.000 2.312 476 I HA 0.182 4.353 4.170 0.002 0.000 0.291 476 I C -0.643 175.374 176.117 -0.167 0.000 1.031 476 I CA -0.089 61.182 61.300 -0.048 0.000 1.293 476 I CB 0.243 38.227 38.000 -0.026 0.000 1.403 476 I HN 0.401 nan 8.210 nan 0.000 0.484 477 F N 3.931 123.866 119.950 -0.024 0.000 2.408 477 F HA 0.502 5.030 4.527 0.002 0.000 0.325 477 F C 0.656 176.477 175.800 0.034 0.000 1.082 477 F CA -0.235 57.754 58.000 -0.018 0.000 1.032 477 F CB 1.851 40.761 39.000 -0.150 0.000 1.259 477 F HN 0.435 nan 8.300 nan 0.000 0.503 478 S N 2.297 118.206 115.700 0.348 0.000 2.548 478 S HA 0.743 5.215 4.470 0.002 0.000 0.276 478 S C -1.857 172.868 174.600 0.209 0.000 1.129 478 S CA -0.724 57.592 58.200 0.193 0.000 0.931 478 S CB 1.701 64.929 63.200 0.047 0.000 1.068 478 S HN 0.583 nan 8.310 nan 0.000 0.480 479 L N 2.027 123.327 121.223 0.129 0.000 2.386 479 L HA 0.676 5.017 4.340 0.002 0.000 0.271 479 L C -0.933 175.879 176.870 -0.096 0.000 0.993 479 L CA -0.073 54.776 54.840 0.016 0.000 0.819 479 L CB 1.897 44.001 42.059 0.074 0.000 1.294 479 L HN 0.962 nan 8.230 nan 0.000 0.414 480 Q N 3.531 123.185 119.800 -0.244 0.000 2.315 480 Q HA 0.791 5.133 4.340 0.002 0.000 0.273 480 Q C -1.659 173.990 176.000 -0.586 0.000 1.053 480 Q CA -0.766 54.754 55.803 -0.472 0.000 0.817 480 Q CB 3.091 31.360 28.738 -0.782 0.000 1.326 480 Q HN 0.600 nan 8.270 nan 0.000 0.423 481 V N -0.880 118.843 119.914 -0.317 0.000 3.087 481 V HA 0.588 4.710 4.120 0.002 0.000 0.306 481 V C -1.927 174.400 176.094 0.389 0.000 1.187 481 V CA -0.872 61.467 62.300 0.064 0.000 0.999 481 V CB 2.069 33.986 31.823 0.157 0.000 1.049 481 V HN 0.808 nan 8.190 nan 0.000 0.431 482 Y N 2.422 122.967 120.300 0.408 0.000 2.555 482 Y HA 0.796 5.347 4.550 0.003 0.000 0.326 482 Y C 0.470 176.489 175.900 0.198 0.000 0.984 482 Y CA 0.836 59.104 58.100 0.280 0.000 1.298 482 Y CB 0.927 39.542 38.460 0.258 0.000 1.094 482 Y HN 1.620 nan 8.280 nan 0.000 0.500 483 G N 2.119 110.750 108.800 -0.280 0.000 2.254 483 G HA2 0.055 4.016 3.960 0.002 0.000 0.193 483 G HA3 0.055 4.016 3.960 0.002 0.000 0.193 483 G C -1.216 173.496 174.900 -0.313 0.000 1.233 483 G CA -0.291 44.568 45.100 -0.401 0.000 1.290 483 G HN 0.697 nan 8.290 nan 0.000 0.517 484 S N -0.551 114.899 115.700 -0.418 0.000 2.549 484 S HA 0.802 5.274 4.470 0.002 0.000 0.280 484 S C -0.161 174.320 174.600 -0.199 0.000 1.109 484 S CA 0.648 58.689 58.200 -0.265 0.000 0.905 484 S CB 1.495 64.540 63.200 -0.257 0.000 1.081 484 S HN 2.138 nan 8.310 nan 0.000 0.477 485 G N 2.257 111.003 108.800 -0.089 0.000 2.706 485 G HA2 0.660 4.622 3.960 0.002 0.000 0.297 485 G HA3 0.660 4.622 3.960 0.002 0.000 0.297 485 G C -2.112 172.762 174.900 -0.043 0.000 1.403 485 G CA -0.547 44.518 45.100 -0.058 0.000 0.954 485 G HN 0.686 nan 8.290 nan 0.000 0.500 486 L N 1.331 122.534 121.223 -0.034 0.000 2.385 486 L HA 0.541 4.882 4.340 0.002 0.000 0.273 486 L C -1.071 175.795 176.870 -0.006 0.000 0.990 486 L CA -0.693 54.108 54.840 -0.065 0.000 0.821 486 L CB 2.752 44.768 42.059 -0.071 0.000 1.279 486 L HN 0.566 nan 8.230 nan 0.000 0.412 487 F N 3.626 123.411 119.950 -0.274 0.000 2.403 487 F HA 0.500 5.028 4.527 0.003 0.000 0.355 487 F C -1.082 174.543 175.800 -0.292 0.000 1.119 487 F CA -0.748 57.145 58.000 -0.179 0.000 1.007 487 F CB 0.792 39.714 39.000 -0.131 0.000 1.194 487 F HN 0.366 nan 8.300 nan 0.000 0.443 488 Y N 6.187 126.652 120.300 0.275 0.000 2.335 488 Y HA 0.392 4.944 4.550 0.003 0.000 0.338 488 Y C -0.614 175.248 175.900 -0.064 0.000 0.977 488 Y CA -1.306 56.799 58.100 0.008 0.000 1.114 488 Y CB 1.533 40.004 38.460 0.017 0.000 1.182 488 Y HN 0.402 nan 8.280 nan 0.000 0.463 489 L N 5.576 126.699 121.223 -0.166 0.000 2.268 489 L HA 0.402 4.743 4.340 0.002 0.000 0.289 489 L C -0.226 176.635 176.870 -0.015 0.000 1.064 489 L CA -0.030 54.699 54.840 -0.185 0.000 0.824 489 L CB -0.339 41.401 42.059 -0.531 0.000 1.202 489 L HN 0.782 nan 8.230 nan 0.000 0.433 490 N N 3.419 122.155 118.700 0.060 0.000 2.862 490 N HA -0.202 4.540 4.740 0.002 0.000 0.248 490 N C -0.223 175.308 175.510 0.036 0.000 1.116 490 N CA 1.000 54.085 53.050 0.059 0.000 0.727 490 N CB -1.113 37.417 38.487 0.072 0.000 1.083 490 N HN 0.864 nan 8.380 nan 0.000 0.555 491 D N -1.499 118.921 120.400 0.033 0.000 3.059 491 D HA -0.202 4.440 4.640 0.002 0.000 0.220 491 D C -0.475 175.875 176.300 0.085 0.000 1.169 491 D CA 1.203 55.172 54.000 -0.052 0.000 0.902 491 D CB -0.882 39.850 40.800 -0.113 0.000 1.116 491 D HN 0.638 nan 8.370 nan 0.000 0.417 492 E N 0.364 120.665 120.200 0.167 0.000 2.151 492 E HA 0.352 4.704 4.350 0.002 0.000 0.275 492 E C 0.057 176.764 176.600 0.177 0.000 0.936 492 E CA -1.012 55.485 56.400 0.161 0.000 0.777 492 E CB 1.845 31.571 29.700 0.043 0.000 1.108 492 E HN -0.003 nan 8.360 nan 0.000 0.401 493 L N 5.192 126.489 121.223 0.122 0.000 2.562 493 L HA 0.007 4.348 4.340 0.002 0.000 0.271 493 L C 0.377 177.113 176.870 -0.223 0.000 1.167 493 L CA 0.869 55.556 54.840 -0.255 0.000 0.917 493 L CB -0.017 41.886 42.059 -0.261 0.000 1.187 493 L HN 0.718 nan 8.230 nan 0.000 0.482 494 I N 3.236 123.621 120.570 -0.308 0.000 3.718 494 I HA 0.402 4.573 4.170 0.002 0.000 0.297 494 I C 0.233 176.209 176.117 -0.235 0.000 1.220 494 I CA 0.207 61.327 61.300 -0.299 0.000 1.381 494 I CB 0.375 38.098 38.000 -0.461 0.000 1.238 494 I HN 0.374 nan 8.210 nan 0.000 0.448 495 I N 2.000 122.450 120.570 -0.201 0.000 2.478 495 I HA 0.323 4.494 4.170 0.002 0.000 0.287 495 I C -1.523 174.563 176.117 -0.051 0.000 1.042 495 I CA -0.537 60.727 61.300 -0.061 0.000 1.067 495 I CB 1.837 39.886 38.000 0.082 0.000 1.233 495 I HN 0.047 nan 8.210 nan 0.000 0.431 496 D N 6.300 126.674 120.400 -0.044 0.000 2.412 496 D HA 0.232 4.874 4.640 0.002 0.000 0.224 496 D C -0.310 175.993 176.300 0.005 0.000 1.093 496 D CA -0.099 53.885 54.000 -0.027 0.000 0.850 496 D CB 0.957 41.744 40.800 -0.022 0.000 1.046 496 D HN 0.274 nan 8.370 nan 0.000 0.507 497 Q N 3.256 123.055 119.800 -0.001 0.000 2.354 497 Q HA 0.152 4.493 4.340 0.002 0.000 0.372 497 Q C 0.397 176.379 176.000 -0.030 0.000 0.923 497 Q CA -0.097 55.700 55.803 -0.009 0.000 1.123 497 Q CB 1.227 29.956 28.738 -0.016 0.000 1.298 497 Q HN 0.508 nan 8.270 nan 0.000 0.419 498 K N -0.546 119.848 120.400 -0.010 0.000 2.362 498 K HA 0.094 4.415 4.320 0.002 0.000 0.203 498 K C -0.323 176.179 176.600 -0.163 0.000 1.198 498 K CA 0.223 56.456 56.287 -0.091 0.000 0.908 498 K CB 0.619 33.083 32.500 -0.060 0.000 1.236 498 K HN 0.214 nan 8.250 nan 0.000 0.487 499 H N 1.058 120.103 119.070 -0.042 0.000 2.517 499 H HA 0.259 4.817 4.556 0.003 0.000 0.317 499 H C -0.862 174.448 175.328 -0.029 0.000 1.080 499 H CA 0.190 56.218 56.048 -0.033 0.000 1.301 499 H CB 0.763 30.507 29.762 -0.031 0.000 1.425 499 H HN 0.259 nan 8.280 nan 0.000 0.471 500 N N 2.399 121.130 118.700 0.051 0.000 2.714 500 N HA -0.242 4.499 4.740 0.002 0.000 0.253 500 N C -0.736 174.782 175.510 0.014 0.000 1.024 500 N CA -0.054 53.014 53.050 0.029 0.000 0.726 500 N CB -0.511 38.002 38.487 0.043 0.000 0.908 500 N HN 0.672 nan 8.380 nan 0.000 0.542 501 Q N 0.657 120.454 119.800 -0.005 0.000 2.386 501 Q HA 0.055 4.396 4.340 0.002 0.000 0.282 501 Q C 0.269 176.272 176.000 0.004 0.000 1.050 501 Q CA 0.594 56.395 55.803 -0.005 0.000 0.918 501 Q CB 0.691 29.416 28.738 -0.022 0.000 1.266 501 Q HN 0.323 nan 8.270 nan 0.000 0.423 502 E N 1.414 121.622 120.200 0.012 0.000 2.264 502 E HA 0.409 4.761 4.350 0.002 0.000 0.260 502 E C -0.584 176.032 176.600 0.027 0.000 0.961 502 E CA -1.011 55.399 56.400 0.016 0.000 0.834 502 E CB 1.415 31.124 29.700 0.015 0.000 1.230 502 E HN 0.263 nan 8.360 nan 0.000 0.412 503 R N 0.744 121.259 120.500 0.025 0.000 2.207 503 R HA 0.492 4.834 4.340 0.002 0.000 0.334 503 R C -0.243 176.067 176.300 0.017 0.000 1.013 503 R CA -0.114 56.006 56.100 0.033 0.000 0.858 503 R CB 1.306 31.623 30.300 0.029 0.000 1.094 503 R HN 0.707 nan 8.270 nan 0.000 0.457 504 G N -0.050 108.765 108.800 0.025 0.000 3.086 504 G HA2 0.150 4.112 3.960 0.002 0.000 0.282 504 G HA3 0.150 4.112 3.960 0.002 0.000 0.282 504 G C 0.106 174.985 174.900 -0.035 0.000 1.343 504 G CA -0.383 44.710 45.100 -0.013 0.000 0.895 504 G HN 0.402 nan 8.290 nan 0.000 0.557 505 S N -0.684 114.955 115.700 -0.102 0.000 2.561 505 S HA 0.136 4.608 4.470 0.002 0.000 0.225 505 S C 0.575 175.171 174.600 -0.005 0.000 0.977 505 S CA -0.103 57.952 58.200 -0.242 0.000 0.926 505 S CB -0.241 62.713 63.200 -0.409 0.000 0.769 505 S HN 0.347 nan 8.310 nan 0.000 0.533 506 F N 1.580 121.501 119.950 -0.049 0.000 2.553 506 F HA 0.151 4.680 4.527 0.003 0.000 0.356 506 F C 1.041 176.831 175.800 -0.015 0.000 1.142 506 F CA -0.870 57.117 58.000 -0.022 0.000 1.322 506 F CB 0.115 39.115 39.000 -0.000 0.000 1.126 506 F HN 0.118 nan 8.300 nan 0.000 0.599 507 C N 6.809 125.521 119.300 -0.980 0.000 4.067 507 C HA -0.259 4.203 4.460 0.002 0.000 0.305 507 C C 0.283 175.108 174.990 -0.274 0.000 1.305 507 C CA 0.333 58.916 59.018 -0.724 0.000 2.111 507 C CB -3.141 24.249 27.740 -0.583 0.000 1.339 507 C HN 0.956 nan 8.230 nan 0.000 0.668 508 F N -1.868 118.021 119.950 -0.102 0.000 3.091 508 F HA -0.179 4.350 4.527 0.003 0.000 0.288 508 F C 1.378 177.255 175.800 0.128 0.000 0.907 508 F CA 2.062 60.089 58.000 0.044 0.000 1.028 508 F CB -1.594 37.376 39.000 -0.051 0.000 1.022 508 F HN 1.505 nan 8.300 nan 0.000 0.665 509 G N -1.538 107.408 108.800 0.242 0.000 2.179 509 G HA2 -0.076 3.886 3.960 0.002 0.000 0.260 509 G HA3 -0.076 3.886 3.960 0.002 0.000 0.260 509 G C 1.008 175.955 174.900 0.078 0.000 0.977 509 G CA 0.593 45.752 45.100 0.100 0.000 0.641 509 G HN 1.503 nan 8.290 nan 0.000 0.533 510 A N -0.100 122.766 122.820 0.077 0.000 2.044 510 A HA 0.652 4.973 4.320 0.002 0.000 0.213 510 A C 1.984 179.776 177.584 0.347 0.000 1.169 510 A CA 1.776 53.890 52.037 0.129 0.000 0.724 510 A CB -0.299 18.659 19.000 -0.071 0.000 0.840 510 A HN 1.632 nan 8.150 nan 0.000 0.463 511 G N -0.380 108.626 108.800 0.343 0.000 2.546 511 G HA2 0.403 4.365 3.960 0.002 0.000 0.239 511 G HA3 0.403 4.365 3.960 0.002 0.000 0.239 511 G C 0.315 175.398 174.900 0.304 0.000 1.476 511 G CA 0.520 45.939 45.100 0.532 0.000 1.064 511 G HN 0.485 nan 8.290 nan 0.000 0.561 512 T N -1.348 113.361 114.554 0.258 0.000 2.928 512 T HA 0.496 4.847 4.350 0.002 0.000 0.284 512 T C 0.075 174.826 174.700 0.085 0.000 1.008 512 T CA -0.696 61.474 62.100 0.117 0.000 1.057 512 T CB 1.767 70.665 68.868 0.050 0.000 1.018 512 T HN 0.386 nan 8.240 nan 0.000 0.493 513 K N 0.945 121.371 120.400 0.044 0.000 2.440 513 K HA 0.023 4.345 4.320 0.002 0.000 0.270 513 K C 0.544 177.147 176.600 0.005 0.000 0.980 513 K CA 0.077 56.376 56.287 0.021 0.000 0.953 513 K CB 0.356 32.865 32.500 0.015 0.000 0.925 513 K HN 0.677 nan 8.250 nan 0.000 0.497 514 E N 2.440 122.639 120.200 -0.001 0.000 2.324 514 E HA -0.015 4.336 4.350 0.002 0.000 0.271 514 E C -0.702 175.901 176.600 0.006 0.000 1.028 514 E CA 0.008 56.401 56.400 -0.011 0.000 0.890 514 E CB 0.592 30.289 29.700 -0.004 0.000 1.004 514 E HN 0.256 nan 8.360 nan 0.000 0.431 515 R N 2.571 123.075 120.500 0.007 0.000 2.494 515 R HA 0.327 4.668 4.340 0.002 0.000 0.305 515 R C -0.498 175.828 176.300 0.043 0.000 0.959 515 R CA -0.531 55.582 56.100 0.022 0.000 0.864 515 R CB 1.939 32.249 30.300 0.016 0.000 1.159 515 R HN 0.630 nan 8.270 nan 0.000 0.446 516 T N -0.773 113.807 114.554 0.044 0.000 2.901 516 T HA 0.594 4.945 4.350 0.002 0.000 0.293 516 T C -0.854 173.875 174.700 0.048 0.000 1.084 516 T CA -0.993 61.146 62.100 0.065 0.000 1.008 516 T CB 2.317 71.221 68.868 0.060 0.000 1.170 516 T HN 0.290 nan 8.240 nan 0.000 0.509 517 K N 0.980 121.421 120.400 0.070 0.000 2.637 517 K HA 0.454 4.776 4.320 0.002 0.000 0.248 517 K C -1.152 175.511 176.600 0.104 0.000 0.971 517 K CA -0.575 55.736 56.287 0.040 0.000 0.858 517 K CB 1.533 34.002 32.500 -0.052 0.000 1.170 517 K HN 0.710 nan 8.250 nan 0.000 0.443 518 K N 4.428 124.873 120.400 0.075 0.000 2.383 518 K HA 0.352 4.674 4.320 0.002 0.000 0.286 518 K C -0.882 175.773 176.600 0.093 0.000 1.051 518 K CA 0.075 56.414 56.287 0.088 0.000 0.974 518 K CB 0.222 32.757 32.500 0.057 0.000 0.968 518 K HN 0.579 nan 8.250 nan 0.000 0.475 519 L N 2.936 124.247 121.223 0.146 0.000 2.350 519 L HA 0.442 4.783 4.340 0.002 0.000 0.260 519 L C -0.459 176.494 176.870 0.139 0.000 1.015 519 L CA -1.116 53.796 54.840 0.120 0.000 0.821 519 L CB 2.575 44.695 42.059 0.101 0.000 1.370 519 L HN 0.582 nan 8.230 nan 0.000 0.416 520 T N 2.641 117.259 114.554 0.108 0.000 2.744 520 T HA 0.619 4.971 4.350 0.002 0.000 0.291 520 T C -0.337 174.446 174.700 0.138 0.000 0.957 520 T CA -0.333 61.844 62.100 0.129 0.000 1.002 520 T CB 0.897 69.826 68.868 0.102 0.000 0.919 520 T HN 0.098 nan 8.240 nan 0.000 0.468 521 L N 2.655 123.985 121.223 0.178 0.000 2.286 521 L HA 0.720 5.061 4.340 0.002 0.000 0.265 521 L C -0.075 176.947 176.870 0.253 0.000 1.012 521 L CA -0.989 53.955 54.840 0.174 0.000 0.818 521 L CB 1.513 43.519 42.059 -0.087 0.000 1.337 521 L HN 0.318 nan 8.230 nan 0.000 0.438 522 K N 0.882 121.489 120.400 0.345 0.000 2.323 522 K HA 0.331 4.652 4.320 0.002 0.000 0.259 522 K C -0.751 175.952 176.600 0.172 0.000 0.947 522 K CA -0.615 55.798 56.287 0.212 0.000 0.819 522 K CB 1.214 33.799 32.500 0.143 0.000 1.109 522 K HN 0.291 nan 8.250 nan 0.000 0.429 523 K N 1.876 122.351 120.400 0.125 0.000 2.504 523 K HA -0.020 4.301 4.320 0.002 0.000 0.278 523 K C 0.550 177.176 176.600 0.043 0.000 1.025 523 K CA 1.719 58.059 56.287 0.088 0.000 1.093 523 K CB -0.071 32.477 32.500 0.079 0.000 0.873 523 K HN 0.853 nan 8.250 nan 0.000 0.483 524 G N 2.724 111.533 108.800 0.014 0.000 2.234 524 G HA2 -0.346 3.616 3.960 0.002 0.000 0.260 524 G HA3 -0.346 3.616 3.960 0.002 0.000 0.260 524 G C 0.161 175.030 174.900 -0.052 0.000 0.987 524 G CA 0.537 45.625 45.100 -0.020 0.000 0.625 524 G HN 0.670 nan 8.290 nan 0.000 0.532 525 Q N 0.708 120.475 119.800 -0.056 0.000 2.332 525 Q HA 0.471 4.813 4.340 0.002 0.000 0.263 525 Q C 0.377 176.181 176.000 -0.327 0.000 0.979 525 Q CA -0.347 55.325 55.803 -0.218 0.000 0.885 525 Q CB 0.861 29.400 28.738 -0.331 0.000 1.218 525 Q HN 0.259 nan 8.270 nan 0.000 0.405 526 V N 5.335 125.058 119.914 -0.319 0.000 2.530 526 V HA 0.171 4.292 4.120 0.002 0.000 0.282 526 V C -0.748 175.133 176.094 -0.354 0.000 1.048 526 V CA -0.005 62.169 62.300 -0.211 0.000 0.997 526 V CB 0.074 31.836 31.823 -0.102 0.000 0.987 526 V HN 0.642 nan 8.190 nan 0.000 0.477 527 Y N 2.363 122.693 120.300 0.049 0.000 2.499 527 Y HA 0.458 5.009 4.550 0.003 0.000 0.347 527 Y C 0.417 176.376 175.900 0.098 0.000 0.987 527 Y CA -1.028 57.118 58.100 0.076 0.000 1.044 527 Y CB 1.686 40.222 38.460 0.127 0.000 1.245 527 Y HN 0.500 nan 8.280 nan 0.000 0.461 528 N N 1.951 120.787 118.700 0.225 0.000 2.426 528 N HA 0.390 5.132 4.740 0.002 0.000 0.275 528 N C -1.214 174.404 175.510 0.180 0.000 1.019 528 N CA -0.344 52.804 53.050 0.164 0.000 0.941 528 N CB 2.164 40.709 38.487 0.098 0.000 1.123 528 N HN 0.459 nan 8.380 nan 0.000 0.486 529 V N 0.834 120.871 119.914 0.205 0.000 2.347 529 V HA 0.550 4.671 4.120 0.002 0.000 0.280 529 V C 0.071 176.294 176.094 0.214 0.000 1.021 529 V CA -0.773 61.686 62.300 0.265 0.000 0.847 529 V CB 1.129 33.139 31.823 0.311 0.000 0.990 529 V HN 0.540 nan 8.190 nan 0.000 0.444 530 R N 3.731 124.391 120.500 0.267 0.000 2.451 530 R HA 0.731 5.072 4.340 0.002 0.000 0.307 530 R C -1.763 174.696 176.300 0.265 0.000 0.965 530 R CA -0.504 55.718 56.100 0.202 0.000 0.865 530 R CB 2.269 32.637 30.300 0.114 0.000 1.174 530 R HN 0.722 nan 8.270 nan 0.000 0.455 531 V N 4.328 124.291 119.914 0.082 0.000 2.417 531 V HA 0.278 4.399 4.120 0.002 0.000 0.291 531 V C -0.409 175.676 176.094 -0.015 0.000 1.024 531 V CA -0.656 61.632 62.300 -0.020 0.000 0.861 531 V CB 1.837 33.530 31.823 -0.217 0.000 0.985 531 V HN 0.629 nan 8.190 nan 0.000 0.436 532 E N 4.516 124.736 120.200 0.034 0.000 2.073 532 E HA 0.274 4.625 4.350 0.002 0.000 0.269 532 E C -1.379 175.188 176.600 -0.055 0.000 0.917 532 E CA -0.391 56.020 56.400 0.019 0.000 0.757 532 E CB 2.098 31.863 29.700 0.108 0.000 1.111 532 E HN 0.625 nan 8.360 nan 0.000 0.410 533 Y N 1.104 121.215 120.300 -0.315 0.000 2.352 533 Y HA 0.547 5.098 4.550 0.002 0.000 0.339 533 Y C 0.085 175.810 175.900 -0.291 0.000 0.992 533 Y CA -0.808 57.001 58.100 -0.485 0.000 1.100 533 Y CB 1.626 39.394 38.460 -1.154 0.000 1.192 533 Y HN 0.467 nan 8.280 nan 0.000 0.458 534 G N 4.195 112.445 108.800 -0.917 0.000 2.322 534 G HA2 0.405 4.367 3.960 0.002 0.000 0.309 534 G HA3 0.405 4.367 3.960 0.002 0.000 0.309 534 G C -0.408 173.353 174.900 -1.899 0.000 1.121 534 G CA -0.302 44.010 45.100 -1.313 0.000 0.886 534 G HN 0.904 nan 8.290 nan 0.000 0.447 535 S N 1.631 116.273 115.700 -1.763 0.000 2.598 535 S HA 0.282 4.754 4.470 0.002 0.000 0.256 535 S C 1.979 176.088 174.600 -0.818 0.000 1.350 535 S CA 0.444 57.906 58.200 -1.230 0.000 0.984 535 S CB 0.685 63.024 63.200 -1.434 0.000 0.930 535 S HN 1.042 nan 8.310 nan 0.000 0.577 536 G N 1.185 109.721 108.800 -0.439 0.000 2.491 536 G HA2 -0.139 3.823 3.960 0.002 0.000 0.218 536 G HA3 -0.139 3.823 3.960 0.002 0.000 0.218 536 G C -0.889 173.805 174.900 -0.344 0.000 1.180 536 G CA 0.962 45.837 45.100 -0.374 0.000 0.774 536 G HN 0.695 nan 8.290 nan 0.000 0.562 537 P HA -0.061 nan 4.420 nan 0.000 0.223 537 P C 2.163 179.414 177.300 -0.082 0.000 1.144 537 P CA 1.869 64.919 63.100 -0.082 0.000 0.783 537 P CB -0.235 31.528 31.700 0.105 0.000 0.771 538 T N -3.978 110.308 114.554 -0.447 0.000 2.904 538 T HA -0.022 4.330 4.350 0.002 0.000 0.267 538 T C 1.118 175.709 174.700 -0.182 0.000 1.059 538 T CA 0.692 62.493 62.100 -0.499 0.000 1.137 538 T CB -0.742 67.463 68.868 -1.105 0.000 0.879 538 T HN 0.178 nan 8.240 nan 0.000 0.467 547 A N 0.501 123.496 122.820 0.292 0.000 1.917 547 A HA 0.429 4.750 4.320 0.002 0.000 0.219 547 A C 2.239 179.979 177.584 0.261 0.000 1.182 547 A CA 3.002 55.200 52.037 0.270 0.000 0.633 547 A CB -0.793 18.495 19.000 0.481 0.000 0.819 547 A HN 2.895 nan 8.150 nan 0.000 0.448 548 G N -2.895 106.102 108.800 0.329 0.000 2.594 548 G HA2 0.446 4.408 3.960 0.002 0.000 0.217 548 G HA3 0.446 4.408 3.960 0.002 0.000 0.217 548 G C 0.629 175.649 174.900 0.200 0.000 1.163 548 G CA 0.171 45.510 45.100 0.399 0.000 1.074 548 G HN 2.398 nan 8.290 nan 0.000 0.589 549 G N -1.699 107.304 108.800 0.338 0.000 2.313 549 G HA2 0.766 4.728 3.960 0.002 0.000 0.296 549 G HA3 0.766 4.728 3.960 0.002 0.000 0.296 549 G C -0.997 174.089 174.900 0.309 0.000 1.356 549 G CA 0.281 45.481 45.100 0.166 0.000 0.833 549 G HN 2.296 nan 8.290 nan 0.000 0.552 550 F N -1.902 117.978 119.950 -0.117 0.000 2.693 550 F HA 0.870 5.398 4.527 0.002 0.000 0.309 550 F C -1.079 174.600 175.800 -0.203 0.000 1.129 550 F CA -1.134 56.715 58.000 -0.252 0.000 0.948 550 F CB 2.184 40.810 39.000 -0.624 0.000 1.315 550 F HN 0.695 nan 8.300 nan 0.000 0.447 551 Q N 2.316 121.898 119.800 -0.364 0.000 2.275 551 Q HA 0.771 5.112 4.340 0.002 0.000 0.266 551 Q C -1.951 173.915 176.000 -0.224 0.000 1.002 551 Q CA -0.774 54.838 55.803 -0.318 0.000 0.761 551 Q CB 2.113 30.706 28.738 -0.242 0.000 1.255 551 Q HN 1.170 nan 8.270 nan 0.000 0.446 552 A N 2.564 125.269 122.820 -0.192 0.000 2.317 552 A HA 0.967 5.289 4.320 0.002 0.000 0.327 552 A C -0.300 177.210 177.584 -0.123 0.000 1.178 552 A CA 0.055 51.958 52.037 -0.224 0.000 0.817 552 A CB 1.503 20.212 19.000 -0.484 0.000 1.189 552 A HN 0.805 nan 8.150 nan 0.000 0.489 553 G N -0.817 107.979 108.800 -0.006 0.000 2.695 553 G HA2 0.661 4.623 3.960 0.002 0.000 0.290 553 G HA3 0.661 4.623 3.960 0.002 0.000 0.290 553 G C -1.705 173.210 174.900 0.026 0.000 1.410 553 G CA -0.235 44.855 45.100 -0.018 0.000 0.844 553 G HN 1.698 nan 8.290 nan 0.000 0.478 554 V N 0.167 119.976 119.914 -0.174 0.000 2.932 554 V HA 0.850 4.971 4.120 0.002 0.000 0.307 554 V C -1.508 174.396 176.094 -0.315 0.000 1.147 554 V CA -0.785 61.256 62.300 -0.433 0.000 0.951 554 V CB 1.786 33.076 31.823 -0.888 0.000 1.031 554 V HN 0.911 nan 8.190 nan 0.000 0.426 555 I N 3.914 124.306 120.570 -0.296 0.000 2.802 555 I HA 0.539 4.710 4.170 0.002 0.000 0.298 555 I C -0.698 175.301 176.117 -0.198 0.000 1.176 555 I CA -1.010 60.157 61.300 -0.222 0.000 1.025 555 I CB 2.161 39.913 38.000 -0.413 0.000 1.243 555 I HN 0.778 nan 8.210 nan 0.000 0.424 556 K N 5.546 125.806 120.400 -0.233 0.000 2.412 556 K HA 0.455 4.776 4.320 0.002 0.000 0.284 556 K C -0.342 176.111 176.600 -0.244 0.000 1.046 556 K CA 0.126 56.023 56.287 -0.650 0.000 0.999 556 K CB 0.807 33.069 32.500 -0.397 0.000 0.941 556 K HN 0.557 nan 8.250 nan 0.000 0.474 557 A N 4.899 127.541 122.820 -0.298 0.000 2.386 557 A HA 0.489 4.810 4.320 0.002 0.000 0.248 557 A C 0.039 177.611 177.584 -0.020 0.000 1.082 557 A CA -0.309 51.700 52.037 -0.046 0.000 0.789 557 A CB -0.247 18.722 19.000 -0.051 0.000 1.025 557 A HN 0.879 nan 8.150 nan 0.000 0.490 558 I N -1.825 118.765 120.570 0.034 0.000 2.934 558 I HA 0.496 4.668 4.170 0.002 0.000 0.306 558 I C -0.845 175.250 176.117 -0.035 0.000 1.110 558 I CA -0.978 60.292 61.300 -0.049 0.000 1.019 558 I CB 2.123 40.016 38.000 -0.178 0.000 1.227 558 I HN 0.413 nan 8.210 nan 0.000 0.434 559 D N 3.119 123.491 120.400 -0.047 0.000 2.344 559 D HA 0.094 4.736 4.640 0.002 0.000 0.253 559 D C 0.339 176.610 176.300 -0.049 0.000 1.255 559 D CA 0.519 54.499 54.000 -0.033 0.000 0.894 559 D CB 1.084 41.866 40.800 -0.030 0.000 1.067 559 D HN 0.667 nan 8.370 nan 0.000 0.492 560 D N 1.900 122.281 120.400 -0.031 0.000 2.117 560 D HA -0.125 4.516 4.640 0.002 0.000 0.198 560 D C 1.224 177.500 176.300 -0.040 0.000 0.982 560 D CA 0.850 54.826 54.000 -0.040 0.000 0.828 560 D CB 0.442 41.238 40.800 -0.006 0.000 0.967 560 D HN 0.428 nan 8.370 nan 0.000 0.464 561 D N -0.027 120.358 120.400 -0.024 0.000 2.117 561 D HA -0.156 4.486 4.640 0.002 0.000 0.198 561 D C 1.970 178.251 176.300 -0.032 0.000 0.982 561 D CA 0.854 54.840 54.000 -0.022 0.000 0.828 561 D CB -0.114 40.679 40.800 -0.011 0.000 0.967 561 D HN 0.256 nan 8.370 nan 0.000 0.464 562 E N 1.318 121.497 120.200 -0.035 0.000 2.077 562 E HA -0.214 4.138 4.350 0.002 0.000 0.193 562 E C 1.824 178.391 176.600 -0.056 0.000 0.989 562 E CA 1.305 57.682 56.400 -0.038 0.000 0.800 562 E CB -0.121 29.559 29.700 -0.033 0.000 0.746 562 E HN -0.084 nan 8.360 nan 0.000 0.452 563 E N 0.211 120.365 120.200 -0.076 0.000 2.204 563 E HA -0.109 4.242 4.350 0.002 0.000 0.195 563 E C 1.793 178.330 176.600 -0.105 0.000 0.990 563 E CA 1.131 57.466 56.400 -0.108 0.000 0.821 563 E CB -0.241 29.364 29.700 -0.159 0.000 0.750 563 E HN 0.526 nan 8.360 nan 0.000 0.477 564 I N -0.173 120.348 120.570 -0.081 0.000 2.110 564 I HA -0.260 3.911 4.170 0.002 0.000 0.236 564 I C 2.507 178.585 176.117 -0.065 0.000 1.068 564 I CA 1.072 62.329 61.300 -0.072 0.000 1.333 564 I CB -0.335 37.635 38.000 -0.051 0.000 1.054 564 I HN -0.001 nan 8.210 nan 0.000 0.402 565 R N 0.695 121.166 120.500 -0.049 0.000 2.143 565 R HA -0.295 4.046 4.340 0.002 0.000 0.239 565 R C 2.196 178.470 176.300 -0.043 0.000 1.126 565 R CA 2.483 58.559 56.100 -0.040 0.000 0.927 565 R CB -0.988 29.294 30.300 -0.030 0.000 0.860 565 R HN 0.352 nan 8.270 nan 0.000 0.433 566 N N 0.103 118.774 118.700 -0.049 0.000 2.049 566 N HA -0.258 4.484 4.740 0.002 0.000 0.198 566 N C 1.651 177.126 175.510 -0.059 0.000 1.030 566 N CA 2.351 55.371 53.050 -0.049 0.000 0.870 566 N CB -0.314 38.138 38.487 -0.059 0.000 1.045 566 N HN 0.333 nan 8.380 nan 0.000 0.434 567 A N 0.040 122.808 122.820 -0.087 0.000 1.883 567 A HA -0.001 4.321 4.320 0.002 0.000 0.217 567 A C 2.387 179.925 177.584 -0.078 0.000 1.186 567 A CA 2.225 54.200 52.037 -0.104 0.000 0.624 567 A CB -1.403 17.517 19.000 -0.135 0.000 0.822 567 A HN 0.505 nan 8.150 nan 0.000 0.444 568 A N -0.267 122.513 122.820 -0.065 0.000 1.908 568 A HA -0.219 4.103 4.320 0.002 0.000 0.218 568 A C 1.941 179.507 177.584 -0.029 0.000 1.181 568 A CA 1.879 53.885 52.037 -0.052 0.000 0.627 568 A CB -0.544 18.428 19.000 -0.046 0.000 0.818 568 A HN 0.666 nan 8.150 nan 0.000 0.445 569 E N -0.411 119.777 120.200 -0.020 0.000 2.046 569 E HA -0.047 4.304 4.350 0.002 0.000 0.190 569 E C 1.993 178.608 176.600 0.025 0.000 0.982 569 E CA 0.806 57.206 56.400 -0.001 0.000 0.800 569 E CB -0.249 29.449 29.700 -0.003 0.000 0.756 569 E HN 0.576 nan 8.360 nan 0.000 0.449 570 L N 0.775 122.014 121.223 0.026 0.000 2.042 570 L HA -0.237 4.105 4.340 0.002 0.000 0.210 570 L C 2.538 179.496 176.870 0.147 0.000 1.076 570 L CA 1.081 55.973 54.840 0.087 0.000 0.749 570 L CB -0.409 41.668 42.059 0.030 0.000 0.893 570 L HN 0.182 nan 8.230 nan 0.000 0.432 571 A N -0.332 122.505 122.820 0.029 0.000 1.940 571 A HA -0.198 4.124 4.320 0.002 0.000 0.219 571 A C 2.441 180.073 177.584 0.080 0.000 1.176 571 A CA 1.736 53.782 52.037 0.015 0.000 0.631 571 A CB -0.619 18.352 19.000 -0.048 0.000 0.814 571 A HN 0.453 nan 8.150 nan 0.000 0.446 572 A N -0.310 122.545 122.820 0.058 0.000 2.014 572 A HA -0.048 4.273 4.320 0.002 0.000 0.218 572 A C 1.805 179.415 177.584 0.043 0.000 1.163 572 A CA 1.367 53.425 52.037 0.036 0.000 0.652 572 A CB -0.266 18.741 19.000 0.013 0.000 0.808 572 A HN 0.514 nan 8.150 nan 0.000 0.449 573 K N -0.097 120.344 120.400 0.068 0.000 2.504 573 K HA 0.164 4.485 4.320 0.002 0.000 0.199 573 K C -0.746 175.761 176.600 -0.156 0.000 1.028 573 K CA 0.022 56.291 56.287 -0.029 0.000 1.164 573 K CB -0.031 32.431 32.500 -0.063 0.000 0.877 573 K HN 0.602 nan 8.250 nan 0.000 0.508 574 H N -0.726 118.339 119.070 -0.008 0.000 2.797 574 H HA 0.131 4.688 4.556 0.003 0.000 0.372 574 H C 0.298 175.622 175.328 -0.007 0.000 1.168 574 H CA -0.780 55.266 56.048 -0.003 0.000 1.163 574 H CB 1.583 31.346 29.762 0.001 0.000 1.778 574 H HN -0.126 nan 8.280 nan 0.000 0.551 575 D N 1.065 121.531 120.400 0.110 0.000 2.084 575 D HA -0.075 4.567 4.640 0.002 0.000 0.194 575 D C -0.202 176.130 176.300 0.052 0.000 0.990 575 D CA 1.587 55.621 54.000 0.056 0.000 0.826 575 D CB 0.263 41.090 40.800 0.045 0.000 0.971 575 D HN 0.321 nan 8.370 nan 0.000 0.453 576 K N -0.676 119.765 120.400 0.068 0.000 2.468 576 K HA 0.682 5.003 4.320 0.002 0.000 0.252 576 K C -1.241 175.359 176.600 -0.000 0.000 0.932 576 K CA -0.580 55.719 56.287 0.020 0.000 0.794 576 K CB 3.084 35.582 32.500 -0.003 0.000 1.241 576 K HN -0.026 nan 8.250 nan 0.000 0.428 577 A N 1.894 124.688 122.820 -0.043 0.000 2.305 577 A HA 0.583 4.904 4.320 0.002 0.000 0.322 577 A C -0.698 176.837 177.584 -0.082 0.000 1.187 577 A CA -0.651 51.336 52.037 -0.085 0.000 0.825 577 A CB 0.831 19.771 19.000 -0.101 0.000 1.164 577 A HN 0.405 nan 8.150 nan 0.000 0.498 578 V N 3.640 123.511 119.914 -0.071 0.000 2.311 578 V HA 0.238 4.359 4.120 0.002 0.000 0.275 578 V C -0.614 175.451 176.094 -0.047 0.000 1.022 578 V CA -0.404 61.863 62.300 -0.056 0.000 0.830 578 V CB 0.862 32.667 31.823 -0.030 0.000 1.012 578 V HN 0.715 nan 8.190 nan 0.000 0.452 579 L N 7.307 128.485 121.223 -0.075 0.000 2.270 579 L HA 0.494 4.836 4.340 0.002 0.000 0.286 579 L C -0.187 176.662 176.870 -0.036 0.000 1.059 579 L CA -0.137 54.656 54.840 -0.078 0.000 0.839 579 L CB 0.606 42.576 42.059 -0.148 0.000 1.221 579 L HN 0.382 nan 8.230 nan 0.000 0.431 580 I N 6.780 127.362 120.570 0.020 0.000 2.312 580 I HA 0.339 4.511 4.170 0.002 0.000 0.291 580 I C 0.422 176.592 176.117 0.088 0.000 1.031 580 I CA -0.163 61.175 61.300 0.064 0.000 1.293 580 I CB 0.195 38.263 38.000 0.114 0.000 1.403 580 I HN 0.546 nan 8.210 nan 0.000 0.484 581 I N 2.397 123.029 120.570 0.104 0.000 3.466 581 I HA 1.070 5.242 4.170 0.002 0.000 0.311 581 I C 0.310 176.532 176.117 0.175 0.000 1.155 581 I CA -0.759 60.628 61.300 0.144 0.000 0.959 581 I CB 2.309 40.410 38.000 0.168 0.000 1.332 581 I HN 0.624 nan 8.210 nan 0.000 0.483 582 G N 0.507 109.419 108.800 0.186 0.000 2.250 582 G HA2 0.110 4.072 3.960 0.002 0.000 0.252 582 G HA3 0.110 4.072 3.960 0.002 0.000 0.252 582 G C -1.308 173.689 174.900 0.161 0.000 1.325 582 G CA -0.499 44.710 45.100 0.181 0.000 1.091 582 G HN 0.734 nan 8.290 nan 0.000 0.476 583 L N 0.662 122.018 121.223 0.221 0.000 2.693 583 L HA 0.771 5.113 4.340 0.002 0.000 0.253 583 L C 0.550 177.707 176.870 0.480 0.000 1.155 583 L CA -0.673 54.348 54.840 0.302 0.000 1.026 583 L CB 1.525 43.759 42.059 0.292 0.000 1.817 583 L HN 1.045 nan 8.230 nan 0.000 0.556 584 N N -2.208 116.801 118.700 0.515 0.000 3.364 584 N HA 0.184 4.926 4.740 0.002 0.000 0.294 584 N C -0.055 175.447 175.510 -0.013 0.000 1.562 584 N CA -0.257 52.908 53.050 0.193 0.000 0.862 584 N CB 0.552 39.133 38.487 0.157 0.000 1.691 584 N HN 0.451 nan 8.380 nan 0.000 0.572 585 G N -1.352 107.275 108.800 -0.289 0.000 3.155 585 G HA2 0.048 4.009 3.960 0.002 0.000 0.213 585 G HA3 0.048 4.009 3.960 0.002 0.000 0.213 585 G C 0.160 174.931 174.900 -0.216 0.000 1.196 585 G CA 0.108 44.990 45.100 -0.362 0.000 0.846 585 G HN 0.611 nan 8.290 nan 0.000 0.516 586 E N -0.987 119.124 120.200 -0.149 0.000 2.330 586 E HA 0.016 4.367 4.350 0.002 0.000 0.200 586 E C 1.668 178.203 176.600 -0.109 0.000 0.922 586 E CA -0.332 55.967 56.400 -0.169 0.000 0.935 586 E CB 0.063 29.619 29.700 -0.240 0.000 0.917 586 E HN 0.621 nan 8.360 nan 0.000 0.491 587 W N 2.329 123.683 121.300 0.089 0.000 2.388 587 W HA -0.034 4.628 4.660 0.002 0.000 0.294 587 W C 0.867 177.451 176.519 0.108 0.000 1.212 587 W CA 0.371 57.799 57.345 0.139 0.000 1.271 587 W CB 0.339 29.876 29.460 0.128 0.000 1.126 587 W HN -0.144 nan 8.180 nan 0.000 0.535 588 E N 0.329 120.665 120.200 0.228 0.000 2.186 588 E HA 0.327 4.679 4.350 0.002 0.000 0.255 588 E C -0.720 175.853 176.600 -0.046 0.000 0.881 588 E CA -0.148 56.340 56.400 0.148 0.000 0.752 588 E CB 1.862 31.692 29.700 0.218 0.000 1.176 588 E HN -0.338 nan 8.360 nan 0.000 0.421 589 T N 1.616 116.163 114.554 -0.012 0.000 2.942 589 T HA 0.067 4.419 4.350 0.002 0.000 0.327 589 T C -1.204 173.520 174.700 0.039 0.000 1.360 589 T CA -0.764 61.320 62.100 -0.027 0.000 1.055 589 T CB 1.446 70.154 68.868 -0.265 0.000 1.261 589 T HN 0.551 nan 8.240 nan 0.000 0.485 590 E N 1.634 121.967 120.200 0.222 0.000 2.653 590 E HA 0.281 4.633 4.350 0.002 0.000 0.264 590 E C 1.207 177.935 176.600 0.212 0.000 0.949 590 E CA 1.713 58.234 56.400 0.202 0.000 0.953 590 E CB -0.298 29.565 29.700 0.272 0.000 0.925 590 E HN 1.093 nan 8.360 nan 0.000 0.475 591 G N 2.975 111.857 108.800 0.137 0.000 2.278 591 G HA2 -0.249 3.713 3.960 0.002 0.000 0.210 591 G HA3 -0.249 3.713 3.960 0.002 0.000 0.210 591 G C -0.637 174.420 174.900 0.263 0.000 1.000 591 G CA 0.122 45.367 45.100 0.241 0.000 0.635 591 G HN 0.926 nan 8.290 nan 0.000 0.495 592 Y N -0.838 119.566 120.300 0.173 0.000 2.702 592 Y HA 0.699 5.251 4.550 0.002 0.000 0.336 592 Y C -1.254 174.746 175.900 0.166 0.000 1.203 592 Y CA -1.401 56.782 58.100 0.138 0.000 1.072 592 Y CB 0.278 38.807 38.460 0.116 0.000 1.327 592 Y HN 0.009 nan 8.280 nan 0.000 0.456 593 D N 0.994 121.621 120.400 0.378 0.000 2.440 593 D HA 0.427 5.069 4.640 0.002 0.000 0.258 593 D C -0.575 175.961 176.300 0.393 0.000 1.092 593 D CA -0.748 53.450 54.000 0.330 0.000 1.016 593 D CB 1.357 42.351 40.800 0.324 0.000 1.141 593 D HN 0.521 nan 8.370 nan 0.000 0.552 594 R N 0.440 121.134 120.500 0.324 0.000 2.560 594 R HA 0.139 4.480 4.340 0.002 0.000 0.270 594 R C 1.145 177.585 176.300 0.233 0.000 1.074 594 R CA -0.275 56.003 56.100 0.296 0.000 1.140 594 R CB 0.977 31.404 30.300 0.211 0.000 1.073 594 R HN 0.449 nan 8.270 nan 0.000 0.527 595 E N 0.959 121.281 120.200 0.202 0.000 2.318 595 E HA -0.062 4.290 4.350 0.002 0.000 0.193 595 E C -0.176 176.486 176.600 0.103 0.000 0.998 595 E CA 0.609 57.094 56.400 0.143 0.000 0.859 595 E CB 0.096 29.873 29.700 0.128 0.000 0.812 595 E HN 0.566 nan 8.360 nan 0.000 0.492 596 N N -1.336 117.412 118.700 0.080 0.000 3.116 596 N HA 0.117 4.859 4.740 0.002 0.000 0.244 596 N C -0.507 174.989 175.510 -0.022 0.000 1.485 596 N CA -0.633 52.438 53.050 0.035 0.000 0.884 596 N CB 0.403 38.907 38.487 0.028 0.000 1.415 596 N HN -0.197 nan 8.380 nan 0.000 0.524 597 M N -0.100 119.460 119.600 -0.068 0.000 2.530 597 M HA 0.187 4.669 4.480 0.002 0.000 0.231 597 M C -0.875 175.319 176.300 -0.176 0.000 1.180 597 M CA -0.108 55.104 55.300 -0.145 0.000 0.985 597 M CB -0.240 32.249 32.600 -0.186 0.000 1.623 597 M HN 0.431 nan 8.290 nan 0.000 0.475 598 D N 1.251 121.566 120.400 -0.143 0.000 2.345 598 D HA 0.204 4.846 4.640 0.002 0.000 0.247 598 D C -0.148 176.031 176.300 -0.202 0.000 1.108 598 D CA 0.039 53.947 54.000 -0.152 0.000 0.894 598 D CB 1.040 41.772 40.800 -0.114 0.000 1.203 598 D HN 0.187 nan 8.370 nan 0.000 0.430 599 L N 3.084 124.216 121.223 -0.150 0.000 2.456 599 L HA 0.190 4.531 4.340 0.002 0.000 0.272 599 L C -1.912 174.844 176.870 -0.189 0.000 1.189 599 L CA -1.452 53.309 54.840 -0.132 0.000 0.846 599 L CB 0.057 42.140 42.059 0.040 0.000 1.111 599 L HN 0.146 nan 8.230 nan 0.000 0.475 600 P HA 0.234 nan 4.420 nan 0.000 0.276 600 P C -0.428 176.807 177.300 -0.110 0.000 1.230 600 P CA -0.405 62.471 63.100 -0.372 0.000 0.776 600 P CB 1.100 32.476 31.700 -0.539 0.000 0.888 601 K N 1.134 121.502 120.400 -0.053 0.000 1.957 601 K HA -0.275 4.047 4.320 0.002 0.000 0.155 601 K C 0.964 177.578 176.600 0.024 0.000 1.342 601 K CA 1.220 57.516 56.287 0.015 0.000 0.382 601 K CB -1.113 31.410 32.500 0.039 0.000 0.664 601 K HN 0.346 nan 8.250 nan 0.000 0.799 602 R N 1.024 121.545 120.500 0.036 0.000 2.388 602 R HA 0.117 4.458 4.340 0.002 0.000 0.247 602 R C 1.370 177.697 176.300 0.045 0.000 0.931 602 R CA 0.589 56.711 56.100 0.037 0.000 1.082 602 R CB 0.104 30.419 30.300 0.025 0.000 1.135 602 R HN 0.417 nan 8.270 nan 0.000 0.525 603 T N 1.134 115.724 114.554 0.059 0.000 2.624 603 T HA -0.180 4.172 4.350 0.002 0.000 0.268 603 T C 1.476 176.261 174.700 0.141 0.000 1.041 603 T CA 1.524 63.677 62.100 0.089 0.000 1.159 603 T CB -0.152 68.780 68.868 0.107 0.000 0.863 603 T HN 0.287 nan 8.240 nan 0.000 0.434 604 N N 0.706 119.526 118.700 0.200 0.000 2.166 604 N HA -0.083 4.658 4.740 0.002 0.000 0.186 604 N C 1.860 177.494 175.510 0.206 0.000 1.019 604 N CA 0.891 54.150 53.050 0.349 0.000 0.856 604 N CB -0.309 38.366 38.487 0.314 0.000 0.993 604 N HN 0.587 nan 8.380 nan 0.000 0.426 605 E N 0.142 120.408 120.200 0.110 0.000 2.208 605 E HA -0.113 4.239 4.350 0.002 0.000 0.193 605 E C 1.836 178.437 176.600 0.002 0.000 0.988 605 E CA 0.256 56.690 56.400 0.058 0.000 0.828 605 E CB 0.069 29.793 29.700 0.040 0.000 0.763 605 E HN 0.124 nan 8.360 nan 0.000 0.478 606 L N 0.302 121.515 121.223 -0.016 0.000 2.027 606 L HA -0.117 4.225 4.340 0.002 0.000 0.206 606 L C 2.181 178.971 176.870 -0.133 0.000 1.074 606 L CA 1.329 56.130 54.840 -0.066 0.000 0.745 606 L CB -0.456 41.566 42.059 -0.061 0.000 0.898 606 L HN -0.020 nan 8.230 nan 0.000 0.433 607 V N -0.101 119.692 119.914 -0.202 0.000 2.490 607 V HA -0.238 3.883 4.120 0.002 0.000 0.250 607 V C 2.765 178.624 176.094 -0.391 0.000 1.061 607 V CA 1.874 63.898 62.300 -0.460 0.000 1.064 607 V CB -0.758 30.478 31.823 -0.978 0.000 0.670 607 V HN 0.435 nan 8.190 nan 0.000 0.461 608 R N -0.264 120.121 120.500 -0.190 0.000 2.073 608 R HA -0.054 4.288 4.340 0.002 0.000 0.229 608 R C 2.465 178.724 176.300 -0.068 0.000 1.120 608 R CA 1.367 57.426 56.100 -0.068 0.000 0.967 608 R CB -0.477 29.854 30.300 0.052 0.000 0.862 608 R HN 0.527 nan 8.270 nan 0.000 0.436 609 A N 0.427 123.207 122.820 -0.066 0.000 1.877 609 A HA -0.125 4.196 4.320 0.002 0.000 0.216 609 A C 2.264 179.799 177.584 -0.081 0.000 1.186 609 A CA 1.451 53.452 52.037 -0.060 0.000 0.620 609 A CB -0.624 18.345 19.000 -0.051 0.000 0.822 609 A HN 0.140 nan 8.150 nan 0.000 0.443 610 V N -0.027 119.816 119.914 -0.118 0.000 2.407 610 V HA -0.217 3.905 4.120 0.002 0.000 0.248 610 V C 2.482 178.501 176.094 -0.125 0.000 1.055 610 V CA 1.767 63.992 62.300 -0.125 0.000 1.049 610 V CB -0.623 31.106 31.823 -0.156 0.000 0.662 610 V HN 0.548 nan 8.190 nan 0.000 0.455 611 L N -0.517 120.615 121.223 -0.152 0.000 2.217 611 L HA -0.100 4.242 4.340 0.002 0.000 0.211 611 L C 2.557 179.384 176.870 -0.072 0.000 1.107 611 L CA 1.298 56.060 54.840 -0.130 0.000 0.783 611 L CB -0.385 41.578 42.059 -0.159 0.000 0.919 611 L HN 0.288 nan 8.230 nan 0.000 0.442 612 K N 0.088 120.453 120.400 -0.058 0.000 2.137 612 K HA -0.064 4.257 4.320 0.002 0.000 0.202 612 K C 2.026 178.607 176.600 -0.030 0.000 1.052 612 K CA 1.073 57.341 56.287 -0.033 0.000 0.961 612 K CB 0.178 32.664 32.500 -0.023 0.000 0.741 612 K HN 0.234 nan 8.250 nan 0.000 0.452 613 A N 1.009 123.806 122.820 -0.037 0.000 1.898 613 A HA -0.038 4.284 4.320 0.002 0.000 0.214 613 A C 0.945 178.514 177.584 -0.025 0.000 1.183 613 A CA 0.850 52.871 52.037 -0.028 0.000 0.622 613 A CB -0.057 18.927 19.000 -0.028 0.000 0.824 613 A HN 0.249 nan 8.150 nan 0.000 0.444 614 N N -0.646 118.032 118.700 -0.036 0.000 2.623 614 N HA 0.343 5.085 4.740 0.002 0.000 0.256 614 N C -2.703 172.781 175.510 -0.044 0.000 1.045 614 N CA -1.947 51.084 53.050 -0.031 0.000 0.863 614 N CB 1.548 40.021 38.487 -0.023 0.000 1.182 614 N HN -0.144 nan 8.380 nan 0.000 0.523 615 P HA 0.019 nan 4.420 nan 0.000 0.228 615 P C -0.367 176.911 177.300 -0.037 0.000 1.151 615 P CA 0.834 63.913 63.100 -0.035 0.000 0.770 615 P CB 0.212 31.899 31.700 -0.021 0.000 0.786 616 N N 0.023 118.702 118.700 -0.034 0.000 3.229 616 N HA 0.137 4.878 4.740 0.002 0.000 0.275 616 N C -0.781 174.700 175.510 -0.048 0.000 1.225 616 N CA 0.322 53.352 53.050 -0.035 0.000 1.119 616 N CB -0.353 38.122 38.487 -0.021 0.000 1.392 616 N HN -0.046 nan 8.380 nan 0.000 0.520 617 T N -1.040 113.473 114.554 -0.069 0.000 2.886 617 T HA 0.332 4.683 4.350 0.002 0.000 0.292 617 T C -0.573 174.065 174.700 -0.103 0.000 1.012 617 T CA -0.618 61.427 62.100 -0.092 0.000 0.982 617 T CB 2.394 71.188 68.868 -0.123 0.000 1.018 617 T HN -0.037 nan 8.240 nan 0.000 0.451 618 V N 4.367 124.217 119.914 -0.106 0.000 2.394 618 V HA 0.590 4.712 4.120 0.002 0.000 0.282 618 V C -0.684 175.332 176.094 -0.129 0.000 1.031 618 V CA -0.881 61.351 62.300 -0.113 0.000 0.881 618 V CB 0.335 32.094 31.823 -0.107 0.000 0.982 618 V HN 0.814 nan 8.190 nan 0.000 0.451 619 I N 6.975 127.454 120.570 -0.153 0.000 2.331 619 I HA 0.393 4.565 4.170 0.002 0.000 0.292 619 I C -0.372 175.670 176.117 -0.126 0.000 0.998 619 I CA -0.477 60.729 61.300 -0.156 0.000 1.267 619 I CB 1.718 39.586 38.000 -0.221 0.000 1.386 619 I HN 0.300 nan 8.210 nan 0.000 0.476 620 V N 5.795 125.662 119.914 -0.078 0.000 2.357 620 V HA 0.267 4.388 4.120 0.002 0.000 0.284 620 V C -0.173 175.915 176.094 -0.010 0.000 1.018 620 V CA -0.663 61.600 62.300 -0.062 0.000 0.841 620 V CB 1.417 33.219 31.823 -0.034 0.000 0.991 620 V HN 0.707 nan 8.190 nan 0.000 0.437 621 N N 3.837 122.522 118.700 -0.024 0.000 2.421 621 N HA 0.400 5.141 4.740 0.002 0.000 0.285 621 N C -0.624 174.886 175.510 -0.000 0.000 1.027 621 N CA -0.409 52.683 53.050 0.070 0.000 0.918 621 N CB 1.236 39.855 38.487 0.221 0.000 1.152 621 N HN 0.685 nan 8.380 nan 0.000 0.485 622 Q N 1.721 121.554 119.800 0.056 0.000 2.368 622 Q HA 0.452 4.794 4.340 0.002 0.000 0.263 622 Q C -1.237 174.722 176.000 -0.069 0.000 1.009 622 Q CA -0.653 55.144 55.803 -0.010 0.000 0.818 622 Q CB 1.334 30.160 28.738 0.147 0.000 1.239 622 Q HN 0.734 nan 8.270 nan 0.000 0.464 623 S N -0.485 115.045 115.700 -0.285 0.000 2.565 623 S HA 0.590 5.062 4.470 0.002 0.000 0.269 623 S C 0.325 174.782 174.600 -0.239 0.000 1.153 623 S CA -0.522 57.527 58.200 -0.252 0.000 0.835 623 S CB 1.198 64.415 63.200 0.030 0.000 1.122 623 S HN 0.548 nan 8.310 nan 0.000 0.462 624 G N 0.367 109.169 108.800 0.004 0.000 2.744 624 G HA2 0.431 4.392 3.960 0.002 0.000 0.211 624 G HA3 0.431 4.392 3.960 0.002 0.000 0.211 624 G C 0.464 175.634 174.900 0.450 0.000 1.146 624 G CA 0.717 46.040 45.100 0.372 0.000 0.787 624 G HN 1.341 nan 8.290 nan 0.000 0.534 625 T N -3.020 111.681 114.554 0.245 0.000 2.787 625 T HA 0.604 4.955 4.350 0.002 0.000 0.297 625 T C -3.469 171.018 174.700 -0.356 0.000 1.221 625 T CA -1.820 60.316 62.100 0.060 0.000 1.006 625 T CB 2.319 71.215 68.868 0.045 0.000 1.328 625 T HN -0.213 nan 8.240 nan 0.000 0.509 626 P HA 0.426 nan 4.420 nan 0.000 0.271 626 P C -0.614 176.118 177.300 -0.945 0.000 1.218 626 P CA -0.519 61.548 63.100 -1.720 0.000 0.780 626 P CB 0.622 31.329 31.700 -1.656 0.000 0.901 627 V N -0.949 118.449 119.914 -0.860 0.000 2.864 627 V HA 0.513 4.634 4.120 0.002 0.000 0.314 627 V C -0.157 175.536 176.094 -0.669 0.000 1.073 627 V CA -1.115 60.854 62.300 -0.552 0.000 0.956 627 V CB 1.874 33.485 31.823 -0.353 0.000 1.023 627 V HN 0.437 nan 8.190 nan 0.000 0.435 628 E N 1.559 121.468 120.200 -0.485 0.000 2.338 628 E HA 0.334 4.686 4.350 0.002 0.000 0.272 628 E C -1.596 174.676 176.600 -0.548 0.000 1.029 628 E CA -0.484 55.669 56.400 -0.411 0.000 0.872 628 E CB 0.753 30.313 29.700 -0.232 0.000 1.015 628 E HN 0.635 nan 8.360 nan 0.000 0.417 629 F N 6.582 126.346 119.950 -0.310 0.000 2.300 629 F HA 0.268 4.797 4.527 0.002 0.000 0.364 629 F C -1.531 173.749 175.800 -0.866 0.000 1.090 629 F CA -2.447 54.980 58.000 -0.956 0.000 1.200 629 F CB 1.236 39.638 39.000 -0.997 0.000 1.493 629 F HN 0.425 nan 8.300 nan 0.000 0.518 630 P HA -0.114 nan 4.420 nan 0.000 0.226 630 P C 0.989 178.212 177.300 -0.129 0.000 1.153 630 P CA 1.079 64.022 63.100 -0.262 0.000 0.777 630 P CB -0.017 31.601 31.700 -0.137 0.000 0.794 631 W N -1.244 120.133 121.300 0.128 0.000 3.330 631 W HA 0.303 4.964 4.660 0.003 0.000 0.348 631 W C 0.866 177.437 176.519 0.086 0.000 1.205 631 W CA -0.750 56.645 57.345 0.083 0.000 1.841 631 W CB -1.034 28.463 29.460 0.062 0.000 1.084 631 W HN -0.189 nan 8.180 nan 0.000 0.665 632 L N 2.441 123.761 121.223 0.162 0.000 2.064 632 L HA -0.298 4.044 4.340 0.002 0.000 0.216 632 L C 2.478 179.490 176.870 0.237 0.000 1.077 632 L CA 2.488 57.461 54.840 0.223 0.000 0.766 632 L CB -0.971 41.175 42.059 0.146 0.000 0.890 632 L HN 0.066 nan 8.230 nan 0.000 0.435 633 E N -1.179 119.120 120.200 0.166 0.000 2.204 633 E HA -0.191 4.160 4.350 0.002 0.000 0.194 633 E C 1.344 178.012 176.600 0.113 0.000 0.989 633 E CA 1.237 57.701 56.400 0.106 0.000 0.824 633 E CB 0.020 29.753 29.700 0.056 0.000 0.756 633 E HN 0.567 nan 8.360 nan 0.000 0.477 634 D N -0.331 120.164 120.400 0.158 0.000 2.350 634 D HA 0.088 4.729 4.640 0.002 0.000 0.213 634 D C -0.342 176.010 176.300 0.086 0.000 1.031 634 D CA 0.295 54.361 54.000 0.110 0.000 0.861 634 D CB 0.482 41.344 40.800 0.104 0.000 0.926 634 D HN 0.126 nan 8.370 nan 0.000 0.520 635 A N 0.505 123.411 122.820 0.143 0.000 2.274 635 A HA 0.358 4.680 4.320 0.002 0.000 0.309 635 A C 0.684 178.296 177.584 0.046 0.000 1.226 635 A CA -0.511 51.564 52.037 0.065 0.000 0.853 635 A CB 0.421 19.495 19.000 0.123 0.000 1.146 635 A HN -0.025 nan 8.150 nan 0.000 0.518 636 N N 0.885 119.583 118.700 -0.002 0.000 2.388 636 N HA 0.287 5.029 4.740 0.002 0.000 0.176 636 N C 0.210 175.715 175.510 -0.010 0.000 1.062 636 N CA 0.705 53.757 53.050 0.002 0.000 0.895 636 N CB 0.408 38.889 38.487 -0.009 0.000 1.018 636 N HN 0.728 nan 8.380 nan 0.000 0.456 637 A N 1.053 123.849 122.820 -0.040 0.000 2.353 637 A HA 0.637 4.959 4.320 0.002 0.000 0.299 637 A C -1.680 175.843 177.584 -0.101 0.000 1.089 637 A CA -0.391 51.611 52.037 -0.058 0.000 0.736 637 A CB 1.010 19.974 19.000 -0.060 0.000 1.195 637 A HN 0.118 nan 8.150 nan 0.000 0.447 638 L N 3.212 124.356 121.223 -0.131 0.000 2.476 638 L HA 0.764 5.106 4.340 0.002 0.000 0.269 638 L C -1.718 174.985 176.870 -0.280 0.000 0.965 638 L CA -0.294 54.413 54.840 -0.222 0.000 0.845 638 L CB 2.049 43.950 42.059 -0.263 0.000 1.259 638 L HN 0.442 nan 8.230 nan 0.000 0.403 639 V N 4.144 123.895 119.914 -0.271 0.000 2.588 639 V HA 0.579 4.700 4.120 0.002 0.000 0.304 639 V C -0.737 175.172 176.094 -0.308 0.000 1.042 639 V CA -0.511 61.628 62.300 -0.268 0.000 0.877 639 V CB 1.904 33.619 31.823 -0.180 0.000 0.996 639 V HN 0.827 nan 8.190 nan 0.000 0.425 640 Q N 3.634 123.196 119.800 -0.397 0.000 2.347 640 Q HA 0.690 5.032 4.340 0.002 0.000 0.262 640 Q C 0.138 175.824 176.000 -0.523 0.000 0.980 640 Q CA 0.191 55.682 55.803 -0.519 0.000 0.867 640 Q CB 1.770 30.037 28.738 -0.785 0.000 1.242 640 Q HN 0.830 nan 8.270 nan 0.000 0.453 641 A N 3.968 126.558 122.820 -0.385 0.000 2.252 641 A HA 0.356 4.678 4.320 0.002 0.000 0.213 641 A C -0.315 177.255 177.584 -0.023 0.000 1.188 641 A CA 0.061 51.996 52.037 -0.171 0.000 0.863 641 A CB -0.512 18.469 19.000 -0.031 0.000 0.893 641 A HN 0.938 nan 8.150 nan 0.000 0.495 642 W N -2.643 118.633 121.300 -0.040 0.000 2.801 642 W HA -0.303 4.359 4.660 0.003 0.000 0.261 642 W C -0.462 175.930 176.519 -0.211 0.000 0.592 642 W CA 0.672 57.931 57.345 -0.143 0.000 0.632 642 W CB -1.235 28.226 29.460 0.001 0.000 1.549 642 W HN 0.241 nan 8.180 nan 0.000 0.391 643 Y N 1.395 121.952 120.300 0.428 0.000 2.356 643 Y HA 0.522 5.074 4.550 0.002 0.000 0.334 643 Y C 0.996 177.024 175.900 0.214 0.000 0.958 643 Y CA -0.696 57.549 58.100 0.241 0.000 1.196 643 Y CB 1.032 39.588 38.460 0.160 0.000 1.137 643 Y HN 0.477 nan 8.280 nan 0.000 0.485 644 G N 1.290 110.280 108.800 0.317 0.000 2.985 644 G HA2 0.397 4.358 3.960 0.002 0.000 0.209 644 G HA3 0.397 4.358 3.960 0.002 0.000 0.209 644 G C 0.888 175.880 174.900 0.153 0.000 1.165 644 G CA 0.364 45.598 45.100 0.223 0.000 0.776 644 G HN 1.114 nan 8.290 nan 0.000 0.541 645 G N 0.647 109.528 108.800 0.136 0.000 2.553 645 G HA2 -0.322 3.639 3.960 0.002 0.000 0.242 645 G HA3 -0.322 3.639 3.960 0.002 0.000 0.242 645 G C 0.825 175.723 174.900 -0.003 0.000 1.277 645 G CA 0.185 45.313 45.100 0.047 0.000 0.910 645 G HN 0.217 nan 8.290 nan 0.000 0.576 646 N N 0.990 119.629 118.700 -0.101 0.000 2.069 646 N HA -0.038 4.704 4.740 0.002 0.000 0.191 646 N C 1.668 177.202 175.510 0.040 0.000 1.031 646 N CA 1.731 54.672 53.050 -0.182 0.000 0.852 646 N CB -0.137 38.075 38.487 -0.458 0.000 1.018 646 N HN 0.581 nan 8.380 nan 0.000 0.423 647 E N 0.886 121.134 120.200 0.080 0.000 2.368 647 E HA 0.037 4.389 4.350 0.002 0.000 0.188 647 E C 1.616 178.288 176.600 0.119 0.000 1.061 647 E CA -0.200 56.288 56.400 0.148 0.000 0.933 647 E CB -0.205 29.564 29.700 0.114 0.000 1.091 647 E HN 0.408 nan 8.360 nan 0.000 0.458 648 L N -1.811 119.483 121.223 0.118 0.000 2.012 648 L HA -0.025 4.316 4.340 0.002 0.000 0.210 648 L C 2.018 178.962 176.870 0.123 0.000 1.073 648 L CA 2.445 57.362 54.840 0.127 0.000 0.748 648 L CB -1.231 40.916 42.059 0.146 0.000 0.891 648 L HN 0.049 nan 8.230 nan 0.000 0.431 649 G N -0.352 108.524 108.800 0.127 0.000 2.404 649 G HA2 -0.261 3.700 3.960 0.002 0.000 0.215 649 G HA3 -0.261 3.700 3.960 0.002 0.000 0.215 649 G C 1.365 176.323 174.900 0.097 0.000 1.174 649 G CA 0.840 46.009 45.100 0.114 0.000 0.780 649 G HN 0.482 nan 8.290 nan 0.000 0.537 650 N N 1.210 119.968 118.700 0.097 0.000 2.223 650 N HA -0.049 4.693 4.740 0.002 0.000 0.185 650 N C 2.333 177.894 175.510 0.084 0.000 1.016 650 N CA 1.217 54.316 53.050 0.081 0.000 0.863 650 N CB -0.377 38.155 38.487 0.075 0.000 0.983 650 N HN 0.331 nan 8.380 nan 0.000 0.429 651 A N 0.567 123.439 122.820 0.087 0.000 1.929 651 A HA 0.038 4.360 4.320 0.002 0.000 0.216 651 A C 2.279 179.906 177.584 0.073 0.000 1.176 651 A CA 0.571 52.655 52.037 0.078 0.000 0.628 651 A CB -0.473 18.577 19.000 0.082 0.000 0.816 651 A HN 0.184 nan 8.150 nan 0.000 0.444 652 I N -0.050 120.565 120.570 0.075 0.000 2.179 652 I HA -0.302 3.870 4.170 0.002 0.000 0.242 652 I C 2.991 179.145 176.117 0.062 0.000 1.088 652 I CA 1.025 62.358 61.300 0.056 0.000 1.357 652 I CB -0.356 37.679 38.000 0.059 0.000 1.051 652 I HN 0.361 nan 8.210 nan 0.000 0.409 653 A N 0.785 123.667 122.820 0.103 0.000 1.859 653 A HA -0.309 4.012 4.320 0.002 0.000 0.217 653 A C 1.974 179.683 177.584 0.208 0.000 1.198 653 A CA 2.443 54.593 52.037 0.188 0.000 0.629 653 A CB -0.915 18.196 19.000 0.184 0.000 0.830 653 A HN 0.363 nan 8.150 nan 0.000 0.446 654 D N -0.772 119.714 120.400 0.144 0.000 2.203 654 D HA -0.120 4.522 4.640 0.002 0.000 0.199 654 D C 1.860 178.231 176.300 0.118 0.000 0.997 654 D CA 1.506 55.584 54.000 0.131 0.000 0.863 654 D CB -0.246 40.605 40.800 0.087 0.000 0.928 654 D HN 0.242 nan 8.370 nan 0.000 0.458 655 V N 0.073 120.029 119.914 0.070 0.000 2.685 655 V HA -0.031 4.091 4.120 0.002 0.000 0.244 655 V C 2.487 178.615 176.094 0.056 0.000 1.054 655 V CA 0.369 62.681 62.300 0.020 0.000 1.076 655 V CB -0.062 31.733 31.823 -0.048 0.000 0.725 655 V HN 0.170 nan 8.190 nan 0.000 0.467 656 L N -0.883 120.338 121.223 -0.004 0.000 2.013 656 L HA -0.246 4.095 4.340 0.002 0.000 0.212 656 L C 2.255 178.998 176.870 -0.213 0.000 1.073 656 L CA 2.148 56.899 54.840 -0.148 0.000 0.753 656 L CB -0.503 41.367 42.059 -0.315 0.000 0.890 656 L HN 0.372 nan 8.230 nan 0.000 0.432 657 Y N -0.976 119.370 120.300 0.077 0.000 2.466 657 Y HA 0.146 4.697 4.550 0.003 0.000 0.272 657 Y C 1.783 177.744 175.900 0.102 0.000 1.169 657 Y CA 0.454 58.592 58.100 0.064 0.000 1.285 657 Y CB 0.441 38.929 38.460 0.046 0.000 1.078 657 Y HN 0.316 nan 8.280 nan 0.000 0.523 658 G N -0.121 108.838 108.800 0.266 0.000 2.176 658 G HA2 -0.312 3.649 3.960 0.002 0.000 0.253 658 G HA3 -0.312 3.649 3.960 0.002 0.000 0.253 658 G C 0.825 175.868 174.900 0.238 0.000 0.979 658 G CA 0.585 45.840 45.100 0.258 0.000 0.641 658 G HN 0.375 nan 8.290 nan 0.000 0.530 659 D N -0.247 120.280 120.400 0.212 0.000 2.178 659 D HA 0.029 4.671 4.640 0.002 0.000 0.201 659 D C 1.312 177.687 176.300 0.126 0.000 0.980 659 D CA 1.408 55.507 54.000 0.164 0.000 0.842 659 D CB 0.189 41.067 40.800 0.129 0.000 0.948 659 D HN 0.391 nan 8.370 nan 0.000 0.472 660 V N 1.733 121.707 119.914 0.099 0.000 2.398 660 V HA 0.184 4.306 4.120 0.002 0.000 0.286 660 V C 0.300 176.390 176.094 -0.007 0.000 1.026 660 V CA -0.787 61.544 62.300 0.052 0.000 0.868 660 V CB 2.332 34.173 31.823 0.030 0.000 0.982 660 V HN -0.241 nan 8.190 nan 0.000 0.443 661 V N 7.608 127.504 119.914 -0.031 0.000 2.427 661 V HA 0.218 4.340 4.120 0.002 0.000 0.268 661 V C -2.084 173.848 176.094 -0.271 0.000 1.046 661 V CA -1.666 60.516 62.300 -0.196 0.000 0.970 661 V CB 1.059 32.834 31.823 -0.080 0.000 1.001 661 V HN 0.777 nan 8.190 nan 0.000 0.476 662 P HA 0.067 nan 4.420 nan 0.000 0.262 662 P C -0.031 177.121 177.300 -0.247 0.000 1.182 662 P CA 0.318 63.190 63.100 -0.380 0.000 0.761 662 P CB 0.220 31.588 31.700 -0.554 0.000 0.795 663 N N 0.520 119.134 118.700 -0.144 0.000 2.036 663 N HA 0.151 4.893 4.740 0.002 0.000 0.228 663 N C 0.471 175.929 175.510 -0.085 0.000 1.368 663 N CA -0.533 52.456 53.050 -0.101 0.000 0.846 663 N CB 0.151 38.614 38.487 -0.040 0.000 1.145 663 N HN 0.370 nan 8.380 nan 0.000 0.502 664 G N 0.442 109.207 108.800 -0.058 0.000 2.476 664 G HA2 0.479 4.441 3.960 0.002 0.000 0.269 664 G HA3 0.479 4.441 3.960 0.002 0.000 0.269 664 G C -0.575 174.284 174.900 -0.068 0.000 1.195 664 G CA -0.355 44.747 45.100 0.004 0.000 0.843 664 G HN 0.022 nan 8.290 nan 0.000 0.545 665 K N 1.022 121.399 120.400 -0.039 0.000 2.371 665 K HA 0.301 4.623 4.320 0.002 0.000 0.251 665 K C -0.322 176.336 176.600 0.098 0.000 0.934 665 K CA -0.774 55.406 56.287 -0.178 0.000 0.798 665 K CB 2.689 34.759 32.500 -0.716 0.000 1.204 665 K HN 0.343 nan 8.250 nan 0.000 0.427 666 L N 2.402 123.675 121.223 0.083 0.000 2.534 666 L HA -0.060 4.281 4.340 0.002 0.000 0.271 666 L C 1.609 178.603 176.870 0.207 0.000 1.178 666 L CA 0.179 55.177 54.840 0.264 0.000 0.907 666 L CB 0.332 42.552 42.059 0.270 0.000 1.164 666 L HN 0.790 nan 8.230 nan 0.000 0.482 667 S N 3.876 119.761 115.700 0.308 0.000 2.515 667 S HA 0.117 4.588 4.470 0.002 0.000 0.231 667 S C 0.413 175.331 174.600 0.530 0.000 0.987 667 S CA 0.137 58.498 58.200 0.268 0.000 0.936 667 S CB -0.173 63.068 63.200 0.067 0.000 0.766 667 S HN 0.473 nan 8.310 nan 0.000 0.528 668 L N 0.725 122.284 121.223 0.560 0.000 2.371 668 L HA 0.522 4.864 4.340 0.002 0.000 0.262 668 L C -0.200 177.019 176.870 0.581 0.000 1.006 668 L CA -0.866 54.314 54.840 0.566 0.000 0.818 668 L CB 2.026 44.351 42.059 0.443 0.000 1.354 668 L HN -0.109 nan 8.230 nan 0.000 0.415 669 S N 0.360 116.373 115.700 0.521 0.000 2.584 669 S HA 0.198 4.669 4.470 0.002 0.000 0.270 669 S C -0.977 173.810 174.600 0.312 0.000 1.346 669 S CA -0.249 58.193 58.200 0.403 0.000 1.018 669 S CB 0.605 64.046 63.200 0.401 0.000 0.899 669 S HN 0.534 nan 8.310 nan 0.000 0.542 670 W N 5.275 126.552 121.300 -0.039 0.000 2.516 670 W HA 0.289 4.951 4.660 0.002 0.000 0.293 670 W C -3.008 173.332 176.519 -0.299 0.000 1.006 670 W CA -2.273 55.026 57.345 -0.076 0.000 1.483 670 W CB 1.232 30.735 29.460 0.071 0.000 1.316 670 W HN 0.482 nan 8.180 nan 0.000 0.411 671 P HA 0.070 nan 4.420 nan 0.000 0.274 671 P C 0.893 178.043 177.300 -0.250 0.000 1.237 671 P CA 0.034 62.932 63.100 -0.337 0.000 0.793 671 P CB 1.142 32.738 31.700 -0.173 0.000 0.977 672 F N 0.216 120.103 119.950 -0.106 0.000 2.046 672 F HA -0.083 4.445 4.527 0.002 0.000 0.297 672 F C 1.646 177.374 175.800 -0.119 0.000 1.123 672 F CA 1.868 59.809 58.000 -0.098 0.000 1.199 672 F CB -0.513 38.423 39.000 -0.106 0.000 0.972 672 F HN 0.195 nan 8.300 nan 0.000 0.474 673 K N -0.282 120.165 120.400 0.078 0.000 2.318 673 K HA 0.281 4.602 4.320 0.002 0.000 0.249 673 K C 0.421 176.970 176.600 -0.085 0.000 0.942 673 K CA -0.758 55.511 56.287 -0.031 0.000 0.808 673 K CB 2.515 34.987 32.500 -0.045 0.000 1.189 673 K HN -0.130 nan 8.250 nan 0.000 0.428 674 L N 2.825 123.979 121.223 -0.115 0.000 2.043 674 L HA -0.253 4.088 4.340 0.002 0.000 0.212 674 L C 1.648 178.378 176.870 -0.234 0.000 1.075 674 L CA 2.058 56.837 54.840 -0.101 0.000 0.752 674 L CB -0.232 41.820 42.059 -0.013 0.000 0.891 674 L HN 0.657 nan 8.230 nan 0.000 0.432 675 Q N -0.538 118.918 119.800 -0.573 0.000 2.443 675 Q HA -0.199 4.143 4.340 0.002 0.000 0.213 675 Q C 1.589 177.341 176.000 -0.413 0.000 0.982 675 Q CA 1.481 56.634 55.803 -1.083 0.000 0.894 675 Q CB -0.315 27.916 28.738 -0.845 0.000 0.947 675 Q HN 0.546 nan 8.270 nan 0.000 0.480 676 D N 0.057 120.383 120.400 -0.122 0.000 2.289 676 D HA -0.045 4.596 4.640 0.002 0.000 0.207 676 D C 0.187 176.668 176.300 0.302 0.000 0.966 676 D CA 0.338 54.410 54.000 0.120 0.000 0.868 676 D CB -0.267 40.641 40.800 0.181 0.000 0.943 676 D HN 0.401 nan 8.370 nan 0.000 0.514 677 N N 1.047 119.852 118.700 0.175 0.000 2.525 677 N HA 0.036 4.778 4.740 0.002 0.000 0.271 677 N C -1.842 173.567 175.510 -0.168 0.000 1.194 677 N CA -0.995 52.122 53.050 0.111 0.000 0.964 677 N CB 1.394 39.919 38.487 0.064 0.000 1.126 677 N HN -0.250 nan 8.380 nan 0.000 0.452 678 P HA -0.103 nan 4.420 nan 0.000 0.221 678 P C 0.070 177.124 177.300 -0.410 0.000 1.145 678 P CA 1.270 63.657 63.100 -1.188 0.000 0.795 678 P CB 0.027 30.879 31.700 -1.413 0.000 0.775 679 A N -2.198 120.498 122.820 -0.208 0.000 2.574 679 A HA 0.232 4.554 4.320 0.002 0.000 0.283 679 A C 1.261 178.870 177.584 0.041 0.000 1.270 679 A CA -0.599 51.407 52.037 -0.052 0.000 0.945 679 A CB -1.210 17.787 19.000 -0.006 0.000 1.127 679 A HN -0.053 nan 8.150 nan 0.000 0.522 680 F N 0.833 120.730 119.950 -0.088 0.000 2.063 680 F HA -0.204 4.324 4.527 0.002 0.000 0.298 680 F C 1.446 177.255 175.800 0.014 0.000 1.109 680 F CA 2.142 60.121 58.000 -0.036 0.000 1.212 680 F CB -0.088 38.903 39.000 -0.015 0.000 0.973 680 F HN 0.253 nan 8.300 nan 0.000 0.480 681 L N 0.039 121.195 121.223 -0.112 0.000 2.591 681 L HA 0.034 4.375 4.340 0.002 0.000 0.228 681 L C -0.443 176.375 176.870 -0.086 0.000 1.133 681 L CA 0.381 55.109 54.840 -0.187 0.000 0.880 681 L CB -0.638 41.395 42.059 -0.042 0.000 1.033 681 L HN 0.300 nan 8.230 nan 0.000 0.450 682 N N -1.271 117.420 118.700 -0.015 0.000 2.697 682 N HA 0.128 4.870 4.740 0.002 0.000 0.253 682 N C -0.775 174.779 175.510 0.073 0.000 1.604 682 N CA -0.339 52.720 53.050 0.016 0.000 0.772 682 N CB -0.114 38.388 38.487 0.024 0.000 1.267 682 N HN -0.047 nan 8.380 nan 0.000 0.510 683 F N 0.376 120.267 119.950 -0.099 0.000 2.677 683 F HA 0.495 5.024 4.527 0.002 0.000 0.388 683 F C -0.577 175.188 175.800 -0.058 0.000 1.400 683 F CA -0.368 57.584 58.000 -0.080 0.000 1.162 683 F CB 0.565 39.524 39.000 -0.068 0.000 1.135 683 F HN 0.029 nan 8.300 nan 0.000 0.516 684 K N 0.064 120.409 120.400 -0.091 0.000 2.527 684 K HA 0.468 4.790 4.320 0.002 0.000 0.260 684 K C -0.675 175.853 176.600 -0.121 0.000 0.937 684 K CA -0.489 55.743 56.287 -0.092 0.000 0.826 684 K CB 2.003 34.464 32.500 -0.065 0.000 1.359 684 K HN -0.061 nan 8.250 nan 0.000 0.434 685 T N 3.138 117.621 114.554 -0.117 0.000 2.761 685 T HA 0.263 4.614 4.350 0.002 0.000 0.296 685 T C -0.938 173.668 174.700 -0.157 0.000 0.934 685 T CA -0.233 61.801 62.100 -0.110 0.000 1.091 685 T CB 0.211 69.030 68.868 -0.081 0.000 0.896 685 T HN 0.341 nan 8.240 nan 0.000 0.515 686 E N 2.522 122.614 120.200 -0.179 0.000 2.218 686 E HA 0.327 4.679 4.350 0.002 0.000 0.263 686 E C -0.623 175.795 176.600 -0.303 0.000 0.879 686 E CA -0.946 55.209 56.400 -0.408 0.000 0.762 686 E CB 1.347 30.802 29.700 -0.409 0.000 1.166 686 E HN 0.603 nan 8.360 nan 0.000 0.415 687 F N 1.642 121.578 119.950 -0.023 0.000 3.074 687 F HA -0.232 4.296 4.527 0.003 0.000 0.287 687 F C 1.270 177.049 175.800 -0.036 0.000 0.932 687 F CA 0.938 58.923 58.000 -0.026 0.000 0.995 687 F CB -2.256 36.729 39.000 -0.026 0.000 0.966 687 F HN 0.959 nan 8.300 nan 0.000 0.721 688 G N -0.218 108.597 108.800 0.024 0.000 2.200 688 G HA2 -0.293 3.669 3.960 0.002 0.000 0.267 688 G HA3 -0.293 3.669 3.960 0.002 0.000 0.267 688 G C 0.267 175.155 174.900 -0.021 0.000 0.993 688 G CA 0.815 45.911 45.100 -0.007 0.000 0.701 688 G HN 0.967 nan 8.290 nan 0.000 0.524 689 R N -1.816 118.684 120.500 -0.000 0.000 2.854 689 R HA 0.823 5.164 4.340 0.002 0.000 0.271 689 R C -1.035 175.259 176.300 -0.009 0.000 0.994 689 R CA -1.154 54.941 56.100 -0.009 0.000 0.945 689 R CB 1.864 32.176 30.300 0.020 0.000 1.194 689 R HN 0.355 nan 8.270 nan 0.000 0.476 690 V N 3.054 122.968 119.914 0.001 0.000 2.447 690 V HA 0.382 4.504 4.120 0.002 0.000 0.292 690 V C -0.423 175.748 176.094 0.128 0.000 1.021 690 V CA -0.685 61.643 62.300 0.048 0.000 0.850 690 V CB 1.476 33.330 31.823 0.052 0.000 1.005 690 V HN 0.675 nan 8.190 nan 0.000 0.426 691 I N 5.014 125.652 120.570 0.115 0.000 2.337 691 I HA 0.229 4.400 4.170 0.002 0.000 0.291 691 I C -0.395 175.867 176.117 0.242 0.000 1.046 691 I CA -0.440 60.939 61.300 0.132 0.000 1.324 691 I CB 0.554 38.601 38.000 0.078 0.000 1.409 691 I HN 0.537 nan 8.210 nan 0.000 0.494 692 Y N 5.841 126.119 120.300 -0.038 0.000 2.603 692 Y HA 0.121 4.672 4.550 0.003 0.000 0.341 692 Y C 1.662 177.580 175.900 0.030 0.000 1.272 692 Y CA -0.784 57.310 58.100 -0.011 0.000 1.891 692 Y CB -0.316 38.115 38.460 -0.049 0.000 1.910 692 Y HN 0.679 nan 8.280 nan 0.000 0.432 693 G N 1.208 110.100 108.800 0.154 0.000 2.448 693 G HA2 -0.238 3.723 3.960 0.002 0.000 0.219 693 G HA3 -0.238 3.723 3.960 0.002 0.000 0.219 693 G C 1.527 176.510 174.900 0.138 0.000 1.127 693 G CA 0.687 45.860 45.100 0.121 0.000 0.766 693 G HN 0.551 nan 8.290 nan 0.000 0.552 694 E N 0.833 121.109 120.200 0.126 0.000 2.427 694 E HA 0.018 4.369 4.350 0.002 0.000 0.196 694 E C 0.896 177.668 176.600 0.287 0.000 1.028 694 E CA 1.008 57.517 56.400 0.183 0.000 0.864 694 E CB -0.173 29.551 29.700 0.041 0.000 0.813 694 E HN 0.317 nan 8.360 nan 0.000 0.514 695 D N 0.915 121.448 120.400 0.223 0.000 3.845 695 D HA -0.318 4.323 4.640 0.002 0.000 0.144 695 D C 1.197 177.552 176.300 0.092 0.000 0.889 695 D CA 3.064 57.172 54.000 0.180 0.000 1.096 695 D CB -1.369 39.532 40.800 0.168 0.000 0.515 695 D HN 0.331 nan 8.370 nan 0.000 0.525 696 I N -1.976 118.506 120.570 -0.146 0.000 3.291 696 I HA 0.153 4.324 4.170 0.002 0.000 0.279 696 I C 0.608 176.483 176.117 -0.404 0.000 1.294 696 I CA 0.364 61.475 61.300 -0.315 0.000 1.428 696 I CB -0.399 37.333 38.000 -0.446 0.000 1.070 696 I HN 0.022 nan 8.210 nan 0.000 0.478 697 F N 2.712 122.697 119.950 0.057 0.000 2.605 697 F HA 0.408 4.937 4.527 0.002 0.000 0.352 697 F C 0.069 175.869 175.800 -0.001 0.000 1.236 697 F CA -0.313 57.718 58.000 0.052 0.000 1.267 697 F CB 0.034 39.122 39.000 0.147 0.000 1.632 697 F HN -0.191 nan 8.300 nan 0.000 0.639 698 V N 1.587 121.513 119.914 0.019 0.000 2.555 698 V HA 0.778 4.900 4.120 0.002 0.000 0.302 698 V C 0.740 176.794 176.094 -0.066 0.000 1.038 698 V CA -0.234 62.041 62.300 -0.040 0.000 0.887 698 V CB 1.123 32.903 31.823 -0.071 0.000 0.991 698 V HN 0.866 nan 8.190 nan 0.000 0.434 699 G N 4.492 113.294 108.800 0.002 0.000 2.611 699 G HA2 -0.400 3.562 3.960 0.002 0.000 0.301 699 G HA3 -0.400 3.562 3.960 0.002 0.000 0.301 699 G C 0.691 175.752 174.900 0.269 0.000 1.233 699 G CA 1.455 46.659 45.100 0.173 0.000 0.993 699 G HN 1.505 nan 8.290 nan 0.000 0.553 700 Y N 0.919 121.406 120.300 0.312 0.000 2.241 700 Y HA -0.052 4.500 4.550 0.002 0.000 0.286 700 Y C 2.897 178.956 175.900 0.265 0.000 1.166 700 Y CA 2.033 60.342 58.100 0.349 0.000 1.203 700 Y CB -0.608 38.013 38.460 0.268 0.000 0.977 700 Y HN 0.457 nan 8.280 nan 0.000 0.529 701 R N -0.845 119.434 120.500 -0.369 0.000 2.096 701 R HA -0.169 4.172 4.340 0.002 0.000 0.235 701 R C 1.999 178.423 176.300 0.207 0.000 1.127 701 R CA 1.691 57.725 56.100 -0.110 0.000 0.968 701 R CB -0.707 29.482 30.300 -0.186 0.000 0.861 701 R HN 0.480 nan 8.270 nan 0.000 0.440 702 Y N 0.460 120.750 120.300 -0.017 0.000 2.084 702 Y HA -0.275 4.277 4.550 0.002 0.000 0.279 702 Y C 1.867 177.677 175.900 -0.150 0.000 1.119 702 Y CA 1.358 59.381 58.100 -0.129 0.000 1.101 702 Y CB -0.707 37.508 38.460 -0.408 0.000 0.989 702 Y HN -0.060 nan 8.280 nan 0.000 0.484 703 Y N 0.848 121.223 120.300 0.124 0.000 2.114 703 Y HA -0.261 4.291 4.550 0.003 0.000 0.282 703 Y C 2.514 178.395 175.900 -0.032 0.000 1.165 703 Y CA 2.000 60.097 58.100 -0.005 0.000 1.148 703 Y CB -0.872 37.662 38.460 0.123 0.000 0.972 703 Y HN 0.264 nan 8.280 nan 0.000 0.504 704 E N -0.099 120.221 120.200 0.202 0.000 2.110 704 E HA -0.227 4.125 4.350 0.002 0.000 0.193 704 E C 2.087 178.707 176.600 0.032 0.000 0.988 704 E CA 1.246 57.726 56.400 0.132 0.000 0.804 704 E CB -0.141 29.674 29.700 0.191 0.000 0.745 704 E HN 0.226 nan 8.360 nan 0.000 0.458 705 K N 0.661 121.048 120.400 -0.021 0.000 2.148 705 K HA -0.114 4.208 4.320 0.002 0.000 0.204 705 K C 1.577 178.045 176.600 -0.221 0.000 1.050 705 K CA 0.748 56.956 56.287 -0.132 0.000 0.942 705 K CB 0.048 32.391 32.500 -0.261 0.000 0.724 705 K HN -0.016 nan 8.250 nan 0.000 0.446 706 L N 1.159 122.206 121.223 -0.294 0.000 2.558 706 L HA 0.133 4.475 4.340 0.002 0.000 0.225 706 L C 0.134 176.919 176.870 -0.142 0.000 1.128 706 L CA 0.795 55.460 54.840 -0.291 0.000 0.868 706 L CB -0.288 41.478 42.059 -0.488 0.000 1.006 706 L HN 0.253 nan 8.230 nan 0.000 0.454 707 Q N -0.066 119.689 119.800 -0.075 0.000 2.457 707 Q HA -0.284 4.058 4.340 0.002 0.000 0.283 707 Q C 0.438 176.440 176.000 0.003 0.000 1.234 707 Q CA 0.621 56.413 55.803 -0.020 0.000 0.877 707 Q CB -1.316 27.405 28.738 -0.028 0.000 1.250 707 Q HN 0.447 nan 8.270 nan 0.000 0.481 708 R N 1.422 121.940 120.500 0.030 0.000 2.308 708 R HA 0.249 4.591 4.340 0.002 0.000 0.305 708 R C -0.325 176.043 176.300 0.112 0.000 1.053 708 R CA -0.374 55.779 56.100 0.089 0.000 0.957 708 R CB 0.744 31.139 30.300 0.158 0.000 1.022 708 R HN -0.020 nan 8.270 nan 0.000 0.461 709 K N 3.060 123.525 120.400 0.107 0.000 2.237 709 K HA 0.200 4.521 4.320 0.002 0.000 0.270 709 K C -0.275 176.346 176.600 0.036 0.000 1.015 709 K CA -0.510 55.840 56.287 0.105 0.000 0.949 709 K CB 1.418 34.030 32.500 0.187 0.000 0.976 709 K HN 0.463 nan 8.250 nan 0.000 0.472 710 V N -1.413 118.348 119.914 -0.255 0.000 2.960 710 V HA 0.494 4.616 4.120 0.002 0.000 0.315 710 V C 0.956 176.315 176.094 -1.225 0.000 1.087 710 V CA -0.560 61.316 62.300 -0.707 0.000 0.982 710 V CB 1.410 32.867 31.823 -0.610 0.000 1.039 710 V HN 0.862 nan 8.190 nan 0.000 0.437 711 A N 2.172 123.924 122.820 -1.779 0.000 1.859 711 A HA 0.107 4.428 4.320 0.002 0.000 0.217 711 A C 0.665 177.398 177.584 -1.419 0.000 1.198 711 A CA 1.898 52.973 52.037 -1.603 0.000 0.629 711 A CB -0.692 17.821 19.000 -0.812 0.000 0.830 711 A HN 0.979 nan 8.150 nan 0.000 0.446 712 F N -0.651 119.068 119.950 -0.384 0.000 2.585 712 F HA 0.449 4.978 4.527 0.002 0.000 0.319 712 F C -2.650 173.043 175.800 -0.178 0.000 1.165 712 F CA -2.576 55.195 58.000 -0.382 0.000 0.949 712 F CB 2.130 40.893 39.000 -0.395 0.000 1.218 712 F HN -0.030 nan 8.300 nan 0.000 0.453 713 P HA 0.177 nan 4.420 nan 0.000 0.279 713 P C -0.353 177.100 177.300 0.255 0.000 1.252 713 P CA -0.366 62.796 63.100 0.103 0.000 0.811 713 P CB 1.148 32.877 31.700 0.049 0.000 1.035 714 F N 1.753 121.823 119.950 0.201 0.000 2.642 714 F HA 0.229 4.758 4.527 0.003 0.000 0.371 714 F C 1.566 177.461 175.800 0.158 0.000 1.120 714 F CA 2.069 60.202 58.000 0.221 0.000 1.331 714 F CB -0.319 38.817 39.000 0.226 0.000 1.044 714 F HN 0.746 nan 8.300 nan 0.000 0.594 715 G N 3.780 112.038 108.800 -0.902 0.000 2.166 715 G HA2 -0.367 3.594 3.960 0.002 0.000 0.260 715 G HA3 -0.367 3.594 3.960 0.002 0.000 0.260 715 G C -0.350 174.370 174.900 -0.300 0.000 0.986 715 G CA 0.302 44.986 45.100 -0.693 0.000 0.683 715 G HN 1.003 nan 8.290 nan 0.000 0.527 716 Y N 0.728 120.893 120.300 -0.225 0.000 2.334 716 Y HA 0.557 5.109 4.550 0.002 0.000 0.328 716 Y C 0.604 176.403 175.900 -0.168 0.000 1.130 716 Y CA 0.436 58.451 58.100 -0.142 0.000 1.163 716 Y CB 1.693 40.140 38.460 -0.020 0.000 1.207 716 Y HN 0.645 nan 8.280 nan 0.000 0.471 717 G N 5.365 113.738 108.800 -0.711 0.000 2.556 717 G HA2 0.361 4.322 3.960 0.002 0.000 0.294 717 G HA3 0.361 4.322 3.960 0.002 0.000 0.294 717 G C -2.186 172.344 174.900 -0.616 0.000 1.516 717 G CA -1.021 43.736 45.100 -0.572 0.000 0.824 717 G HN 0.770 nan 8.290 nan 0.000 0.535 718 L N 0.502 121.459 121.223 -0.443 0.000 2.431 718 L HA 0.786 5.128 4.340 0.002 0.000 0.260 718 L C 0.841 177.570 176.870 -0.234 0.000 1.098 718 L CA -0.735 53.923 54.840 -0.304 0.000 0.800 718 L CB 1.783 43.725 42.059 -0.196 0.000 1.210 718 L HN 0.582 nan 8.230 nan 0.000 0.465 719 S N -1.503 114.113 115.700 -0.141 0.000 2.751 719 S HA 0.434 4.906 4.470 0.002 0.000 0.310 719 S C -0.119 174.414 174.600 -0.112 0.000 1.128 719 S CA -0.454 57.659 58.200 -0.145 0.000 0.931 719 S CB 0.850 64.102 63.200 0.085 0.000 1.177 719 S HN 0.390 nan 8.310 nan 0.000 0.530 720 Y N 0.756 120.952 120.300 -0.174 0.000 2.457 720 Y HA 0.364 4.915 4.550 0.003 0.000 0.263 720 Y C 1.302 177.150 175.900 -0.087 0.000 1.164 720 Y CA -0.107 57.853 58.100 -0.233 0.000 1.274 720 Y CB -0.163 37.916 38.460 -0.635 0.000 1.097 720 Y HN 0.473 nan 8.280 nan 0.000 0.523 721 T N -1.009 113.566 114.554 0.035 0.000 2.724 721 T HA 0.593 4.944 4.350 0.002 0.000 0.274 721 T C -0.349 174.205 174.700 -0.243 0.000 0.984 721 T CA -0.303 61.744 62.100 -0.088 0.000 1.024 721 T CB 1.539 70.301 68.868 -0.177 0.000 1.320 721 T HN 0.093 nan 8.240 nan 0.000 0.555 722 T N -0.366 113.935 114.554 -0.422 0.000 2.916 722 T HA 0.818 5.170 4.350 0.002 0.000 0.292 722 T C -1.553 172.807 174.700 -0.567 0.000 1.055 722 T CA -0.574 61.338 62.100 -0.314 0.000 1.009 722 T CB 1.191 69.981 68.868 -0.130 0.000 1.118 722 T HN 0.365 nan 8.240 nan 0.000 0.497 723 F N 0.197 120.133 119.950 -0.024 0.000 2.613 723 F HA 0.626 5.154 4.527 0.003 0.000 0.310 723 F C -0.244 175.543 175.800 -0.021 0.000 1.085 723 F CA -0.744 57.241 58.000 -0.026 0.000 0.945 723 F CB 2.421 41.397 39.000 -0.040 0.000 1.298 723 F HN 0.924 nan 8.300 nan 0.000 0.455 724 E N 2.077 122.391 120.200 0.190 0.000 2.340 724 E HA 0.765 5.117 4.350 0.002 0.000 0.273 724 E C -2.037 174.618 176.600 0.091 0.000 0.891 724 E CA -1.102 55.362 56.400 0.106 0.000 0.757 724 E CB 2.732 32.467 29.700 0.058 0.000 1.231 724 E HN 0.500 nan 8.360 nan 0.000 0.439 725 L N -0.737 120.520 121.223 0.056 0.000 2.359 725 L HA 0.742 5.083 4.340 0.002 0.000 0.256 725 L C -1.133 175.752 176.870 0.025 0.000 1.026 725 L CA -0.690 54.173 54.840 0.038 0.000 0.828 725 L CB 1.985 44.058 42.059 0.023 0.000 1.406 725 L HN 0.740 nan 8.230 nan 0.000 0.413 726 D N -0.168 120.244 120.400 0.021 0.000 2.615 726 D HA 0.397 5.038 4.640 0.002 0.000 0.267 726 D C -0.968 175.342 176.300 0.015 0.000 1.236 726 D CA -0.470 53.538 54.000 0.013 0.000 0.839 726 D CB 2.110 42.916 40.800 0.010 0.000 1.380 726 D HN 0.608 nan 8.370 nan 0.000 0.433 727 I N 1.496 122.071 120.570 0.008 0.000 2.379 727 I HA 0.031 4.202 4.170 0.002 0.000 0.290 727 I C 1.332 177.469 176.117 0.033 0.000 1.063 727 I CA -0.038 61.274 61.300 0.021 0.000 1.351 727 I CB 1.096 39.094 38.000 -0.003 0.000 1.410 727 I HN 0.430 nan 8.210 nan 0.000 0.505 728 S N 2.287 118.012 115.700 0.043 0.000 2.539 728 S HA 0.229 4.701 4.470 0.002 0.000 0.221 728 S C 0.038 174.669 174.600 0.052 0.000 0.987 728 S CA -0.376 57.848 58.200 0.040 0.000 0.929 728 S CB 0.173 63.391 63.200 0.030 0.000 0.832 728 S HN 0.671 nan 8.310 nan 0.000 0.492 729 D N -0.199 120.248 120.400 0.077 0.000 2.878 729 D HA 0.487 5.129 4.640 0.002 0.000 0.211 729 D C -2.244 174.157 176.300 0.169 0.000 1.271 729 D CA -0.408 53.647 54.000 0.091 0.000 0.845 729 D CB 1.610 42.436 40.800 0.042 0.000 1.679 729 D HN 0.102 nan 8.370 nan 0.000 0.536 730 F N 3.191 123.134 119.950 -0.012 0.000 2.671 730 F HA 0.496 5.024 4.527 0.002 0.000 0.332 730 F C -1.299 174.484 175.800 -0.029 0.000 1.189 730 F CA -0.409 57.579 58.000 -0.019 0.000 0.988 730 F CB 1.080 40.078 39.000 -0.003 0.000 1.258 730 F HN 0.104 nan 8.300 nan 0.000 0.471 731 K N 5.610 125.664 120.400 -0.576 0.000 2.378 731 K HA 0.703 5.024 4.320 0.002 0.000 0.252 731 K C -1.449 174.777 176.600 -0.624 0.000 0.931 731 K CA -1.062 54.947 56.287 -0.464 0.000 0.794 731 K CB 2.614 34.971 32.500 -0.238 0.000 1.181 731 K HN 0.435 nan 8.250 nan 0.000 0.425 732 V N -0.148 119.472 119.914 -0.490 0.000 2.448 732 V HA 0.616 4.738 4.120 0.002 0.000 0.295 732 V C 0.021 175.975 176.094 -0.234 0.000 1.025 732 V CA -0.580 61.466 62.300 -0.424 0.000 0.859 732 V CB 1.016 32.561 31.823 -0.464 0.000 0.988 732 V HN 0.915 nan 8.190 nan 0.000 0.431 733 T N -0.204 114.224 114.554 -0.210 0.000 2.870 733 T HA 0.457 4.809 4.350 0.002 0.000 0.277 733 T C 0.515 175.144 174.700 -0.119 0.000 1.000 733 T CA -0.105 61.913 62.100 -0.136 0.000 0.982 733 T CB 1.626 70.421 68.868 -0.121 0.000 1.249 733 T HN 0.496 nan 8.240 nan 0.000 0.589 734 D N 0.323 120.672 120.400 -0.085 0.000 2.144 734 D HA -0.029 4.613 4.640 0.002 0.000 0.199 734 D C 1.190 177.433 176.300 -0.095 0.000 0.984 734 D CA 1.298 55.256 54.000 -0.069 0.000 0.834 734 D CB -0.041 40.731 40.800 -0.048 0.000 0.955 734 D HN 0.600 nan 8.370 nan 0.000 0.465 735 D N -0.788 119.542 120.400 -0.115 0.000 2.441 735 D HA 0.130 4.772 4.640 0.002 0.000 0.210 735 D C 0.177 176.378 176.300 -0.166 0.000 1.102 735 D CA 0.133 54.048 54.000 -0.141 0.000 0.840 735 D CB 1.107 41.827 40.800 -0.133 0.000 0.990 735 D HN 0.108 nan 8.370 nan 0.000 0.505 736 K N 0.322 120.620 120.400 -0.171 0.000 2.469 736 K HA 0.593 4.914 4.320 0.002 0.000 0.254 736 K C -1.015 175.444 176.600 -0.236 0.000 0.939 736 K CA -0.562 55.615 56.287 -0.184 0.000 0.812 736 K CB 2.912 35.321 32.500 -0.152 0.000 1.301 736 K HN -0.208 nan 8.250 nan 0.000 0.433 737 I N 1.973 122.406 120.570 -0.229 0.000 2.389 737 I HA 0.416 4.588 4.170 0.002 0.000 0.288 737 I C -0.713 175.285 176.117 -0.198 0.000 0.999 737 I CA -0.619 60.512 61.300 -0.281 0.000 1.129 737 I CB 1.966 39.849 38.000 -0.194 0.000 1.288 737 I HN 0.584 nan 8.210 nan 0.000 0.444 738 A N 7.310 129.979 122.820 -0.252 0.000 2.271 738 A HA 0.814 5.136 4.320 0.002 0.000 0.317 738 A C -0.863 176.644 177.584 -0.128 0.000 1.245 738 A CA -0.424 51.519 52.037 -0.157 0.000 0.857 738 A CB 0.838 19.754 19.000 -0.141 0.000 1.175 738 A HN 0.680 nan 8.150 nan 0.000 0.512 739 I N 1.296 121.861 120.570 -0.008 0.000 2.545 739 I HA 0.686 4.858 4.170 0.002 0.000 0.292 739 I C -0.568 175.585 176.117 0.060 0.000 1.040 739 I CA 0.066 61.424 61.300 0.097 0.000 1.068 739 I CB 2.423 40.559 38.000 0.226 0.000 1.251 739 I HN 0.339 nan 8.210 nan 0.000 0.424 740 S N 5.298 121.041 115.700 0.072 0.000 2.473 740 S HA 0.785 5.256 4.470 0.002 0.000 0.307 740 S C -1.052 173.575 174.600 0.044 0.000 1.094 740 S CA -0.569 57.656 58.200 0.042 0.000 1.070 740 S CB 1.741 64.960 63.200 0.032 0.000 1.019 740 S HN 0.489 nan 8.310 nan 0.000 0.480 741 V N 3.312 123.243 119.914 0.030 0.000 2.483 741 V HA 0.371 4.493 4.120 0.002 0.000 0.297 741 V C -0.996 175.110 176.094 0.020 0.000 1.027 741 V CA -0.938 61.378 62.300 0.025 0.000 0.855 741 V CB 2.024 33.860 31.823 0.021 0.000 0.995 741 V HN 0.725 nan 8.190 nan 0.000 0.424 742 D N 3.393 123.806 120.400 0.023 0.000 2.249 742 D HA 0.556 5.198 4.640 0.002 0.000 0.246 742 D C -0.477 175.841 176.300 0.030 0.000 1.114 742 D CA 0.128 54.143 54.000 0.025 0.000 0.854 742 D CB 1.993 42.809 40.800 0.025 0.000 1.132 742 D HN 0.289 nan 8.370 nan 0.000 0.461 743 V N 2.517 122.454 119.914 0.037 0.000 2.588 743 V HA 0.442 4.563 4.120 0.002 0.000 0.304 743 V C -0.093 176.062 176.094 0.101 0.000 1.042 743 V CA -0.937 61.399 62.300 0.060 0.000 0.877 743 V CB 2.135 33.972 31.823 0.023 0.000 0.996 743 V HN 0.341 nan 8.190 nan 0.000 0.425 744 K N 3.082 123.569 120.400 0.145 0.000 2.443 744 K HA 0.424 4.746 4.320 0.002 0.000 0.252 744 K C -0.606 176.088 176.600 0.157 0.000 0.933 744 K CA -0.725 55.637 56.287 0.125 0.000 0.792 744 K CB 1.579 34.113 32.500 0.057 0.000 1.185 744 K HN 0.674 nan 8.250 nan 0.000 0.425 745 N N 2.903 121.644 118.700 0.069 0.000 2.406 745 N HA -0.027 4.715 4.740 0.002 0.000 0.269 745 N C 0.230 175.621 175.510 -0.197 0.000 1.210 745 N CA 0.195 53.098 53.050 -0.245 0.000 0.966 745 N CB 0.732 39.089 38.487 -0.216 0.000 1.293 745 N HN 0.667 nan 8.380 nan 0.000 0.491 746 T N -0.437 113.990 114.554 -0.211 0.000 3.129 746 T HA 0.219 4.570 4.350 0.002 0.000 0.251 746 T C 1.039 175.665 174.700 -0.122 0.000 1.117 746 T CA -0.275 61.754 62.100 -0.119 0.000 1.034 746 T CB -0.097 68.729 68.868 -0.071 0.000 0.968 746 T HN 0.301 nan 8.240 nan 0.000 0.526 747 G N 1.615 110.312 108.800 -0.172 0.000 2.580 747 G HA2 0.432 4.393 3.960 0.002 0.000 0.278 747 G HA3 0.432 4.393 3.960 0.002 0.000 0.278 747 G C 0.072 174.921 174.900 -0.085 0.000 1.212 747 G CA -0.163 44.871 45.100 -0.110 0.000 0.939 747 G HN 0.442 nan 8.290 nan 0.000 0.513 748 D N -2.577 117.783 120.400 -0.065 0.000 2.500 748 D HA 0.077 4.718 4.640 0.002 0.000 0.217 748 D C 1.319 177.559 176.300 -0.100 0.000 1.159 748 D CA -0.050 53.907 54.000 -0.072 0.000 0.828 748 D CB 0.613 41.375 40.800 -0.063 0.000 1.039 748 D HN 0.417 nan 8.370 nan 0.000 0.512 749 K N -1.012 119.315 120.400 -0.121 0.000 2.287 749 K HA 0.247 4.569 4.320 0.002 0.000 0.199 749 K C -0.642 175.735 176.600 -0.373 0.000 1.061 749 K CA 0.231 56.346 56.287 -0.286 0.000 0.976 749 K CB 0.411 32.690 32.500 -0.368 0.000 0.898 749 K HN -0.034 nan 8.250 nan 0.000 0.492 750 F N 0.767 120.697 119.950 -0.033 0.000 2.507 750 F HA 0.475 5.004 4.527 0.002 0.000 0.325 750 F C -0.177 175.602 175.800 -0.035 0.000 1.116 750 F CA -1.273 56.725 58.000 -0.003 0.000 0.930 750 F CB 1.708 40.737 39.000 0.049 0.000 1.146 750 F HN -0.067 nan 8.300 nan 0.000 0.447 751 A N 2.049 125.004 122.820 0.224 0.000 2.388 751 A HA 0.775 5.096 4.320 0.002 0.000 0.257 751 A C 0.281 177.940 177.584 0.125 0.000 1.095 751 A CA 0.445 52.530 52.037 0.080 0.000 0.791 751 A CB 0.089 19.140 19.000 0.085 0.000 1.029 751 A HN 1.025 nan 8.150 nan 0.000 0.489 752 G N -0.330 108.469 108.800 -0.003 0.000 2.608 752 G HA2 0.528 4.489 3.960 0.002 0.000 0.291 752 G HA3 0.528 4.489 3.960 0.002 0.000 0.291 752 G C -1.064 173.996 174.900 0.267 0.000 1.425 752 G CA -0.390 44.834 45.100 0.208 0.000 0.787 752 G HN 0.832 nan 8.290 nan 0.000 0.484 753 S N -0.127 115.734 115.700 0.269 0.000 2.451 753 S HA 0.631 5.103 4.470 0.002 0.000 0.301 753 S C -0.486 173.948 174.600 -0.275 0.000 1.116 753 S CA -0.439 57.805 58.200 0.074 0.000 1.093 753 S CB 1.826 65.091 63.200 0.109 0.000 1.017 753 S HN 0.655 nan 8.310 nan 0.000 0.482 754 E N 1.708 121.528 120.200 -0.634 0.000 2.221 754 E HA 0.572 4.923 4.350 0.002 0.000 0.268 754 E C -1.415 174.934 176.600 -0.418 0.000 0.933 754 E CA -0.793 55.082 56.400 -0.874 0.000 0.809 754 E CB 1.330 30.100 29.700 -1.549 0.000 1.190 754 E HN 0.287 nan 8.360 nan 0.000 0.406 755 V N 3.822 123.519 119.914 -0.361 0.000 2.357 755 V HA 0.322 4.444 4.120 0.002 0.000 0.284 755 V C -0.464 175.518 176.094 -0.187 0.000 1.018 755 V CA -0.901 61.256 62.300 -0.239 0.000 0.841 755 V CB 1.520 33.118 31.823 -0.375 0.000 0.991 755 V HN 0.534 nan 8.190 nan 0.000 0.437 756 V N 6.177 126.048 119.914 -0.072 0.000 2.461 756 V HA 0.348 4.470 4.120 0.002 0.000 0.275 756 V C 0.049 176.179 176.094 0.059 0.000 1.047 756 V CA -0.355 61.932 62.300 -0.023 0.000 0.955 756 V CB 1.219 33.040 31.823 -0.004 0.000 0.988 756 V HN 0.938 nan 8.190 nan 0.000 0.471 757 Q N 3.626 123.458 119.800 0.053 0.000 2.337 757 Q HA 0.699 5.041 4.340 0.002 0.000 0.266 757 Q C -1.335 174.688 176.000 0.039 0.000 1.023 757 Q CA -0.727 55.116 55.803 0.067 0.000 0.829 757 Q CB 2.833 31.613 28.738 0.071 0.000 1.306 757 Q HN 0.543 nan 8.270 nan 0.000 0.449 758 V N 3.049 122.927 119.914 -0.060 0.000 2.409 758 V HA 0.426 4.548 4.120 0.002 0.000 0.291 758 V C -1.142 174.884 176.094 -0.115 0.000 1.020 758 V CA -0.723 61.565 62.300 -0.020 0.000 0.848 758 V CB 0.342 32.191 31.823 0.044 0.000 0.990 758 V HN 0.653 nan 8.190 nan 0.000 0.430 759 Y N 3.585 123.928 120.300 0.070 0.000 2.567 759 Y HA 0.740 5.291 4.550 0.002 0.000 0.333 759 Y C -0.362 175.580 175.900 0.069 0.000 1.106 759 Y CA -0.835 57.370 58.100 0.175 0.000 1.157 759 Y CB 1.956 40.509 38.460 0.156 0.000 1.277 759 Y HN 0.485 nan 8.280 nan 0.000 0.490 760 F N 0.009 120.152 119.950 0.321 0.000 2.563 760 F HA 0.628 5.156 4.527 0.002 0.000 0.316 760 F C -0.370 175.593 175.800 0.272 0.000 1.076 760 F CA -0.675 57.495 58.000 0.284 0.000 0.921 760 F CB 2.272 41.428 39.000 0.260 0.000 1.209 760 F HN 0.267 nan 8.300 nan 0.000 0.462 761 S N 1.258 117.198 115.700 0.401 0.000 2.538 761 S HA 0.778 5.250 4.470 0.002 0.000 0.288 761 S C -0.873 173.860 174.600 0.221 0.000 1.108 761 S CA -0.796 57.561 58.200 0.261 0.000 0.971 761 S CB 1.830 65.111 63.200 0.135 0.000 1.041 761 S HN 0.734 nan 8.310 nan 0.000 0.483 762 A N 2.441 125.326 122.820 0.108 0.000 2.301 762 A HA 0.678 5.000 4.320 0.002 0.000 0.298 762 A C 0.488 177.943 177.584 -0.215 0.000 1.185 762 A CA -0.546 51.353 52.037 -0.229 0.000 0.830 762 A CB 0.036 18.975 19.000 -0.102 0.000 1.112 762 A HN 0.913 nan 8.150 nan 0.000 0.508 763 L N 1.154 122.174 121.223 -0.338 0.000 2.388 763 L HA 0.131 4.472 4.340 0.002 0.000 0.209 763 L C 0.407 177.181 176.870 -0.161 0.000 1.061 763 L CA 0.640 55.363 54.840 -0.196 0.000 0.834 763 L CB 0.068 42.017 42.059 -0.184 0.000 1.029 763 L HN 0.795 nan 8.230 nan 0.000 0.473 764 N N -0.847 117.733 118.700 -0.201 0.000 2.610 764 N HA 0.078 4.820 4.740 0.002 0.000 0.307 764 N C -0.429 175.005 175.510 -0.127 0.000 1.813 764 N CA -0.071 52.900 53.050 -0.132 0.000 0.901 764 N CB 1.083 39.508 38.487 -0.104 0.000 1.354 764 N HN -0.091 nan 8.380 nan 0.000 0.491 765 S N 0.514 116.130 115.700 -0.141 0.000 2.549 765 S HA 0.090 4.562 4.470 0.002 0.000 0.279 765 S C 1.311 175.858 174.600 -0.090 0.000 1.321 765 S CA -0.286 57.836 58.200 -0.130 0.000 1.054 765 S CB 0.551 63.657 63.200 -0.156 0.000 0.899 765 S HN 0.202 nan 8.310 nan 0.000 0.497 766 K N 2.348 122.709 120.400 -0.065 0.000 2.585 766 K HA 0.065 4.386 4.320 0.002 0.000 0.194 766 K C -0.261 176.303 176.600 -0.061 0.000 1.037 766 K CA 0.346 56.614 56.287 -0.032 0.000 0.964 766 K CB -0.159 32.360 32.500 0.032 0.000 0.787 766 K HN 0.384 nan 8.250 nan 0.000 0.488 767 V N 0.054 119.889 119.914 -0.133 0.000 2.851 767 V HA 0.042 4.163 4.120 0.002 0.000 0.307 767 V C -0.640 175.384 176.094 -0.117 0.000 1.129 767 V CA -0.921 61.275 62.300 -0.172 0.000 0.932 767 V CB 2.139 33.682 31.823 -0.466 0.000 1.024 767 V HN 0.064 nan 8.190 nan 0.000 0.426 768 S N 6.270 121.957 115.700 -0.022 0.000 2.516 768 S HA 0.469 4.941 4.470 0.002 0.000 0.282 768 S C -0.082 174.572 174.600 0.090 0.000 1.286 768 S CA -0.245 57.995 58.200 0.068 0.000 1.066 768 S CB 0.050 63.343 63.200 0.156 0.000 0.884 768 S HN 0.646 nan 8.310 nan 0.000 0.491 769 R N 3.507 124.078 120.500 0.118 0.000 2.919 769 R HA 0.560 4.902 4.340 0.002 0.000 0.260 769 R C -2.744 173.706 176.300 0.251 0.000 1.067 769 R CA -2.261 53.908 56.100 0.116 0.000 1.003 769 R CB 0.565 30.910 30.300 0.075 0.000 1.192 769 R HN 0.423 nan 8.270 nan 0.000 0.488 770 P HA 0.095 nan 4.420 nan 0.000 0.274 770 P C 0.896 178.326 177.300 0.217 0.000 1.256 770 P CA -0.443 62.836 63.100 0.298 0.000 0.795 770 P CB 0.557 32.354 31.700 0.161 0.000 1.038 771 V N -0.663 119.368 119.914 0.195 0.000 2.295 771 V HA -0.156 3.965 4.120 0.002 0.000 0.246 771 V C 1.119 177.316 176.094 0.172 0.000 1.049 771 V CA 1.968 64.354 62.300 0.144 0.000 1.024 771 V CB -1.213 30.677 31.823 0.111 0.000 0.648 771 V HN 0.724 nan 8.190 nan 0.000 0.447 772 K N -0.116 120.427 120.400 0.238 0.000 2.575 772 K HA 0.612 4.933 4.320 0.002 0.000 0.279 772 K C -1.660 175.239 176.600 0.499 0.000 0.969 772 K CA -0.814 55.668 56.287 0.324 0.000 0.868 772 K CB 2.232 34.883 32.500 0.251 0.000 1.457 772 K HN 0.193 nan 8.250 nan 0.000 0.426 773 E N 1.501 122.042 120.200 0.569 0.000 2.256 773 E HA 0.236 4.587 4.350 0.002 0.000 0.268 773 E C -1.171 175.770 176.600 0.569 0.000 0.877 773 E CA -1.212 55.542 56.400 0.590 0.000 0.757 773 E CB 2.264 32.178 29.700 0.356 0.000 1.183 773 E HN 0.433 nan 8.360 nan 0.000 0.418 774 L N 3.218 124.732 121.223 0.485 0.000 2.559 774 L HA -0.032 4.309 4.340 0.002 0.000 0.274 774 L C 0.245 177.079 176.870 -0.059 0.000 1.205 774 L CA 0.924 55.745 54.840 -0.030 0.000 0.907 774 L CB 0.150 42.263 42.059 0.091 0.000 1.153 774 L HN 0.502 nan 8.230 nan 0.000 0.490 775 K N 3.647 123.899 120.400 -0.247 0.000 2.529 775 K HA 0.467 4.788 4.320 0.002 0.000 0.215 775 K C 0.158 176.209 176.600 -0.915 0.000 1.286 775 K CA 0.485 56.389 56.287 -0.638 0.000 0.997 775 K CB 1.211 33.570 32.500 -0.236 0.000 1.063 775 K HN 0.698 nan 8.250 nan 0.000 0.590 776 G N 1.158 109.734 108.800 -0.373 0.000 2.673 776 G HA2 0.587 4.548 3.960 0.002 0.000 0.292 776 G HA3 0.587 4.548 3.960 0.002 0.000 0.292 776 G C -1.608 173.411 174.900 0.199 0.000 1.450 776 G CA -0.784 44.248 45.100 -0.113 0.000 0.837 776 G HN 0.009 nan 8.290 nan 0.000 0.505 777 F N -1.312 118.699 119.950 0.101 0.000 2.693 777 F HA 0.880 5.409 4.527 0.002 0.000 0.309 777 F C -1.166 174.682 175.800 0.080 0.000 1.129 777 F CA -1.203 56.861 58.000 0.108 0.000 0.948 777 F CB 1.991 41.139 39.000 0.247 0.000 1.315 777 F HN 0.411 nan 8.300 nan 0.000 0.447 778 E N 1.605 121.923 120.200 0.197 0.000 2.321 778 E HA 0.285 4.636 4.350 0.002 0.000 0.278 778 E C -1.821 174.842 176.600 0.104 0.000 0.902 778 E CA -0.879 55.569 56.400 0.080 0.000 0.758 778 E CB 3.076 32.777 29.700 0.002 0.000 1.213 778 E HN 0.745 nan 8.360 nan 0.000 0.426 779 K N 1.190 121.647 120.400 0.094 0.000 2.159 779 K HA 0.579 4.900 4.320 0.002 0.000 0.266 779 K C -1.111 175.500 176.600 0.018 0.000 0.975 779 K CA -0.673 55.642 56.287 0.047 0.000 0.865 779 K CB 1.602 34.151 32.500 0.082 0.000 1.087 779 K HN 0.234 nan 8.250 nan 0.000 0.446 780 V N 4.838 124.744 119.914 -0.012 0.000 2.686 780 V HA 0.253 4.374 4.120 0.002 0.000 0.306 780 V C -1.512 174.617 176.094 0.059 0.000 1.065 780 V CA -0.616 61.694 62.300 0.017 0.000 0.894 780 V CB 1.661 33.478 31.823 -0.010 0.000 1.004 780 V HN 0.912 nan 8.190 nan 0.000 0.424 781 H N 7.301 126.382 119.070 0.018 0.000 2.519 781 H HA 0.585 5.143 4.556 0.002 0.000 0.316 781 H C -1.666 173.718 175.328 0.093 0.000 1.065 781 H CA -0.496 55.587 56.048 0.057 0.000 1.264 781 H CB 1.481 31.273 29.762 0.049 0.000 1.413 781 H HN 0.585 nan 8.280 nan 0.000 0.465 782 L N 5.251 126.322 121.223 -0.254 0.000 2.376 782 L HA 0.218 4.559 4.340 0.002 0.000 0.275 782 L C 0.087 176.844 176.870 -0.188 0.000 0.987 782 L CA -0.879 53.896 54.840 -0.108 0.000 0.828 782 L CB 2.071 44.200 42.059 0.115 0.000 1.249 782 L HN 0.561 nan 8.230 nan 0.000 0.409 783 E N 2.955 123.071 120.200 -0.139 0.000 2.408 783 E HA 0.159 4.511 4.350 0.002 0.000 0.259 783 E C -2.296 174.270 176.600 -0.057 0.000 1.110 783 E CA -1.719 54.633 56.400 -0.080 0.000 0.929 783 E CB 0.124 29.809 29.700 -0.025 0.000 0.971 783 E HN 0.229 nan 8.360 nan 0.000 0.438 784 P HA -0.038 nan 4.420 nan 0.000 0.262 784 P C 0.764 178.034 177.300 -0.050 0.000 1.182 784 P CA 1.305 64.368 63.100 -0.062 0.000 0.761 784 P CB 0.306 31.972 31.700 -0.058 0.000 0.795 785 G N 1.953 110.720 108.800 -0.056 0.000 2.284 785 G HA2 -0.336 3.626 3.960 0.002 0.000 0.261 785 G HA3 -0.336 3.626 3.960 0.002 0.000 0.261 785 G C 0.340 175.230 174.900 -0.017 0.000 0.997 785 G CA 0.240 45.319 45.100 -0.035 0.000 0.621 785 G HN 0.637 nan 8.290 nan 0.000 0.534 786 E N 0.969 121.161 120.200 -0.013 0.000 2.415 786 E HA 0.387 4.739 4.350 0.002 0.000 0.263 786 E C 0.423 177.037 176.600 0.023 0.000 0.995 786 E CA -0.027 56.375 56.400 0.004 0.000 0.915 786 E CB 0.298 29.999 29.700 0.002 0.000 0.951 786 E HN 0.399 nan 8.360 nan 0.000 0.449 787 K N 3.817 124.231 120.400 0.024 0.000 2.208 787 K HA 0.418 4.740 4.320 0.002 0.000 0.247 787 K C -1.041 175.578 176.600 0.031 0.000 0.953 787 K CA -0.635 55.672 56.287 0.033 0.000 0.837 787 K CB 1.234 33.749 32.500 0.026 0.000 1.131 787 K HN 0.407 nan 8.250 nan 0.000 0.431 788 K N 0.389 120.809 120.400 0.034 0.000 2.555 788 K HA 0.333 4.655 4.320 0.002 0.000 0.279 788 K C -1.671 174.943 176.600 0.023 0.000 0.986 788 K CA -0.718 55.586 56.287 0.027 0.000 0.880 788 K CB 2.417 34.935 32.500 0.031 0.000 1.474 788 K HN 0.553 nan 8.250 nan 0.000 0.433 789 T N 1.249 115.814 114.554 0.018 0.000 2.807 789 T HA 0.446 4.798 4.350 0.002 0.000 0.279 789 T C -0.842 173.863 174.700 0.009 0.000 0.993 789 T CA -0.806 61.303 62.100 0.014 0.000 0.970 789 T CB 1.096 69.972 68.868 0.012 0.000 0.950 789 T HN 0.354 nan 8.240 nan 0.000 0.441 790 V N 1.269 121.188 119.914 0.007 0.000 2.581 790 V HA 0.722 4.844 4.120 0.002 0.000 0.303 790 V C -0.711 175.382 176.094 -0.001 0.000 1.041 790 V CA -0.960 61.340 62.300 -0.000 0.000 0.907 790 V CB 1.854 33.675 31.823 -0.004 0.000 0.994 790 V HN 0.744 nan 8.190 nan 0.000 0.442 791 N N 3.769 122.462 118.700 -0.012 0.000 2.479 791 N HA 0.571 5.312 4.740 0.002 0.000 0.261 791 N C -1.103 174.391 175.510 -0.027 0.000 0.979 791 N CA -0.133 52.908 53.050 -0.015 0.000 0.930 791 N CB 1.954 40.428 38.487 -0.021 0.000 1.172 791 N HN 0.709 nan 8.380 nan 0.000 0.499 792 I N 1.921 122.482 120.570 -0.016 0.000 2.315 792 I HA 0.167 4.338 4.170 0.002 0.000 0.291 792 I C -0.138 175.961 176.117 -0.030 0.000 1.006 792 I CA -0.242 61.044 61.300 -0.023 0.000 1.265 792 I CB 0.762 38.765 38.000 0.005 0.000 1.387 792 I HN 0.191 nan 8.210 nan 0.000 0.475 793 D N 7.506 127.874 120.400 -0.053 0.000 2.375 793 D HA 0.703 5.345 4.640 0.002 0.000 0.247 793 D C -0.664 175.593 176.300 -0.073 0.000 1.061 793 D CA -0.163 53.797 54.000 -0.068 0.000 0.834 793 D CB 1.906 42.660 40.800 -0.076 0.000 1.247 793 D HN 0.230 nan 8.370 nan 0.000 0.489 794 L N 1.223 122.395 121.223 -0.085 0.000 2.445 794 L HA 0.345 4.686 4.340 0.002 0.000 0.262 794 L C 0.014 176.797 176.870 -0.146 0.000 0.974 794 L CA -1.150 53.627 54.840 -0.106 0.000 0.822 794 L CB 2.316 44.309 42.059 -0.110 0.000 1.339 794 L HN 0.317 nan 8.230 nan 0.000 0.409 795 E N 2.786 122.891 120.200 -0.158 0.000 2.316 795 E HA 0.139 4.491 4.350 0.002 0.000 0.275 795 E C 0.765 177.218 176.600 -0.244 0.000 1.029 795 E CA -0.566 55.715 56.400 -0.198 0.000 0.871 795 E CB 1.543 31.117 29.700 -0.210 0.000 1.022 795 E HN 0.561 nan 8.360 nan 0.000 0.418 796 L N 3.576 124.656 121.223 -0.240 0.000 1.987 796 L HA -0.349 3.993 4.340 0.002 0.000 0.230 796 L C 2.615 179.336 176.870 -0.249 0.000 1.089 796 L CA 2.924 57.619 54.840 -0.242 0.000 0.802 796 L CB -0.673 41.272 42.059 -0.191 0.000 0.905 796 L HN 0.886 nan 8.230 nan 0.000 0.441 797 K N -0.656 119.588 120.400 -0.260 0.000 2.173 797 K HA -0.266 4.056 4.320 0.002 0.000 0.207 797 K C 1.231 177.712 176.600 -0.198 0.000 1.046 797 K CA 2.483 58.619 56.287 -0.250 0.000 0.929 797 K CB -0.504 31.632 32.500 -0.607 0.000 0.720 797 K HN 0.394 nan 8.250 nan 0.000 0.453 798 D N 0.235 120.462 120.400 -0.288 0.000 2.347 798 D HA 0.070 4.711 4.640 0.002 0.000 0.213 798 D C 1.526 177.702 176.300 -0.207 0.000 0.985 798 D CA 0.833 54.702 54.000 -0.218 0.000 0.879 798 D CB 0.404 41.073 40.800 -0.218 0.000 0.919 798 D HN 0.468 nan 8.370 nan 0.000 0.526 799 A N 0.219 122.840 122.820 -0.332 0.000 2.014 799 A HA 0.171 4.493 4.320 0.002 0.000 0.210 799 A C 1.726 179.037 177.584 -0.456 0.000 1.188 799 A CA 0.233 51.912 52.037 -0.597 0.000 0.731 799 A CB -0.133 18.188 19.000 -1.133 0.000 0.858 799 A HN 0.350 nan 8.150 nan 0.000 0.464 800 I N -3.955 116.472 120.570 -0.238 0.000 4.225 800 I HA 0.337 4.508 4.170 0.002 0.000 0.327 800 I C -0.354 175.846 176.117 0.138 0.000 1.422 800 I CA -0.290 60.963 61.300 -0.078 0.000 1.150 800 I CB 0.767 38.556 38.000 -0.352 0.000 1.192 800 I HN -0.088 nan 8.210 nan 0.000 0.440 801 S N 1.663 117.487 115.700 0.206 0.000 2.601 801 S HA 0.499 4.971 4.470 0.002 0.000 0.271 801 S C -0.546 174.356 174.600 0.504 0.000 1.305 801 S CA -0.303 58.118 58.200 0.367 0.000 1.022 801 S CB 0.609 64.117 63.200 0.514 0.000 0.940 801 S HN 0.480 nan 8.310 nan 0.000 0.525 802 Y N -0.591 119.934 120.300 0.375 0.000 2.630 802 Y HA 0.760 5.311 4.550 0.002 0.000 0.337 802 Y C -0.914 175.151 175.900 0.274 0.000 1.051 802 Y CA -1.823 56.484 58.100 0.346 0.000 1.121 802 Y CB 0.590 39.168 38.460 0.197 0.000 1.299 802 Y HN 0.475 nan 8.280 nan 0.000 0.498 803 F N 3.384 123.189 119.950 -0.241 0.000 2.421 803 F HA 0.301 4.830 4.527 0.003 0.000 0.358 803 F C 0.162 175.742 175.800 -0.367 0.000 1.115 803 F CA -0.468 57.102 58.000 -0.717 0.000 1.160 803 F CB 0.484 38.850 39.000 -1.057 0.000 1.123 803 F HN 0.668 nan 8.300 nan 0.000 0.508 804 N N 5.620 123.768 118.700 -0.919 0.000 2.555 804 N HA -0.024 4.718 4.740 0.002 0.000 0.244 804 N C 1.121 176.371 175.510 -0.433 0.000 1.114 804 N CA 0.299 53.111 53.050 -0.396 0.000 0.963 804 N CB 0.291 38.626 38.487 -0.254 0.000 1.276 804 N HN 0.911 nan 8.380 nan 0.000 0.510 805 E N 2.248 122.419 120.200 -0.048 0.000 2.114 805 E HA -0.278 4.074 4.350 0.002 0.000 0.199 805 E C 1.052 177.641 176.600 -0.018 0.000 1.008 805 E CA 1.430 57.875 56.400 0.075 0.000 0.810 805 E CB 0.188 29.955 29.700 0.111 0.000 0.739 805 E HN 0.720 nan 8.360 nan 0.000 0.456 806 E N -0.252 119.929 120.200 -0.031 0.000 2.110 806 E HA -0.168 4.184 4.350 0.002 0.000 0.193 806 E C 1.825 178.359 176.600 -0.109 0.000 0.988 806 E CA 1.006 57.377 56.400 -0.048 0.000 0.804 806 E CB 0.074 29.759 29.700 -0.025 0.000 0.745 806 E HN 0.308 nan 8.360 nan 0.000 0.458 807 L N -0.845 120.264 121.223 -0.191 0.000 2.607 807 L HA 0.282 4.623 4.340 0.002 0.000 0.228 807 L C 1.229 177.939 176.870 -0.267 0.000 1.123 807 L CA 0.223 54.911 54.840 -0.254 0.000 0.890 807 L CB 0.496 42.325 42.059 -0.383 0.000 1.103 807 L HN 0.248 nan 8.230 nan 0.000 0.468 808 G N 1.229 109.863 108.800 -0.276 0.000 2.305 808 G HA2 -0.306 3.656 3.960 0.002 0.000 0.287 808 G HA3 -0.306 3.656 3.960 0.002 0.000 0.287 808 G C 0.062 174.706 174.900 -0.427 0.000 1.036 808 G CA 0.540 45.508 45.100 -0.219 0.000 0.887 808 G HN 0.419 nan 8.290 nan 0.000 0.505 809 K N -1.743 118.143 120.400 -0.856 0.000 2.508 809 K HA 0.488 4.809 4.320 0.002 0.000 0.260 809 K C -0.401 175.515 176.600 -1.140 0.000 0.949 809 K CA -1.121 54.720 56.287 -0.744 0.000 0.834 809 K CB 1.430 33.747 32.500 -0.304 0.000 1.365 809 K HN 0.137 nan 8.250 nan 0.000 0.437 810 W N 1.836 122.566 121.300 -0.950 0.000 2.158 810 W HA 0.134 4.796 4.660 0.002 0.000 0.339 810 W C 0.537 176.681 176.519 -0.625 0.000 1.294 810 W CA 0.416 57.169 57.345 -0.986 0.000 1.231 810 W CB 0.336 28.729 29.460 -1.779 0.000 1.143 810 W HN 0.414 nan 8.180 nan 0.000 0.571 811 H N 1.581 120.394 119.070 -0.429 0.000 2.727 811 H HA 0.415 4.973 4.556 0.002 0.000 0.330 811 H C -1.222 174.044 175.328 -0.103 0.000 0.986 811 H CA -0.831 54.989 56.048 -0.380 0.000 1.251 811 H CB 1.172 30.587 29.762 -0.577 0.000 1.493 811 H HN 0.160 nan 8.280 nan 0.000 0.515 812 V N 5.861 125.831 119.914 0.093 0.000 2.353 812 V HA 0.053 4.174 4.120 0.002 0.000 0.264 812 V C 0.404 176.377 176.094 -0.202 0.000 1.049 812 V CA -0.146 62.165 62.300 0.019 0.000 0.896 812 V CB 0.850 32.723 31.823 0.083 0.000 1.025 812 V HN 0.761 nan 8.190 nan 0.000 0.475 813 E N 3.527 123.571 120.200 -0.259 0.000 2.283 813 E HA 0.581 4.932 4.350 0.002 0.000 0.278 813 E C 0.230 176.880 176.600 0.082 0.000 1.027 813 E CA -0.633 55.593 56.400 -0.290 0.000 0.843 813 E CB 1.357 30.955 29.700 -0.170 0.000 1.062 813 E HN 0.807 nan 8.360 nan 0.000 0.401 814 A N 3.037 125.904 122.820 0.079 0.000 2.520 814 A HA 0.506 4.828 4.320 0.002 0.000 0.245 814 A C 0.585 178.237 177.584 0.114 0.000 1.072 814 A CA 0.905 53.019 52.037 0.129 0.000 0.761 814 A CB 0.046 19.107 19.000 0.103 0.000 1.004 814 A HN 0.807 nan 8.150 nan 0.000 0.499 815 G N 1.828 110.717 108.800 0.148 0.000 2.356 815 G HA2 0.401 4.363 3.960 0.002 0.000 0.266 815 G HA3 0.401 4.363 3.960 0.002 0.000 0.266 815 G C -1.457 173.436 174.900 -0.012 0.000 1.312 815 G CA -0.594 44.510 45.100 0.007 0.000 0.922 815 G HN 0.769 nan 8.290 nan 0.000 0.480 816 E N -0.492 119.558 120.200 -0.249 0.000 2.191 816 E HA 0.738 5.089 4.350 0.002 0.000 0.274 816 E C -1.422 174.843 176.600 -0.559 0.000 0.948 816 E CA -0.395 55.863 56.400 -0.237 0.000 0.802 816 E CB 1.794 31.397 29.700 -0.162 0.000 1.137 816 E HN 0.483 nan 8.360 nan 0.000 0.397 817 Y N 0.728 120.780 120.300 -0.413 0.000 2.581 817 Y HA 0.581 5.133 4.550 0.002 0.000 0.345 817 Y C -1.060 174.641 175.900 -0.331 0.000 1.036 817 Y CA -1.302 56.551 58.100 -0.412 0.000 1.042 817 Y CB 1.713 39.769 38.460 -0.674 0.000 1.289 817 Y HN 0.393 nan 8.280 nan 0.000 0.471 818 L N 2.882 124.118 121.223 0.021 0.000 2.381 818 L HA 0.805 5.147 4.340 0.002 0.000 0.274 818 L C -1.492 175.364 176.870 -0.023 0.000 0.988 818 L CA -0.761 54.074 54.840 -0.008 0.000 0.824 818 L CB 1.738 43.784 42.059 -0.023 0.000 1.263 818 L HN 0.490 nan 8.230 nan 0.000 0.410 819 V N 3.926 123.766 119.914 -0.124 0.000 2.435 819 V HA 0.735 4.856 4.120 0.002 0.000 0.290 819 V C -0.541 175.436 176.094 -0.196 0.000 1.030 819 V CA 0.107 62.209 62.300 -0.329 0.000 0.881 819 V CB 1.807 33.302 31.823 -0.547 0.000 0.983 819 V HN 0.882 nan 8.190 nan 0.000 0.445 820 S N 5.152 120.788 115.700 -0.107 0.000 2.449 820 S HA 0.737 5.208 4.470 0.002 0.000 0.310 820 S C -0.634 174.008 174.600 0.070 0.000 1.096 820 S CA -0.509 57.691 58.200 0.000 0.000 1.095 820 S CB 1.592 64.824 63.200 0.053 0.000 1.007 820 S HN 0.800 nan 8.310 nan 0.000 0.474 821 V N 2.743 122.681 119.914 0.041 0.000 2.448 821 V HA 0.923 5.045 4.120 0.002 0.000 0.295 821 V C 0.577 176.715 176.094 0.074 0.000 1.025 821 V CA -0.285 62.055 62.300 0.067 0.000 0.859 821 V CB 1.406 33.240 31.823 0.018 0.000 0.988 821 V HN 0.998 nan 8.190 nan 0.000 0.431 822 G N 2.113 110.978 108.800 0.110 0.000 2.663 822 G HA2 0.560 4.521 3.960 0.002 0.000 0.299 822 G HA3 0.560 4.521 3.960 0.002 0.000 0.299 822 G C 0.064 174.991 174.900 0.045 0.000 1.372 822 G CA 0.310 45.457 45.100 0.078 0.000 0.781 822 G HN 0.659 nan 8.290 nan 0.000 0.491 823 T N -2.790 111.764 114.554 0.000 0.000 3.132 823 T HA 0.539 4.890 4.350 0.002 0.000 0.274 823 T C 0.605 175.241 174.700 -0.107 0.000 1.011 823 T CA 0.719 62.768 62.100 -0.085 0.000 0.899 823 T CB -0.295 68.504 68.868 -0.114 0.000 1.089 823 T HN 1.801 nan 8.240 nan 0.000 0.543 824 S N 0.150 115.848 115.700 -0.004 0.000 2.643 824 S HA 0.399 4.870 4.470 0.002 0.000 0.266 824 S C 0.909 175.551 174.600 0.071 0.000 1.130 824 S CA 0.079 58.292 58.200 0.022 0.000 0.817 824 S CB 0.819 64.063 63.200 0.075 0.000 1.107 824 S HN 0.348 nan 8.310 nan 0.000 0.471 825 S N -0.145 115.592 115.700 0.062 0.000 2.447 825 S HA -0.027 4.444 4.470 0.002 0.000 0.233 825 S C 0.817 175.325 174.600 -0.153 0.000 1.006 825 S CA 1.729 59.802 58.200 -0.211 0.000 0.957 825 S CB -0.610 62.531 63.200 -0.098 0.000 0.773 825 S HN 0.761 nan 8.310 nan 0.000 0.507 826 D N 1.062 121.458 120.400 -0.008 0.000 2.402 826 D HA 0.180 4.822 4.640 0.002 0.000 0.216 826 D C -0.750 175.568 176.300 0.029 0.000 1.128 826 D CA -0.061 53.947 54.000 0.014 0.000 0.833 826 D CB 0.132 40.957 40.800 0.043 0.000 0.971 826 D HN 0.225 nan 8.370 nan 0.000 0.503 827 D N 1.110 121.524 120.400 0.022 0.000 2.656 827 D HA 0.103 4.744 4.640 0.002 0.000 0.303 827 D C -0.216 176.093 176.300 0.015 0.000 1.199 827 D CA -0.427 53.592 54.000 0.032 0.000 0.797 827 D CB 0.734 41.566 40.800 0.054 0.000 1.170 827 D HN 0.081 nan 8.370 nan 0.000 0.509 828 I N 1.480 122.048 120.570 -0.004 0.000 2.471 828 I HA 0.097 4.269 4.170 0.002 0.000 0.286 828 I C 1.487 177.607 176.117 0.005 0.000 1.079 828 I CA 0.030 61.330 61.300 -0.000 0.000 1.398 828 I CB 0.963 38.949 38.000 -0.023 0.000 1.403 828 I HN 0.227 nan 8.210 nan 0.000 0.530 829 L N 4.259 125.488 121.223 0.009 0.000 2.966 829 L HA 0.271 4.612 4.340 0.002 0.000 0.262 829 L C 0.391 177.260 176.870 -0.002 0.000 1.165 829 L CA 0.185 55.030 54.840 0.007 0.000 0.978 829 L CB 0.430 42.498 42.059 0.014 0.000 1.337 829 L HN 0.659 nan 8.230 nan 0.000 0.563 830 S N 0.146 115.839 115.700 -0.011 0.000 2.606 830 S HA 0.550 5.022 4.470 0.002 0.000 0.290 830 S C -1.299 173.269 174.600 -0.054 0.000 1.103 830 S CA -0.546 57.637 58.200 -0.029 0.000 0.870 830 S CB 1.500 64.686 63.200 -0.022 0.000 1.077 830 S HN 0.001 nan 8.310 nan 0.000 0.448 831 V N 1.091 120.955 119.914 -0.084 0.000 3.114 831 V HA 1.018 5.140 4.120 0.002 0.000 0.308 831 V C -1.323 174.651 176.094 -0.199 0.000 1.168 831 V CA -0.814 61.413 62.300 -0.122 0.000 1.015 831 V CB 2.012 33.786 31.823 -0.083 0.000 1.050 831 V HN 0.905 nan 8.190 nan 0.000 0.433 832 K N 1.219 121.446 120.400 -0.287 0.000 2.542 832 K HA 0.659 4.980 4.320 0.002 0.000 0.259 832 K C -1.227 175.207 176.600 -0.277 0.000 0.932 832 K CA -0.256 55.767 56.287 -0.440 0.000 0.820 832 K CB 2.311 34.181 32.500 -1.051 0.000 1.345 832 K HN 1.208 nan 8.250 nan 0.000 0.432 833 E N 2.757 122.892 120.200 -0.109 0.000 2.244 833 E HA 0.731 5.083 4.350 0.002 0.000 0.266 833 E C -1.186 175.615 176.600 0.335 0.000 0.914 833 E CA -0.648 55.788 56.400 0.059 0.000 0.794 833 E CB 0.936 30.635 29.700 -0.002 0.000 1.210 833 E HN 0.358 nan 8.360 nan 0.000 0.414 834 F N -0.361 119.737 119.950 0.247 0.000 2.643 834 F HA 0.727 5.256 4.527 0.002 0.000 0.314 834 F C -0.861 175.090 175.800 0.252 0.000 1.096 834 F CA -1.434 56.734 58.000 0.280 0.000 0.953 834 F CB 1.449 40.664 39.000 0.359 0.000 1.345 834 F HN 0.445 nan 8.300 nan 0.000 0.468 835 K N 1.031 121.627 120.400 0.326 0.000 2.164 835 K HA 0.721 5.043 4.320 0.002 0.000 0.258 835 K C -1.821 174.968 176.600 0.316 0.000 0.951 835 K CA -0.704 55.712 56.287 0.214 0.000 0.844 835 K CB 2.014 34.608 32.500 0.157 0.000 1.099 835 K HN 0.673 nan 8.250 nan 0.000 0.435 836 V N 5.525 125.611 119.914 0.286 0.000 2.347 836 V HA 0.137 4.258 4.120 0.002 0.000 0.280 836 V C 0.607 176.803 176.094 0.171 0.000 1.021 836 V CA -0.390 62.062 62.300 0.253 0.000 0.847 836 V CB 1.068 33.038 31.823 0.245 0.000 0.990 836 V HN 0.983 nan 8.190 nan 0.000 0.444 837 E N 4.616 124.896 120.200 0.134 0.000 2.046 837 E HA -0.045 4.307 4.350 0.002 0.000 0.190 837 E C 0.558 177.212 176.600 0.090 0.000 0.982 837 E CA 0.567 57.027 56.400 0.101 0.000 0.800 837 E CB 0.186 29.935 29.700 0.083 0.000 0.756 837 E HN 0.609 nan 8.360 nan 0.000 0.449 838 K N 2.098 122.548 120.400 0.084 0.000 2.378 838 K HA 0.211 4.533 4.320 0.002 0.000 0.252 838 K C -0.679 175.964 176.600 0.073 0.000 0.931 838 K CA -0.653 55.680 56.287 0.077 0.000 0.794 838 K CB 2.152 34.692 32.500 0.066 0.000 1.181 838 K HN 0.085 nan 8.250 nan 0.000 0.425 839 E N 2.823 123.070 120.200 0.079 0.000 2.392 839 E HA 0.315 4.667 4.350 0.002 0.000 0.259 839 E C -1.053 175.569 176.600 0.037 0.000 1.108 839 E CA -0.834 55.600 56.400 0.056 0.000 0.916 839 E CB 0.849 30.611 29.700 0.103 0.000 0.989 839 E HN 0.474 nan 8.360 nan 0.000 0.432 840 L N 2.204 123.432 121.223 0.008 0.000 2.455 840 L HA 0.429 4.771 4.340 0.002 0.000 0.264 840 L C -1.986 174.907 176.870 0.039 0.000 0.968 840 L CA -0.629 54.252 54.840 0.068 0.000 0.827 840 L CB 1.705 43.837 42.059 0.121 0.000 1.317 840 L HN 0.589 nan 8.230 nan 0.000 0.407 841 Y N 4.123 124.575 120.300 0.253 0.000 2.409 841 Y HA 0.771 5.322 4.550 0.002 0.000 0.339 841 Y C -0.617 175.455 175.900 0.286 0.000 1.033 841 Y CA -0.152 58.046 58.100 0.164 0.000 1.094 841 Y CB 1.700 40.150 38.460 -0.016 0.000 1.210 841 Y HN 0.659 nan 8.280 nan 0.000 0.456 842 W N 1.333 122.788 121.300 0.258 0.000 3.248 842 W HA 0.699 5.361 4.660 0.002 0.000 0.311 842 W C -2.332 174.379 176.519 0.319 0.000 1.258 842 W CA -1.165 56.309 57.345 0.216 0.000 1.191 842 W CB 1.370 30.912 29.460 0.136 0.000 1.389 842 W HN 0.465 nan 8.180 nan 0.000 0.561 843 K N 0.836 121.575 120.400 0.565 0.000 2.433 843 K HA 0.731 5.052 4.320 0.002 0.000 0.252 843 K C 0.295 177.277 176.600 0.636 0.000 1.015 843 K CA 0.112 56.706 56.287 0.510 0.000 0.860 843 K CB 2.271 34.968 32.500 0.329 0.000 1.359 843 K HN 0.973 nan 8.250 nan 0.000 0.452 844 G N 0.213 109.376 108.800 0.605 0.000 2.481 844 G HA2 -0.195 3.767 3.960 0.002 0.000 0.230 844 G HA3 -0.195 3.767 3.960 0.002 0.000 0.230 844 G C -1.357 173.811 174.900 0.446 0.000 1.210 844 G CA -0.581 44.835 45.100 0.528 0.000 0.936 844 G HN 0.291 nan 8.290 nan 0.000 0.583 845 L N 0.000 121.339 121.223 0.193 0.000 2.949 845 L HA 0.000 4.341 4.340 0.002 0.000 0.249 845 L CA 0.000 54.801 54.840 -0.064 0.000 0.813 845 L CB 0.000 41.987 42.059 -0.119 0.000 0.961 845 L HN 0.000 nan 8.230 nan 0.000 0.502