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 1nis_1_A DATA FIRST_RESID 2 DATA SEQUENCE RAKVAMSHFE PHEYIRYDLL EKNIDIVRKR LNRPLTLSEK IVYGHLDDPA DATA SEQUENCE NQEIERGKTY LRLRPDRVAM QDATAQMAML QFISSGLPKV AVPSTIHCDH DATA SEQUENCE LIEAQLGGEK DLRRAKDINQ EVYNFLATAG AKYGVGFWRP GSGIIHQIIL DATA SEQUENCE ENYAYPGVLL IGTDSHTPNG GGLGGICIGV GGADAVDVMA GIPWELKCPK DATA SEQUENCE VIGVKLTGSL SGWTSPKDVI LKVAGILTVK GGTGAIVEYH GPGVDSISCT DATA SEQUENCE GMATICNMGA EIGATTSVFP YNHRMKKYLS KTGRADIANL ADEFKDHLVP DATA SEQUENCE DSGCHYDQLI EINLSELKPH INGPFTPDLA HPVAEVGSVA EKEGWPLDIR DATA SEQUENCE VGLIGSCTNS SYEDMGRSAA VAKQALAHGL KCKSQFTITP GSEQIRATIE DATA SEQUENCE RDGYAQVLRD VGGIVLANAC GPCIGQWDRK DIKKGEKNTI VTSYNRNFTG DATA SEQUENCE RNDANPETHA FVTSPEIVTA LAIAGTLKFN PETDFLTGKD GKKFKLEAPD DATA SEQUENCE ADELPRAEFD PGQDTYQHPP KDSSGQRVDV SPTSQRLQLL EPFDKWDGKD DATA SEQUENCE LEDLQILIKV KGKCTTDHIS AAGPWLKFRG HLDNISNNLL IGAINSENRK DATA SEQUENCE ANSVRNAVTQ EFGPVPDTAR YYKQHGIRWV VIGDENYGEG SSREHRALEP DATA SEQUENCE RFLGGRAIIT KSFARIHETN LKKQGLLPLT FADPADYNKI HPVDKLTIQG DATA SEQUENCE LKDFAPGKPL TCIIKHPNGT QETILLNHTF NETQIEWFRA GSALNRMKEL DATA SEQUENCE QQK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.294 176.300 -0.011 0.000 0.893 2 R CA 0.000 56.126 56.100 0.043 0.000 0.921 2 R CB 0.000 30.353 30.300 0.088 0.000 0.687 3 A N 1.443 124.260 122.820 -0.005 0.000 2.304 3 A HA 0.577 4.898 4.320 0.001 0.000 0.271 3 A C -0.606 176.849 177.584 -0.215 0.000 1.091 3 A CA -0.078 51.920 52.037 -0.064 0.000 0.812 3 A CB 0.352 19.358 19.000 0.010 0.000 1.056 3 A HN 0.371 nan 8.150 nan 0.000 0.489 4 K N 1.404 121.601 120.400 -0.337 0.000 2.533 4 K HA 0.431 4.751 4.320 0.001 0.000 0.207 4 K C -1.418 174.926 176.600 -0.427 0.000 1.052 4 K CA -0.111 55.711 56.287 -0.775 0.000 1.030 4 K CB 1.169 33.151 32.500 -0.864 0.000 1.522 4 K HN 0.394 nan 8.250 nan 0.000 0.543 5 V N 2.061 121.859 119.914 -0.194 0.000 2.398 5 V HA 0.401 4.522 4.120 0.001 0.000 0.286 5 V C 0.269 176.407 176.094 0.074 0.000 1.026 5 V CA -0.912 61.354 62.300 -0.057 0.000 0.868 5 V CB 1.403 33.157 31.823 -0.115 0.000 0.982 5 V HN 0.670 nan 8.190 nan 0.000 0.443 6 A N 5.090 127.972 122.820 0.102 0.000 2.386 6 A HA 0.460 4.781 4.320 0.001 0.000 0.248 6 A C 1.138 178.646 177.584 -0.128 0.000 1.082 6 A CA -0.227 51.827 52.037 0.027 0.000 0.789 6 A CB 0.288 19.277 19.000 -0.019 0.000 1.025 6 A HN 0.910 nan 8.150 nan 0.000 0.490 7 M N 0.916 120.426 119.600 -0.151 0.000 2.296 7 M HA -0.054 4.426 4.480 0.001 0.000 0.265 7 M C 0.719 176.990 176.300 -0.048 0.000 1.064 7 M CA 1.638 56.850 55.300 -0.147 0.000 1.109 7 M CB -0.286 32.328 32.600 0.024 0.000 1.396 7 M HN 0.940 nan 8.290 nan 0.000 0.430 8 S N -2.882 112.784 115.700 -0.057 0.000 2.636 8 S HA 0.268 4.739 4.470 0.001 0.000 0.268 8 S C 0.001 174.488 174.600 -0.189 0.000 1.159 8 S CA -1.045 57.073 58.200 -0.136 0.000 0.815 8 S CB 0.509 63.772 63.200 0.104 0.000 1.130 8 S HN 0.168 nan 8.310 nan 0.000 0.471 9 H N 0.152 118.942 119.070 -0.467 0.000 2.546 9 H HA 0.260 4.817 4.556 0.000 0.000 0.277 9 H C 0.547 175.434 175.328 -0.735 0.000 1.004 9 H CA 0.701 56.360 56.048 -0.648 0.000 1.231 9 H CB -0.381 28.875 29.762 -0.844 0.000 1.382 9 H HN 0.600 nan 8.280 nan 0.000 0.580 10 F N -0.033 119.905 119.950 -0.020 0.000 2.731 10 F HA 0.206 4.733 4.527 0.000 0.000 0.298 10 F C 0.399 176.174 175.800 -0.042 0.000 1.106 10 F CA 0.030 57.985 58.000 -0.075 0.000 1.329 10 F CB 0.559 39.474 39.000 -0.142 0.000 1.100 10 F HN -0.054 nan 8.300 nan 0.000 0.592 11 E N 1.626 121.855 120.200 0.048 0.000 3.303 11 E HA 0.162 4.513 4.350 0.001 0.000 0.215 11 E C -1.901 174.406 176.600 -0.487 0.000 1.181 11 E CA -1.524 54.761 56.400 -0.191 0.000 0.998 11 E CB 0.732 30.381 29.700 -0.084 0.000 1.312 11 E HN -0.034 nan 8.360 nan 0.000 0.412 12 P HA -0.161 nan 4.420 nan 0.000 0.234 12 P C 0.276 177.418 177.300 -0.263 0.000 1.167 12 P CA 1.157 64.142 63.100 -0.191 0.000 0.763 12 P CB 0.064 31.740 31.700 -0.039 0.000 0.835 13 H N -3.561 115.375 119.070 -0.223 0.000 2.827 13 H HA 0.346 4.902 4.556 0.001 0.000 0.269 13 H C 0.325 175.210 175.328 -0.739 0.000 1.031 13 H CA -0.320 55.466 56.048 -0.437 0.000 1.202 13 H CB -0.188 29.455 29.762 -0.198 0.000 1.511 13 H HN -0.086 nan 8.280 nan 0.000 0.517 14 E N 1.739 121.449 120.200 -0.817 0.000 2.081 14 E HA 0.150 4.501 4.350 0.001 0.000 0.276 14 E C -1.090 175.247 176.600 -0.439 0.000 0.950 14 E CA -0.563 55.564 56.400 -0.454 0.000 0.776 14 E CB 0.844 30.400 29.700 -0.241 0.000 1.094 14 E HN 0.344 nan 8.360 nan 0.000 0.402 15 Y N 1.340 121.601 120.300 -0.064 0.000 2.352 15 Y HA 0.324 4.874 4.550 0.000 0.000 0.326 15 Y C 1.109 176.913 175.900 -0.159 0.000 1.166 15 Y CA -0.996 57.034 58.100 -0.116 0.000 1.182 15 Y CB 0.689 39.098 38.460 -0.085 0.000 1.216 15 Y HN 0.344 nan 8.280 nan 0.000 0.474 16 I N 4.447 124.950 120.570 -0.112 0.000 2.618 16 I HA 0.066 4.236 4.170 0.001 0.000 0.284 16 I C 0.344 176.295 176.117 -0.277 0.000 1.146 16 I CA 0.031 61.131 61.300 -0.335 0.000 1.425 16 I CB 0.344 37.891 38.000 -0.755 0.000 1.383 16 I HN 0.372 nan 8.210 nan 0.000 0.562 17 R N 6.603 126.983 120.500 -0.199 0.000 3.301 17 R HA 0.157 4.497 4.340 0.001 0.000 0.286 17 R C -0.060 176.168 176.300 -0.120 0.000 1.386 17 R CA -0.441 55.586 56.100 -0.123 0.000 1.607 17 R CB -0.174 30.110 30.300 -0.027 0.000 1.305 17 R HN 0.574 nan 8.270 nan 0.000 0.637 18 Y N 1.016 121.104 120.300 -0.352 0.000 2.439 18 Y HA -0.156 4.395 4.550 0.001 0.000 0.292 18 Y C 1.949 177.567 175.900 -0.469 0.000 1.130 18 Y CA 0.686 58.425 58.100 -0.601 0.000 1.254 18 Y CB -0.051 37.584 38.460 -1.377 0.000 1.000 18 Y HN 0.371 nan 8.280 nan 0.000 0.554 19 D N -0.493 119.843 120.400 -0.105 0.000 2.117 19 D HA -0.176 4.464 4.640 0.001 0.000 0.197 19 D C 2.066 178.384 176.300 0.030 0.000 0.987 19 D CA 0.936 54.984 54.000 0.080 0.000 0.829 19 D CB -0.615 40.243 40.800 0.097 0.000 0.961 19 D HN 0.171 nan 8.370 nan 0.000 0.460 20 L N 0.059 121.275 121.223 -0.010 0.000 2.017 20 L HA -0.079 4.262 4.340 0.001 0.000 0.208 20 L C 2.705 179.538 176.870 -0.061 0.000 1.073 20 L CA 0.911 55.736 54.840 -0.024 0.000 0.745 20 L CB -1.053 40.988 42.059 -0.031 0.000 0.894 20 L HN 0.138 nan 8.230 nan 0.000 0.432 21 L N 0.370 121.537 121.223 -0.093 0.000 2.013 21 L HA -0.261 4.080 4.340 0.001 0.000 0.212 21 L C 2.613 179.391 176.870 -0.153 0.000 1.073 21 L CA 2.097 56.859 54.840 -0.131 0.000 0.753 21 L CB -0.471 41.536 42.059 -0.086 0.000 0.890 21 L HN 0.353 nan 8.230 nan 0.000 0.432 22 E N -0.533 119.550 120.200 -0.195 0.000 2.051 22 E HA -0.304 4.046 4.350 0.001 0.000 0.192 22 E C 2.315 178.843 176.600 -0.119 0.000 0.991 22 E CA 1.425 57.626 56.400 -0.332 0.000 0.799 22 E CB -0.261 29.341 29.700 -0.163 0.000 0.748 22 E HN 0.485 nan 8.360 nan 0.000 0.449 23 K N 0.139 120.518 120.400 -0.035 0.000 2.044 23 K HA -0.218 4.102 4.320 0.001 0.000 0.210 23 K C 1.841 178.442 176.600 0.001 0.000 1.049 23 K CA 1.840 58.128 56.287 0.002 0.000 0.927 23 K CB -0.094 32.415 32.500 0.015 0.000 0.713 23 K HN 0.129 nan 8.250 nan 0.000 0.443 24 N N 0.845 119.538 118.700 -0.010 0.000 2.216 24 N HA -0.089 4.652 4.740 0.001 0.000 0.183 24 N C 1.882 177.414 175.510 0.037 0.000 1.017 24 N CA 1.001 54.060 53.050 0.014 0.000 0.861 24 N CB -0.177 38.318 38.487 0.013 0.000 0.986 24 N HN 0.250 nan 8.380 nan 0.000 0.428 25 I N 1.135 121.717 120.570 0.021 0.000 2.226 25 I HA -0.248 3.922 4.170 0.001 0.000 0.245 25 I C 1.508 177.669 176.117 0.073 0.000 1.100 25 I CA 1.197 62.535 61.300 0.062 0.000 1.374 25 I CB -0.130 37.889 38.000 0.032 0.000 1.057 25 I HN 0.026 nan 8.210 nan 0.000 0.413 26 D N 0.777 121.207 120.400 0.050 0.000 2.117 26 D HA -0.107 4.533 4.640 0.001 0.000 0.198 26 D C 2.292 178.619 176.300 0.046 0.000 0.982 26 D CA 1.220 55.255 54.000 0.059 0.000 0.828 26 D CB -0.101 40.734 40.800 0.058 0.000 0.967 26 D HN 0.329 nan 8.370 nan 0.000 0.464 27 I N 0.573 121.165 120.570 0.037 0.000 2.163 27 I HA -0.245 3.925 4.170 0.001 0.000 0.243 27 I C 2.440 178.572 176.117 0.026 0.000 1.085 27 I CA 0.758 62.075 61.300 0.028 0.000 1.347 27 I CB -0.231 37.782 38.000 0.023 0.000 1.044 27 I HN -0.100 nan 8.210 nan 0.000 0.408 28 V N 1.659 121.596 119.914 0.038 0.000 2.358 28 V HA -0.234 3.887 4.120 0.001 0.000 0.246 28 V C 2.536 178.654 176.094 0.041 0.000 1.047 28 V CA 2.190 64.508 62.300 0.030 0.000 1.035 28 V CB -0.785 31.082 31.823 0.073 0.000 0.658 28 V HN 0.538 nan 8.190 nan 0.000 0.452 29 R N 0.056 120.595 120.500 0.065 0.000 2.236 29 R HA -0.051 4.290 4.340 0.001 0.000 0.208 29 R C 1.881 178.203 176.300 0.037 0.000 1.036 29 R CA 0.845 56.981 56.100 0.060 0.000 1.001 29 R CB -0.309 30.036 30.300 0.074 0.000 0.896 29 R HN 0.241 nan 8.270 nan 0.000 0.464 30 K N 0.968 121.386 120.400 0.030 0.000 2.296 30 K HA 0.074 4.395 4.320 0.001 0.000 0.200 30 K C 1.841 178.447 176.600 0.009 0.000 1.048 30 K CA 0.993 57.292 56.287 0.020 0.000 0.966 30 K CB 0.086 32.597 32.500 0.019 0.000 0.754 30 K HN 0.256 nan 8.250 nan 0.000 0.466 31 R N -0.371 120.132 120.500 0.004 0.000 2.080 31 R HA 0.159 4.500 4.340 0.001 0.000 0.222 31 R C 1.866 178.158 176.300 -0.012 0.000 1.107 31 R CA 0.826 56.920 56.100 -0.010 0.000 0.980 31 R CB -0.098 30.187 30.300 -0.025 0.000 0.879 31 R HN 0.090 nan 8.270 nan 0.000 0.439 32 L N 0.364 121.583 121.223 -0.005 0.000 2.375 32 L HA 0.087 4.427 4.340 0.001 0.000 0.215 32 L C 0.038 176.910 176.870 0.003 0.000 1.108 32 L CA -0.015 54.823 54.840 -0.004 0.000 0.830 32 L CB -0.251 41.813 42.059 0.008 0.000 0.959 32 L HN 0.222 nan 8.230 nan 0.000 0.457 33 N N 2.176 120.882 118.700 0.010 0.000 2.714 33 N HA -0.200 4.540 4.740 0.001 0.000 0.252 33 N C -0.267 175.245 175.510 0.004 0.000 1.014 33 N CA 0.985 54.039 53.050 0.007 0.000 0.735 33 N CB -0.693 37.794 38.487 0.001 0.000 0.924 33 N HN 0.610 nan 8.380 nan 0.000 0.540 34 R N -2.222 118.285 120.500 0.012 0.000 2.710 34 R HA 0.667 5.007 4.340 0.001 0.000 0.270 34 R C -3.191 173.117 176.300 0.012 0.000 1.021 34 R CA -1.539 54.564 56.100 0.006 0.000 0.889 34 R CB 0.743 31.045 30.300 0.003 0.000 1.243 34 R HN -0.249 nan 8.270 nan 0.000 0.464 35 P HA 0.113 nan 4.420 nan 0.000 0.269 35 P C -0.909 176.385 177.300 -0.010 0.000 1.209 35 P CA -0.246 62.847 63.100 -0.012 0.000 0.776 35 P CB 0.501 32.178 31.700 -0.039 0.000 0.876 36 L N 1.508 122.727 121.223 -0.006 0.000 2.329 36 L HA 0.420 4.760 4.340 0.001 0.000 0.279 36 L C 1.154 177.985 176.870 -0.066 0.000 1.014 36 L CA -0.785 54.053 54.840 -0.003 0.000 0.814 36 L CB 1.746 43.833 42.059 0.046 0.000 1.257 36 L HN 0.442 nan 8.230 nan 0.000 0.424 37 T N -1.041 113.448 114.554 -0.109 0.000 2.726 37 T HA 0.080 4.430 4.350 0.001 0.000 0.294 37 T C 1.013 175.681 174.700 -0.052 0.000 1.013 37 T CA -0.530 61.495 62.100 -0.124 0.000 0.996 37 T CB 0.850 69.648 68.868 -0.117 0.000 1.016 37 T HN 0.462 nan 8.240 nan 0.000 0.529 38 L N 1.344 122.568 121.223 0.002 0.000 2.042 38 L HA -0.058 4.282 4.340 0.001 0.000 0.210 38 L C 2.764 179.631 176.870 -0.006 0.000 1.076 38 L CA 2.593 57.449 54.840 0.027 0.000 0.749 38 L CB -1.390 40.713 42.059 0.072 0.000 0.893 38 L HN 0.954 nan 8.230 nan 0.000 0.432 39 S N -1.540 114.146 115.700 -0.023 0.000 2.383 39 S HA -0.167 4.303 4.470 0.001 0.000 0.227 39 S C 1.772 176.256 174.600 -0.194 0.000 1.026 39 S CA 1.033 59.198 58.200 -0.060 0.000 0.981 39 S CB -0.700 62.479 63.200 -0.035 0.000 0.818 39 S HN 0.615 nan 8.310 nan 0.000 0.472 40 E N 1.716 121.736 120.200 -0.300 0.000 2.077 40 E HA -0.125 4.225 4.350 0.001 0.000 0.193 40 E C 2.182 178.459 176.600 -0.539 0.000 0.989 40 E CA 1.145 57.107 56.400 -0.731 0.000 0.800 40 E CB -0.168 29.236 29.700 -0.493 0.000 0.746 40 E HN 0.579 nan 8.360 nan 0.000 0.452 41 K N 0.443 120.737 120.400 -0.177 0.000 2.063 41 K HA -0.135 4.185 4.320 0.001 0.000 0.208 41 K C 2.163 178.772 176.600 0.016 0.000 1.048 41 K CA 1.143 57.417 56.287 -0.023 0.000 0.928 41 K CB -0.106 32.425 32.500 0.052 0.000 0.713 41 K HN 0.135 nan 8.250 nan 0.000 0.442 42 I N 0.273 120.856 120.570 0.021 0.000 2.333 42 I HA -0.213 3.958 4.170 0.001 0.000 0.246 42 I C 2.195 178.438 176.117 0.211 0.000 1.106 42 I CA 0.705 62.088 61.300 0.139 0.000 1.411 42 I CB -0.066 38.000 38.000 0.110 0.000 1.082 42 I HN -0.083 nan 8.210 nan 0.000 0.420 43 V N 0.247 120.185 119.914 0.040 0.000 2.270 43 V HA -0.273 3.847 4.120 0.001 0.000 0.245 43 V C 2.288 178.520 176.094 0.230 0.000 1.043 43 V CA 1.794 64.147 62.300 0.089 0.000 1.014 43 V CB -0.719 31.080 31.823 -0.041 0.000 0.645 43 V HN 0.294 nan 8.190 nan 0.000 0.447 44 Y N 1.318 121.688 120.300 0.117 0.000 2.421 44 Y HA 0.051 4.602 4.550 0.001 0.000 0.292 44 Y C 2.512 178.462 175.900 0.083 0.000 1.136 44 Y CA 0.478 58.630 58.100 0.087 0.000 1.255 44 Y CB -1.524 36.970 38.460 0.057 0.000 0.991 44 Y HN 0.272 nan 8.280 nan 0.000 0.552 45 G N -1.536 107.392 108.800 0.213 0.000 2.559 45 G HA2 -0.205 3.755 3.960 0.001 0.000 0.216 45 G HA3 -0.205 3.755 3.960 0.001 0.000 0.216 45 G C 0.726 175.621 174.900 -0.008 0.000 1.126 45 G CA 0.592 45.737 45.100 0.075 0.000 0.778 45 G HN 0.465 nan 8.290 nan 0.000 0.543 46 H N -0.853 118.294 119.070 0.129 0.000 2.505 46 H HA 0.385 4.941 4.556 0.001 0.000 0.286 46 H C 0.644 176.054 175.328 0.135 0.000 1.072 46 H CA -0.602 55.521 56.048 0.126 0.000 1.141 46 H CB 0.278 30.120 29.762 0.134 0.000 1.550 46 H HN 0.132 nan 8.280 nan 0.000 0.547 47 L N 0.637 121.985 121.223 0.208 0.000 2.461 47 L HA -0.028 4.312 4.340 0.001 0.000 0.272 47 L C 1.551 178.492 176.870 0.118 0.000 1.197 47 L CA 0.200 55.134 54.840 0.157 0.000 0.836 47 L CB 0.733 42.859 42.059 0.112 0.000 1.105 47 L HN 0.267 nan 8.230 nan 0.000 0.477 48 D N 0.734 121.198 120.400 0.108 0.000 2.149 48 D HA -0.154 4.486 4.640 0.001 0.000 0.201 48 D C 0.354 176.691 176.300 0.061 0.000 0.972 48 D CA 1.086 55.139 54.000 0.089 0.000 0.835 48 D CB 0.316 41.169 40.800 0.088 0.000 0.966 48 D HN 0.586 nan 8.370 nan 0.000 0.476 49 D N -1.046 119.383 120.400 0.049 0.000 2.468 49 D HA 0.192 4.832 4.640 0.001 0.000 0.272 49 D C -1.986 174.325 176.300 0.018 0.000 1.221 49 D CA -1.595 52.423 54.000 0.030 0.000 0.860 49 D CB 1.409 42.223 40.800 0.024 0.000 1.190 49 D HN -0.071 nan 8.370 nan 0.000 0.509 50 P HA -0.069 nan 4.420 nan 0.000 0.223 50 P C 1.107 178.403 177.300 -0.007 0.000 1.151 50 P CA 0.531 63.637 63.100 0.009 0.000 0.787 50 P CB 0.382 32.099 31.700 0.029 0.000 0.788 51 A N 0.331 123.151 122.820 -0.001 0.000 1.970 51 A HA -0.066 4.255 4.320 0.001 0.000 0.216 51 A C 2.035 179.611 177.584 -0.014 0.000 1.170 51 A CA 1.144 53.178 52.037 -0.005 0.000 0.645 51 A CB -0.649 18.352 19.000 0.002 0.000 0.816 51 A HN 0.162 nan 8.150 nan 0.000 0.447 52 N N -1.097 117.595 118.700 -0.014 0.000 2.273 52 N HA 0.031 4.772 4.740 0.001 0.000 0.192 52 N C 0.447 175.939 175.510 -0.029 0.000 1.132 52 N CA 0.012 53.051 53.050 -0.019 0.000 0.887 52 N CB 0.025 38.506 38.487 -0.010 0.000 1.048 52 N HN 0.511 nan 8.380 nan 0.000 0.490 53 Q N 2.702 122.481 119.800 -0.034 0.000 2.308 53 Q HA -0.069 4.271 4.340 0.001 0.000 0.313 53 Q C -0.643 175.311 176.000 -0.076 0.000 1.075 53 Q CA 0.758 56.531 55.803 -0.049 0.000 0.995 53 Q CB 0.173 28.878 28.738 -0.055 0.000 1.107 53 Q HN 0.145 nan 8.270 nan 0.000 0.380 54 E N 4.347 124.506 120.200 -0.067 0.000 2.257 54 E HA 0.201 4.552 4.350 0.001 0.000 0.278 54 E C -0.499 176.035 176.600 -0.110 0.000 1.049 54 E CA 0.039 56.393 56.400 -0.076 0.000 0.876 54 E CB 0.644 30.311 29.700 -0.055 0.000 1.035 54 E HN 0.558 nan 8.360 nan 0.000 0.419 55 I N 3.632 124.117 120.570 -0.142 0.000 2.390 55 I HA 0.219 4.389 4.170 0.001 0.000 0.283 55 I C -0.240 175.804 176.117 -0.122 0.000 1.016 55 I CA -0.239 60.941 61.300 -0.201 0.000 1.151 55 I CB 0.875 38.644 38.000 -0.385 0.000 1.293 55 I HN 0.383 nan 8.210 nan 0.000 0.458 56 E N 6.457 126.607 120.200 -0.083 0.000 2.274 56 E HA 0.344 4.694 4.350 0.001 0.000 0.269 56 E C -0.956 175.627 176.600 -0.028 0.000 0.891 56 E CA -0.903 55.469 56.400 -0.046 0.000 0.784 56 E CB 2.503 32.174 29.700 -0.049 0.000 1.225 56 E HN 0.484 nan 8.360 nan 0.000 0.412 57 R N 0.314 120.822 120.500 0.013 0.000 2.538 57 R HA 0.147 4.488 4.340 0.001 0.000 0.282 57 R C 1.140 177.430 176.300 -0.016 0.000 1.009 57 R CA 1.223 57.337 56.100 0.024 0.000 1.063 57 R CB 0.189 30.520 30.300 0.051 0.000 0.945 57 R HN 0.937 nan 8.270 nan 0.000 0.414 58 G N 1.972 110.748 108.800 -0.041 0.000 2.212 58 G HA2 -0.345 3.615 3.960 0.001 0.000 0.266 58 G HA3 -0.345 3.615 3.960 0.001 0.000 0.266 58 G C 0.759 175.592 174.900 -0.112 0.000 0.978 58 G CA 0.788 45.848 45.100 -0.066 0.000 0.632 58 G HN 0.627 nan 8.290 nan 0.000 0.537 59 K N -0.573 119.751 120.400 -0.126 0.000 2.485 59 K HA 0.148 4.468 4.320 0.001 0.000 0.200 59 K C 1.201 177.673 176.600 -0.213 0.000 1.352 59 K CA 0.954 57.151 56.287 -0.151 0.000 0.953 59 K CB 0.610 33.056 32.500 -0.091 0.000 1.387 59 K HN 0.516 nan 8.250 nan 0.000 0.512 60 T N -1.013 113.430 114.554 -0.186 0.000 2.934 60 T HA 0.383 4.733 4.350 0.001 0.000 0.283 60 T C -0.379 174.173 174.700 -0.246 0.000 1.005 60 T CA -0.565 61.436 62.100 -0.166 0.000 1.041 60 T CB 0.800 69.613 68.868 -0.092 0.000 1.042 60 T HN -0.087 nan 8.240 nan 0.000 0.505 61 Y N 0.897 121.142 120.300 -0.092 0.000 2.326 61 Y HA 0.492 5.042 4.550 0.001 0.000 0.337 61 Y C 0.296 176.131 175.900 -0.108 0.000 1.023 61 Y CA -1.022 57.007 58.100 -0.119 0.000 1.143 61 Y CB 0.890 39.262 38.460 -0.147 0.000 1.183 61 Y HN 0.486 nan 8.280 nan 0.000 0.485 62 L N 4.665 125.897 121.223 0.017 0.000 2.334 62 L HA 0.568 4.909 4.340 0.001 0.000 0.277 62 L C -0.077 176.783 176.870 -0.017 0.000 1.075 62 L CA -0.784 54.057 54.840 0.001 0.000 0.804 62 L CB 1.034 43.108 42.059 0.025 0.000 1.174 62 L HN 0.482 nan 8.230 nan 0.000 0.438 63 R N 3.371 123.882 120.500 0.018 0.000 2.265 63 R HA 0.682 5.023 4.340 0.001 0.000 0.328 63 R C -1.139 175.219 176.300 0.096 0.000 0.969 63 R CA -0.427 55.695 56.100 0.038 0.000 0.832 63 R CB 1.246 31.571 30.300 0.042 0.000 1.139 63 R HN 0.480 nan 8.270 nan 0.000 0.457 64 L N 2.321 123.636 121.223 0.153 0.000 2.333 64 L HA 0.605 4.946 4.340 0.001 0.000 0.263 64 L C 0.021 177.063 176.870 0.286 0.000 1.014 64 L CA -1.189 53.798 54.840 0.245 0.000 0.820 64 L CB 1.832 44.087 42.059 0.327 0.000 1.352 64 L HN 0.326 nan 8.230 nan 0.000 0.421 65 R N 1.591 122.256 120.500 0.275 0.000 2.396 65 R HA 0.368 4.708 4.340 0.001 0.000 0.292 65 R C -2.588 173.851 176.300 0.231 0.000 1.240 65 R CA -1.998 54.244 56.100 0.236 0.000 1.270 65 R CB 0.707 31.125 30.300 0.197 0.000 1.108 65 R HN 0.224 nan 8.270 nan 0.000 0.573 66 P HA 0.045 nan 4.420 nan 0.000 0.268 66 P C 0.287 177.613 177.300 0.044 0.000 1.208 66 P CA -0.077 63.027 63.100 0.007 0.000 0.777 66 P CB 0.996 32.612 31.700 -0.141 0.000 0.875 67 D N 1.186 121.599 120.400 0.021 0.000 2.213 67 D HA -0.010 4.630 4.640 0.001 0.000 0.205 67 D C 0.854 177.168 176.300 0.024 0.000 0.961 67 D CA 1.189 55.233 54.000 0.073 0.000 0.853 67 D CB 0.356 41.228 40.800 0.119 0.000 0.967 67 D HN 0.514 nan 8.370 nan 0.000 0.496 68 R N -1.302 119.173 120.500 -0.043 0.000 2.712 68 R HA 0.572 4.912 4.340 0.001 0.000 0.272 68 R C -1.814 174.415 176.300 -0.119 0.000 1.032 68 R CA -0.820 55.242 56.100 -0.063 0.000 0.874 68 R CB 1.234 31.505 30.300 -0.049 0.000 1.256 68 R HN -0.250 nan 8.270 nan 0.000 0.468 69 V N 0.561 120.402 119.914 -0.122 0.000 2.604 69 V HA 0.836 4.956 4.120 0.001 0.000 0.305 69 V C -0.582 175.440 176.094 -0.119 0.000 1.043 69 V CA -0.495 61.722 62.300 -0.138 0.000 0.888 69 V CB 1.589 33.331 31.823 -0.135 0.000 0.995 69 V HN 0.963 nan 8.190 nan 0.000 0.429 70 A N 5.969 128.729 122.820 -0.099 0.000 2.371 70 A HA 0.972 5.293 4.320 0.001 0.000 0.311 70 A C -0.840 176.738 177.584 -0.010 0.000 1.068 70 A CA -0.606 51.403 52.037 -0.047 0.000 0.744 70 A CB 1.556 20.504 19.000 -0.086 0.000 1.239 70 A HN 0.789 nan 8.150 nan 0.000 0.435 71 M N 1.644 121.282 119.600 0.063 0.000 2.464 71 M HA 0.415 4.895 4.480 0.001 0.000 0.308 71 M C -0.693 175.662 176.300 0.092 0.000 1.127 71 M CA -0.757 54.571 55.300 0.045 0.000 0.913 71 M CB 2.540 35.156 32.600 0.026 0.000 1.689 71 M HN 0.878 nan 8.290 nan 0.000 0.445 72 Q N 0.012 119.823 119.800 0.019 0.000 2.248 72 Q HA 0.355 4.695 4.340 0.001 0.000 0.263 72 Q C -0.019 175.987 176.000 0.010 0.000 1.007 72 Q CA -0.777 55.037 55.803 0.019 0.000 0.877 72 Q CB 0.681 29.376 28.738 -0.072 0.000 1.315 72 Q HN 0.656 nan 8.270 nan 0.000 0.454 73 D N 0.595 121.042 120.400 0.077 0.000 2.348 73 D HA -0.089 4.552 4.640 0.001 0.000 0.216 73 D C 0.983 177.335 176.300 0.087 0.000 0.970 73 D CA 1.064 55.145 54.000 0.135 0.000 0.889 73 D CB -0.290 40.656 40.800 0.244 0.000 0.912 73 D HN 0.572 nan 8.370 nan 0.000 0.524 74 A N 0.255 123.051 122.820 -0.041 0.000 2.123 74 A HA 0.063 4.383 4.320 0.001 0.000 0.214 74 A C 2.046 179.617 177.584 -0.022 0.000 1.152 74 A CA 1.451 53.458 52.037 -0.050 0.000 0.728 74 A CB -0.380 18.543 19.000 -0.129 0.000 0.814 74 A HN 0.400 nan 8.150 nan 0.000 0.464 75 T N -4.941 109.609 114.554 -0.007 0.000 2.959 75 T HA 0.454 4.804 4.350 0.001 0.000 0.254 75 T C 1.742 176.506 174.700 0.106 0.000 1.003 75 T CA 0.794 62.948 62.100 0.090 0.000 0.950 75 T CB 0.075 68.968 68.868 0.041 0.000 1.090 75 T HN 0.349 nan 8.240 nan 0.000 0.503 76 A N 1.922 124.797 122.820 0.092 0.000 2.015 76 A HA -0.033 4.288 4.320 0.001 0.000 0.219 76 A C 2.365 180.056 177.584 0.178 0.000 1.163 76 A CA 1.225 53.329 52.037 0.112 0.000 0.646 76 A CB -0.642 18.431 19.000 0.122 0.000 0.806 76 A HN 0.582 nan 8.150 nan 0.000 0.448 77 Q N -1.762 118.171 119.800 0.222 0.000 2.046 77 Q HA -0.156 4.184 4.340 0.001 0.000 0.200 77 Q C 2.070 178.210 176.000 0.233 0.000 0.975 77 Q CA 1.735 57.718 55.803 0.301 0.000 0.836 77 Q CB -0.242 28.615 28.738 0.199 0.000 0.896 77 Q HN 0.625 nan 8.270 nan 0.000 0.428 78 M N 0.151 119.858 119.600 0.178 0.000 2.349 78 M HA 0.044 4.524 4.480 0.001 0.000 0.266 78 M C 1.822 178.163 176.300 0.068 0.000 1.076 78 M CA 1.183 56.541 55.300 0.097 0.000 1.126 78 M CB -0.160 32.467 32.600 0.045 0.000 1.392 78 M HN 0.162 nan 8.290 nan 0.000 0.440 79 A N -0.089 122.780 122.820 0.082 0.000 1.898 79 A HA -0.118 4.202 4.320 0.001 0.000 0.216 79 A C 2.028 179.656 177.584 0.073 0.000 1.181 79 A CA 1.702 53.770 52.037 0.052 0.000 0.620 79 A CB -0.524 18.495 19.000 0.031 0.000 0.819 79 A HN 0.486 nan 8.150 nan 0.000 0.442 80 M N -0.493 119.172 119.600 0.107 0.000 2.200 80 M HA 0.055 4.535 4.480 0.001 0.000 0.265 80 M C 2.083 178.488 176.300 0.175 0.000 1.066 80 M CA 1.010 56.376 55.300 0.109 0.000 1.127 80 M CB -1.393 31.267 32.600 0.100 0.000 1.379 80 M HN 0.367 nan 8.290 nan 0.000 0.420 81 L N -0.305 121.045 121.223 0.212 0.000 2.083 81 L HA -0.246 4.094 4.340 0.001 0.000 0.209 81 L C 2.518 179.410 176.870 0.037 0.000 1.083 81 L CA 1.290 56.212 54.840 0.137 0.000 0.752 81 L CB -0.581 41.509 42.059 0.052 0.000 0.899 81 L HN 0.381 nan 8.230 nan 0.000 0.433 82 Q N -1.196 118.614 119.800 0.017 0.000 2.123 82 Q HA -0.193 4.148 4.340 0.001 0.000 0.199 82 Q C 2.129 178.112 176.000 -0.029 0.000 0.966 82 Q CA 1.384 57.170 55.803 -0.030 0.000 0.845 82 Q CB -0.137 28.581 28.738 -0.033 0.000 0.907 82 Q HN 0.382 nan 8.270 nan 0.000 0.439 83 F N 1.157 121.025 119.950 -0.137 0.000 2.134 83 F HA -0.171 4.357 4.527 0.001 0.000 0.299 83 F C 1.851 177.491 175.800 -0.267 0.000 1.097 83 F CA 1.105 58.975 58.000 -0.216 0.000 1.264 83 F CB -0.011 38.807 39.000 -0.304 0.000 1.001 83 F HN -0.034 nan 8.300 nan 0.000 0.479 84 I N -0.702 119.799 120.570 -0.115 0.000 2.208 84 I HA -0.343 3.828 4.170 0.001 0.000 0.245 84 I C 2.349 178.395 176.117 -0.118 0.000 1.097 84 I CA 1.552 62.790 61.300 -0.103 0.000 1.363 84 I CB -0.632 37.410 38.000 0.070 0.000 1.051 84 I HN 0.034 nan 8.210 nan 0.000 0.413 85 S N 0.442 116.076 115.700 -0.110 0.000 2.419 85 S HA -0.164 4.306 4.470 0.001 0.000 0.233 85 S C 2.119 176.617 174.600 -0.169 0.000 1.016 85 S CA 1.514 59.643 58.200 -0.119 0.000 0.974 85 S CB -0.352 62.778 63.200 -0.117 0.000 0.786 85 S HN 0.642 nan 8.310 nan 0.000 0.492 86 S N 0.919 116.458 115.700 -0.268 0.000 2.423 86 S HA 0.138 4.608 4.470 0.001 0.000 0.231 86 S C 1.764 176.200 174.600 -0.274 0.000 1.014 86 S CA 1.072 59.095 58.200 -0.296 0.000 0.965 86 S CB -0.681 62.248 63.200 -0.452 0.000 0.785 86 S HN 0.861 nan 8.310 nan 0.000 0.495 87 G N 0.611 109.242 108.800 -0.282 0.000 2.157 87 G HA2 -0.216 3.744 3.960 0.001 0.000 0.248 87 G HA3 -0.216 3.744 3.960 0.001 0.000 0.248 87 G C -0.058 174.735 174.900 -0.178 0.000 0.979 87 G CA 0.275 45.276 45.100 -0.166 0.000 0.650 87 G HN 0.554 nan 8.290 nan 0.000 0.529 88 L N 1.188 122.186 121.223 -0.375 0.000 2.371 88 L HA 0.328 4.669 4.340 0.001 0.000 0.272 88 L C -0.071 176.801 176.870 0.003 0.000 1.124 88 L CA -1.498 53.192 54.840 -0.250 0.000 0.816 88 L CB 1.175 42.993 42.059 -0.403 0.000 1.129 88 L HN -0.007 nan 8.230 nan 0.000 0.448 89 P HA -0.014 nan 4.420 nan 0.000 0.230 89 P C -0.269 177.263 177.300 0.387 0.000 1.168 89 P CA 0.722 63.974 63.100 0.253 0.000 0.793 89 P CB 0.548 32.320 31.700 0.120 0.000 0.851 90 K N 0.378 121.023 120.400 0.409 0.000 2.578 90 K HA 0.333 4.653 4.320 0.001 0.000 0.269 90 K C -1.169 175.610 176.600 0.298 0.000 0.941 90 K CA -0.938 55.538 56.287 0.316 0.000 0.847 90 K CB 1.461 34.051 32.500 0.150 0.000 1.397 90 K HN -0.192 nan 8.250 nan 0.000 0.422 91 V N 1.516 121.477 119.914 0.078 0.000 2.715 91 V HA 0.583 4.704 4.120 0.001 0.000 0.299 91 V C 0.943 177.060 176.094 0.039 0.000 1.054 91 V CA 0.588 62.859 62.300 -0.048 0.000 1.077 91 V CB 0.841 32.519 31.823 -0.241 0.000 0.972 91 V HN 0.877 nan 8.190 nan 0.000 0.484 92 A N 3.708 126.563 122.820 0.058 0.000 2.132 92 A HA 0.493 4.813 4.320 0.001 0.000 0.213 92 A C 0.914 178.525 177.584 0.046 0.000 1.154 92 A CA 0.969 53.045 52.037 0.065 0.000 0.753 92 A CB -0.363 18.687 19.000 0.083 0.000 0.826 92 A HN 1.810 nan 8.150 nan 0.000 0.469 93 V N -5.071 114.855 119.914 0.021 0.000 3.040 93 V HA 0.616 4.737 4.120 0.001 0.000 0.312 93 V C -3.294 172.808 176.094 0.012 0.000 1.115 93 V CA -3.124 59.190 62.300 0.024 0.000 0.998 93 V CB 1.245 33.075 31.823 0.013 0.000 1.042 93 V HN 0.002 nan 8.190 nan 0.000 0.433 94 P HA 0.204 nan 4.420 nan 0.000 0.258 94 P C -0.463 176.820 177.300 -0.029 0.000 1.172 94 P CA 0.930 64.052 63.100 0.036 0.000 0.762 94 P CB 0.190 31.927 31.700 0.062 0.000 0.764 95 S N 1.360 117.035 115.700 -0.042 0.000 2.549 95 S HA 0.752 5.222 4.470 0.001 0.000 0.280 95 S C -0.521 174.045 174.600 -0.057 0.000 1.109 95 S CA -0.667 57.485 58.200 -0.080 0.000 0.905 95 S CB 1.980 65.115 63.200 -0.108 0.000 1.081 95 S HN 0.530 nan 8.310 nan 0.000 0.477 96 T N -0.592 113.930 114.554 -0.054 0.000 2.903 96 T HA 0.784 5.134 4.350 0.001 0.000 0.299 96 T C -0.828 173.856 174.700 -0.027 0.000 1.093 96 T CA -0.648 61.444 62.100 -0.013 0.000 1.002 96 T CB 0.820 69.688 68.868 0.000 0.000 1.127 96 T HN 0.446 nan 8.240 nan 0.000 0.488 97 I N 1.914 122.439 120.570 -0.075 0.000 2.441 97 I HA 0.415 4.585 4.170 0.001 0.000 0.295 97 I C -0.269 175.629 176.117 -0.364 0.000 0.994 97 I CA -0.964 60.296 61.300 -0.067 0.000 1.144 97 I CB 1.539 39.598 38.000 0.098 0.000 1.314 97 I HN 0.616 nan 8.210 nan 0.000 0.445 98 H N 4.587 123.630 119.070 -0.046 0.000 2.589 98 H HA 0.293 4.849 4.556 0.001 0.000 0.335 98 H C -1.169 174.113 175.328 -0.077 0.000 1.019 98 H CA -0.563 55.431 56.048 -0.089 0.000 1.213 98 H CB 1.929 31.611 29.762 -0.135 0.000 1.472 98 H HN 0.524 nan 8.280 nan 0.000 0.508 99 C N 3.888 123.142 119.300 -0.077 0.000 2.135 99 C HA 0.104 4.564 4.460 0.001 0.000 0.345 99 C C 1.061 176.074 174.990 0.037 0.000 1.067 99 C CA -0.599 58.410 59.018 -0.014 0.000 1.517 99 C CB -1.266 26.345 27.740 -0.214 0.000 1.923 99 C HN 0.823 nan 8.230 nan 0.000 0.466 100 D N -0.788 119.685 120.400 0.122 0.000 2.486 100 D HA 0.008 4.649 4.640 0.001 0.000 0.243 100 D C 0.858 177.189 176.300 0.051 0.000 1.146 100 D CA 0.205 54.245 54.000 0.067 0.000 0.821 100 D CB -0.372 40.442 40.800 0.023 0.000 1.201 100 D HN 0.487 nan 8.370 nan 0.000 0.525 101 H N 0.024 119.121 119.070 0.046 0.000 2.553 101 H HA 0.429 4.986 4.556 0.001 0.000 0.265 101 H C 1.097 176.456 175.328 0.052 0.000 0.964 101 H CA 0.484 56.554 56.048 0.037 0.000 1.156 101 H CB 0.644 30.430 29.762 0.040 0.000 1.411 101 H HN 0.054 nan 8.280 nan 0.000 0.558 102 L N 0.377 121.704 121.223 0.174 0.000 2.910 102 L HA 0.305 4.646 4.340 0.001 0.000 0.252 102 L C -0.461 176.471 176.870 0.104 0.000 1.195 102 L CA 0.031 54.942 54.840 0.119 0.000 1.003 102 L CB 0.641 42.763 42.059 0.105 0.000 1.328 102 L HN 0.084 nan 8.230 nan 0.000 0.540 103 I N 0.781 121.407 120.570 0.093 0.000 2.306 103 I HA 0.112 4.282 4.170 0.001 0.000 0.288 103 I C 0.546 176.687 176.117 0.040 0.000 1.036 103 I CA -0.086 61.261 61.300 0.078 0.000 1.221 103 I CB 1.278 39.318 38.000 0.067 0.000 1.385 103 I HN 0.123 nan 8.210 nan 0.000 0.472 104 E N 5.685 125.912 120.200 0.046 0.000 2.316 104 E HA 0.425 4.776 4.350 0.001 0.000 0.275 104 E C -0.317 176.321 176.600 0.063 0.000 1.029 104 E CA -0.652 55.781 56.400 0.055 0.000 0.871 104 E CB 1.046 30.778 29.700 0.053 0.000 1.022 104 E HN 0.682 nan 8.360 nan 0.000 0.418 105 A N 4.457 127.325 122.820 0.081 0.000 2.404 105 A HA 0.100 4.420 4.320 0.001 0.000 0.273 105 A C 0.339 178.021 177.584 0.162 0.000 1.144 105 A CA -0.001 52.082 52.037 0.077 0.000 0.806 105 A CB 0.888 19.883 19.000 -0.009 0.000 1.080 105 A HN 0.921 nan 8.150 nan 0.000 0.509 106 Q N 1.661 121.530 119.800 0.115 0.000 2.232 106 Q HA 0.158 4.498 4.340 0.001 0.000 0.167 106 Q C 0.037 176.092 176.000 0.091 0.000 0.632 106 Q CA -0.106 55.769 55.803 0.121 0.000 0.873 106 Q CB 0.096 28.884 28.738 0.084 0.000 1.172 106 Q HN 0.577 nan 8.270 nan 0.000 0.381 107 L N 0.671 121.931 121.223 0.061 0.000 2.590 107 L HA 0.448 4.788 4.340 0.001 0.000 0.227 107 L C 0.569 177.460 176.870 0.035 0.000 1.099 107 L CA 1.477 56.345 54.840 0.046 0.000 0.872 107 L CB 0.741 42.823 42.059 0.038 0.000 1.088 107 L HN 0.458 nan 8.230 nan 0.000 0.479 108 G N -1.903 106.914 108.800 0.028 0.000 2.663 108 G HA2 0.187 4.148 3.960 0.001 0.000 0.686 108 G HA3 0.187 4.148 3.960 0.001 0.000 0.686 108 G C 0.722 175.628 174.900 0.009 0.000 1.246 108 G CA -0.311 44.795 45.100 0.010 0.000 0.795 108 G HN 0.541 nan 8.290 nan 0.000 0.627 109 G N 0.950 109.749 108.800 -0.001 0.000 3.376 109 G HA2 -0.301 3.660 3.960 0.001 0.000 0.286 109 G HA3 -0.301 3.660 3.960 0.001 0.000 0.286 109 G C 1.562 176.469 174.900 0.011 0.000 0.909 109 G CA 2.736 47.837 45.100 0.002 0.000 0.769 109 G HN 2.269 nan 8.290 nan 0.000 1.194 110 E N 0.172 120.381 120.200 0.014 0.000 2.110 110 E HA -0.067 4.284 4.350 0.001 0.000 0.193 110 E C 2.342 178.956 176.600 0.023 0.000 0.988 110 E CA 1.627 58.038 56.400 0.018 0.000 0.804 110 E CB -0.262 29.448 29.700 0.018 0.000 0.745 110 E HN 0.631 nan 8.360 nan 0.000 0.458 111 K N 0.562 120.975 120.400 0.023 0.000 2.025 111 K HA -0.126 4.195 4.320 0.001 0.000 0.207 111 K C 1.878 178.496 176.600 0.031 0.000 1.049 111 K CA 1.579 57.881 56.287 0.026 0.000 0.933 111 K CB -0.114 32.401 32.500 0.025 0.000 0.714 111 K HN 0.128 nan 8.250 nan 0.000 0.438 112 D N 0.930 121.349 120.400 0.030 0.000 2.144 112 D HA -0.145 4.495 4.640 0.001 0.000 0.199 112 D C 1.839 178.166 176.300 0.044 0.000 0.984 112 D CA 0.762 54.784 54.000 0.036 0.000 0.834 112 D CB -0.129 40.689 40.800 0.031 0.000 0.955 112 D HN 0.015 nan 8.370 nan 0.000 0.465 113 L N 1.138 122.385 121.223 0.039 0.000 2.027 113 L HA -0.091 4.249 4.340 0.001 0.000 0.206 113 L C 2.200 179.107 176.870 0.062 0.000 1.074 113 L CA 1.552 56.421 54.840 0.048 0.000 0.745 113 L CB -0.213 41.863 42.059 0.028 0.000 0.898 113 L HN -0.155 nan 8.230 nan 0.000 0.433 114 R N -0.743 119.787 120.500 0.049 0.000 2.091 114 R HA -0.207 4.133 4.340 0.001 0.000 0.238 114 R C 2.456 178.792 176.300 0.060 0.000 1.136 114 R CA 1.778 57.909 56.100 0.052 0.000 0.959 114 R CB -0.532 29.791 30.300 0.038 0.000 0.856 114 R HN 0.389 nan 8.270 nan 0.000 0.437 115 R N 0.703 121.234 120.500 0.053 0.000 2.073 115 R HA -0.122 4.218 4.340 0.001 0.000 0.234 115 R C 2.230 178.568 176.300 0.062 0.000 1.134 115 R CA 1.546 57.675 56.100 0.048 0.000 0.952 115 R CB -0.249 30.073 30.300 0.038 0.000 0.850 115 R HN 0.233 nan 8.270 nan 0.000 0.433 116 A N 1.257 124.130 122.820 0.089 0.000 1.902 116 A HA -0.180 4.141 4.320 0.001 0.000 0.217 116 A C 1.957 179.669 177.584 0.213 0.000 1.181 116 A CA 1.655 53.770 52.037 0.131 0.000 0.623 116 A CB -0.337 18.770 19.000 0.179 0.000 0.818 116 A HN 0.354 nan 8.150 nan 0.000 0.443 117 K N -0.806 119.740 120.400 0.244 0.000 2.211 117 K HA -0.150 4.170 4.320 0.001 0.000 0.203 117 K C 1.657 178.366 176.600 0.181 0.000 1.050 117 K CA 1.436 57.908 56.287 0.308 0.000 0.945 117 K CB -0.129 32.483 32.500 0.188 0.000 0.732 117 K HN 0.638 nan 8.250 nan 0.000 0.451 118 D N 0.946 121.407 120.400 0.101 0.000 2.146 118 D HA -0.031 4.609 4.640 0.001 0.000 0.209 118 D C 1.769 178.080 176.300 0.018 0.000 0.973 118 D CA 0.703 54.736 54.000 0.055 0.000 0.860 118 D CB 0.082 40.907 40.800 0.041 0.000 1.015 118 D HN -0.008 nan 8.370 nan 0.000 0.465 119 I N 0.508 121.079 120.570 0.000 0.000 2.236 119 I HA -0.244 3.926 4.170 0.001 0.000 0.249 119 I C 1.130 177.188 176.117 -0.099 0.000 1.102 119 I CA 1.053 62.328 61.300 -0.042 0.000 1.365 119 I CB -0.268 37.708 38.000 -0.041 0.000 1.051 119 I HN 0.154 nan 8.210 nan 0.000 0.420 120 N N 0.026 118.629 118.700 -0.162 0.000 2.214 120 N HA 0.002 4.742 4.740 0.001 0.000 0.214 120 N C 1.388 176.674 175.510 -0.374 0.000 1.132 120 N CA 0.005 52.824 53.050 -0.385 0.000 0.856 120 N CB 0.389 38.408 38.487 -0.779 0.000 1.020 120 N HN 0.419 nan 8.380 nan 0.000 0.509 121 Q N 1.267 121.003 119.800 -0.106 0.000 2.133 121 Q HA -0.225 4.115 4.340 0.001 0.000 0.208 121 Q C 1.597 177.609 176.000 0.019 0.000 0.991 121 Q CA 1.575 57.391 55.803 0.022 0.000 0.867 121 Q CB 0.136 28.902 28.738 0.047 0.000 0.911 121 Q HN 0.476 nan 8.270 nan 0.000 0.417 122 E N -0.795 119.394 120.200 -0.018 0.000 2.077 122 E HA -0.167 4.184 4.350 0.001 0.000 0.193 122 E C 1.942 178.573 176.600 0.051 0.000 0.989 122 E CA 1.346 57.756 56.400 0.017 0.000 0.800 122 E CB 0.151 29.848 29.700 -0.007 0.000 0.746 122 E HN 0.207 nan 8.360 nan 0.000 0.452 123 V N 0.406 120.305 119.914 -0.025 0.000 2.379 123 V HA -0.210 3.910 4.120 0.001 0.000 0.245 123 V C 1.998 178.217 176.094 0.210 0.000 1.044 123 V CA 1.486 63.815 62.300 0.047 0.000 1.036 123 V CB -0.606 31.163 31.823 -0.090 0.000 0.664 123 V HN 0.344 nan 8.190 nan 0.000 0.453 124 Y N 0.622 121.019 120.300 0.163 0.000 2.274 124 Y HA -0.171 4.379 4.550 0.001 0.000 0.290 124 Y C 2.380 178.327 175.900 0.079 0.000 1.145 124 Y CA 1.252 59.469 58.100 0.195 0.000 1.203 124 Y CB -1.210 37.365 38.460 0.191 0.000 0.984 124 Y HN 0.335 nan 8.280 nan 0.000 0.533 125 N N -0.442 118.384 118.700 0.211 0.000 2.084 125 N HA -0.217 4.524 4.740 0.001 0.000 0.190 125 N C 1.731 177.267 175.510 0.043 0.000 1.030 125 N CA 1.313 54.406 53.050 0.073 0.000 0.849 125 N CB -0.487 38.049 38.487 0.082 0.000 1.012 125 N HN 0.217 nan 8.380 nan 0.000 0.423 126 F N 0.989 120.943 119.950 0.006 0.000 2.102 126 F HA -0.084 4.444 4.527 0.000 0.000 0.298 126 F C 1.731 177.529 175.800 -0.004 0.000 1.105 126 F CA 1.315 59.320 58.000 0.008 0.000 1.239 126 F CB -0.406 38.617 39.000 0.038 0.000 0.991 126 F HN 0.026 nan 8.300 nan 0.000 0.474 127 L N -0.008 121.221 121.223 0.010 0.000 2.056 127 L HA -0.160 4.181 4.340 0.001 0.000 0.207 127 L C 2.827 179.475 176.870 -0.369 0.000 1.078 127 L CA 1.134 55.922 54.840 -0.087 0.000 0.749 127 L CB -1.190 41.070 42.059 0.334 0.000 0.901 127 L HN 0.276 nan 8.230 nan 0.000 0.433 128 A N -0.599 121.779 122.820 -0.737 0.000 1.933 128 A HA -0.192 4.129 4.320 0.001 0.000 0.218 128 A C 2.363 179.599 177.584 -0.579 0.000 1.175 128 A CA 2.332 53.669 52.037 -1.168 0.000 0.628 128 A CB -0.823 17.482 19.000 -1.159 0.000 0.814 128 A HN 0.373 nan 8.150 nan 0.000 0.444 129 T N -0.073 114.240 114.554 -0.401 0.000 2.812 129 T HA 0.087 4.438 4.350 0.001 0.000 0.264 129 T C 2.214 176.731 174.700 -0.304 0.000 1.042 129 T CA 1.346 63.267 62.100 -0.297 0.000 1.140 129 T CB -0.333 68.415 68.868 -0.201 0.000 0.870 129 T HN 0.563 nan 8.240 nan 0.000 0.445 130 A N 1.239 123.837 122.820 -0.370 0.000 1.969 130 A HA 0.199 4.519 4.320 0.001 0.000 0.218 130 A C 2.551 180.070 177.584 -0.109 0.000 1.169 130 A CA 1.668 53.566 52.037 -0.231 0.000 0.635 130 A CB -1.210 17.532 19.000 -0.430 0.000 0.810 130 A HN 0.495 nan 8.150 nan 0.000 0.445 131 G N -0.262 108.420 108.800 -0.196 0.000 2.421 131 G HA2 -0.010 3.950 3.960 0.001 0.000 0.216 131 G HA3 -0.010 3.950 3.960 0.001 0.000 0.216 131 G C 1.752 176.546 174.900 -0.178 0.000 1.171 131 G CA 1.393 46.407 45.100 -0.144 0.000 0.775 131 G HN 0.766 nan 8.290 nan 0.000 0.543 132 A N 0.472 123.147 122.820 -0.242 0.000 1.933 132 A HA 0.005 4.325 4.320 0.001 0.000 0.218 132 A C 2.213 179.657 177.584 -0.233 0.000 1.175 132 A CA 2.121 54.019 52.037 -0.232 0.000 0.628 132 A CB -0.363 18.497 19.000 -0.234 0.000 0.814 132 A HN 0.416 nan 8.150 nan 0.000 0.444 133 K N -1.765 118.451 120.400 -0.306 0.000 2.031 133 K HA -0.109 4.211 4.320 0.001 0.000 0.205 133 K C 1.146 177.449 176.600 -0.495 0.000 1.049 133 K CA 1.407 57.421 56.287 -0.455 0.000 0.939 133 K CB -0.201 31.894 32.500 -0.676 0.000 0.717 133 K HN 0.515 nan 8.250 nan 0.000 0.438 134 Y N -0.283 119.962 120.300 -0.092 0.000 2.457 134 Y HA 0.262 4.812 4.550 0.000 0.000 0.263 134 Y C 0.900 176.728 175.900 -0.119 0.000 1.164 134 Y CA 0.282 58.339 58.100 -0.071 0.000 1.274 134 Y CB 0.916 39.312 38.460 -0.107 0.000 1.097 134 Y HN 0.332 nan 8.280 nan 0.000 0.523 135 G N 0.632 109.407 108.800 -0.043 0.000 2.248 135 G HA2 -0.197 3.764 3.960 0.001 0.000 0.252 135 G HA3 -0.197 3.764 3.960 0.001 0.000 0.252 135 G C -0.653 174.193 174.900 -0.090 0.000 1.085 135 G CA 0.013 45.065 45.100 -0.079 0.000 0.845 135 G HN 0.106 nan 8.290 nan 0.000 0.494 136 V N 0.357 120.212 119.914 -0.097 0.000 2.398 136 V HA 0.774 4.894 4.120 0.001 0.000 0.286 136 V C 1.229 177.276 176.094 -0.079 0.000 1.026 136 V CA -0.146 62.106 62.300 -0.080 0.000 0.868 136 V CB 1.653 33.428 31.823 -0.079 0.000 0.982 136 V HN 0.823 nan 8.190 nan 0.000 0.443 137 G N 2.980 111.765 108.800 -0.025 0.000 2.483 137 G HA2 0.401 4.361 3.960 0.001 0.000 0.248 137 G HA3 0.401 4.361 3.960 0.001 0.000 0.248 137 G C -1.117 173.804 174.900 0.035 0.000 1.248 137 G CA 0.025 45.126 45.100 0.002 0.000 0.838 137 G HN 0.551 nan 8.290 nan 0.000 0.566 138 F N 1.589 121.331 119.950 -0.347 0.000 2.507 138 F HA 0.601 5.129 4.527 0.001 0.000 0.328 138 F C -1.387 174.225 175.800 -0.314 0.000 1.136 138 F CA -1.804 56.038 58.000 -0.264 0.000 0.930 138 F CB 1.417 40.253 39.000 -0.274 0.000 1.166 138 F HN 0.441 nan 8.300 nan 0.000 0.436 139 W N 7.177 128.037 121.300 -0.733 0.000 2.314 139 W HA 0.565 5.225 4.660 0.001 0.000 0.310 139 W C 0.193 176.232 176.519 -0.800 0.000 1.075 139 W CA -0.559 56.477 57.345 -0.514 0.000 1.253 139 W CB 1.015 30.251 29.460 -0.374 0.000 1.238 139 W HN 0.392 nan 8.180 nan 0.000 0.440 140 R N 4.183 124.429 120.500 -0.423 0.000 2.784 140 R HA 0.114 4.454 4.340 0.001 0.000 0.266 140 R C -1.951 174.167 176.300 -0.304 0.000 1.044 140 R CA -1.386 54.477 56.100 -0.395 0.000 1.151 140 R CB -0.330 29.901 30.300 -0.116 0.000 1.037 140 R HN 0.122 nan 8.270 nan 0.000 0.478 141 P HA -0.104 nan 4.420 nan 0.000 0.262 141 P C 0.532 177.753 177.300 -0.130 0.000 1.182 141 P CA 0.946 63.861 63.100 -0.307 0.000 0.761 141 P CB 0.605 31.985 31.700 -0.533 0.000 0.795 142 G N 2.630 111.393 108.800 -0.062 0.000 2.279 142 G HA2 -0.336 3.624 3.960 0.001 0.000 0.223 142 G HA3 -0.336 3.624 3.960 0.001 0.000 0.223 142 G C 1.376 176.282 174.900 0.010 0.000 1.015 142 G CA 0.544 45.633 45.100 -0.019 0.000 0.621 142 G HN 0.583 nan 8.290 nan 0.000 0.506 143 S N 0.306 116.026 115.700 0.033 0.000 2.387 143 S HA 0.382 4.852 4.470 0.001 0.000 0.230 143 S C 1.746 176.380 174.600 0.058 0.000 1.035 143 S CA 1.931 60.204 58.200 0.123 0.000 1.014 143 S CB -0.122 63.252 63.200 0.290 0.000 0.836 143 S HN 2.626 nan 8.310 nan 0.000 0.466 144 G N -0.115 108.684 108.800 -0.001 0.000 2.359 144 G HA2 0.267 4.228 3.960 0.001 0.000 0.314 144 G HA3 0.267 4.228 3.960 0.001 0.000 0.314 144 G C -1.185 173.662 174.900 -0.088 0.000 1.364 144 G CA -0.741 44.326 45.100 -0.056 0.000 0.978 144 G HN 0.356 nan 8.290 nan 0.000 0.615 145 I N 1.281 121.773 120.570 -0.130 0.000 2.474 145 I HA 0.233 4.404 4.170 0.001 0.000 0.287 145 I C 2.135 178.082 176.117 -0.284 0.000 1.048 145 I CA -0.402 60.796 61.300 -0.171 0.000 1.383 145 I CB 1.401 39.303 38.000 -0.164 0.000 1.412 145 I HN 0.672 nan 8.210 nan 0.000 0.531 146 I N 5.199 125.534 120.570 -0.393 0.000 2.143 146 I HA -0.396 3.774 4.170 0.001 0.000 0.245 146 I C 2.224 177.926 176.117 -0.690 0.000 1.068 146 I CA 2.015 62.884 61.300 -0.719 0.000 1.326 146 I CB -0.101 37.483 38.000 -0.693 0.000 1.028 146 I HN 0.677 nan 8.210 nan 0.000 0.412 147 H N -0.443 118.492 119.070 -0.226 0.000 2.470 147 H HA -0.093 4.463 4.556 0.000 0.000 0.289 147 H C 2.054 177.281 175.328 -0.167 0.000 1.033 147 H CA 1.294 57.236 56.048 -0.176 0.000 1.331 147 H CB -0.166 29.536 29.762 -0.101 0.000 1.414 147 H HN 0.475 nan 8.280 nan 0.000 0.545 148 Q N 0.385 120.115 119.800 -0.118 0.000 2.096 148 Q HA -0.028 4.313 4.340 0.001 0.000 0.197 148 Q C 2.152 178.046 176.000 -0.175 0.000 0.964 148 Q CA 0.595 56.332 55.803 -0.111 0.000 0.838 148 Q CB 0.027 28.702 28.738 -0.105 0.000 0.906 148 Q HN 0.208 nan 8.270 nan 0.000 0.444 149 I N 0.369 120.765 120.570 -0.290 0.000 2.226 149 I HA -0.250 3.921 4.170 0.001 0.000 0.245 149 I C 2.123 178.078 176.117 -0.269 0.000 1.100 149 I CA 1.320 62.369 61.300 -0.419 0.000 1.374 149 I CB -0.945 36.649 38.000 -0.677 0.000 1.057 149 I HN 0.312 nan 8.210 nan 0.000 0.413 150 I N 0.049 120.514 120.570 -0.175 0.000 2.202 150 I HA -0.300 3.870 4.170 0.001 0.000 0.242 150 I C 2.548 178.683 176.117 0.030 0.000 1.091 150 I CA 1.024 62.345 61.300 0.035 0.000 1.368 150 I CB -0.252 37.731 38.000 -0.028 0.000 1.058 150 I HN 0.145 nan 8.210 nan 0.000 0.410 151 L N 0.788 122.007 121.223 -0.006 0.000 2.079 151 L HA -0.227 4.113 4.340 0.001 0.000 0.210 151 L C 2.301 179.235 176.870 0.106 0.000 1.081 151 L CA 1.923 56.787 54.840 0.039 0.000 0.752 151 L CB -0.443 41.608 42.059 -0.012 0.000 0.896 151 L HN 0.197 nan 8.230 nan 0.000 0.433 152 E N -1.237 118.960 120.200 -0.006 0.000 2.285 152 E HA -0.070 4.280 4.350 0.001 0.000 0.194 152 E C 1.144 177.635 176.600 -0.183 0.000 0.997 152 E CA 0.869 57.211 56.400 -0.096 0.000 0.845 152 E CB 0.097 29.670 29.700 -0.212 0.000 0.782 152 E HN 0.617 nan 8.360 nan 0.000 0.491 153 N N -1.476 117.088 118.700 -0.226 0.000 2.272 153 N HA 0.045 4.785 4.740 0.001 0.000 0.228 153 N C 0.508 175.749 175.510 -0.448 0.000 1.206 153 N CA 0.322 53.115 53.050 -0.428 0.000 0.855 153 N CB 0.631 38.708 38.487 -0.683 0.000 1.248 153 N HN 0.103 nan 8.380 nan 0.000 0.476 154 Y N 0.995 121.320 120.300 0.041 0.000 2.494 154 Y HA 0.467 5.017 4.550 0.001 0.000 0.271 154 Y C 0.872 176.839 175.900 0.112 0.000 1.113 154 Y CA -0.661 57.493 58.100 0.090 0.000 1.240 154 Y CB 0.221 38.716 38.460 0.059 0.000 1.268 154 Y HN -0.127 nan 8.280 nan 0.000 0.510 155 A N 1.041 123.978 122.820 0.194 0.000 2.401 155 A HA 0.553 4.873 4.320 0.001 0.000 0.259 155 A C -0.925 176.757 177.584 0.163 0.000 1.103 155 A CA -0.038 52.042 52.037 0.071 0.000 0.789 155 A CB -0.565 18.460 19.000 0.042 0.000 1.035 155 A HN 0.378 nan 8.150 nan 0.000 0.491 156 Y N -0.753 119.591 120.300 0.074 0.000 2.638 156 Y HA 0.684 5.234 4.550 0.000 0.000 0.335 156 Y C -3.295 172.659 175.900 0.092 0.000 1.155 156 Y CA -3.384 54.759 58.100 0.072 0.000 1.046 156 Y CB 0.311 38.796 38.460 0.041 0.000 1.303 156 Y HN 0.385 nan 8.280 nan 0.000 0.460 157 P HA 0.200 nan 4.420 nan 0.000 0.261 157 P C 0.749 178.201 177.300 0.254 0.000 1.183 157 P CA 2.523 65.714 63.100 0.152 0.000 0.761 157 P CB 0.593 32.230 31.700 -0.105 0.000 0.785 158 G N 1.644 110.532 108.800 0.146 0.000 2.176 158 G HA2 -0.236 3.724 3.960 0.001 0.000 0.253 158 G HA3 -0.236 3.724 3.960 0.001 0.000 0.253 158 G C 0.247 175.260 174.900 0.188 0.000 0.979 158 G CA -0.036 45.195 45.100 0.219 0.000 0.641 158 G HN 0.659 nan 8.290 nan 0.000 0.530 159 V N 0.747 120.556 119.914 -0.175 0.000 2.924 159 V HA 0.641 4.761 4.120 0.001 0.000 0.305 159 V C 0.462 176.411 176.094 -0.242 0.000 1.073 159 V CA 0.073 62.152 62.300 -0.369 0.000 1.098 159 V CB 1.478 32.742 31.823 -0.932 0.000 1.000 159 V HN 0.853 nan 8.190 nan 0.000 0.484 160 L N 7.506 128.510 121.223 -0.365 0.000 2.316 160 L HA 0.609 4.949 4.340 0.001 0.000 0.280 160 L C -0.859 175.844 176.870 -0.278 0.000 1.006 160 L CA 0.154 54.724 54.840 -0.448 0.000 0.836 160 L CB 1.133 42.691 42.059 -0.835 0.000 1.221 160 L HN 0.714 nan 8.230 nan 0.000 0.418 161 L N 6.503 127.594 121.223 -0.219 0.000 2.365 161 L HA 0.727 5.067 4.340 0.001 0.000 0.273 161 L C -0.874 175.861 176.870 -0.225 0.000 1.000 161 L CA -0.721 54.002 54.840 -0.195 0.000 0.819 161 L CB 1.720 43.683 42.059 -0.159 0.000 1.284 161 L HN 0.764 nan 8.230 nan 0.000 0.418 162 I N 1.304 121.707 120.570 -0.277 0.000 2.603 162 I HA 0.948 5.118 4.170 0.001 0.000 0.300 162 I C -0.219 175.775 176.117 -0.204 0.000 1.017 162 I CA -0.513 60.590 61.300 -0.327 0.000 1.098 162 I CB 1.984 39.611 38.000 -0.622 0.000 1.279 162 I HN 0.588 nan 8.210 nan 0.000 0.437 163 G N 1.829 110.549 108.800 -0.135 0.000 2.638 163 G HA2 0.501 4.462 3.960 0.001 0.000 0.302 163 G HA3 0.501 4.462 3.960 0.001 0.000 0.302 163 G C -0.371 174.509 174.900 -0.033 0.000 1.365 163 G CA -0.626 44.437 45.100 -0.063 0.000 0.987 163 G HN 0.795 nan 8.290 nan 0.000 0.495 164 T N -1.071 113.470 114.554 -0.021 0.000 4.313 164 T HA 0.448 4.798 4.350 0.001 0.000 0.272 164 T C -0.396 174.316 174.700 0.019 0.000 1.298 164 T CA -0.320 61.779 62.100 -0.001 0.000 1.124 164 T CB -0.239 68.628 68.868 -0.002 0.000 1.352 164 T HN 0.519 nan 8.240 nan 0.000 1.013 165 D N 0.194 120.621 120.400 0.046 0.000 2.787 165 D HA 0.250 4.890 4.640 0.001 0.000 0.215 165 D C 0.876 177.201 176.300 0.042 0.000 1.246 165 D CA -0.274 53.777 54.000 0.084 0.000 0.798 165 D CB 1.256 42.172 40.800 0.193 0.000 1.649 165 D HN 0.128 nan 8.370 nan 0.000 0.507 166 S N 1.923 117.603 115.700 -0.034 0.000 2.515 166 S HA -0.092 4.378 4.470 0.001 0.000 0.231 166 S C 0.851 175.238 174.600 -0.355 0.000 0.987 166 S CA 0.776 58.877 58.200 -0.166 0.000 0.936 166 S CB -0.278 62.806 63.200 -0.193 0.000 0.766 166 S HN 0.611 nan 8.310 nan 0.000 0.528 167 H N 0.857 119.890 119.070 -0.061 0.000 2.538 167 H HA 0.286 4.843 4.556 0.001 0.000 0.286 167 H C 1.473 176.322 175.328 -0.798 0.000 1.035 167 H CA 0.463 56.333 56.048 -0.297 0.000 1.169 167 H CB -0.009 29.633 29.762 -0.201 0.000 1.417 167 H HN 0.356 nan 8.280 nan 0.000 0.567 168 T N 1.051 115.339 114.554 -0.443 0.000 2.778 168 T HA -0.129 4.222 4.350 0.001 0.000 0.269 168 T C -0.671 173.901 174.700 -0.213 0.000 1.050 168 T CA 0.919 62.844 62.100 -0.291 0.000 1.137 168 T CB -0.889 67.948 68.868 -0.051 0.000 0.860 168 T HN 0.368 nan 8.240 nan 0.000 0.468 169 P HA -0.096 nan 4.420 nan 0.000 0.224 169 P C 1.125 178.387 177.300 -0.063 0.000 1.142 169 P CA 0.810 63.870 63.100 -0.066 0.000 0.778 169 P CB -0.251 31.437 31.700 -0.021 0.000 0.764 170 N N -0.260 118.359 118.700 -0.135 0.000 2.132 170 N HA -0.160 4.580 4.740 0.001 0.000 0.191 170 N C 1.822 177.291 175.510 -0.068 0.000 1.015 170 N CA 1.766 54.750 53.050 -0.110 0.000 0.864 170 N CB -0.969 37.425 38.487 -0.156 0.000 1.006 170 N HN 0.049 nan 8.380 nan 0.000 0.430 171 G N -1.149 107.616 108.800 -0.058 0.000 2.559 171 G HA2 -0.109 3.851 3.960 0.001 0.000 0.216 171 G HA3 -0.109 3.851 3.960 0.001 0.000 0.216 171 G C 1.373 176.265 174.900 -0.013 0.000 1.126 171 G CA 0.581 45.661 45.100 -0.034 0.000 0.778 171 G HN 0.440 nan 8.290 nan 0.000 0.543 172 G N 0.807 109.616 108.800 0.014 0.000 2.470 172 G HA2 0.043 4.004 3.960 0.001 0.000 0.220 172 G HA3 0.043 4.004 3.960 0.001 0.000 0.220 172 G C 1.599 176.569 174.900 0.117 0.000 1.121 172 G CA 1.011 46.160 45.100 0.082 0.000 0.766 172 G HN 0.498 nan 8.290 nan 0.000 0.553 173 G N -0.196 108.612 108.800 0.012 0.000 2.559 173 G HA2 0.060 4.020 3.960 0.001 0.000 0.216 173 G HA3 0.060 4.020 3.960 0.001 0.000 0.216 173 G C 0.945 175.791 174.900 -0.091 0.000 1.126 173 G CA 0.223 45.256 45.100 -0.112 0.000 0.778 173 G HN 0.363 nan 8.290 nan 0.000 0.543 174 L N 0.360 121.579 121.223 -0.007 0.000 3.141 174 L HA 0.454 4.794 4.340 0.001 0.000 0.267 174 L C 1.441 178.381 176.870 0.117 0.000 1.281 174 L CA 0.009 54.883 54.840 0.058 0.000 1.037 174 L CB -0.072 42.025 42.059 0.064 0.000 1.407 174 L HN 0.278 nan 8.230 nan 0.000 0.566 175 G N -0.661 108.221 108.800 0.137 0.000 2.153 175 G HA2 -0.219 3.741 3.960 0.001 0.000 0.252 175 G HA3 -0.219 3.741 3.960 0.001 0.000 0.252 175 G C 0.604 175.564 174.900 0.100 0.000 0.994 175 G CA 0.179 45.377 45.100 0.163 0.000 0.698 175 G HN 0.808 nan 8.290 nan 0.000 0.521 176 G N -1.090 107.738 108.800 0.046 0.000 2.471 176 G HA2 0.654 4.614 3.960 0.001 0.000 0.332 176 G HA3 0.654 4.614 3.960 0.001 0.000 0.332 176 G C -0.340 174.554 174.900 -0.010 0.000 1.176 176 G CA -0.983 44.105 45.100 -0.020 0.000 0.949 176 G HN 0.309 nan 8.290 nan 0.000 0.488 177 I N 0.637 121.182 120.570 -0.042 0.000 2.307 177 I HA 0.280 4.451 4.170 0.001 0.000 0.289 177 I C -0.519 175.561 176.117 -0.062 0.000 1.021 177 I CA -0.541 60.742 61.300 -0.028 0.000 1.224 177 I CB 0.626 38.614 38.000 -0.020 0.000 1.376 177 I HN 0.177 nan 8.210 nan 0.000 0.470 178 C N 7.845 127.120 119.300 -0.041 0.000 2.322 178 C HA 0.617 5.077 4.460 0.001 0.000 0.324 178 C C 0.266 175.232 174.990 -0.041 0.000 1.249 178 C CA -0.706 58.274 59.018 -0.064 0.000 1.453 178 C CB 0.559 28.262 27.740 -0.061 0.000 2.145 178 C HN 0.536 nan 8.230 nan 0.000 0.466 179 I N 2.370 122.909 120.570 -0.053 0.000 2.498 179 I HA 0.500 4.670 4.170 0.001 0.000 0.290 179 I C 0.794 176.894 176.117 -0.029 0.000 1.032 179 I CA -0.094 61.207 61.300 0.002 0.000 1.073 179 I CB 1.751 39.822 38.000 0.119 0.000 1.251 179 I HN 0.791 nan 8.210 nan 0.000 0.426 180 G N 5.277 114.080 108.800 0.005 0.000 2.378 180 G HA2 0.510 4.470 3.960 0.001 0.000 0.255 180 G HA3 0.510 4.470 3.960 0.001 0.000 0.255 180 G C -0.357 174.575 174.900 0.054 0.000 1.270 180 G CA -0.155 44.949 45.100 0.007 0.000 0.876 180 G HN 0.547 nan 8.290 nan 0.000 0.521 181 V N 0.184 120.119 119.914 0.034 0.000 3.181 181 V HA 0.974 5.095 4.120 0.001 0.000 0.308 181 V C 0.598 176.727 176.094 0.059 0.000 1.214 181 V CA -0.549 61.798 62.300 0.078 0.000 1.053 181 V CB 1.334 33.184 31.823 0.045 0.000 1.069 181 V HN 1.040 nan 8.190 nan 0.000 0.441 182 G N -0.034 108.812 108.800 0.077 0.000 2.537 182 G HA2 0.473 4.434 3.960 0.001 0.000 0.273 182 G HA3 0.473 4.434 3.960 0.001 0.000 0.273 182 G C 0.976 175.891 174.900 0.026 0.000 1.189 182 G CA -0.083 45.051 45.100 0.058 0.000 0.881 182 G HN 1.569 nan 8.290 nan 0.000 0.535 183 G N 0.049 108.861 108.800 0.019 0.000 2.450 183 G HA2 0.006 3.966 3.960 0.001 0.000 0.220 183 G HA3 0.006 3.966 3.960 0.001 0.000 0.220 183 G C 1.871 176.764 174.900 -0.011 0.000 1.130 183 G CA 1.634 46.738 45.100 0.005 0.000 0.760 183 G HN 0.941 nan 8.290 nan 0.000 0.557 184 A N 0.710 123.513 122.820 -0.029 0.000 2.015 184 A HA 0.040 4.360 4.320 0.001 0.000 0.219 184 A C 2.010 179.567 177.584 -0.044 0.000 1.163 184 A CA 1.966 53.966 52.037 -0.061 0.000 0.646 184 A CB -0.230 18.694 19.000 -0.127 0.000 0.806 184 A HN 0.299 nan 8.150 nan 0.000 0.448 185 D N -0.053 120.350 120.400 0.006 0.000 2.149 185 D HA 0.071 4.711 4.640 0.001 0.000 0.201 185 D C 2.209 178.502 176.300 -0.011 0.000 0.972 185 D CA 1.312 55.364 54.000 0.086 0.000 0.835 185 D CB -0.219 40.697 40.800 0.194 0.000 0.966 185 D HN 0.395 nan 8.370 nan 0.000 0.476 186 A N 0.274 123.057 122.820 -0.061 0.000 1.933 186 A HA -0.129 4.191 4.320 0.001 0.000 0.218 186 A C 2.341 179.903 177.584 -0.036 0.000 1.175 186 A CA 1.022 53.002 52.037 -0.095 0.000 0.628 186 A CB -0.701 18.249 19.000 -0.084 0.000 0.814 186 A HN 0.141 nan 8.150 nan 0.000 0.444 187 V N 0.710 120.633 119.914 0.015 0.000 2.343 187 V HA -0.260 3.860 4.120 0.001 0.000 0.247 187 V C 2.182 178.337 176.094 0.102 0.000 1.051 187 V CA 2.240 64.601 62.300 0.101 0.000 1.036 187 V CB -0.851 31.018 31.823 0.077 0.000 0.654 187 V HN 0.507 nan 8.190 nan 0.000 0.451 188 D N 0.249 120.689 120.400 0.067 0.000 2.133 188 D HA -0.168 4.473 4.640 0.001 0.000 0.192 188 D C 2.119 178.484 176.300 0.109 0.000 1.001 188 D CA 1.685 55.745 54.000 0.101 0.000 0.844 188 D CB -0.403 40.499 40.800 0.169 0.000 0.944 188 D HN 0.368 nan 8.370 nan 0.000 0.447 189 V N 0.732 120.684 119.914 0.064 0.000 2.453 189 V HA -0.155 3.965 4.120 0.001 0.000 0.247 189 V C 2.490 178.607 176.094 0.039 0.000 1.048 189 V CA 1.060 63.383 62.300 0.038 0.000 1.049 189 V CB -0.363 31.420 31.823 -0.067 0.000 0.672 189 V HN 0.187 nan 8.190 nan 0.000 0.457 190 M N 0.074 119.689 119.600 0.026 0.000 2.279 190 M HA -0.094 4.387 4.480 0.001 0.000 0.264 190 M C 2.090 178.511 176.300 0.202 0.000 1.062 190 M CA 1.779 57.088 55.300 0.016 0.000 1.099 190 M CB -0.394 32.100 32.600 -0.176 0.000 1.394 190 M HN 0.400 nan 8.290 nan 0.000 0.426 191 A N -0.473 122.494 122.820 0.244 0.000 2.208 191 A HA 0.353 4.673 4.320 0.001 0.000 0.209 191 A C 1.661 179.322 177.584 0.129 0.000 1.161 191 A CA 0.887 53.053 52.037 0.214 0.000 0.782 191 A CB -0.492 18.580 19.000 0.119 0.000 0.816 191 A HN 0.614 nan 8.150 nan 0.000 0.477 192 G N -0.421 108.446 108.800 0.112 0.000 2.141 192 G HA2 -0.210 3.751 3.960 0.001 0.000 0.242 192 G HA3 -0.210 3.751 3.960 0.001 0.000 0.242 192 G C 0.183 175.141 174.900 0.097 0.000 0.982 192 G CA 0.226 45.383 45.100 0.096 0.000 0.662 192 G HN 1.347 nan 8.290 nan 0.000 0.527 193 I N -1.947 118.688 120.570 0.109 0.000 2.525 193 I HA 0.769 4.939 4.170 0.001 0.000 0.301 193 I C -2.245 173.963 176.117 0.151 0.000 0.992 193 I CA -3.161 58.208 61.300 0.115 0.000 1.162 193 I CB 1.526 39.591 38.000 0.108 0.000 1.332 193 I HN -0.155 nan 8.210 nan 0.000 0.458 194 P HA -0.073 nan 4.420 nan 0.000 0.264 194 P C -1.456 175.992 177.300 0.247 0.000 1.183 194 P CA 0.353 63.558 63.100 0.176 0.000 0.763 194 P CB 0.153 31.927 31.700 0.123 0.000 0.807 195 W N 4.264 125.614 121.300 0.084 0.000 2.365 195 W HA 0.272 4.932 4.660 0.000 0.000 0.316 195 W C -0.433 176.148 176.519 0.103 0.000 1.164 195 W CA -0.430 56.968 57.345 0.089 0.000 1.204 195 W CB 0.741 30.243 29.460 0.070 0.000 1.213 195 W HN 0.348 nan 8.180 nan 0.000 0.539 196 E N 4.907 124.829 120.200 -0.465 0.000 2.191 196 E HA 0.476 4.826 4.350 0.001 0.000 0.278 196 E C -1.563 174.576 176.600 -0.768 0.000 0.972 196 E CA -1.140 54.985 56.400 -0.457 0.000 0.804 196 E CB 2.062 31.629 29.700 -0.221 0.000 1.110 196 E HN 0.406 nan 8.360 nan 0.000 0.394 197 L N 2.775 123.694 121.223 -0.507 0.000 2.464 197 L HA 0.328 4.669 4.340 0.001 0.000 0.266 197 L C -1.103 175.699 176.870 -0.114 0.000 0.965 197 L CA -0.876 53.714 54.840 -0.417 0.000 0.833 197 L CB 1.636 43.321 42.059 -0.623 0.000 1.296 197 L HN 0.199 nan 8.230 nan 0.000 0.405 198 K N 3.849 124.192 120.400 -0.095 0.000 2.447 198 K HA 0.138 4.458 4.320 0.001 0.000 0.281 198 K C -0.409 176.084 176.600 -0.178 0.000 1.031 198 K CA 0.177 56.257 56.287 -0.345 0.000 1.019 198 K CB 0.132 32.392 32.500 -0.399 0.000 0.918 198 K HN 0.723 nan 8.250 nan 0.000 0.476 199 C N 9.048 128.252 119.300 -0.160 0.000 2.519 199 C HA 0.129 4.589 4.460 0.001 0.000 0.402 199 C C -1.919 173.058 174.990 -0.022 0.000 1.475 199 C CA -1.405 57.593 59.018 -0.034 0.000 1.504 199 C CB -0.777 26.952 27.740 -0.018 0.000 2.454 199 C HN 0.704 nan 8.230 nan 0.000 0.615 200 P HA 0.223 nan 4.420 nan 0.000 0.277 200 P C -0.713 176.598 177.300 0.018 0.000 1.240 200 P CA -0.169 62.936 63.100 0.008 0.000 0.798 200 P CB 0.627 32.336 31.700 0.015 0.000 0.979 201 K N 0.891 121.295 120.400 0.006 0.000 2.149 201 K HA 0.382 4.702 4.320 0.001 0.000 0.245 201 K C -0.215 176.390 176.600 0.008 0.000 1.024 201 K CA -0.626 55.667 56.287 0.010 0.000 0.899 201 K CB 0.267 32.767 32.500 0.001 0.000 1.038 201 K HN 0.243 nan 8.250 nan 0.000 0.496 202 V N 2.529 122.450 119.914 0.012 0.000 2.443 202 V HA 0.370 4.490 4.120 0.001 0.000 0.293 202 V C -0.017 176.085 176.094 0.014 0.000 1.021 202 V CA -0.718 61.601 62.300 0.031 0.000 0.848 202 V CB 1.392 33.272 31.823 0.095 0.000 0.998 202 V HN 0.524 nan 8.190 nan 0.000 0.424 203 I N 3.890 124.413 120.570 -0.079 0.000 2.331 203 I HA 0.569 4.739 4.170 0.001 0.000 0.292 203 I C 0.950 176.850 176.117 -0.361 0.000 0.998 203 I CA -0.078 61.124 61.300 -0.164 0.000 1.267 203 I CB 1.627 39.533 38.000 -0.158 0.000 1.386 203 I HN 0.724 nan 8.210 nan 0.000 0.476 204 G N 5.516 113.974 108.800 -0.570 0.000 2.348 204 G HA2 0.556 4.516 3.960 0.001 0.000 0.312 204 G HA3 0.556 4.516 3.960 0.001 0.000 0.312 204 G C -0.882 173.696 174.900 -0.536 0.000 1.126 204 G CA -0.280 44.234 45.100 -0.977 0.000 0.865 204 G HN 0.357 nan 8.290 nan 0.000 0.474 205 V N 2.402 121.952 119.914 -0.606 0.000 2.376 205 V HA 0.351 4.471 4.120 0.001 0.000 0.287 205 V C 0.100 175.785 176.094 -0.680 0.000 1.015 205 V CA -0.920 61.045 62.300 -0.557 0.000 0.834 205 V CB 1.435 32.845 31.823 -0.689 0.000 1.001 205 V HN 0.816 nan 8.190 nan 0.000 0.428 206 K N 5.925 125.958 120.400 -0.612 0.000 2.211 206 K HA 0.651 4.971 4.320 0.001 0.000 0.275 206 K C -1.144 175.286 176.600 -0.284 0.000 1.024 206 K CA -0.486 55.389 56.287 -0.688 0.000 0.887 206 K CB 0.860 33.108 32.500 -0.421 0.000 1.084 206 K HN 0.619 nan 8.250 nan 0.000 0.463 207 L N 3.418 124.524 121.223 -0.194 0.000 2.317 207 L HA 0.419 4.759 4.340 0.001 0.000 0.281 207 L C -0.003 176.851 176.870 -0.027 0.000 1.024 207 L CA -0.758 54.052 54.840 -0.051 0.000 0.810 207 L CB 2.001 44.083 42.059 0.039 0.000 1.240 207 L HN 0.707 nan 8.230 nan 0.000 0.427 208 T N 1.078 115.627 114.554 -0.008 0.000 2.916 208 T HA 0.735 5.086 4.350 0.001 0.000 0.292 208 T C 0.190 174.901 174.700 0.018 0.000 1.055 208 T CA 0.522 62.625 62.100 0.006 0.000 1.009 208 T CB 1.980 70.847 68.868 -0.002 0.000 1.118 208 T HN 1.007 nan 8.240 nan 0.000 0.497 209 G N 2.204 111.017 108.800 0.021 0.000 2.562 209 G HA2 -0.023 3.937 3.960 0.001 0.000 0.250 209 G HA3 -0.023 3.937 3.960 0.001 0.000 0.250 209 G C -0.301 174.614 174.900 0.026 0.000 1.269 209 G CA -0.060 45.054 45.100 0.023 0.000 0.919 209 G HN 1.730 nan 8.290 nan 0.000 0.574 210 S N -1.608 114.106 115.700 0.023 0.000 2.570 210 S HA 0.710 5.180 4.470 0.001 0.000 0.270 210 S C -0.502 174.110 174.600 0.019 0.000 1.149 210 S CA -0.689 57.524 58.200 0.022 0.000 0.837 210 S CB 1.820 65.032 63.200 0.020 0.000 1.124 210 S HN 1.122 nan 8.310 nan 0.000 0.465 211 L N 2.535 123.767 121.223 0.015 0.000 2.426 211 L HA 0.537 4.877 4.340 0.001 0.000 0.271 211 L C 0.433 177.308 176.870 0.008 0.000 1.169 211 L CA 0.015 54.863 54.840 0.014 0.000 0.836 211 L CB 1.005 43.067 42.059 0.005 0.000 1.112 211 L HN 0.968 nan 8.230 nan 0.000 0.465 212 S N 0.934 116.643 115.700 0.015 0.000 2.541 212 S HA 0.815 5.285 4.470 0.001 0.000 0.280 212 S C 0.187 174.793 174.600 0.010 0.000 1.112 212 S CA -0.202 58.002 58.200 0.006 0.000 0.925 212 S CB 1.976 65.185 63.200 0.015 0.000 1.067 212 S HN 1.116 nan 8.310 nan 0.000 0.479 213 G N 2.232 111.012 108.800 -0.034 0.000 2.602 213 G HA2 -0.354 3.606 3.960 0.001 0.000 0.310 213 G HA3 -0.354 3.606 3.960 0.001 0.000 0.310 213 G C 0.442 175.268 174.900 -0.123 0.000 1.183 213 G CA 0.750 45.800 45.100 -0.084 0.000 0.979 213 G HN 0.882 nan 8.290 nan 0.000 0.545 214 W N 1.795 123.078 121.300 -0.029 0.000 2.584 214 W HA 0.300 4.960 4.660 0.000 0.000 0.264 214 W C 1.801 178.310 176.519 -0.018 0.000 1.264 214 W CA 1.099 58.426 57.345 -0.031 0.000 1.306 214 W CB -0.258 29.174 29.460 -0.047 0.000 1.110 214 W HN 0.432 nan 8.180 nan 0.000 0.606 215 T N 1.401 116.061 114.554 0.175 0.000 2.888 215 T HA 0.247 4.597 4.350 0.001 0.000 0.301 215 T C 0.410 175.150 174.700 0.067 0.000 1.001 215 T CA 0.052 62.224 62.100 0.120 0.000 1.147 215 T CB 0.697 69.623 68.868 0.096 0.000 0.931 215 T HN -0.020 nan 8.240 nan 0.000 0.541 216 S N 2.651 118.388 115.700 0.062 0.000 2.704 216 S HA 0.559 5.029 4.470 0.001 0.000 0.296 216 S C -2.382 172.223 174.600 0.008 0.000 1.138 216 S CA -1.758 56.455 58.200 0.022 0.000 0.875 216 S CB 1.599 64.812 63.200 0.023 0.000 1.151 216 S HN 0.229 nan 8.310 nan 0.000 0.500 217 P HA -0.090 nan 4.420 nan 0.000 0.216 217 P C 1.303 178.584 177.300 -0.032 0.000 1.150 217 P CA 1.245 64.318 63.100 -0.045 0.000 0.843 217 P CB 0.035 31.680 31.700 -0.090 0.000 0.787 218 K N 0.206 120.596 120.400 -0.017 0.000 2.113 218 K HA -0.192 4.128 4.320 0.001 0.000 0.208 218 K C 1.543 178.146 176.600 0.004 0.000 1.047 218 K CA 1.742 58.025 56.287 -0.006 0.000 0.928 218 K CB -1.038 31.469 32.500 0.011 0.000 0.716 218 K HN 0.075 nan 8.250 nan 0.000 0.446 219 D N -0.450 119.964 120.400 0.024 0.000 2.178 219 D HA -0.116 4.524 4.640 0.001 0.000 0.202 219 D C 1.854 178.126 176.300 -0.048 0.000 0.974 219 D CA 1.117 55.132 54.000 0.025 0.000 0.841 219 D CB -0.035 40.828 40.800 0.106 0.000 0.953 219 D HN 0.064 nan 8.370 nan 0.000 0.478 220 V N 1.218 121.121 119.914 -0.019 0.000 2.295 220 V HA -0.218 3.903 4.120 0.001 0.000 0.246 220 V C 2.385 178.472 176.094 -0.010 0.000 1.049 220 V CA 1.139 63.433 62.300 -0.010 0.000 1.024 220 V CB -0.254 31.579 31.823 0.017 0.000 0.648 220 V HN 0.123 nan 8.190 nan 0.000 0.447 221 I N -0.926 119.638 120.570 -0.009 0.000 2.876 221 I HA -0.021 4.149 4.170 0.001 0.000 0.264 221 I C 1.937 178.038 176.117 -0.026 0.000 1.204 221 I CA 1.193 62.500 61.300 0.011 0.000 1.485 221 I CB -0.188 37.821 38.000 0.016 0.000 1.103 221 I HN 0.141 nan 8.210 nan 0.000 0.446 222 L N 0.044 121.233 121.223 -0.057 0.000 2.083 222 L HA -0.193 4.147 4.340 0.001 0.000 0.209 222 L C 2.450 179.217 176.870 -0.171 0.000 1.083 222 L CA 1.279 56.072 54.840 -0.078 0.000 0.752 222 L CB -0.706 41.332 42.059 -0.035 0.000 0.899 222 L HN 0.177 nan 8.230 nan 0.000 0.433 223 K N 0.310 120.538 120.400 -0.285 0.000 2.025 223 K HA -0.103 4.217 4.320 0.001 0.000 0.207 223 K C 1.865 178.390 176.600 -0.126 0.000 1.049 223 K CA 1.368 57.469 56.287 -0.310 0.000 0.933 223 K CB -0.464 31.847 32.500 -0.315 0.000 0.714 223 K HN -0.007 nan 8.250 nan 0.000 0.438 224 V N 1.103 120.978 119.914 -0.065 0.000 2.295 224 V HA -0.250 3.870 4.120 0.001 0.000 0.246 224 V C 2.347 178.430 176.094 -0.019 0.000 1.049 224 V CA 2.045 64.332 62.300 -0.022 0.000 1.024 224 V CB -0.919 30.925 31.823 0.035 0.000 0.648 224 V HN 0.494 nan 8.190 nan 0.000 0.447 225 A N 0.351 123.163 122.820 -0.014 0.000 1.940 225 A HA -0.116 4.204 4.320 0.001 0.000 0.219 225 A C 2.403 179.982 177.584 -0.008 0.000 1.176 225 A CA 2.006 54.042 52.037 -0.002 0.000 0.631 225 A CB -1.171 17.830 19.000 0.001 0.000 0.814 225 A HN 0.543 nan 8.150 nan 0.000 0.446 226 G N -0.058 108.726 108.800 -0.027 0.000 2.402 226 G HA2 -0.153 3.808 3.960 0.001 0.000 0.216 226 G HA3 -0.153 3.808 3.960 0.001 0.000 0.216 226 G C 1.530 176.426 174.900 -0.007 0.000 1.162 226 G CA 1.093 46.182 45.100 -0.018 0.000 0.777 226 G HN 0.479 nan 8.290 nan 0.000 0.539 227 I N -0.228 120.332 120.570 -0.016 0.000 2.142 227 I HA -0.095 4.076 4.170 0.001 0.000 0.240 227 I C 2.497 178.610 176.117 -0.007 0.000 1.078 227 I CA 0.609 61.902 61.300 -0.011 0.000 1.343 227 I CB -0.151 37.836 38.000 -0.022 0.000 1.046 227 I HN 0.078 nan 8.210 nan 0.000 0.405 228 L N 0.243 121.461 121.223 -0.009 0.000 2.240 228 L HA 0.017 4.358 4.340 0.001 0.000 0.211 228 L C 1.000 177.875 176.870 0.007 0.000 1.106 228 L CA 1.429 56.266 54.840 -0.005 0.000 0.793 228 L CB -0.827 41.225 42.059 -0.011 0.000 0.927 228 L HN 0.681 nan 8.230 nan 0.000 0.446 229 T N -5.557 109.005 114.554 0.014 0.000 0.541 229 T HA -0.234 4.116 4.350 0.001 0.000 0.774 229 T C 0.922 175.645 174.700 0.038 0.000 0.992 229 T CA 0.659 62.774 62.100 0.026 0.000 4.077 229 T CB -1.391 67.492 68.868 0.025 0.000 2.303 229 T HN 0.468 nan 8.240 nan 0.000 0.398 230 V N -0.308 119.640 119.914 0.056 0.000 2.867 230 V HA 0.030 4.150 4.120 0.001 0.000 0.260 230 V C 2.026 178.157 176.094 0.062 0.000 1.099 230 V CA 2.008 64.354 62.300 0.076 0.000 1.122 230 V CB -1.333 30.559 31.823 0.116 0.000 0.708 230 V HN 1.147 nan 8.190 nan 0.000 0.490 231 K N 0.376 120.802 120.400 0.043 0.000 2.387 231 K HA 0.435 4.755 4.320 0.001 0.000 0.203 231 K C 1.680 178.298 176.600 0.030 0.000 1.030 231 K CA 0.560 56.870 56.287 0.039 0.000 1.099 231 K CB 0.500 33.017 32.500 0.029 0.000 0.863 231 K HN 0.304 nan 8.250 nan 0.000 0.529 232 G N 0.992 109.806 108.800 0.025 0.000 2.511 232 G HA2 -0.072 3.888 3.960 0.001 0.000 0.217 232 G HA3 -0.072 3.888 3.960 0.001 0.000 0.217 232 G C 1.146 176.051 174.900 0.008 0.000 1.133 232 G CA 0.429 45.537 45.100 0.013 0.000 0.792 232 G HN 0.423 nan 8.290 nan 0.000 0.539 233 G N -0.116 108.694 108.800 0.016 0.000 3.126 233 G HA2 0.241 4.202 3.960 0.001 0.000 0.224 233 G HA3 0.241 4.202 3.960 0.001 0.000 0.224 233 G C 0.544 175.456 174.900 0.020 0.000 1.142 233 G CA -0.014 45.092 45.100 0.009 0.000 0.759 233 G HN 0.234 nan 8.290 nan 0.000 0.550 234 T N 1.049 115.621 114.554 0.030 0.000 2.866 234 T HA 0.367 4.717 4.350 0.001 0.000 0.293 234 T C 1.570 176.288 174.700 0.030 0.000 1.005 234 T CA 1.140 63.265 62.100 0.041 0.000 1.162 234 T CB 0.770 69.669 68.868 0.051 0.000 0.968 234 T HN 0.956 nan 8.240 nan 0.000 0.530 235 G N 1.595 110.413 108.800 0.031 0.000 2.162 235 G HA2 -0.013 3.948 3.960 0.001 0.000 0.260 235 G HA3 -0.013 3.948 3.960 0.001 0.000 0.260 235 G C 0.116 175.020 174.900 0.006 0.000 0.976 235 G CA -0.001 45.108 45.100 0.014 0.000 0.655 235 G HN 1.240 nan 8.290 nan 0.000 0.533 236 A N -0.567 122.259 122.820 0.009 0.000 2.413 236 A HA 0.855 5.175 4.320 0.001 0.000 0.307 236 A C -0.109 177.476 177.584 0.001 0.000 1.087 236 A CA -0.724 51.313 52.037 -0.000 0.000 0.750 236 A CB 1.286 20.278 19.000 -0.013 0.000 1.296 236 A HN 0.630 nan 8.150 nan 0.000 0.423 237 I N 1.537 122.105 120.570 -0.003 0.000 2.396 237 I HA 0.309 4.479 4.170 0.001 0.000 0.292 237 I C -0.518 175.572 176.117 -0.045 0.000 0.999 237 I CA -0.717 60.580 61.300 -0.005 0.000 1.310 237 I CB 1.749 39.752 38.000 0.004 0.000 1.404 237 I HN 0.297 nan 8.210 nan 0.000 0.496 238 V N 5.661 125.538 119.914 -0.062 0.000 2.383 238 V HA 0.225 4.345 4.120 0.001 0.000 0.275 238 V C 0.067 176.025 176.094 -0.227 0.000 1.036 238 V CA -0.457 61.730 62.300 -0.189 0.000 0.889 238 V CB 1.179 32.893 31.823 -0.182 0.000 0.985 238 V HN 0.725 nan 8.190 nan 0.000 0.459 239 E N 4.080 124.072 120.200 -0.346 0.000 2.145 239 E HA 0.401 4.751 4.350 0.001 0.000 0.262 239 E C -1.562 174.788 176.600 -0.417 0.000 0.883 239 E CA -0.622 55.634 56.400 -0.241 0.000 0.748 239 E CB 0.903 30.568 29.700 -0.060 0.000 1.140 239 E HN 0.631 nan 8.360 nan 0.000 0.417 240 Y N 4.448 124.489 120.300 -0.432 0.000 2.319 240 Y HA 0.251 4.801 4.550 0.001 0.000 0.328 240 Y C 0.809 176.525 175.900 -0.306 0.000 1.133 240 Y CA 0.180 57.920 58.100 -0.600 0.000 1.265 240 Y CB 0.736 38.341 38.460 -1.425 0.000 1.218 240 Y HN 0.529 nan 8.280 nan 0.000 0.508 241 H N -0.138 118.845 119.070 -0.144 0.000 2.928 241 H HA 0.766 5.322 4.556 0.001 0.000 0.285 241 H C -0.195 175.145 175.328 0.019 0.000 1.438 241 H CA -1.235 54.800 56.048 -0.021 0.000 1.176 241 H CB 1.411 31.177 29.762 0.007 0.000 1.864 241 H HN 0.895 nan 8.280 nan 0.000 0.567 242 G N 0.131 108.992 108.800 0.101 0.000 2.570 242 G HA2 -0.113 3.847 3.960 0.001 0.000 0.686 242 G HA3 -0.113 3.847 3.960 0.001 0.000 0.686 242 G C -2.187 172.754 174.900 0.069 0.000 1.257 242 G CA -0.311 44.815 45.100 0.044 0.000 0.846 242 G HN 0.544 nan 8.290 nan 0.000 0.627 243 P HA -0.071 nan 4.420 nan 0.000 0.219 243 P C 1.783 179.121 177.300 0.063 0.000 1.146 243 P CA 1.937 65.075 63.100 0.063 0.000 0.808 243 P CB -0.175 31.555 31.700 0.049 0.000 0.779 244 G N 0.026 108.857 108.800 0.053 0.000 2.598 244 G HA2 -0.095 3.865 3.960 0.001 0.000 0.215 244 G HA3 -0.095 3.865 3.960 0.001 0.000 0.215 244 G C 1.613 176.562 174.900 0.083 0.000 1.131 244 G CA 0.089 45.222 45.100 0.056 0.000 0.785 244 G HN 0.168 nan 8.290 nan 0.000 0.539 245 V N 1.228 121.214 119.914 0.120 0.000 2.407 245 V HA -0.171 3.949 4.120 0.001 0.000 0.248 245 V C 2.333 178.475 176.094 0.079 0.000 1.055 245 V CA 2.199 64.607 62.300 0.181 0.000 1.049 245 V CB -0.411 31.569 31.823 0.260 0.000 0.662 245 V HN 0.321 nan 8.190 nan 0.000 0.455 246 D N -0.428 120.014 120.400 0.071 0.000 2.350 246 D HA -0.115 4.526 4.640 0.001 0.000 0.216 246 D C 2.131 178.441 176.300 0.017 0.000 0.968 246 D CA 1.125 55.151 54.000 0.043 0.000 0.894 246 D CB -0.079 40.825 40.800 0.173 0.000 0.909 246 D HN 0.477 nan 8.370 nan 0.000 0.520 247 S N -0.458 115.254 115.700 0.021 0.000 2.527 247 S HA 0.050 4.520 4.470 0.001 0.000 0.222 247 S C 0.602 175.182 174.600 -0.034 0.000 0.985 247 S CA -0.174 58.029 58.200 0.006 0.000 0.921 247 S CB -0.047 63.165 63.200 0.020 0.000 0.772 247 S HN 0.098 nan 8.310 nan 0.000 0.529 248 I N 2.754 123.278 120.570 -0.076 0.000 2.377 248 I HA 0.292 4.462 4.170 0.001 0.000 0.293 248 I C 0.530 176.537 176.117 -0.183 0.000 0.987 248 I CA -0.762 60.458 61.300 -0.134 0.000 1.185 248 I CB 2.002 39.892 38.000 -0.183 0.000 1.341 248 I HN 0.225 nan 8.210 nan 0.000 0.455 249 S N 3.604 119.212 115.700 -0.154 0.000 2.589 249 S HA -0.032 4.438 4.470 0.001 0.000 0.265 249 S C 1.227 175.684 174.600 -0.238 0.000 1.342 249 S CA -0.686 57.425 58.200 -0.147 0.000 1.005 249 S CB 1.104 64.257 63.200 -0.078 0.000 0.909 249 S HN 0.892 nan 8.310 nan 0.000 0.555 250 C N 1.960 121.122 119.300 -0.230 0.000 2.413 250 C HA -0.100 4.361 4.460 0.001 0.000 0.277 250 C C 2.939 177.681 174.990 -0.414 0.000 1.265 250 C CA 1.707 60.522 59.018 -0.338 0.000 1.752 250 C CB -2.181 25.357 27.740 -0.336 0.000 1.998 250 C HN 1.056 nan 8.230 nan 0.000 0.489 251 T N -1.653 112.692 114.554 -0.348 0.000 2.904 251 T HA 0.077 4.427 4.350 0.001 0.000 0.267 251 T C 1.988 176.556 174.700 -0.220 0.000 1.059 251 T CA 1.506 63.440 62.100 -0.277 0.000 1.137 251 T CB -0.885 67.904 68.868 -0.132 0.000 0.879 251 T HN 0.585 nan 8.240 nan 0.000 0.467 252 G N 1.499 110.171 108.800 -0.214 0.000 2.422 252 G HA2 -0.100 3.860 3.960 0.001 0.000 0.218 252 G HA3 -0.100 3.860 3.960 0.001 0.000 0.218 252 G C 1.613 176.327 174.900 -0.310 0.000 1.146 252 G CA 0.762 45.736 45.100 -0.210 0.000 0.769 252 G HN 0.478 nan 8.290 nan 0.000 0.547 253 M N 0.770 120.078 119.600 -0.487 0.000 2.175 253 M HA 0.046 4.526 4.480 0.001 0.000 0.264 253 M C 3.049 179.102 176.300 -0.412 0.000 1.063 253 M CA 1.246 56.063 55.300 -0.804 0.000 1.119 253 M CB -0.228 31.632 32.600 -1.233 0.000 1.377 253 M HN 0.300 nan 8.290 nan 0.000 0.415 254 A N 0.137 122.777 122.820 -0.300 0.000 1.902 254 A HA -0.152 4.168 4.320 0.001 0.000 0.217 254 A C 2.208 179.712 177.584 -0.133 0.000 1.181 254 A CA 2.254 54.182 52.037 -0.180 0.000 0.623 254 A CB -1.167 17.717 19.000 -0.193 0.000 0.818 254 A HN 0.440 nan 8.150 nan 0.000 0.443 255 T N 0.386 114.854 114.554 -0.143 0.000 2.684 255 T HA -0.142 4.208 4.350 0.001 0.000 0.267 255 T C 1.799 176.448 174.700 -0.085 0.000 1.036 255 T CA 1.700 63.738 62.100 -0.103 0.000 1.148 255 T CB -0.434 68.377 68.868 -0.095 0.000 0.863 255 T HN 0.438 nan 8.240 nan 0.000 0.436 256 I N 0.598 121.102 120.570 -0.109 0.000 2.179 256 I HA -0.184 3.986 4.170 0.001 0.000 0.242 256 I C 2.684 178.780 176.117 -0.036 0.000 1.088 256 I CA 0.888 62.132 61.300 -0.094 0.000 1.357 256 I CB -0.431 37.464 38.000 -0.176 0.000 1.051 256 I HN 0.327 nan 8.210 nan 0.000 0.409 257 C N 0.546 119.847 119.300 0.002 0.000 2.425 257 C HA -0.154 4.306 4.460 0.001 0.000 0.277 257 C C 2.725 177.739 174.990 0.041 0.000 1.280 257 C CA 0.976 60.036 59.018 0.070 0.000 1.744 257 C CB -1.506 26.288 27.740 0.089 0.000 1.989 257 C HN 0.596 nan 8.230 nan 0.000 0.491 258 N N 1.051 119.749 118.700 -0.003 0.000 2.025 258 N HA -0.148 4.592 4.740 0.001 0.000 0.194 258 N C 1.650 177.216 175.510 0.095 0.000 1.044 258 N CA 1.658 54.710 53.050 0.004 0.000 0.851 258 N CB -0.442 38.006 38.487 -0.065 0.000 1.036 258 N HN 0.498 nan 8.380 nan 0.000 0.422 259 M N 0.207 119.833 119.600 0.042 0.000 2.659 259 M HA 0.077 4.557 4.480 0.001 0.000 0.243 259 M C 1.431 177.785 176.300 0.090 0.000 1.111 259 M CA 0.318 55.657 55.300 0.065 0.000 1.070 259 M CB -0.053 32.550 32.600 0.004 0.000 1.525 259 M HN 0.187 nan 8.290 nan 0.000 0.517 260 G N -0.293 108.564 108.800 0.094 0.000 2.559 260 G HA2 -0.121 3.839 3.960 0.001 0.000 0.216 260 G HA3 -0.121 3.839 3.960 0.001 0.000 0.216 260 G C 1.413 176.359 174.900 0.078 0.000 1.126 260 G CA 0.746 45.903 45.100 0.095 0.000 0.778 260 G HN 0.589 nan 8.290 nan 0.000 0.543 261 A N 0.814 123.684 122.820 0.084 0.000 2.024 261 A HA -0.008 4.312 4.320 0.001 0.000 0.220 261 A C 2.088 179.711 177.584 0.065 0.000 1.164 261 A CA 1.824 53.880 52.037 0.031 0.000 0.643 261 A CB -0.193 18.736 19.000 -0.118 0.000 0.806 261 A HN 0.309 nan 8.150 nan 0.000 0.451 262 E N -0.440 119.822 120.200 0.103 0.000 2.511 262 E HA 0.001 4.352 4.350 0.001 0.000 0.196 262 E C 1.383 178.037 176.600 0.091 0.000 1.066 262 E CA 0.718 57.178 56.400 0.100 0.000 0.871 262 E CB -0.192 29.550 29.700 0.070 0.000 0.863 262 E HN 0.890 nan 8.360 nan 0.000 0.520 263 I N -5.319 115.294 120.570 0.072 0.000 3.976 263 I HA 0.429 4.599 4.170 0.001 0.000 0.337 263 I C 1.065 177.216 176.117 0.058 0.000 1.359 263 I CA 0.374 61.710 61.300 0.060 0.000 1.098 263 I CB 0.323 38.348 38.000 0.041 0.000 1.027 263 I HN 0.065 nan 8.210 nan 0.000 0.394 264 G N 1.784 110.622 108.800 0.064 0.000 2.159 264 G HA2 -0.249 3.711 3.960 0.001 0.000 0.256 264 G HA3 -0.249 3.711 3.960 0.001 0.000 0.256 264 G C 0.517 175.448 174.900 0.052 0.000 0.977 264 G CA 0.018 45.156 45.100 0.063 0.000 0.652 264 G HN 0.943 nan 8.290 nan 0.000 0.531 265 A N -0.121 122.725 122.820 0.043 0.000 2.520 265 A HA 0.569 4.890 4.320 0.001 0.000 0.235 265 A C 1.691 179.300 177.584 0.041 0.000 1.065 265 A CA 1.568 53.626 52.037 0.035 0.000 0.764 265 A CB 0.166 19.185 19.000 0.032 0.000 1.002 265 A HN 0.796 nan 8.150 nan 0.000 0.502 266 T N 0.433 115.013 114.554 0.043 0.000 2.788 266 T HA 0.078 4.428 4.350 0.001 0.000 0.268 266 T C 0.924 175.659 174.700 0.058 0.000 1.044 266 T CA 2.000 64.135 62.100 0.060 0.000 1.139 266 T CB -0.208 68.697 68.868 0.061 0.000 0.867 266 T HN 1.041 nan 8.240 nan 0.000 0.454 267 T N -0.866 113.716 114.554 0.047 0.000 2.652 267 T HA 0.445 4.795 4.350 0.001 0.000 0.303 267 T C -1.971 172.762 174.700 0.055 0.000 1.738 267 T CA -0.733 61.394 62.100 0.044 0.000 0.969 267 T CB 1.193 70.086 68.868 0.042 0.000 1.778 267 T HN 0.028 nan 8.240 nan 0.000 0.494 268 S N 0.091 115.839 115.700 0.081 0.000 2.599 268 S HA 0.918 5.389 4.470 0.001 0.000 0.287 268 S C -1.332 173.356 174.600 0.147 0.000 1.105 268 S CA -0.683 57.597 58.200 0.133 0.000 0.899 268 S CB 1.885 65.228 63.200 0.238 0.000 1.100 268 S HN 0.899 nan 8.310 nan 0.000 0.482 269 V N 1.925 121.938 119.914 0.166 0.000 3.048 269 V HA 0.704 4.824 4.120 0.001 0.000 0.303 269 V C -2.180 174.020 176.094 0.177 0.000 1.214 269 V CA -0.642 61.765 62.300 0.179 0.000 0.984 269 V CB 1.815 33.704 31.823 0.110 0.000 1.054 269 V HN 0.818 nan 8.190 nan 0.000 0.430 270 F N 5.921 125.946 119.950 0.126 0.000 2.522 270 F HA 0.739 5.266 4.527 0.000 0.000 0.324 270 F C -2.041 173.835 175.800 0.127 0.000 1.077 270 F CA -2.065 56.012 58.000 0.128 0.000 0.944 270 F CB 2.391 41.421 39.000 0.049 0.000 1.175 270 F HN 0.350 nan 8.300 nan 0.000 0.468 271 P HA -0.012 nan 4.420 nan 0.000 0.275 271 P C -0.977 176.486 177.300 0.271 0.000 1.227 271 P CA -0.126 63.124 63.100 0.250 0.000 0.781 271 P CB 0.497 32.317 31.700 0.199 0.000 0.906 272 Y N 4.421 124.801 120.300 0.132 0.000 2.717 272 Y HA 0.080 4.630 4.550 0.001 0.000 0.330 272 Y C 0.320 176.287 175.900 0.112 0.000 1.217 272 Y CA 0.558 58.729 58.100 0.117 0.000 1.506 272 Y CB -0.285 38.242 38.460 0.111 0.000 1.268 272 Y HN 0.527 nan 8.280 nan 0.000 0.561 273 N N 2.373 120.853 118.700 -0.366 0.000 3.243 273 N HA 0.103 4.843 4.740 0.001 0.000 0.280 273 N C 0.490 175.775 175.510 -0.375 0.000 1.545 273 N CA -0.193 52.668 53.050 -0.315 0.000 0.854 273 N CB 0.002 38.437 38.487 -0.086 0.000 1.612 273 N HN 0.602 nan 8.380 nan 0.000 0.577 274 H N -0.815 118.124 119.070 -0.218 0.000 2.491 274 H HA 0.163 4.720 4.556 0.000 0.000 0.290 274 H C 0.491 175.788 175.328 -0.051 0.000 1.050 274 H CA 0.750 56.719 56.048 -0.132 0.000 1.309 274 H CB 0.100 29.817 29.762 -0.075 0.000 1.392 274 H HN 0.343 nan 8.280 nan 0.000 0.554 275 R N 0.590 120.790 120.500 -0.499 0.000 2.090 275 R HA 0.036 4.376 4.340 0.001 0.000 0.228 275 R C 2.545 178.810 176.300 -0.058 0.000 1.110 275 R CA 0.942 56.872 56.100 -0.283 0.000 0.973 275 R CB -0.437 29.672 30.300 -0.319 0.000 0.869 275 R HN 0.432 nan 8.270 nan 0.000 0.440 276 M N 0.592 120.183 119.600 -0.015 0.000 2.132 276 M HA -0.108 4.372 4.480 0.001 0.000 0.263 276 M C 2.380 178.838 176.300 0.263 0.000 1.065 276 M CA 1.507 56.903 55.300 0.160 0.000 1.122 276 M CB -0.374 32.396 32.600 0.284 0.000 1.365 276 M HN 0.019 nan 8.290 nan 0.000 0.411 277 K N 1.044 121.575 120.400 0.218 0.000 2.063 277 K HA -0.226 4.094 4.320 0.001 0.000 0.208 277 K C 2.124 178.831 176.600 0.179 0.000 1.048 277 K CA 1.538 57.978 56.287 0.255 0.000 0.928 277 K CB -0.130 32.470 32.500 0.166 0.000 0.713 277 K HN 0.172 nan 8.250 nan 0.000 0.442 278 K N -0.198 120.283 120.400 0.135 0.000 2.026 278 K HA -0.221 4.099 4.320 0.001 0.000 0.208 278 K C 2.194 178.877 176.600 0.137 0.000 1.048 278 K CA 1.640 57.996 56.287 0.115 0.000 0.929 278 K CB -0.340 32.216 32.500 0.093 0.000 0.713 278 K HN 0.223 nan 8.250 nan 0.000 0.439 279 Y N 1.607 121.943 120.300 0.060 0.000 2.181 279 Y HA -0.178 4.372 4.550 0.000 0.000 0.288 279 Y C 1.965 177.917 175.900 0.086 0.000 1.146 279 Y CA 1.437 59.584 58.100 0.077 0.000 1.164 279 Y CB -0.203 38.290 38.460 0.054 0.000 0.982 279 Y HN 0.012 nan 8.280 nan 0.000 0.515 280 L N -0.980 120.331 121.223 0.146 0.000 2.042 280 L HA -0.276 4.065 4.340 0.001 0.000 0.210 280 L C 2.485 179.359 176.870 0.006 0.000 1.076 280 L CA 1.716 56.597 54.840 0.069 0.000 0.749 280 L CB -0.693 41.460 42.059 0.157 0.000 0.893 280 L HN 0.137 nan 8.230 nan 0.000 0.432 281 S N -0.484 115.241 115.700 0.041 0.000 2.383 281 S HA -0.192 4.279 4.470 0.001 0.000 0.227 281 S C 1.915 176.511 174.600 -0.008 0.000 1.026 281 S CA 1.252 59.467 58.200 0.025 0.000 0.981 281 S CB -0.174 63.051 63.200 0.042 0.000 0.818 281 S HN 0.197 nan 8.310 nan 0.000 0.472 282 K N 2.101 122.482 120.400 -0.032 0.000 2.439 282 K HA 0.006 4.326 4.320 0.001 0.000 0.197 282 K C 1.207 177.810 176.600 0.005 0.000 1.041 282 K CA 1.007 57.281 56.287 -0.022 0.000 0.970 282 K CB -0.430 32.050 32.500 -0.034 0.000 0.773 282 K HN 0.455 nan 8.250 nan 0.000 0.479 283 T N -3.064 111.406 114.554 -0.141 0.000 3.264 283 T HA 0.345 4.696 4.350 0.001 0.000 0.257 283 T C 0.924 175.572 174.700 -0.087 0.000 0.976 283 T CA -0.130 61.855 62.100 -0.190 0.000 0.908 283 T CB 0.056 68.651 68.868 -0.454 0.000 1.082 283 T HN 0.234 nan 8.240 nan 0.000 0.567 284 G N 2.176 110.976 108.800 0.000 0.000 2.143 284 G HA2 -0.282 3.679 3.960 0.001 0.000 0.248 284 G HA3 -0.282 3.679 3.960 0.001 0.000 0.248 284 G C 0.374 175.348 174.900 0.123 0.000 0.991 284 G CA -0.073 45.085 45.100 0.096 0.000 0.689 284 G HN 0.615 nan 8.290 nan 0.000 0.522 285 R N -0.544 119.973 120.500 0.027 0.000 2.776 285 R HA 0.547 4.887 4.340 0.001 0.000 0.391 285 R C 1.953 178.275 176.300 0.035 0.000 1.116 285 R CA 0.322 56.434 56.100 0.021 0.000 1.056 285 R CB 0.297 30.563 30.300 -0.057 0.000 1.369 285 R HN 0.345 nan 8.270 nan 0.000 0.590 286 A N 1.478 124.322 122.820 0.042 0.000 1.972 286 A HA -0.230 4.090 4.320 0.001 0.000 0.219 286 A C 1.707 179.322 177.584 0.053 0.000 1.169 286 A CA 1.935 54.003 52.037 0.051 0.000 0.635 286 A CB -0.160 18.863 19.000 0.038 0.000 0.810 286 A HN 0.482 nan 8.150 nan 0.000 0.446 287 D N 0.445 120.866 120.400 0.036 0.000 2.144 287 D HA -0.161 4.480 4.640 0.001 0.000 0.199 287 D C 1.710 178.024 176.300 0.023 0.000 0.984 287 D CA 1.324 55.340 54.000 0.026 0.000 0.834 287 D CB -0.657 40.147 40.800 0.007 0.000 0.955 287 D HN 0.535 nan 8.370 nan 0.000 0.465 288 I N 0.931 121.503 120.570 0.004 0.000 2.286 288 I HA -0.130 4.040 4.170 0.001 0.000 0.245 288 I C 2.689 178.843 176.117 0.062 0.000 1.104 288 I CA 0.941 62.228 61.300 -0.021 0.000 1.397 288 I CB -0.279 37.674 38.000 -0.079 0.000 1.072 288 I HN 0.018 nan 8.210 nan 0.000 0.417 289 A N 1.027 123.909 122.820 0.104 0.000 1.933 289 A HA -0.195 4.125 4.320 0.001 0.000 0.218 289 A C 2.033 179.739 177.584 0.203 0.000 1.175 289 A CA 1.737 53.887 52.037 0.189 0.000 0.628 289 A CB -0.568 18.561 19.000 0.216 0.000 0.814 289 A HN 0.398 nan 8.150 nan 0.000 0.444 290 N N -0.310 118.478 118.700 0.147 0.000 2.171 290 N HA -0.100 4.640 4.740 0.001 0.000 0.184 290 N C 1.589 177.204 175.510 0.174 0.000 1.021 290 N CA 1.316 54.452 53.050 0.144 0.000 0.854 290 N CB -0.515 38.030 38.487 0.097 0.000 0.994 290 N HN 0.407 nan 8.380 nan 0.000 0.426 291 L N 1.281 122.610 121.223 0.176 0.000 2.046 291 L HA -0.012 4.328 4.340 0.001 0.000 0.208 291 L C 2.072 179.195 176.870 0.421 0.000 1.077 291 L CA 1.518 56.527 54.840 0.282 0.000 0.747 291 L CB -0.929 41.245 42.059 0.191 0.000 0.896 291 L HN 0.119 nan 8.230 nan 0.000 0.432 292 A N -0.929 122.074 122.820 0.305 0.000 1.933 292 A HA -0.219 4.101 4.320 0.001 0.000 0.218 292 A C 1.968 179.666 177.584 0.189 0.000 1.175 292 A CA 1.763 53.854 52.037 0.089 0.000 0.628 292 A CB -0.844 17.891 19.000 -0.440 0.000 0.814 292 A HN 0.516 nan 8.150 nan 0.000 0.444 293 D N -0.029 120.559 120.400 0.313 0.000 2.158 293 D HA -0.153 4.487 4.640 0.001 0.000 0.197 293 D C 1.855 178.265 176.300 0.184 0.000 0.995 293 D CA 1.458 55.639 54.000 0.302 0.000 0.846 293 D CB -0.328 40.610 40.800 0.231 0.000 0.941 293 D HN 0.642 nan 8.370 nan 0.000 0.456 294 E N -1.039 119.265 120.200 0.174 0.000 2.274 294 E HA -0.079 4.272 4.350 0.001 0.000 0.194 294 E C 0.758 177.299 176.600 -0.099 0.000 0.996 294 E CA 0.438 56.855 56.400 0.028 0.000 0.840 294 E CB 0.030 29.740 29.700 0.016 0.000 0.772 294 E HN 0.329 nan 8.360 nan 0.000 0.491 295 F N 0.200 120.166 119.950 0.026 0.000 2.708 295 F HA 0.175 4.702 4.527 0.000 0.000 0.300 295 F C 1.642 177.404 175.800 -0.063 0.000 1.118 295 F CA -0.314 57.675 58.000 -0.019 0.000 1.307 295 F CB 0.447 39.352 39.000 -0.157 0.000 0.986 295 F HN -0.198 nan 8.300 nan 0.000 0.522 296 K N 1.094 121.572 120.400 0.130 0.000 2.127 296 K HA -0.223 4.098 4.320 0.001 0.000 0.208 296 K C 1.374 178.005 176.600 0.053 0.000 1.047 296 K CA 2.143 58.522 56.287 0.153 0.000 0.927 296 K CB -0.284 32.323 32.500 0.179 0.000 0.716 296 K HN 0.108 nan 8.250 nan 0.000 0.450 297 D N -0.270 120.078 120.400 -0.086 0.000 2.182 297 D HA -0.161 4.479 4.640 0.001 0.000 0.201 297 D C 1.456 177.644 176.300 -0.186 0.000 0.986 297 D CA 1.059 54.950 54.000 -0.183 0.000 0.847 297 D CB -0.256 40.337 40.800 -0.345 0.000 0.942 297 D HN 0.463 nan 8.370 nan 0.000 0.467 298 H N -0.424 118.681 119.070 0.058 0.000 2.547 298 H HA 0.171 4.727 4.556 0.001 0.000 0.266 298 H C 1.453 176.797 175.328 0.026 0.000 0.988 298 H CA 0.286 56.360 56.048 0.043 0.000 1.147 298 H CB 0.491 30.283 29.762 0.051 0.000 1.365 298 H HN 0.179 nan 8.280 nan 0.000 0.589 299 L N 0.838 122.131 121.223 0.118 0.000 2.857 299 L HA 0.183 4.524 4.340 0.001 0.000 0.249 299 L C 0.166 177.134 176.870 0.164 0.000 1.172 299 L CA -0.199 54.715 54.840 0.124 0.000 0.980 299 L CB 0.710 42.823 42.059 0.090 0.000 1.299 299 L HN -0.063 nan 8.230 nan 0.000 0.535 300 V N -4.203 115.784 119.914 0.123 0.000 3.040 300 V HA 0.700 4.820 4.120 0.001 0.000 0.312 300 V C -2.711 173.428 176.094 0.074 0.000 1.115 300 V CA -2.332 60.035 62.300 0.112 0.000 0.998 300 V CB 1.835 33.717 31.823 0.098 0.000 1.042 300 V HN -0.160 nan 8.190 nan 0.000 0.433 301 P HA 0.239 nan 4.420 nan 0.000 0.272 301 P C -0.876 176.423 177.300 -0.002 0.000 1.230 301 P CA 0.091 63.203 63.100 0.019 0.000 0.788 301 P CB 0.522 32.227 31.700 0.009 0.000 0.949 302 D N -0.142 120.243 120.400 -0.025 0.000 2.339 302 D HA 0.071 4.711 4.640 0.001 0.000 0.245 302 D C 0.451 176.725 176.300 -0.044 0.000 1.115 302 D CA 0.189 54.173 54.000 -0.026 0.000 0.917 302 D CB 0.353 41.140 40.800 -0.022 0.000 1.192 302 D HN 0.145 nan 8.370 nan 0.000 0.428 303 S N -0.306 115.378 115.700 -0.027 0.000 2.533 303 S HA 0.364 4.835 4.470 0.001 0.000 0.282 303 S C 1.115 175.691 174.600 -0.040 0.000 1.304 303 S CA 0.513 58.698 58.200 -0.024 0.000 1.063 303 S CB 0.126 63.320 63.200 -0.011 0.000 0.881 303 S HN 0.633 nan 8.310 nan 0.000 0.493 304 G N 2.942 111.713 108.800 -0.049 0.000 2.160 304 G HA2 -0.269 3.691 3.960 0.001 0.000 0.251 304 G HA3 -0.269 3.691 3.960 0.001 0.000 0.251 304 G C 0.455 175.295 174.900 -0.099 0.000 1.008 304 G CA 0.068 45.135 45.100 -0.054 0.000 0.724 304 G HN 1.409 nan 8.290 nan 0.000 0.514 305 C N -0.594 118.598 119.300 -0.181 0.000 2.657 305 C HA 0.674 5.134 4.460 0.001 0.000 0.404 305 C C 0.863 175.627 174.990 -0.377 0.000 1.291 305 C CA -1.125 57.738 59.018 -0.259 0.000 2.218 305 C CB 0.579 28.122 27.740 -0.329 0.000 2.687 305 C HN 0.564 nan 8.230 nan 0.000 0.634 306 H N 1.602 120.448 119.070 -0.374 0.000 2.517 306 H HA 0.383 4.940 4.556 0.001 0.000 0.317 306 H C -1.311 173.805 175.328 -0.352 0.000 1.080 306 H CA -0.219 55.646 56.048 -0.306 0.000 1.301 306 H CB 0.466 30.150 29.762 -0.130 0.000 1.425 306 H HN 0.782 nan 8.280 nan 0.000 0.471 307 Y N 3.363 123.364 120.300 -0.497 0.000 2.334 307 Y HA 0.060 4.610 4.550 0.001 0.000 0.328 307 Y C 1.498 176.991 175.900 -0.678 0.000 1.130 307 Y CA -0.719 57.103 58.100 -0.463 0.000 1.163 307 Y CB 1.041 39.350 38.460 -0.251 0.000 1.207 307 Y HN 0.661 nan 8.280 nan 0.000 0.471 308 D N 0.835 121.092 120.400 -0.238 0.000 2.317 308 D HA -0.103 4.537 4.640 0.001 0.000 0.211 308 D C 0.185 176.447 176.300 -0.064 0.000 0.966 308 D CA 1.112 55.018 54.000 -0.156 0.000 0.876 308 D CB 0.611 41.386 40.800 -0.042 0.000 0.927 308 D HN 0.563 nan 8.370 nan 0.000 0.519 309 Q N 0.261 120.027 119.800 -0.056 0.000 2.320 309 Q HA 0.323 4.664 4.340 0.001 0.000 0.272 309 Q C -2.114 173.850 176.000 -0.060 0.000 1.023 309 Q CA -0.648 55.130 55.803 -0.042 0.000 0.855 309 Q CB 2.158 30.868 28.738 -0.048 0.000 1.367 309 Q HN -0.091 nan 8.270 nan 0.000 0.406 310 L N 5.081 126.279 121.223 -0.041 0.000 2.346 310 L HA 0.645 4.985 4.340 0.001 0.000 0.276 310 L C -1.182 175.641 176.870 -0.079 0.000 1.006 310 L CA -0.574 54.228 54.840 -0.063 0.000 0.817 310 L CB 1.695 43.764 42.059 0.015 0.000 1.272 310 L HN 0.777 nan 8.230 nan 0.000 0.421 311 I N 2.740 123.233 120.570 -0.127 0.000 2.608 311 I HA 0.370 4.540 4.170 0.001 0.000 0.295 311 I C -0.557 175.488 176.117 -0.119 0.000 1.049 311 I CA -0.619 60.616 61.300 -0.107 0.000 1.063 311 I CB 2.705 40.629 38.000 -0.126 0.000 1.248 311 I HN 0.564 nan 8.210 nan 0.000 0.424 312 E N 6.090 126.243 120.200 -0.079 0.000 2.187 312 E HA 0.640 4.991 4.350 0.001 0.000 0.268 312 E C -1.529 175.038 176.600 -0.054 0.000 0.896 312 E CA -0.503 55.851 56.400 -0.076 0.000 0.766 312 E CB 1.704 31.378 29.700 -0.043 0.000 1.142 312 E HN 0.443 nan 8.360 nan 0.000 0.408 313 I N 3.877 124.416 120.570 -0.052 0.000 2.466 313 I HA 0.248 4.418 4.170 0.001 0.000 0.289 313 I C -0.723 175.389 176.117 -0.008 0.000 1.026 313 I CA -1.083 60.205 61.300 -0.021 0.000 1.078 313 I CB 1.842 39.836 38.000 -0.009 0.000 1.249 313 I HN 0.469 nan 8.210 nan 0.000 0.429 314 N N 6.293 124.995 118.700 0.004 0.000 2.462 314 N HA 0.188 4.928 4.740 0.001 0.000 0.242 314 N C 0.480 176.003 175.510 0.022 0.000 1.010 314 N CA -0.358 52.699 53.050 0.012 0.000 0.939 314 N CB 1.094 39.589 38.487 0.014 0.000 1.127 314 N HN 0.471 nan 8.380 nan 0.000 0.509 315 L N 2.337 123.575 121.223 0.024 0.000 2.187 315 L HA -0.096 4.244 4.340 0.001 0.000 0.213 315 L C 1.973 178.863 176.870 0.032 0.000 1.100 315 L CA 1.419 56.277 54.840 0.030 0.000 0.765 315 L CB -0.760 41.317 42.059 0.030 0.000 0.904 315 L HN 0.548 nan 8.230 nan 0.000 0.437 316 S N -1.290 114.426 115.700 0.028 0.000 2.436 316 S HA -0.104 4.366 4.470 0.001 0.000 0.228 316 S C 1.752 176.371 174.600 0.032 0.000 1.014 316 S CA 0.668 58.885 58.200 0.028 0.000 0.950 316 S CB -0.026 63.188 63.200 0.023 0.000 0.784 316 S HN 0.385 nan 8.310 nan 0.000 0.504 317 E N 0.468 120.688 120.200 0.033 0.000 2.442 317 E HA 0.192 4.543 4.350 0.001 0.000 0.195 317 E C 0.168 176.800 176.600 0.053 0.000 1.030 317 E CA -0.174 56.248 56.400 0.037 0.000 0.869 317 E CB 0.040 29.759 29.700 0.032 0.000 0.857 317 E HN 0.251 nan 8.360 nan 0.000 0.505 318 L N 1.102 122.362 121.223 0.062 0.000 2.453 318 L HA 0.214 4.554 4.340 0.001 0.000 0.272 318 L C -0.420 176.515 176.870 0.108 0.000 1.182 318 L CA 0.360 55.257 54.840 0.096 0.000 0.858 318 L CB 0.491 42.596 42.059 0.077 0.000 1.120 318 L HN -0.275 nan 8.230 nan 0.000 0.474 319 K N 4.969 125.453 120.400 0.140 0.000 2.400 319 K HA 0.638 4.958 4.320 0.001 0.000 0.246 319 K C -2.584 174.075 176.600 0.098 0.000 0.995 319 K CA -2.212 54.124 56.287 0.081 0.000 0.840 319 K CB 1.568 34.074 32.500 0.010 0.000 1.293 319 K HN 0.270 nan 8.250 nan 0.000 0.445 320 P HA -0.029 nan 4.420 nan 0.000 0.264 320 P C -0.842 176.440 177.300 -0.031 0.000 1.183 320 P CA 0.587 63.724 63.100 0.061 0.000 0.763 320 P CB 0.335 32.038 31.700 0.005 0.000 0.807 321 H N 1.422 120.507 119.070 0.026 0.000 2.834 321 H HA 0.655 5.211 4.556 0.001 0.000 0.369 321 H C -0.579 174.778 175.328 0.048 0.000 1.174 321 H CA -0.729 55.340 56.048 0.036 0.000 1.165 321 H CB 2.443 32.222 29.762 0.029 0.000 1.820 321 H HN 0.309 nan 8.280 nan 0.000 0.558 322 I N 2.032 122.715 120.570 0.189 0.000 2.644 322 I HA 0.231 4.402 4.170 0.001 0.000 0.291 322 I C -1.565 174.699 176.117 0.244 0.000 1.180 322 I CA -0.601 60.812 61.300 0.189 0.000 1.040 322 I CB 1.650 39.735 38.000 0.143 0.000 1.255 322 I HN 0.466 nan 8.210 nan 0.000 0.422 323 N N 4.569 123.378 118.700 0.182 0.000 2.319 323 N HA 0.956 5.696 4.740 0.001 0.000 0.305 323 N C -0.346 175.184 175.510 0.032 0.000 1.103 323 N CA 0.067 53.166 53.050 0.083 0.000 0.815 323 N CB 2.150 40.638 38.487 0.002 0.000 1.288 323 N HN 1.044 nan 8.380 nan 0.000 0.493 324 G N 0.653 109.415 108.800 -0.063 0.000 2.331 324 G HA2 -0.036 3.924 3.960 0.001 0.000 0.402 324 G HA3 -0.036 3.924 3.960 0.001 0.000 0.402 324 G C -2.570 172.044 174.900 -0.476 0.000 1.275 324 G CA -0.634 44.256 45.100 -0.350 0.000 1.003 324 G HN 0.410 nan 8.290 nan 0.000 0.500 325 P HA 0.320 nan 4.420 nan 0.000 0.259 325 P C 0.513 177.225 177.300 -0.980 0.000 1.233 325 P CA 0.561 62.859 63.100 -1.337 0.000 0.827 325 P CB 0.254 30.887 31.700 -1.779 0.000 1.154 326 F N 0.290 120.059 119.950 -0.301 0.000 2.729 326 F HA 0.249 4.776 4.527 0.001 0.000 0.315 326 F C 0.485 176.326 175.800 0.068 0.000 1.102 326 F CA 0.152 58.076 58.000 -0.127 0.000 1.204 326 F CB 0.426 39.359 39.000 -0.112 0.000 1.052 326 F HN -0.218 nan 8.300 nan 0.000 0.551 327 T N -2.143 112.492 114.554 0.134 0.000 2.916 327 T HA 0.277 4.628 4.350 0.001 0.000 0.305 327 T C -2.306 172.418 174.700 0.040 0.000 1.119 327 T CA -1.688 60.526 62.100 0.190 0.000 1.008 327 T CB 2.536 71.501 68.868 0.162 0.000 1.129 327 T HN -0.307 nan 8.240 nan 0.000 0.480 328 P HA 0.033 nan 4.420 nan 0.000 0.236 328 P C 0.417 177.716 177.300 -0.002 0.000 1.177 328 P CA 0.758 63.843 63.100 -0.025 0.000 0.773 328 P CB 0.093 31.759 31.700 -0.055 0.000 0.878 329 D N -1.012 119.404 120.400 0.027 0.000 2.350 329 D HA -0.027 4.613 4.640 0.001 0.000 0.213 329 D C 0.890 177.185 176.300 -0.007 0.000 1.031 329 D CA -0.171 53.838 54.000 0.014 0.000 0.861 329 D CB -0.948 39.873 40.800 0.035 0.000 0.926 329 D HN 0.180 nan 8.370 nan 0.000 0.520 330 L N 1.461 122.674 121.223 -0.017 0.000 2.462 330 L HA 0.387 4.727 4.340 0.001 0.000 0.283 330 L C -0.247 176.477 176.870 -0.245 0.000 1.166 330 L CA -0.339 54.469 54.840 -0.054 0.000 0.964 330 L CB -0.164 41.913 42.059 0.029 0.000 1.294 330 L HN 0.023 nan 8.230 nan 0.000 0.449 331 A N 5.151 127.831 122.820 -0.234 0.000 2.310 331 A HA 0.622 4.942 4.320 0.001 0.000 0.299 331 A C -0.798 176.565 177.584 -0.369 0.000 1.147 331 A CA -0.386 51.523 52.037 -0.214 0.000 0.818 331 A CB 0.459 19.461 19.000 0.004 0.000 1.096 331 A HN 0.760 nan 8.150 nan 0.000 0.495 332 H N 0.856 120.055 119.070 0.216 0.000 2.894 332 H HA 0.383 4.939 4.556 0.000 0.000 0.367 332 H C -2.891 172.418 175.328 -0.031 0.000 1.144 332 H CA -1.890 54.233 56.048 0.125 0.000 1.180 332 H CB 1.516 31.366 29.762 0.147 0.000 1.758 332 H HN 0.380 nan 8.280 nan 0.000 0.541 333 P HA -0.029 nan 4.420 nan 0.000 0.269 333 P C 1.204 178.430 177.300 -0.122 0.000 1.209 333 P CA -0.177 62.728 63.100 -0.324 0.000 0.776 333 P CB 1.224 32.758 31.700 -0.276 0.000 0.876 334 V N 2.659 122.480 119.914 -0.156 0.000 2.295 334 V HA -0.299 3.821 4.120 0.001 0.000 0.246 334 V C 2.409 178.409 176.094 -0.157 0.000 1.049 334 V CA 2.682 64.903 62.300 -0.132 0.000 1.024 334 V CB -1.701 30.018 31.823 -0.172 0.000 0.648 334 V HN 0.693 nan 8.190 nan 0.000 0.447 335 A N -0.357 122.354 122.820 -0.182 0.000 2.054 335 A HA -0.310 4.010 4.320 0.001 0.000 0.223 335 A C 2.019 179.531 177.584 -0.121 0.000 1.169 335 A CA 2.460 54.395 52.037 -0.169 0.000 0.655 335 A CB -0.390 18.519 19.000 -0.151 0.000 0.812 335 A HN 0.731 nan 8.150 nan 0.000 0.462 336 E N -1.763 118.386 120.200 -0.084 0.000 2.539 336 E HA 0.158 4.508 4.350 0.001 0.000 0.215 336 E C 1.404 177.969 176.600 -0.059 0.000 0.965 336 E CA 0.277 56.642 56.400 -0.058 0.000 1.019 336 E CB 0.367 30.055 29.700 -0.021 0.000 1.059 336 E HN 0.285 nan 8.360 nan 0.000 0.496 337 V N 1.031 120.910 119.914 -0.058 0.000 2.490 337 V HA -0.150 3.971 4.120 0.001 0.000 0.250 337 V C 2.005 178.039 176.094 -0.100 0.000 1.061 337 V CA 2.404 64.650 62.300 -0.089 0.000 1.064 337 V CB -0.452 31.330 31.823 -0.070 0.000 0.670 337 V HN 0.408 nan 8.190 nan 0.000 0.461 338 G N -0.856 107.882 108.800 -0.103 0.000 2.442 338 G HA2 -0.233 3.727 3.960 0.001 0.000 0.219 338 G HA3 -0.233 3.727 3.960 0.001 0.000 0.219 338 G C 1.727 176.574 174.900 -0.089 0.000 1.141 338 G CA 1.214 46.259 45.100 -0.091 0.000 0.763 338 G HN 0.584 nan 8.290 nan 0.000 0.554 339 S N -0.202 115.442 115.700 -0.094 0.000 2.425 339 S HA 0.005 4.475 4.470 0.001 0.000 0.225 339 S C 2.398 176.915 174.600 -0.138 0.000 1.024 339 S CA 0.767 58.909 58.200 -0.098 0.000 0.951 339 S CB 0.158 63.310 63.200 -0.079 0.000 0.796 339 S HN 0.197 nan 8.310 nan 0.000 0.498 340 V N 2.121 121.935 119.914 -0.167 0.000 2.488 340 V HA -0.052 4.068 4.120 0.001 0.000 0.246 340 V C 2.650 178.428 176.094 -0.527 0.000 1.046 340 V CA 1.391 63.523 62.300 -0.280 0.000 1.053 340 V CB -1.237 30.436 31.823 -0.250 0.000 0.679 340 V HN 0.503 nan 8.190 nan 0.000 0.458 341 A N 0.207 122.839 122.820 -0.314 0.000 1.858 341 A HA -0.286 4.034 4.320 0.001 0.000 0.216 341 A C 2.251 179.664 177.584 -0.285 0.000 1.190 341 A CA 2.118 54.020 52.037 -0.224 0.000 0.617 341 A CB -0.573 18.513 19.000 0.143 0.000 0.827 341 A HN 0.587 nan 8.150 nan 0.000 0.443 342 E N -0.151 119.944 120.200 -0.175 0.000 2.049 342 E HA -0.286 4.064 4.350 0.001 0.000 0.198 342 E C 2.111 178.605 176.600 -0.177 0.000 1.007 342 E CA 1.916 58.236 56.400 -0.134 0.000 0.809 342 E CB -0.162 29.478 29.700 -0.101 0.000 0.749 342 E HN 0.614 nan 8.360 nan 0.000 0.450 343 K N 0.234 120.502 120.400 -0.221 0.000 2.032 343 K HA -0.235 4.086 4.320 0.001 0.000 0.209 343 K C 1.854 178.284 176.600 -0.284 0.000 1.048 343 K CA 1.888 58.045 56.287 -0.217 0.000 0.927 343 K CB -0.045 32.332 32.500 -0.204 0.000 0.712 343 K HN -0.015 nan 8.250 nan 0.000 0.441 344 E N -0.907 118.979 120.200 -0.523 0.000 2.478 344 E HA 0.084 4.435 4.350 0.001 0.000 0.194 344 E C 0.173 176.546 176.600 -0.379 0.000 1.045 344 E CA 0.693 56.748 56.400 -0.574 0.000 0.868 344 E CB 0.556 29.553 29.700 -1.172 0.000 0.885 344 E HN 0.585 nan 8.360 nan 0.000 0.505 345 G N 0.758 109.392 108.800 -0.276 0.000 2.248 345 G HA2 -0.196 3.765 3.960 0.001 0.000 0.263 345 G HA3 -0.196 3.765 3.960 0.001 0.000 0.263 345 G C -0.698 174.301 174.900 0.164 0.000 1.082 345 G CA -0.040 45.036 45.100 -0.040 0.000 0.863 345 G HN 0.026 nan 8.290 nan 0.000 0.495 346 W N -0.633 120.751 121.300 0.140 0.000 2.433 346 W HA 0.531 5.191 4.660 0.000 0.000 0.315 346 W C -2.087 174.447 176.519 0.025 0.000 1.087 346 W CA -3.478 53.978 57.345 0.186 0.000 1.205 346 W CB 0.540 30.237 29.460 0.394 0.000 1.288 346 W HN 0.034 nan 8.180 nan 0.000 0.504 347 P HA -0.065 nan 4.420 nan 0.000 0.262 347 P C 0.947 178.286 177.300 0.064 0.000 1.182 347 P CA 0.217 63.339 63.100 0.037 0.000 0.761 347 P CB 0.765 32.437 31.700 -0.045 0.000 0.795 348 L N 2.095 123.334 121.223 0.026 0.000 2.446 348 L HA 0.050 4.390 4.340 0.001 0.000 0.219 348 L C 0.911 177.769 176.870 -0.020 0.000 1.116 348 L CA 1.390 56.228 54.840 -0.004 0.000 0.844 348 L CB -0.953 41.098 42.059 -0.014 0.000 0.970 348 L HN 0.442 nan 8.230 nan 0.000 0.457 349 D N 0.365 120.760 120.400 -0.008 0.000 2.198 349 D HA 0.224 4.865 4.640 0.001 0.000 0.245 349 D C -0.003 176.299 176.300 0.003 0.000 1.079 349 D CA -0.400 53.593 54.000 -0.011 0.000 0.854 349 D CB 2.104 42.899 40.800 -0.008 0.000 1.148 349 D HN -0.011 nan 8.370 nan 0.000 0.456 350 I N 2.584 123.152 120.570 -0.004 0.000 2.304 350 I HA 0.121 4.291 4.170 0.001 0.000 0.291 350 I C 1.626 177.763 176.117 0.033 0.000 1.018 350 I CA -0.844 60.466 61.300 0.017 0.000 1.260 350 I CB 1.219 39.217 38.000 -0.004 0.000 1.390 350 I HN 0.118 nan 8.210 nan 0.000 0.475 351 R N 4.468 125.004 120.500 0.060 0.000 2.062 351 R HA 0.154 4.494 4.340 0.001 0.000 0.226 351 R C 0.139 176.503 176.300 0.106 0.000 1.125 351 R CA 0.970 57.113 56.100 0.072 0.000 0.966 351 R CB -0.158 30.186 30.300 0.074 0.000 0.861 351 R HN 0.415 nan 8.270 nan 0.000 0.433 352 V N -0.312 119.686 119.914 0.141 0.000 2.709 352 V HA 0.600 4.720 4.120 0.001 0.000 0.308 352 V C -0.088 176.081 176.094 0.125 0.000 1.062 352 V CA -1.126 61.280 62.300 0.176 0.000 0.901 352 V CB 1.981 33.990 31.823 0.310 0.000 1.003 352 V HN 0.311 nan 8.190 nan 0.000 0.425 353 G N 3.619 112.502 108.800 0.139 0.000 2.422 353 G HA2 0.702 4.662 3.960 0.001 0.000 0.317 353 G HA3 0.702 4.662 3.960 0.001 0.000 0.317 353 G C -1.351 173.618 174.900 0.115 0.000 1.210 353 G CA -0.426 44.757 45.100 0.139 0.000 0.930 353 G HN 0.499 nan 8.290 nan 0.000 0.468 354 L N 3.594 124.761 121.223 -0.092 0.000 2.343 354 L HA 0.542 4.883 4.340 0.001 0.000 0.278 354 L C 0.289 177.007 176.870 -0.254 0.000 0.996 354 L CA -0.678 54.007 54.840 -0.258 0.000 0.831 354 L CB 1.689 43.452 42.059 -0.493 0.000 1.232 354 L HN 0.633 nan 8.230 nan 0.000 0.413 355 I N -0.395 120.085 120.570 -0.150 0.000 2.863 355 I HA 1.067 5.238 4.170 0.001 0.000 0.311 355 I C 0.662 176.788 176.117 0.015 0.000 1.026 355 I CA -0.415 60.854 61.300 -0.053 0.000 1.077 355 I CB 1.914 39.908 38.000 -0.009 0.000 1.262 355 I HN 0.685 nan 8.210 nan 0.000 0.461 356 G N 2.911 111.752 108.800 0.068 0.000 2.443 356 G HA2 0.258 4.219 3.960 0.001 0.000 0.209 356 G HA3 0.258 4.219 3.960 0.001 0.000 0.209 356 G C -0.145 174.814 174.900 0.099 0.000 1.176 356 G CA 0.358 45.495 45.100 0.061 0.000 1.074 356 G HN 2.727 nan 8.290 nan 0.000 0.577 357 S N -3.197 112.477 115.700 -0.043 0.000 3.832 357 S HA -0.020 4.450 4.470 0.001 0.000 0.719 357 S C 2.027 176.555 174.600 -0.120 0.000 1.382 357 S CA 1.267 59.345 58.200 -0.203 0.000 1.406 357 S CB -1.784 61.155 63.200 -0.435 0.000 0.425 357 S HN 2.836 nan 8.310 nan 0.000 0.834 358 C N -0.107 119.117 119.300 -0.126 0.000 2.419 358 C HA 0.062 4.522 4.460 0.001 0.000 0.281 358 C C 2.790 177.742 174.990 -0.062 0.000 1.336 358 C CA 1.552 60.531 59.018 -0.065 0.000 1.770 358 C CB -2.498 25.245 27.740 0.004 0.000 1.929 358 C HN 1.023 nan 8.230 nan 0.000 0.509 359 T N 0.657 115.153 114.554 -0.097 0.000 2.833 359 T HA -0.135 4.215 4.350 0.001 0.000 0.269 359 T C 0.832 175.502 174.700 -0.050 0.000 1.054 359 T CA 1.985 64.031 62.100 -0.091 0.000 1.135 359 T CB -0.540 68.263 68.868 -0.110 0.000 0.869 359 T HN 0.804 nan 8.240 nan 0.000 0.466 360 N N 0.102 118.788 118.700 -0.023 0.000 2.605 360 N HA 0.139 4.879 4.740 0.001 0.000 0.265 360 N C -0.426 175.085 175.510 0.003 0.000 1.625 360 N CA -0.141 52.905 53.050 -0.007 0.000 0.862 360 N CB 1.043 39.538 38.487 0.013 0.000 1.415 360 N HN 0.130 nan 8.380 nan 0.000 0.513 361 S N -1.431 114.267 115.700 -0.003 0.000 2.809 361 S HA 0.185 4.656 4.470 0.001 0.000 0.248 361 S C 0.511 175.136 174.600 0.041 0.000 1.071 361 S CA -0.673 57.532 58.200 0.009 0.000 1.059 361 S CB 0.003 63.197 63.200 -0.010 0.000 0.923 361 S HN 0.251 nan 8.310 nan 0.000 0.516 362 S N 0.639 116.371 115.700 0.053 0.000 2.655 362 S HA 0.377 4.848 4.470 0.001 0.000 0.265 362 S C 0.821 175.538 174.600 0.195 0.000 1.240 362 S CA -0.568 57.708 58.200 0.126 0.000 0.986 362 S CB 0.156 63.417 63.200 0.101 0.000 0.985 362 S HN 0.345 nan 8.310 nan 0.000 0.562 363 Y N 0.397 120.810 120.300 0.189 0.000 2.242 363 Y HA -0.066 4.484 4.550 0.000 0.000 0.291 363 Y C 2.566 178.556 175.900 0.151 0.000 1.137 363 Y CA 2.183 60.425 58.100 0.236 0.000 1.181 363 Y CB -0.251 38.401 38.460 0.319 0.000 0.989 363 Y HN 0.945 nan 8.280 nan 0.000 0.527 364 E N -0.312 120.010 120.200 0.203 0.000 2.106 364 E HA -0.202 4.148 4.350 0.001 0.000 0.192 364 E C 1.495 178.045 176.600 -0.083 0.000 0.984 364 E CA 1.352 57.775 56.400 0.037 0.000 0.806 364 E CB -0.079 29.668 29.700 0.077 0.000 0.750 364 E HN 0.527 nan 8.360 nan 0.000 0.458 365 D N 0.261 120.636 120.400 -0.041 0.000 2.117 365 D HA -0.156 4.484 4.640 0.001 0.000 0.198 365 D C 1.964 178.193 176.300 -0.117 0.000 0.982 365 D CA 0.962 54.925 54.000 -0.061 0.000 0.828 365 D CB -0.069 40.720 40.800 -0.019 0.000 0.967 365 D HN 0.277 nan 8.370 nan 0.000 0.464 366 M N 0.363 119.882 119.600 -0.136 0.000 2.175 366 M HA -0.018 4.462 4.480 0.001 0.000 0.264 366 M C 2.383 178.369 176.300 -0.522 0.000 1.063 366 M CA 0.972 56.159 55.300 -0.189 0.000 1.119 366 M CB -1.373 31.196 32.600 -0.051 0.000 1.377 366 M HN -0.013 nan 8.290 nan 0.000 0.415 367 G N -0.030 108.275 108.800 -0.825 0.000 2.408 367 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 367 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 367 G C 1.909 176.433 174.900 -0.626 0.000 1.150 367 G CA 0.398 44.718 45.100 -1.301 0.000 0.776 367 G HN 0.386 nan 8.290 nan 0.000 0.542 368 R N 0.321 120.604 120.500 -0.363 0.000 2.073 368 R HA 0.011 4.351 4.340 0.001 0.000 0.229 368 R C 3.039 179.232 176.300 -0.178 0.000 1.120 368 R CA 1.294 57.251 56.100 -0.237 0.000 0.967 368 R CB -0.275 29.925 30.300 -0.167 0.000 0.862 368 R HN 0.311 nan 8.270 nan 0.000 0.436 369 S N 0.959 116.582 115.700 -0.128 0.000 2.359 369 S HA -0.180 4.291 4.470 0.001 0.000 0.224 369 S C 2.098 176.677 174.600 -0.035 0.000 1.035 369 S CA 1.361 59.548 58.200 -0.022 0.000 1.018 369 S CB -0.249 62.976 63.200 0.041 0.000 0.876 369 S HN 0.475 nan 8.310 nan 0.000 0.448 370 A N 1.500 124.238 122.820 -0.136 0.000 1.972 370 A HA 0.111 4.431 4.320 0.001 0.000 0.219 370 A C 2.333 179.869 177.584 -0.079 0.000 1.169 370 A CA 1.656 53.635 52.037 -0.097 0.000 0.635 370 A CB -0.978 17.907 19.000 -0.192 0.000 0.810 370 A HN 0.526 nan 8.150 nan 0.000 0.446 371 A N -0.652 122.084 122.820 -0.140 0.000 1.969 371 A HA 0.059 4.379 4.320 0.001 0.000 0.218 371 A C 2.189 179.744 177.584 -0.048 0.000 1.169 371 A CA 1.698 53.675 52.037 -0.099 0.000 0.635 371 A CB -0.675 18.233 19.000 -0.153 0.000 0.810 371 A HN 0.362 nan 8.150 nan 0.000 0.445 372 V N -0.326 119.570 119.914 -0.031 0.000 2.323 372 V HA -0.157 3.964 4.120 0.001 0.000 0.244 372 V C 3.040 179.176 176.094 0.071 0.000 1.041 372 V CA 1.690 64.020 62.300 0.051 0.000 1.025 372 V CB -1.219 30.669 31.823 0.108 0.000 0.656 372 V HN 0.577 nan 8.190 nan 0.000 0.451 373 A N 1.609 124.456 122.820 0.044 0.000 1.908 373 A HA -0.264 4.056 4.320 0.001 0.000 0.218 373 A C 2.136 179.755 177.584 0.057 0.000 1.181 373 A CA 2.355 54.419 52.037 0.045 0.000 0.627 373 A CB -0.490 18.552 19.000 0.069 0.000 0.818 373 A HN 0.683 nan 8.150 nan 0.000 0.445 374 K N 0.504 120.932 120.400 0.047 0.000 2.280 374 K HA -0.127 4.194 4.320 0.001 0.000 0.202 374 K C 1.652 178.285 176.600 0.055 0.000 1.047 374 K CA 1.790 58.103 56.287 0.044 0.000 0.942 374 K CB -0.572 31.947 32.500 0.032 0.000 0.739 374 K HN 0.653 nan 8.250 nan 0.000 0.457 375 Q N 0.287 120.143 119.800 0.093 0.000 2.083 375 Q HA 0.105 4.446 4.340 0.001 0.000 0.198 375 Q C 2.300 178.418 176.000 0.197 0.000 0.969 375 Q CA 1.240 57.135 55.803 0.153 0.000 0.838 375 Q CB -0.254 28.613 28.738 0.215 0.000 0.900 375 Q HN 0.484 nan 8.270 nan 0.000 0.436 376 A N 1.137 124.081 122.820 0.206 0.000 1.902 376 A HA -0.151 4.169 4.320 0.001 0.000 0.217 376 A C 2.091 179.735 177.584 0.101 0.000 1.181 376 A CA 1.026 53.197 52.037 0.224 0.000 0.623 376 A CB -0.697 18.397 19.000 0.157 0.000 0.818 376 A HN 0.270 nan 8.150 nan 0.000 0.443 377 L N -0.765 120.492 121.223 0.058 0.000 2.042 377 L HA -0.218 4.122 4.340 0.001 0.000 0.210 377 L C 2.999 179.846 176.870 -0.039 0.000 1.076 377 L CA 1.126 55.976 54.840 0.016 0.000 0.749 377 L CB -0.527 41.544 42.059 0.019 0.000 0.893 377 L HN 0.449 nan 8.230 nan 0.000 0.432 378 A N -1.160 121.621 122.820 -0.066 0.000 2.178 378 A HA -0.201 4.119 4.320 0.001 0.000 0.218 378 A C 1.317 178.629 177.584 -0.453 0.000 1.157 378 A CA 1.315 53.231 52.037 -0.202 0.000 0.689 378 A CB -0.743 18.146 19.000 -0.184 0.000 0.787 378 A HN 0.533 nan 8.150 nan 0.000 0.465 379 H N -1.826 117.063 119.070 -0.300 0.000 2.528 379 H HA 0.399 4.956 4.556 0.000 0.000 0.282 379 H C 1.302 176.526 175.328 -0.174 0.000 1.097 379 H CA 0.237 56.061 56.048 -0.373 0.000 1.121 379 H CB 0.285 29.501 29.762 -0.910 0.000 1.590 379 H HN 0.484 nan 8.280 nan 0.000 0.553 380 G N 0.923 109.695 108.800 -0.048 0.000 2.176 380 G HA2 -0.267 3.693 3.960 0.001 0.000 0.252 380 G HA3 -0.267 3.693 3.960 0.001 0.000 0.252 380 G C -0.110 174.808 174.900 0.030 0.000 1.024 380 G CA 0.225 45.320 45.100 -0.009 0.000 0.755 380 G HN 0.304 nan 8.290 nan 0.000 0.507 381 L N -1.185 120.071 121.223 0.055 0.000 2.332 381 L HA 0.806 5.146 4.340 0.001 0.000 0.269 381 L C 0.602 177.494 176.870 0.037 0.000 1.016 381 L CA -1.029 53.850 54.840 0.065 0.000 0.809 381 L CB 1.697 43.830 42.059 0.124 0.000 1.280 381 L HN 0.174 nan 8.230 nan 0.000 0.447 382 K N -0.481 119.928 120.400 0.015 0.000 2.469 382 K HA 0.457 4.777 4.320 0.001 0.000 0.268 382 K C -1.473 175.104 176.600 -0.038 0.000 1.027 382 K CA -0.869 55.418 56.287 -0.000 0.000 0.893 382 K CB 1.546 34.055 32.500 0.016 0.000 1.460 382 K HN 0.397 nan 8.250 nan 0.000 0.449 383 C N 2.364 121.627 119.300 -0.063 0.000 2.642 383 C HA 0.045 4.505 4.460 0.001 0.000 0.420 383 C C 1.988 176.942 174.990 -0.059 0.000 1.349 383 C CA 0.022 58.973 59.018 -0.111 0.000 1.821 383 C CB -0.189 27.471 27.740 -0.133 0.000 2.637 383 C HN 0.812 nan 8.230 nan 0.000 0.605 384 K N 1.413 121.764 120.400 -0.081 0.000 2.166 384 K HA 0.006 4.326 4.320 0.001 0.000 0.201 384 K C 0.877 177.461 176.600 -0.027 0.000 1.052 384 K CA 0.767 57.023 56.287 -0.053 0.000 0.969 384 K CB 0.117 32.570 32.500 -0.078 0.000 0.761 384 K HN 0.701 nan 8.250 nan 0.000 0.459 385 S N 1.220 116.901 115.700 -0.032 0.000 2.632 385 S HA 0.092 4.562 4.470 0.001 0.000 0.267 385 S C -0.051 174.590 174.600 0.069 0.000 1.276 385 S CA -0.527 57.684 58.200 0.018 0.000 0.998 385 S CB 1.474 64.685 63.200 0.019 0.000 0.953 385 S HN 0.260 nan 8.310 nan 0.000 0.547 386 Q N 0.243 120.108 119.800 0.109 0.000 2.421 386 Q HA 0.263 4.604 4.340 0.001 0.000 0.255 386 Q C -1.552 174.592 176.000 0.241 0.000 1.013 386 Q CA 0.201 56.098 55.803 0.156 0.000 0.895 386 Q CB 0.341 29.174 28.738 0.159 0.000 1.271 386 Q HN 0.535 nan 8.270 nan 0.000 0.460 387 F N 2.469 122.433 119.950 0.024 0.000 2.585 387 F HA 0.374 4.901 4.527 0.001 0.000 0.319 387 F C -1.118 174.674 175.800 -0.013 0.000 1.165 387 F CA -0.419 57.580 58.000 -0.002 0.000 0.949 387 F CB 1.667 40.666 39.000 -0.001 0.000 1.218 387 F HN 0.559 nan 8.300 nan 0.000 0.453 388 T N 3.731 118.090 114.554 -0.325 0.000 2.908 388 T HA 0.863 5.213 4.350 0.001 0.000 0.290 388 T C -0.916 173.495 174.700 -0.482 0.000 1.034 388 T CA -0.686 61.203 62.100 -0.353 0.000 1.010 388 T CB 2.017 70.740 68.868 -0.242 0.000 1.068 388 T HN 0.434 nan 8.240 nan 0.000 0.481 389 I N 1.650 122.005 120.570 -0.359 0.000 2.468 389 I HA 0.349 4.519 4.170 0.001 0.000 0.285 389 I C -0.258 175.764 176.117 -0.159 0.000 1.039 389 I CA -0.526 60.600 61.300 -0.290 0.000 1.074 389 I CB 2.533 40.352 38.000 -0.302 0.000 1.228 389 I HN 0.718 nan 8.210 nan 0.000 0.436 390 T N 7.140 121.631 114.554 -0.106 0.000 2.853 390 T HA 0.368 4.718 4.350 0.001 0.000 0.317 390 T C -2.531 172.136 174.700 -0.054 0.000 1.059 390 T CA -1.415 60.638 62.100 -0.079 0.000 0.954 390 T CB 0.682 69.501 68.868 -0.083 0.000 0.994 390 T HN 0.170 nan 8.240 nan 0.000 0.479 391 P HA 0.151 nan 4.420 nan 0.000 0.265 391 P C 1.136 178.419 177.300 -0.027 0.000 1.193 391 P CA -0.065 63.028 63.100 -0.011 0.000 0.765 391 P CB 0.532 32.237 31.700 0.009 0.000 0.823 392 G N 1.722 110.509 108.800 -0.021 0.000 2.484 392 G HA2 0.040 4.000 3.960 0.001 0.000 0.218 392 G HA3 0.040 4.000 3.960 0.001 0.000 0.218 392 G C 0.192 175.057 174.900 -0.058 0.000 1.130 392 G CA 0.557 45.628 45.100 -0.049 0.000 0.784 392 G HN 0.674 nan 8.290 nan 0.000 0.543 393 S N -1.888 113.792 115.700 -0.034 0.000 2.615 393 S HA 0.426 4.897 4.470 0.001 0.000 0.269 393 S C 0.298 174.898 174.600 0.001 0.000 1.161 393 S CA -0.161 58.014 58.200 -0.041 0.000 0.817 393 S CB 1.860 65.012 63.200 -0.080 0.000 1.131 393 S HN -0.070 nan 8.310 nan 0.000 0.467 394 E N 0.917 121.129 120.200 0.021 0.000 2.072 394 E HA -0.156 4.195 4.350 0.001 0.000 0.191 394 E C 1.973 178.606 176.600 0.055 0.000 0.985 394 E CA 2.129 58.557 56.400 0.047 0.000 0.801 394 E CB -0.370 29.375 29.700 0.075 0.000 0.750 394 E HN 0.709 nan 8.360 nan 0.000 0.452 395 Q N -0.112 119.711 119.800 0.039 0.000 2.061 395 Q HA -0.171 4.169 4.340 0.001 0.000 0.204 395 Q C 2.230 178.287 176.000 0.095 0.000 0.984 395 Q CA 2.029 57.856 55.803 0.040 0.000 0.846 395 Q CB -0.248 28.454 28.738 -0.060 0.000 0.902 395 Q HN 0.432 nan 8.270 nan 0.000 0.421 396 I N 0.221 120.839 120.570 0.080 0.000 2.252 396 I HA -0.273 3.897 4.170 0.001 0.000 0.245 396 I C 2.802 179.016 176.117 0.161 0.000 1.102 396 I CA 1.112 62.521 61.300 0.182 0.000 1.385 396 I CB -0.312 37.775 38.000 0.145 0.000 1.064 396 I HN 0.243 nan 8.210 nan 0.000 0.414 397 R N 1.076 121.634 120.500 0.096 0.000 2.083 397 R HA -0.221 4.120 4.340 0.001 0.000 0.237 397 R C 2.326 178.676 176.300 0.084 0.000 1.137 397 R CA 1.874 58.020 56.100 0.076 0.000 0.951 397 R CB -0.324 30.004 30.300 0.046 0.000 0.851 397 R HN 0.372 nan 8.270 nan 0.000 0.434 398 A N -0.153 122.718 122.820 0.085 0.000 1.933 398 A HA -0.120 4.200 4.320 0.001 0.000 0.218 398 A C 2.157 179.795 177.584 0.090 0.000 1.175 398 A CA 2.003 54.087 52.037 0.077 0.000 0.628 398 A CB -0.699 18.346 19.000 0.075 0.000 0.814 398 A HN 0.480 nan 8.150 nan 0.000 0.444 399 T N 0.750 115.392 114.554 0.146 0.000 2.812 399 T HA -0.063 4.288 4.350 0.001 0.000 0.264 399 T C 1.823 176.612 174.700 0.148 0.000 1.042 399 T CA 1.435 63.634 62.100 0.165 0.000 1.140 399 T CB -0.516 68.522 68.868 0.284 0.000 0.870 399 T HN 0.708 nan 8.240 nan 0.000 0.445 400 I N -0.033 120.638 120.570 0.168 0.000 2.676 400 I HA 0.098 4.268 4.170 0.001 0.000 0.259 400 I C 2.352 178.466 176.117 -0.005 0.000 1.194 400 I CA 1.266 62.605 61.300 0.065 0.000 1.473 400 I CB -0.309 37.804 38.000 0.189 0.000 1.096 400 I HN 0.016 nan 8.210 nan 0.000 0.443 401 E N 1.973 122.191 120.200 0.031 0.000 2.047 401 E HA -0.207 4.144 4.350 0.001 0.000 0.191 401 E C 2.420 179.010 176.600 -0.016 0.000 0.987 401 E CA 1.238 57.647 56.400 0.014 0.000 0.799 401 E CB -0.285 29.433 29.700 0.029 0.000 0.752 401 E HN 0.342 nan 8.360 nan 0.000 0.449 402 R N 0.471 120.963 120.500 -0.014 0.000 2.073 402 R HA -0.127 4.213 4.340 0.001 0.000 0.234 402 R C 0.483 176.737 176.300 -0.076 0.000 1.134 402 R CA 1.778 57.860 56.100 -0.029 0.000 0.952 402 R CB -0.336 29.957 30.300 -0.012 0.000 0.850 402 R HN 0.163 nan 8.270 nan 0.000 0.433 403 D N -1.017 119.296 120.400 -0.146 0.000 2.319 403 D HA 0.124 4.764 4.640 0.001 0.000 0.230 403 D C 0.866 176.972 176.300 -0.324 0.000 1.094 403 D CA 0.872 54.720 54.000 -0.255 0.000 0.856 403 D CB 0.374 40.962 40.800 -0.354 0.000 0.915 403 D HN 0.553 nan 8.370 nan 0.000 0.517 404 G N 0.431 109.120 108.800 -0.185 0.000 2.159 404 G HA2 -0.375 3.586 3.960 0.001 0.000 0.256 404 G HA3 -0.375 3.586 3.960 0.001 0.000 0.256 404 G C 0.769 175.683 174.900 0.024 0.000 0.977 404 G CA 0.170 45.227 45.100 -0.072 0.000 0.652 404 G HN 0.291 nan 8.290 nan 0.000 0.531 405 Y N 0.000 120.292 120.300 -0.013 0.000 2.337 405 Y HA 0.376 4.926 4.550 0.000 0.000 0.293 405 Y C 2.975 178.871 175.900 -0.008 0.000 1.123 405 Y CA 0.965 59.046 58.100 -0.030 0.000 1.201 405 Y CB -0.979 37.431 38.460 -0.085 0.000 1.011 405 Y HN 0.399 nan 8.280 nan 0.000 0.545 406 A N -0.222 122.682 122.820 0.140 0.000 1.898 406 A HA -0.223 4.097 4.320 0.001 0.000 0.216 406 A C 2.169 179.795 177.584 0.070 0.000 1.181 406 A CA 1.741 53.829 52.037 0.085 0.000 0.620 406 A CB -0.585 18.448 19.000 0.055 0.000 0.819 406 A HN 0.334 nan 8.150 nan 0.000 0.442 407 Q N -0.025 119.813 119.800 0.063 0.000 2.084 407 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 407 Q C 1.938 177.980 176.000 0.069 0.000 0.978 407 Q CA 1.973 57.809 55.803 0.055 0.000 0.844 407 Q CB -0.680 28.082 28.738 0.040 0.000 0.898 407 Q HN 0.361 nan 8.270 nan 0.000 0.426 408 V N 0.275 120.242 119.914 0.088 0.000 2.295 408 V HA -0.269 3.851 4.120 0.001 0.000 0.246 408 V C 2.252 178.412 176.094 0.111 0.000 1.049 408 V CA 1.789 64.144 62.300 0.092 0.000 1.024 408 V CB -0.573 31.311 31.823 0.102 0.000 0.648 408 V HN 0.353 nan 8.190 nan 0.000 0.447 409 L N -0.860 120.439 121.223 0.127 0.000 2.093 409 L HA -0.140 4.200 4.340 0.001 0.000 0.208 409 L C 2.731 179.695 176.870 0.156 0.000 1.085 409 L CA 1.479 56.426 54.840 0.178 0.000 0.755 409 L CB -0.565 41.562 42.059 0.114 0.000 0.904 409 L HN 0.207 nan 8.230 nan 0.000 0.435 410 R N -0.016 120.540 120.500 0.092 0.000 2.066 410 R HA -0.146 4.194 4.340 0.001 0.000 0.232 410 R C 1.944 178.297 176.300 0.087 0.000 1.131 410 R CA 1.540 57.686 56.100 0.076 0.000 0.955 410 R CB -0.296 30.035 30.300 0.051 0.000 0.851 410 R HN 0.311 nan 8.270 nan 0.000 0.432 411 D N 0.083 120.530 120.400 0.078 0.000 2.178 411 D HA -0.125 4.516 4.640 0.001 0.000 0.201 411 D C 1.752 178.097 176.300 0.075 0.000 0.980 411 D CA 1.329 55.368 54.000 0.065 0.000 0.842 411 D CB -0.059 40.772 40.800 0.052 0.000 0.948 411 D HN 0.187 nan 8.370 nan 0.000 0.472 412 V N -2.821 117.154 119.914 0.101 0.000 3.444 412 V HA 0.325 4.445 4.120 0.001 0.000 0.271 412 V C 1.495 177.652 176.094 0.106 0.000 1.188 412 V CA 0.772 63.122 62.300 0.083 0.000 1.168 412 V CB -0.448 31.405 31.823 0.049 0.000 0.810 412 V HN 0.243 nan 8.190 nan 0.000 0.500 413 G N -1.025 107.862 108.800 0.146 0.000 2.148 413 G HA2 -0.024 3.937 3.960 0.001 0.000 0.157 413 G HA3 -0.024 3.937 3.960 0.001 0.000 0.157 413 G C 0.349 175.385 174.900 0.225 0.000 1.012 413 G CA -0.345 44.844 45.100 0.148 0.000 0.677 413 G HN 1.224 nan 8.290 nan 0.000 0.506 414 G N -0.458 108.506 108.800 0.274 0.000 2.448 414 G HA2 0.658 4.618 3.960 0.001 0.000 0.285 414 G HA3 0.658 4.618 3.960 0.001 0.000 0.285 414 G C -0.468 174.434 174.900 0.003 0.000 1.176 414 G CA -0.409 44.773 45.100 0.138 0.000 0.852 414 G HN 0.918 nan 8.290 nan 0.000 0.530 415 I N 1.578 122.107 120.570 -0.069 0.000 2.378 415 I HA 0.437 4.607 4.170 0.001 0.000 0.291 415 I C -0.285 175.771 176.117 -0.101 0.000 0.992 415 I CA -0.897 60.374 61.300 -0.048 0.000 1.154 415 I CB 1.944 39.939 38.000 -0.009 0.000 1.315 415 I HN 0.212 nan 8.210 nan 0.000 0.448 416 V N 8.290 128.163 119.914 -0.069 0.000 2.432 416 V HA 0.332 4.452 4.120 0.001 0.000 0.271 416 V C 0.455 176.516 176.094 -0.056 0.000 1.046 416 V CA -0.479 61.776 62.300 -0.074 0.000 0.945 416 V CB 0.705 32.503 31.823 -0.042 0.000 0.992 416 V HN 0.581 nan 8.190 nan 0.000 0.471 417 L N 3.590 124.769 121.223 -0.073 0.000 2.431 417 L HA 0.706 5.047 4.340 0.001 0.000 0.260 417 L C 0.959 177.802 176.870 -0.045 0.000 1.098 417 L CA -0.595 54.209 54.840 -0.060 0.000 0.800 417 L CB 0.910 42.914 42.059 -0.093 0.000 1.210 417 L HN 0.712 nan 8.230 nan 0.000 0.465 418 A N 0.674 123.475 122.820 -0.033 0.000 2.429 418 A HA 0.089 4.409 4.320 0.001 0.000 0.242 418 A C -0.000 177.561 177.584 -0.038 0.000 1.088 418 A CA -0.362 51.662 52.037 -0.023 0.000 0.784 418 A CB -0.134 18.861 19.000 -0.009 0.000 1.038 418 A HN 0.772 nan 8.150 nan 0.000 0.501 419 N N 0.958 119.640 118.700 -0.030 0.000 2.819 419 N HA 0.444 5.184 4.740 0.001 0.000 0.284 419 N C -0.302 175.174 175.510 -0.057 0.000 1.196 419 N CA 0.876 53.901 53.050 -0.041 0.000 1.114 419 N CB 0.118 38.591 38.487 -0.023 0.000 1.437 419 N HN 0.815 nan 8.380 nan 0.000 0.518 420 A N -0.420 122.350 122.820 -0.083 0.000 2.599 420 A HA 0.353 4.673 4.320 0.001 0.000 0.290 420 A C 0.841 178.323 177.584 -0.170 0.000 1.101 420 A CA -0.715 51.260 52.037 -0.104 0.000 0.674 420 A CB 0.225 19.188 19.000 -0.062 0.000 1.277 420 A HN 0.432 nan 8.150 nan 0.000 0.419 421 C N 0.123 119.276 119.300 -0.244 0.000 2.398 421 C HA 0.268 4.728 4.460 0.001 0.000 0.276 421 C C 2.485 177.306 174.990 -0.282 0.000 1.222 421 C CA 1.564 60.378 59.018 -0.341 0.000 1.746 421 C CB -1.718 25.698 27.740 -0.540 0.000 2.039 421 C HN 2.190 nan 8.230 nan 0.000 0.470 422 G N 1.155 109.843 108.800 -0.187 0.000 2.660 422 G HA2 -0.324 3.637 3.960 0.001 0.000 0.321 422 G HA3 -0.324 3.637 3.960 0.001 0.000 0.321 422 G C -1.269 173.560 174.900 -0.120 0.000 1.246 422 G CA 0.766 45.791 45.100 -0.126 0.000 1.000 422 G HN 0.315 nan 8.290 nan 0.000 0.550 423 P HA 0.021 nan 4.420 nan 0.000 0.222 423 P C 2.083 179.375 177.300 -0.014 0.000 1.147 423 P CA 1.550 64.587 63.100 -0.105 0.000 0.790 423 P CB -0.184 31.202 31.700 -0.523 0.000 0.780 424 C N -0.786 118.331 119.300 -0.304 0.000 2.419 424 C HA -0.081 4.379 4.460 0.001 0.000 0.281 424 C C 1.639 176.540 174.990 -0.149 0.000 1.336 424 C CA 0.756 59.514 59.018 -0.433 0.000 1.770 424 C CB -1.641 25.593 27.740 -0.843 0.000 1.929 424 C HN 0.139 nan 8.230 nan 0.000 0.509 425 I N -0.882 119.636 120.570 -0.086 0.000 3.762 425 I HA 0.434 4.604 4.170 0.001 0.000 0.333 425 I C 1.245 177.410 176.117 0.080 0.000 1.566 425 I CA 0.700 62.010 61.300 0.016 0.000 1.129 425 I CB -0.491 37.532 38.000 0.038 0.000 1.218 425 I HN 0.164 nan 8.210 nan 0.000 0.456 426 G N 0.834 109.708 108.800 0.123 0.000 2.143 426 G HA2 -0.239 3.721 3.960 0.001 0.000 0.248 426 G HA3 -0.239 3.721 3.960 0.001 0.000 0.248 426 G C 0.285 175.289 174.900 0.175 0.000 0.991 426 G CA -0.252 44.960 45.100 0.187 0.000 0.689 426 G HN 0.433 nan 8.290 nan 0.000 0.522 427 Q N -0.829 119.049 119.800 0.131 0.000 2.835 427 Q HA 0.361 4.701 4.340 0.001 0.000 0.235 427 Q C -0.790 175.328 176.000 0.196 0.000 1.313 427 Q CA -0.270 55.601 55.803 0.114 0.000 1.053 427 Q CB 0.471 29.236 28.738 0.045 0.000 1.443 427 Q HN 0.482 nan 8.270 nan 0.000 0.576 428 W N 2.392 123.697 121.300 0.010 0.000 3.036 428 W HA 0.197 4.858 4.660 0.000 0.000 0.337 428 W C -1.358 175.169 176.519 0.014 0.000 1.055 428 W CA -1.538 55.818 57.345 0.017 0.000 1.248 428 W CB 1.157 30.637 29.460 0.034 0.000 1.335 428 W HN 0.180 nan 8.180 nan 0.000 0.446 429 D N 4.545 125.087 120.400 0.238 0.000 2.517 429 D HA 0.113 4.753 4.640 0.001 0.000 0.220 429 D C -0.043 176.183 176.300 -0.124 0.000 1.158 429 D CA -0.098 53.920 54.000 0.031 0.000 0.992 429 D CB 0.127 40.959 40.800 0.054 0.000 1.058 429 D HN 0.290 nan 8.370 nan 0.000 0.516 430 R N 2.279 122.510 120.500 -0.447 0.000 2.248 430 R HA 0.217 4.558 4.340 0.001 0.000 0.328 430 R C 0.478 176.574 176.300 -0.339 0.000 1.067 430 R CA -0.031 55.645 56.100 -0.707 0.000 0.924 430 R CB 0.525 30.032 30.300 -1.322 0.000 1.013 430 R HN 0.002 nan 8.270 nan 0.000 0.454 431 K N 2.962 123.241 120.400 -0.201 0.000 2.440 431 K HA 0.006 4.326 4.320 0.001 0.000 0.207 431 K C 0.137 176.689 176.600 -0.081 0.000 1.112 431 K CA 0.340 56.560 56.287 -0.112 0.000 1.036 431 K CB 0.874 33.339 32.500 -0.058 0.000 0.935 431 K HN 0.784 nan 8.250 nan 0.000 0.564 432 D N 1.267 121.617 120.400 -0.084 0.000 2.348 432 D HA -0.072 4.568 4.640 0.001 0.000 0.216 432 D C 0.727 177.001 176.300 -0.044 0.000 0.970 432 D CA 0.352 54.325 54.000 -0.044 0.000 0.889 432 D CB -0.110 40.681 40.800 -0.015 0.000 0.912 432 D HN 0.177 nan 8.370 nan 0.000 0.524 433 I N -2.236 118.292 120.570 -0.069 0.000 2.934 433 I HA 0.414 4.585 4.170 0.001 0.000 0.306 433 I C -0.265 175.824 176.117 -0.048 0.000 1.110 433 I CA -1.602 59.671 61.300 -0.046 0.000 1.019 433 I CB 1.919 39.893 38.000 -0.043 0.000 1.227 433 I HN -0.225 nan 8.210 nan 0.000 0.434 434 K N 1.690 122.075 120.400 -0.025 0.000 2.127 434 K HA 0.555 4.876 4.320 0.001 0.000 0.240 434 K C -0.380 176.209 176.600 -0.017 0.000 1.024 434 K CA -0.890 55.384 56.287 -0.022 0.000 0.918 434 K CB 0.742 33.237 32.500 -0.008 0.000 1.108 434 K HN 0.501 nan 8.250 nan 0.000 0.485 435 K N -0.488 119.905 120.400 -0.012 0.000 2.295 435 K HA 0.203 4.523 4.320 0.001 0.000 0.270 435 K C 0.681 177.292 176.600 0.019 0.000 1.011 435 K CA 1.439 57.726 56.287 0.001 0.000 0.953 435 K CB 0.472 32.975 32.500 0.005 0.000 0.956 435 K HN 0.842 nan 8.250 nan 0.000 0.477 436 G N 1.832 110.653 108.800 0.035 0.000 2.179 436 G HA2 -0.310 3.650 3.960 0.001 0.000 0.260 436 G HA3 -0.310 3.650 3.960 0.001 0.000 0.260 436 G C -0.062 174.871 174.900 0.055 0.000 0.977 436 G CA 0.450 45.580 45.100 0.049 0.000 0.641 436 G HN 0.625 nan 8.290 nan 0.000 0.533 437 E N 0.798 121.024 120.200 0.044 0.000 2.259 437 E HA 0.407 4.757 4.350 0.001 0.000 0.281 437 E C 0.480 177.121 176.600 0.069 0.000 1.037 437 E CA -0.653 55.772 56.400 0.043 0.000 0.854 437 E CB 0.366 30.078 29.700 0.021 0.000 1.051 437 E HN 0.307 nan 8.360 nan 0.000 0.409 438 K N 4.717 125.163 120.400 0.077 0.000 2.322 438 K HA 0.090 4.410 4.320 0.001 0.000 0.283 438 K C -0.689 175.929 176.600 0.029 0.000 1.042 438 K CA -0.162 56.182 56.287 0.095 0.000 0.958 438 K CB 0.363 32.919 32.500 0.093 0.000 0.984 438 K HN 0.680 nan 8.250 nan 0.000 0.473 439 N N 1.490 120.205 118.700 0.025 0.000 2.961 439 N HA 0.143 4.884 4.740 0.001 0.000 0.245 439 N C -1.720 173.817 175.510 0.045 0.000 1.404 439 N CA -0.745 52.313 53.050 0.013 0.000 0.880 439 N CB 1.777 40.288 38.487 0.040 0.000 1.461 439 N HN 0.313 nan 8.380 nan 0.000 0.510 440 T N 1.179 115.777 114.554 0.074 0.000 2.807 440 T HA 0.620 4.970 4.350 0.001 0.000 0.279 440 T C -0.069 174.724 174.700 0.156 0.000 0.993 440 T CA -0.651 61.550 62.100 0.168 0.000 0.970 440 T CB 0.476 69.456 68.868 0.187 0.000 0.950 440 T HN 0.507 nan 8.240 nan 0.000 0.441 441 I N 0.938 121.621 120.570 0.188 0.000 2.608 441 I HA 0.901 5.072 4.170 0.001 0.000 0.295 441 I C -0.515 175.693 176.117 0.152 0.000 1.049 441 I CA -1.443 59.950 61.300 0.155 0.000 1.063 441 I CB 2.031 40.139 38.000 0.182 0.000 1.248 441 I HN 0.404 nan 8.210 nan 0.000 0.424 442 V N 2.008 121.972 119.914 0.084 0.000 2.604 442 V HA 0.898 5.019 4.120 0.001 0.000 0.305 442 V C -0.067 175.982 176.094 -0.075 0.000 1.043 442 V CA 0.105 62.441 62.300 0.059 0.000 0.888 442 V CB 1.383 33.239 31.823 0.055 0.000 0.995 442 V HN 1.046 nan 8.190 nan 0.000 0.429 443 T N 0.767 115.225 114.554 -0.161 0.000 2.916 443 T HA 0.584 4.934 4.350 0.001 0.000 0.292 443 T C 0.384 174.930 174.700 -0.257 0.000 1.055 443 T CA 0.031 61.878 62.100 -0.421 0.000 1.009 443 T CB 1.682 70.052 68.868 -0.830 0.000 1.118 443 T HN 1.601 nan 8.240 nan 0.000 0.497 444 S N 0.960 116.517 115.700 -0.238 0.000 2.596 444 S HA 0.312 4.783 4.470 0.001 0.000 0.248 444 S C -0.117 174.545 174.600 0.104 0.000 1.162 444 S CA -0.716 57.463 58.200 -0.036 0.000 1.185 444 S CB -0.978 62.229 63.200 0.012 0.000 0.833 444 S HN 0.613 nan 8.310 nan 0.000 0.472 445 Y N 3.048 123.299 120.300 -0.082 0.000 2.896 445 Y HA 0.409 4.960 4.550 0.001 0.000 0.444 445 Y C 1.714 177.529 175.900 -0.141 0.000 1.328 445 Y CA -0.965 57.060 58.100 -0.125 0.000 1.741 445 Y CB -0.343 38.038 38.460 -0.132 0.000 1.633 445 Y HN 0.507 nan 8.280 nan 0.000 0.748 446 N N -1.194 117.508 118.700 0.003 0.000 2.575 446 N HA 0.133 4.873 4.740 0.001 0.000 0.258 446 N C -0.396 175.038 175.510 -0.128 0.000 1.019 446 N CA -0.181 52.812 53.050 -0.095 0.000 0.909 446 N CB 0.339 38.687 38.487 -0.233 0.000 1.728 446 N HN 0.155 nan 8.380 nan 0.000 0.604 447 R N 0.835 121.227 120.500 -0.179 0.000 2.457 447 R HA 0.401 4.741 4.340 0.001 0.000 0.284 447 R C -0.533 175.580 176.300 -0.311 0.000 1.024 447 R CA -0.210 55.653 56.100 -0.395 0.000 1.025 447 R CB 0.556 30.529 30.300 -0.545 0.000 1.063 447 R HN 0.473 nan 8.270 nan 0.000 0.493 448 N N 1.649 120.112 118.700 -0.394 0.000 2.547 448 N HA 0.051 4.791 4.740 0.001 0.000 0.285 448 N C -1.111 174.323 175.510 -0.126 0.000 1.600 448 N CA -0.321 52.590 53.050 -0.231 0.000 0.872 448 N CB 0.185 38.519 38.487 -0.256 0.000 1.412 448 N HN 0.166 nan 8.380 nan 0.000 0.489 449 F N 1.140 121.088 119.950 -0.003 0.000 2.450 449 F HA 0.319 4.846 4.527 0.001 0.000 0.339 449 F C 1.471 177.311 175.800 0.066 0.000 1.146 449 F CA -0.653 57.377 58.000 0.051 0.000 1.267 449 F CB 0.070 39.114 39.000 0.074 0.000 1.178 449 F HN -0.159 nan 8.300 nan 0.000 0.585 450 T N 2.333 117.111 114.554 0.373 0.000 2.765 450 T HA 0.283 4.634 4.350 0.001 0.000 0.275 450 T C 1.060 175.847 174.700 0.145 0.000 1.007 450 T CA 1.419 63.689 62.100 0.283 0.000 1.175 450 T CB -0.516 68.485 68.868 0.220 0.000 0.993 450 T HN 1.084 nan 8.240 nan 0.000 0.510 451 G N 3.365 112.252 108.800 0.144 0.000 2.153 451 G HA2 -0.328 3.632 3.960 0.001 0.000 0.252 451 G HA3 -0.328 3.632 3.960 0.001 0.000 0.252 451 G C 0.941 175.911 174.900 0.117 0.000 0.994 451 G CA 0.637 45.803 45.100 0.109 0.000 0.698 451 G HN 0.714 nan 8.290 nan 0.000 0.521 452 R N -0.131 120.451 120.500 0.136 0.000 2.140 452 R HA 0.075 4.416 4.340 0.001 0.000 0.213 452 R C 2.204 178.601 176.300 0.161 0.000 1.059 452 R CA 1.369 57.555 56.100 0.144 0.000 1.000 452 R CB -0.195 30.194 30.300 0.149 0.000 0.910 452 R HN 0.538 nan 8.270 nan 0.000 0.455 453 N N 0.143 118.958 118.700 0.192 0.000 2.395 453 N HA -0.087 4.653 4.740 0.001 0.000 0.175 453 N C -0.125 175.619 175.510 0.391 0.000 1.029 453 N CA 1.165 54.400 53.050 0.308 0.000 0.897 453 N CB 0.431 39.137 38.487 0.365 0.000 0.991 453 N HN 0.302 nan 8.380 nan 0.000 0.441 454 D N -1.626 118.901 120.400 0.210 0.000 2.615 454 D HA 0.253 4.893 4.640 0.001 0.000 0.274 454 D C 0.428 176.745 176.300 0.028 0.000 1.512 454 D CA 0.025 54.064 54.000 0.065 0.000 0.803 454 D CB -0.439 40.261 40.800 -0.166 0.000 1.182 454 D HN 0.006 nan 8.370 nan 0.000 0.473 455 A N 0.233 123.100 122.820 0.079 0.000 2.910 455 A HA -0.317 4.003 4.320 0.001 0.000 0.267 455 A C 0.385 178.002 177.584 0.056 0.000 1.310 455 A CA 1.224 53.305 52.037 0.072 0.000 0.934 455 A CB -2.589 16.451 19.000 0.067 0.000 1.057 455 A HN 0.496 nan 8.150 nan 0.000 0.742 456 N N -0.122 118.609 118.700 0.051 0.000 2.439 456 N HA 0.436 5.177 4.740 0.001 0.000 0.249 456 N C -0.844 174.729 175.510 0.105 0.000 1.003 456 N CA -1.886 51.199 53.050 0.058 0.000 0.942 456 N CB 1.120 39.627 38.487 0.032 0.000 1.115 456 N HN 0.170 nan 8.380 nan 0.000 0.505 457 P HA -0.131 nan 4.420 nan 0.000 0.221 457 P C 0.135 177.570 177.300 0.224 0.000 1.145 457 P CA 1.146 64.332 63.100 0.143 0.000 0.795 457 P CB 0.540 32.289 31.700 0.081 0.000 0.775 458 E N -0.513 119.815 120.200 0.213 0.000 2.444 458 E HA 0.090 4.440 4.350 0.001 0.000 0.191 458 E C 0.099 176.952 176.600 0.422 0.000 1.041 458 E CA 0.198 56.789 56.400 0.317 0.000 0.883 458 E CB -0.045 29.790 29.700 0.223 0.000 1.024 458 E HN 0.193 nan 8.360 nan 0.000 0.470 459 T N 1.155 115.883 114.554 0.290 0.000 2.817 459 T HA 0.192 4.543 4.350 0.001 0.000 0.293 459 T C -0.377 174.393 174.700 0.117 0.000 0.964 459 T CA -0.265 61.971 62.100 0.227 0.000 1.085 459 T CB 0.436 69.373 68.868 0.114 0.000 0.921 459 T HN 0.026 nan 8.240 nan 0.000 0.502 460 H N 1.614 120.599 119.070 -0.141 0.000 2.641 460 H HA 0.573 5.129 4.556 0.001 0.000 0.295 460 H C 0.009 175.054 175.328 -0.473 0.000 1.070 460 H CA -0.644 55.102 56.048 -0.503 0.000 1.257 460 H CB 0.380 30.043 29.762 -0.166 0.000 1.393 460 H HN 0.720 nan 8.280 nan 0.000 0.464 461 A N 4.116 126.576 122.820 -0.599 0.000 2.292 461 A HA 0.601 4.921 4.320 0.001 0.000 0.319 461 A C -0.999 176.241 177.584 -0.574 0.000 1.206 461 A CA -0.542 51.288 52.037 -0.347 0.000 0.835 461 A CB 0.180 19.053 19.000 -0.212 0.000 1.164 461 A HN 0.489 nan 8.150 nan 0.000 0.505 462 F N 1.846 121.701 119.950 -0.157 0.000 2.458 462 F HA 0.497 5.024 4.527 0.001 0.000 0.336 462 F C 0.425 176.165 175.800 -0.100 0.000 1.114 462 F CA -0.673 57.252 58.000 -0.125 0.000 0.987 462 F CB 2.262 41.216 39.000 -0.077 0.000 1.130 462 F HN 0.483 nan 8.300 nan 0.000 0.458 463 V N 0.261 120.199 119.914 0.040 0.000 2.472 463 V HA 0.900 5.020 4.120 0.001 0.000 0.290 463 V C -0.359 175.768 176.094 0.054 0.000 1.037 463 V CA -0.076 62.230 62.300 0.011 0.000 0.908 463 V CB 1.186 32.994 31.823 -0.025 0.000 0.985 463 V HN 0.880 nan 8.190 nan 0.000 0.454 464 T N 2.386 116.964 114.554 0.039 0.000 2.618 464 T HA 0.563 4.913 4.350 0.001 0.000 0.293 464 T C 0.003 174.728 174.700 0.041 0.000 1.093 464 T CA 0.220 62.353 62.100 0.056 0.000 1.061 464 T CB 1.560 70.467 68.868 0.064 0.000 1.498 464 T HN 1.516 nan 8.240 nan 0.000 0.494 465 S N 1.633 117.367 115.700 0.056 0.000 2.617 465 S HA 0.418 4.888 4.470 0.001 0.000 0.269 465 S C -1.667 172.968 174.600 0.060 0.000 1.292 465 S CA -0.877 57.355 58.200 0.055 0.000 1.010 465 S CB 1.063 64.308 63.200 0.074 0.000 0.944 465 S HN 0.646 nan 8.310 nan 0.000 0.536 466 P HA -0.183 nan 4.420 nan 0.000 0.217 466 P C 1.344 178.704 177.300 0.100 0.000 1.150 466 P CA 1.332 64.471 63.100 0.065 0.000 0.832 466 P CB -0.046 31.677 31.700 0.039 0.000 0.787 467 E N 0.015 120.278 120.200 0.105 0.000 2.106 467 E HA -0.132 4.219 4.350 0.001 0.000 0.192 467 E C 2.102 178.864 176.600 0.270 0.000 0.984 467 E CA 0.974 57.476 56.400 0.169 0.000 0.806 467 E CB -1.034 28.748 29.700 0.137 0.000 0.750 467 E HN 0.201 nan 8.360 nan 0.000 0.458 468 I N 1.616 122.313 120.570 0.212 0.000 2.286 468 I HA -0.161 4.009 4.170 0.001 0.000 0.245 468 I C 2.683 178.841 176.117 0.068 0.000 1.104 468 I CA 0.542 61.914 61.300 0.119 0.000 1.397 468 I CB -0.899 37.138 38.000 0.062 0.000 1.072 468 I HN -0.031 nan 8.210 nan 0.000 0.417 469 V N 1.045 121.001 119.914 0.070 0.000 2.324 469 V HA -0.313 3.808 4.120 0.001 0.000 0.250 469 V C 2.570 178.686 176.094 0.037 0.000 1.060 469 V CA 2.431 64.766 62.300 0.058 0.000 1.042 469 V CB -1.207 30.665 31.823 0.083 0.000 0.650 469 V HN 0.442 nan 8.190 nan 0.000 0.450 470 T N 0.286 114.878 114.554 0.062 0.000 2.746 470 T HA -0.157 4.194 4.350 0.001 0.000 0.267 470 T C 2.059 176.686 174.700 -0.123 0.000 1.039 470 T CA 1.614 63.651 62.100 -0.105 0.000 1.142 470 T CB -0.455 68.430 68.868 0.028 0.000 0.866 470 T HN 0.587 nan 8.240 nan 0.000 0.444 471 A N 1.308 124.145 122.820 0.027 0.000 1.902 471 A HA 0.055 4.375 4.320 0.001 0.000 0.217 471 A C 2.272 179.852 177.584 -0.007 0.000 1.181 471 A CA 1.121 53.193 52.037 0.058 0.000 0.623 471 A CB -0.808 18.256 19.000 0.107 0.000 0.818 471 A HN 0.483 nan 8.150 nan 0.000 0.443 472 L N -0.989 120.235 121.223 0.002 0.000 2.291 472 L HA -0.100 4.240 4.340 0.001 0.000 0.214 472 L C 2.897 179.697 176.870 -0.117 0.000 1.120 472 L CA 0.709 55.536 54.840 -0.021 0.000 0.799 472 L CB -0.446 41.608 42.059 -0.009 0.000 0.925 472 L HN 0.457 nan 8.230 nan 0.000 0.446 473 A N 0.288 123.007 122.820 -0.168 0.000 1.930 473 A HA -0.069 4.251 4.320 0.001 0.000 0.215 473 A C 2.182 179.616 177.584 -0.251 0.000 1.176 473 A CA 0.892 52.799 52.037 -0.216 0.000 0.632 473 A CB -0.342 18.422 19.000 -0.394 0.000 0.819 473 A HN 0.292 nan 8.150 nan 0.000 0.445 474 I N -0.238 120.160 120.570 -0.287 0.000 2.202 474 I HA -0.257 3.913 4.170 0.001 0.000 0.242 474 I C 2.898 178.835 176.117 -0.300 0.000 1.091 474 I CA 1.167 62.313 61.300 -0.256 0.000 1.368 474 I CB -0.195 37.674 38.000 -0.219 0.000 1.058 474 I HN 0.347 nan 8.210 nan 0.000 0.410 475 A N -0.034 122.528 122.820 -0.430 0.000 1.970 475 A HA 0.115 4.436 4.320 0.001 0.000 0.216 475 A C 2.066 179.481 177.584 -0.283 0.000 1.170 475 A CA 1.255 52.969 52.037 -0.537 0.000 0.645 475 A CB -0.768 17.663 19.000 -0.948 0.000 0.816 475 A HN 0.577 nan 8.150 nan 0.000 0.447 476 G N -2.295 106.390 108.800 -0.191 0.000 2.179 476 G HA2 -0.174 3.786 3.960 0.001 0.000 0.260 476 G HA3 -0.174 3.786 3.960 0.001 0.000 0.260 476 G C 0.395 175.247 174.900 -0.080 0.000 0.977 476 G CA 1.018 46.051 45.100 -0.110 0.000 0.641 476 G HN 1.399 nan 8.290 nan 0.000 0.533 477 T N -1.003 113.501 114.554 -0.083 0.000 2.923 477 T HA 0.558 4.909 4.350 0.001 0.000 0.311 477 T C 1.396 176.080 174.700 -0.026 0.000 1.183 477 T CA -0.241 61.831 62.100 -0.048 0.000 1.020 477 T CB 1.115 69.960 68.868 -0.038 0.000 1.165 477 T HN 0.216 nan 8.240 nan 0.000 0.482 478 L N 2.267 123.453 121.223 -0.061 0.000 2.191 478 L HA 0.102 4.442 4.340 0.001 0.000 0.212 478 L C 1.492 178.328 176.870 -0.057 0.000 1.103 478 L CA 1.059 55.839 54.840 -0.099 0.000 0.769 478 L CB -0.190 41.763 42.059 -0.177 0.000 0.908 478 L HN 0.537 nan 8.230 nan 0.000 0.438 479 K N 0.714 121.100 120.400 -0.023 0.000 2.737 479 K HA 0.148 4.468 4.320 0.001 0.000 0.251 479 K C -0.925 175.718 176.600 0.071 0.000 1.280 479 K CA -0.040 56.240 56.287 -0.012 0.000 1.219 479 K CB -0.228 32.263 32.500 -0.014 0.000 1.587 479 K HN -0.073 nan 8.250 nan 0.000 0.279 480 F N 1.454 121.319 119.950 -0.141 0.000 2.605 480 F HA 0.255 4.782 4.527 0.000 0.000 0.320 480 F C -1.629 174.051 175.800 -0.200 0.000 1.159 480 F CA -1.382 56.520 58.000 -0.163 0.000 0.999 480 F CB 1.411 40.310 39.000 -0.168 0.000 1.258 480 F HN 0.040 nan 8.300 nan 0.000 0.464 481 N N 7.693 125.814 118.700 -0.966 0.000 2.479 481 N HA 0.476 5.216 4.740 0.001 0.000 0.261 481 N C -2.512 172.277 175.510 -1.202 0.000 0.979 481 N CA -2.606 49.949 53.050 -0.825 0.000 0.930 481 N CB 2.479 40.669 38.487 -0.494 0.000 1.172 481 N HN 0.245 nan 8.380 nan 0.000 0.499 482 P HA -0.064 nan 4.420 nan 0.000 0.221 482 P C 0.463 177.216 177.300 -0.912 0.000 1.145 482 P CA 1.192 63.623 63.100 -1.116 0.000 0.795 482 P CB 0.497 31.447 31.700 -1.250 0.000 0.775 483 E N -1.234 118.475 120.200 -0.818 0.000 2.158 483 E HA -0.074 4.276 4.350 0.001 0.000 0.191 483 E C 1.585 177.977 176.600 -0.347 0.000 0.982 483 E CA 1.703 57.813 56.400 -0.483 0.000 0.823 483 E CB -0.205 29.289 29.700 -0.344 0.000 0.766 483 E HN 0.408 nan 8.360 nan 0.000 0.468 484 T N -1.391 112.924 114.554 -0.398 0.000 3.056 484 T HA 0.033 4.383 4.350 0.001 0.000 0.241 484 T C 0.619 175.139 174.700 -0.301 0.000 1.006 484 T CA -0.268 61.663 62.100 -0.282 0.000 1.115 484 T CB 0.002 68.746 68.868 -0.207 0.000 0.939 484 T HN -0.167 nan 8.240 nan 0.000 0.462 485 D N 1.099 121.256 120.400 -0.405 0.000 2.344 485 D HA 0.458 5.099 4.640 0.001 0.000 0.244 485 D C -0.954 175.200 176.300 -0.243 0.000 1.134 485 D CA -0.433 53.422 54.000 -0.241 0.000 0.930 485 D CB 0.400 41.030 40.800 -0.283 0.000 1.175 485 D HN 0.205 nan 8.370 nan 0.000 0.437 486 F N 0.369 120.312 119.950 -0.012 0.000 2.421 486 F HA 0.303 4.830 4.527 0.000 0.000 0.337 486 F C 0.108 175.841 175.800 -0.111 0.000 1.105 486 F CA -0.848 57.109 58.000 -0.070 0.000 1.049 486 F CB 0.968 39.931 39.000 -0.062 0.000 1.139 486 F HN -0.032 nan 8.300 nan 0.000 0.479 487 L N 1.593 122.671 121.223 -0.242 0.000 2.331 487 L HA 0.618 4.959 4.340 0.001 0.000 0.268 487 L C -0.186 176.612 176.870 -0.119 0.000 1.015 487 L CA -0.536 54.072 54.840 -0.388 0.000 0.807 487 L CB 2.037 43.541 42.059 -0.924 0.000 1.293 487 L HN 0.508 nan 8.230 nan 0.000 0.451 488 T N 0.789 115.380 114.554 0.062 0.000 2.809 488 T HA 0.630 4.980 4.350 0.001 0.000 0.284 488 T C 0.294 175.182 174.700 0.314 0.000 0.992 488 T CA -0.589 61.634 62.100 0.204 0.000 0.957 488 T CB 1.386 70.314 68.868 0.098 0.000 0.942 488 T HN 0.754 nan 8.240 nan 0.000 0.439 489 G N 1.276 110.304 108.800 0.380 0.000 2.570 489 G HA2 0.224 4.184 3.960 0.001 0.000 0.276 489 G HA3 0.224 4.184 3.960 0.001 0.000 0.276 489 G C 1.005 175.989 174.900 0.141 0.000 1.346 489 G CA -0.433 44.817 45.100 0.249 0.000 1.034 489 G HN 0.745 nan 8.290 nan 0.000 0.512 490 K N -0.368 120.085 120.400 0.089 0.000 2.026 490 K HA -0.139 4.181 4.320 0.001 0.000 0.208 490 K C 1.989 178.614 176.600 0.042 0.000 1.048 490 K CA 1.924 58.241 56.287 0.050 0.000 0.929 490 K CB -0.105 32.408 32.500 0.021 0.000 0.713 490 K HN 0.611 nan 8.250 nan 0.000 0.439 491 D N -1.311 119.114 120.400 0.041 0.000 2.392 491 D HA -0.066 4.575 4.640 0.001 0.000 0.228 491 D C 1.142 177.471 176.300 0.048 0.000 1.003 491 D CA 1.167 55.188 54.000 0.034 0.000 0.917 491 D CB 0.184 40.998 40.800 0.023 0.000 0.890 491 D HN 0.527 nan 8.370 nan 0.000 0.532 492 G N 0.479 109.319 108.800 0.066 0.000 2.241 492 G HA2 -0.295 3.666 3.960 0.001 0.000 0.244 492 G HA3 -0.295 3.666 3.960 0.001 0.000 0.244 492 G C 0.242 175.192 174.900 0.083 0.000 0.998 492 G CA 0.158 45.295 45.100 0.062 0.000 0.621 492 G HN 0.457 nan 8.290 nan 0.000 0.519 493 K N 1.399 121.868 120.400 0.115 0.000 2.298 493 K HA 0.401 4.721 4.320 0.001 0.000 0.280 493 K C 0.336 177.069 176.600 0.222 0.000 1.032 493 K CA -0.456 55.916 56.287 0.143 0.000 0.958 493 K CB 0.638 33.232 32.500 0.157 0.000 0.978 493 K HN 0.005 nan 8.250 nan 0.000 0.472 494 K N 3.171 123.677 120.400 0.177 0.000 2.326 494 K HA 0.203 4.523 4.320 0.001 0.000 0.275 494 K C -0.111 176.773 176.600 0.473 0.000 1.018 494 K CA 0.018 56.457 56.287 0.255 0.000 0.962 494 K CB 0.181 32.678 32.500 -0.004 0.000 0.953 494 K HN 0.489 nan 8.250 nan 0.000 0.475 495 F N -1.285 118.834 119.950 0.281 0.000 2.626 495 F HA 0.578 5.106 4.527 0.000 0.000 0.311 495 F C -0.715 175.031 175.800 -0.091 0.000 1.088 495 F CA -1.216 56.831 58.000 0.079 0.000 0.949 495 F CB 1.554 40.323 39.000 -0.385 0.000 1.322 495 F HN 0.184 nan 8.300 nan 0.000 0.461 496 K N 2.422 122.686 120.400 -0.228 0.000 2.270 496 K HA 0.503 4.823 4.320 0.001 0.000 0.255 496 K C -1.364 175.167 176.600 -0.115 0.000 0.936 496 K CA -0.997 54.995 56.287 -0.491 0.000 0.809 496 K CB 1.618 33.720 32.500 -0.664 0.000 1.131 496 K HN 0.608 nan 8.250 nan 0.000 0.427 497 L N 3.916 125.095 121.223 -0.074 0.000 2.477 497 L HA 0.050 4.390 4.340 0.001 0.000 0.272 497 L C 0.844 177.864 176.870 0.251 0.000 1.157 497 L CA 0.559 55.504 54.840 0.175 0.000 0.889 497 L CB 0.154 42.399 42.059 0.309 0.000 1.158 497 L HN 0.665 nan 8.230 nan 0.000 0.473 498 E N 3.847 124.156 120.200 0.181 0.000 2.366 498 E HA 0.284 4.634 4.350 0.001 0.000 0.266 498 E C -0.657 175.905 176.600 -0.063 0.000 1.051 498 E CA -0.602 55.851 56.400 0.089 0.000 0.884 498 E CB 1.408 31.132 29.700 0.040 0.000 1.006 498 E HN 0.576 nan 8.360 nan 0.000 0.417 499 A N 5.377 128.034 122.820 -0.273 0.000 2.477 499 A HA 0.289 4.609 4.320 0.001 0.000 0.246 499 A C -2.017 175.150 177.584 -0.693 0.000 1.078 499 A CA -1.063 50.385 52.037 -0.982 0.000 0.770 499 A CB -0.284 18.287 19.000 -0.715 0.000 1.011 499 A HN 0.564 nan 8.150 nan 0.000 0.494 500 P HA 0.255 nan 4.420 nan 0.000 0.276 500 P C -1.038 176.075 177.300 -0.312 0.000 1.230 500 P CA 0.075 62.903 63.100 -0.453 0.000 0.776 500 P CB 1.095 32.535 31.700 -0.434 0.000 0.888 501 D N 1.424 121.700 120.400 -0.206 0.000 2.575 501 D HA 0.671 5.311 4.640 0.001 0.000 0.236 501 D C -1.577 174.652 176.300 -0.118 0.000 1.075 501 D CA -0.734 53.180 54.000 -0.143 0.000 0.860 501 D CB 1.715 42.453 40.800 -0.102 0.000 1.475 501 D HN 0.474 nan 8.370 nan 0.000 0.474 502 A N 2.432 125.198 122.820 -0.089 0.000 2.599 502 A HA 0.450 4.770 4.320 0.001 0.000 0.294 502 A C -1.489 176.096 177.584 0.001 0.000 1.055 502 A CA -0.935 51.061 52.037 -0.068 0.000 0.683 502 A CB 1.012 19.912 19.000 -0.167 0.000 1.278 502 A HN 0.531 nan 8.150 nan 0.000 0.412 503 D N 1.348 121.797 120.400 0.081 0.000 2.443 503 D HA 0.198 4.839 4.640 0.001 0.000 0.239 503 D C 1.359 177.776 176.300 0.194 0.000 1.136 503 D CA 0.570 54.657 54.000 0.143 0.000 0.879 503 D CB 0.917 41.851 40.800 0.224 0.000 1.195 503 D HN 0.700 nan 8.370 nan 0.000 0.443 504 E N 1.104 121.396 120.200 0.152 0.000 2.230 504 E HA 0.050 4.400 4.350 0.001 0.000 0.192 504 E C 0.266 177.026 176.600 0.267 0.000 0.987 504 E CA 0.430 56.935 56.400 0.176 0.000 0.841 504 E CB 0.352 30.109 29.700 0.095 0.000 0.783 504 E HN 0.300 nan 8.360 nan 0.000 0.481 505 L N 1.090 122.394 121.223 0.134 0.000 2.376 505 L HA 0.461 4.801 4.340 0.001 0.000 0.258 505 L C -2.554 174.038 176.870 -0.463 0.000 1.013 505 L CA -3.042 51.693 54.840 -0.175 0.000 0.822 505 L CB 2.588 44.581 42.059 -0.111 0.000 1.388 505 L HN -0.125 nan 8.230 nan 0.000 0.413 506 P HA 0.152 nan 4.420 nan 0.000 0.271 506 P C -0.180 176.886 177.300 -0.390 0.000 1.216 506 P CA -0.190 62.440 63.100 -0.784 0.000 0.776 506 P CB 1.131 32.214 31.700 -1.028 0.000 0.881 507 R N 1.745 122.132 120.500 -0.188 0.000 2.066 507 R HA -0.023 4.317 4.340 0.001 0.000 0.232 507 R C 1.366 177.579 176.300 -0.145 0.000 1.131 507 R CA 1.417 57.445 56.100 -0.121 0.000 0.955 507 R CB -0.415 29.851 30.300 -0.056 0.000 0.851 507 R HN 0.617 nan 8.270 nan 0.000 0.432 508 A N 1.067 123.792 122.820 -0.159 0.000 2.250 508 A HA 0.166 4.487 4.320 0.001 0.000 0.283 508 A C -0.071 177.389 177.584 -0.207 0.000 1.206 508 A CA -0.523 51.429 52.037 -0.142 0.000 0.840 508 A CB 0.217 19.152 19.000 -0.108 0.000 1.220 508 A HN 0.036 nan 8.150 nan 0.000 0.505 509 E N -0.878 119.234 120.200 -0.146 0.000 2.397 509 E HA 0.318 4.669 4.350 0.001 0.000 0.254 509 E C -0.799 175.702 176.600 -0.164 0.000 1.231 509 E CA -0.091 56.225 56.400 -0.140 0.000 0.954 509 E CB 0.007 29.682 29.700 -0.042 0.000 1.024 509 E HN 0.370 nan 8.360 nan 0.000 0.481 510 F N 0.828 120.704 119.950 -0.124 0.000 2.450 510 F HA 0.024 4.552 4.527 0.001 0.000 0.339 510 F C 1.288 177.053 175.800 -0.059 0.000 1.146 510 F CA 0.400 58.333 58.000 -0.112 0.000 1.267 510 F CB 0.499 39.435 39.000 -0.108 0.000 1.178 510 F HN 0.095 nan 8.300 nan 0.000 0.585 511 D N 4.525 125.034 120.400 0.181 0.000 2.329 511 D HA 0.170 4.810 4.640 0.001 0.000 0.232 511 D C -1.741 174.627 176.300 0.114 0.000 1.088 511 D CA -2.063 51.999 54.000 0.104 0.000 0.835 511 D CB 1.809 42.652 40.800 0.073 0.000 1.078 511 D HN 0.172 nan 8.370 nan 0.000 0.495 512 P HA 0.010 nan 4.420 nan 0.000 0.230 512 P C 0.882 178.233 177.300 0.084 0.000 1.158 512 P CA 0.710 63.859 63.100 0.082 0.000 0.769 512 P CB 0.309 32.058 31.700 0.081 0.000 0.807 513 G N 0.877 109.721 108.800 0.074 0.000 2.598 513 G HA2 -0.229 3.731 3.960 0.001 0.000 0.244 513 G HA3 -0.229 3.731 3.960 0.001 0.000 0.244 513 G C -0.536 174.402 174.900 0.064 0.000 1.302 513 G CA 0.178 45.318 45.100 0.066 0.000 0.903 513 G HN 0.650 nan 8.290 nan 0.000 0.575 514 Q N 0.641 120.477 119.800 0.059 0.000 2.312 514 Q HA 0.500 4.840 4.340 0.001 0.000 0.236 514 Q C 0.497 176.536 176.000 0.064 0.000 0.965 514 Q CA -0.036 55.798 55.803 0.052 0.000 0.894 514 Q CB 0.800 29.561 28.738 0.039 0.000 1.225 514 Q HN 0.836 nan 8.270 nan 0.000 0.478 515 D N 1.585 122.014 120.400 0.048 0.000 2.479 515 D HA -0.076 4.564 4.640 0.001 0.000 0.257 515 D C -0.192 176.120 176.300 0.019 0.000 1.230 515 D CA 0.614 54.637 54.000 0.039 0.000 0.912 515 D CB 0.524 41.337 40.800 0.022 0.000 1.130 515 D HN 0.803 nan 8.370 nan 0.000 0.515 516 T N -0.195 114.366 114.554 0.011 0.000 3.058 516 T HA 0.030 4.380 4.350 0.001 0.000 0.278 516 T C 0.176 174.762 174.700 -0.189 0.000 0.974 516 T CA -0.540 61.550 62.100 -0.017 0.000 0.893 516 T CB -0.380 68.555 68.868 0.112 0.000 1.138 516 T HN 0.401 nan 8.240 nan 0.000 0.529 517 Y N 2.596 122.560 120.300 -0.560 0.000 2.310 517 Y HA 0.603 5.154 4.550 0.001 0.000 0.326 517 Y C -0.088 175.531 175.900 -0.468 0.000 1.151 517 Y CA -1.330 56.187 58.100 -0.971 0.000 1.195 517 Y CB 1.275 38.829 38.460 -1.509 0.000 1.210 517 Y HN 0.124 nan 8.280 nan 0.000 0.483 518 Q N 5.669 124.797 119.800 -1.121 0.000 2.363 518 Q HA 0.200 4.541 4.340 0.001 0.000 0.265 518 Q C -1.314 174.087 176.000 -0.999 0.000 1.032 518 Q CA -0.606 54.761 55.803 -0.727 0.000 0.746 518 Q CB 0.478 29.059 28.738 -0.261 0.000 1.237 518 Q HN 0.833 nan 8.270 nan 0.000 0.475 519 H N 4.787 123.379 119.070 -0.795 0.000 2.732 519 H HA 0.226 4.783 4.556 0.001 0.000 0.351 519 H C -2.025 173.167 175.328 -0.227 0.000 1.090 519 H CA -1.414 54.383 56.048 -0.418 0.000 1.431 519 H CB 1.127 30.879 29.762 -0.018 0.000 1.447 519 H HN 0.547 nan 8.280 nan 0.000 0.582 520 P HA 0.050 nan 4.420 nan 0.000 0.268 520 P C -2.708 174.480 177.300 -0.186 0.000 1.205 520 P CA -1.323 61.584 63.100 -0.322 0.000 0.771 520 P CB 0.086 31.601 31.700 -0.308 0.000 0.858 521 P HA 0.090 nan 4.420 nan 0.000 0.269 521 P C 0.274 177.533 177.300 -0.068 0.000 1.252 521 P CA 0.045 63.105 63.100 -0.068 0.000 0.780 521 P CB 0.521 32.173 31.700 -0.079 0.000 0.829 522 K N 2.382 122.761 120.400 -0.034 0.000 2.387 522 K HA 0.060 4.380 4.320 0.001 0.000 0.198 522 K C 0.908 177.484 176.600 -0.040 0.000 1.022 522 K CA 0.199 56.459 56.287 -0.045 0.000 1.128 522 K CB 0.346 32.826 32.500 -0.034 0.000 0.853 522 K HN 0.611 nan 8.250 nan 0.000 0.523 523 D N -0.571 119.808 120.400 -0.035 0.000 2.279 523 D HA 0.036 4.676 4.640 0.001 0.000 0.285 523 D C 1.130 177.403 176.300 -0.046 0.000 1.167 523 D CA -0.229 53.751 54.000 -0.033 0.000 1.064 523 D CB -0.328 40.457 40.800 -0.024 0.000 1.108 523 D HN -0.238 nan 8.370 nan 0.000 0.428 524 S N 0.468 116.140 115.700 -0.047 0.000 2.426 524 S HA -0.345 4.125 4.470 0.001 0.000 0.332 524 S C 1.425 175.980 174.600 -0.074 0.000 1.213 524 S CA 3.143 61.309 58.200 -0.057 0.000 1.436 524 S CB -1.290 61.875 63.200 -0.059 0.000 1.351 524 S HN 0.589 nan 8.310 nan 0.000 0.474 525 S N 0.124 115.766 115.700 -0.096 0.000 3.123 525 S HA -0.236 4.235 4.470 0.001 0.000 0.330 525 S C 0.878 175.396 174.600 -0.137 0.000 1.248 525 S CA 0.760 58.883 58.200 -0.128 0.000 1.000 525 S CB -1.824 61.304 63.200 -0.120 0.000 1.049 525 S HN 1.016 nan 8.310 nan 0.000 0.658 526 G N -0.250 108.486 108.800 -0.108 0.000 3.234 526 G HA2 0.274 4.234 3.960 0.001 0.000 0.221 526 G HA3 0.274 4.234 3.960 0.001 0.000 0.221 526 G C 0.225 175.061 174.900 -0.107 0.000 1.229 526 G CA -0.288 44.754 45.100 -0.097 0.000 0.909 526 G HN 0.477 nan 8.290 nan 0.000 0.510 527 Q N 0.234 119.950 119.800 -0.140 0.000 2.395 527 Q HA 0.335 4.676 4.340 0.001 0.000 0.271 527 Q C 0.406 176.329 176.000 -0.128 0.000 1.026 527 Q CA 0.588 56.307 55.803 -0.139 0.000 0.900 527 Q CB 0.665 29.295 28.738 -0.179 0.000 1.266 527 Q HN 0.269 nan 8.270 nan 0.000 0.430 528 R N 0.910 121.357 120.500 -0.088 0.000 2.295 528 R HA 0.416 4.757 4.340 0.001 0.000 0.324 528 R C -1.073 175.203 176.300 -0.041 0.000 0.968 528 R CA -0.622 55.445 56.100 -0.055 0.000 0.837 528 R CB 1.169 31.452 30.300 -0.029 0.000 1.133 528 R HN 0.336 nan 8.270 nan 0.000 0.450 529 V N 2.997 122.902 119.914 -0.015 0.000 2.455 529 V HA 0.054 4.174 4.120 0.001 0.000 0.273 529 V C -0.013 176.141 176.094 0.100 0.000 1.045 529 V CA -0.183 62.140 62.300 0.039 0.000 0.976 529 V CB 1.106 32.979 31.823 0.083 0.000 0.993 529 V HN 0.670 nan 8.190 nan 0.000 0.475 530 D N 4.270 124.741 120.400 0.118 0.000 2.344 530 D HA 0.509 5.150 4.640 0.001 0.000 0.239 530 D C -0.909 175.474 176.300 0.138 0.000 1.064 530 D CA -0.225 53.837 54.000 0.104 0.000 0.829 530 D CB 1.816 42.653 40.800 0.061 0.000 1.129 530 D HN 0.280 nan 8.370 nan 0.000 0.506 531 V N 3.626 123.598 119.914 0.097 0.000 2.376 531 V HA 0.301 4.421 4.120 0.001 0.000 0.287 531 V C 0.253 176.361 176.094 0.024 0.000 1.015 531 V CA -0.940 61.386 62.300 0.043 0.000 0.834 531 V CB 1.198 33.023 31.823 0.005 0.000 1.001 531 V HN 0.688 nan 8.190 nan 0.000 0.428 532 S N 7.537 123.251 115.700 0.023 0.000 2.549 532 S HA 0.190 4.661 4.470 0.001 0.000 0.286 532 S C -0.647 173.965 174.600 0.020 0.000 1.314 532 S CA -0.679 57.535 58.200 0.023 0.000 1.062 532 S CB 0.972 64.188 63.200 0.026 0.000 0.865 532 S HN 0.674 nan 8.310 nan 0.000 0.498 533 P HA -0.008 nan 4.420 nan 0.000 0.226 533 P C 0.830 178.152 177.300 0.037 0.000 1.153 533 P CA 0.905 64.016 63.100 0.018 0.000 0.777 533 P CB -0.377 31.331 31.700 0.013 0.000 0.794 534 T N -4.340 110.239 114.554 0.041 0.000 3.105 534 T HA 0.136 4.486 4.350 0.001 0.000 0.253 534 T C 0.848 175.588 174.700 0.067 0.000 1.047 534 T CA -0.341 61.789 62.100 0.051 0.000 0.944 534 T CB -0.538 68.350 68.868 0.035 0.000 1.016 534 T HN 0.008 nan 8.240 nan 0.000 0.544 535 S N 1.084 116.832 115.700 0.078 0.000 2.572 535 S HA 0.085 4.556 4.470 0.001 0.000 0.279 535 S C 1.108 175.798 174.600 0.150 0.000 1.341 535 S CA -0.431 57.824 58.200 0.091 0.000 1.043 535 S CB 0.681 63.925 63.200 0.073 0.000 0.887 535 S HN 0.285 nan 8.310 nan 0.000 0.516 536 Q N 2.728 122.577 119.800 0.082 0.000 2.356 536 Q HA 0.227 4.567 4.340 0.001 0.000 0.205 536 Q C 1.512 177.569 176.000 0.095 0.000 0.901 536 Q CA 0.505 56.296 55.803 -0.020 0.000 0.938 536 Q CB 0.197 28.955 28.738 0.033 0.000 1.081 536 Q HN 0.706 nan 8.270 nan 0.000 0.517 537 R N -0.887 119.719 120.500 0.178 0.000 2.279 537 R HA 0.321 4.661 4.340 0.001 0.000 0.195 537 R C 0.186 176.592 176.300 0.176 0.000 0.905 537 R CA 0.208 56.414 56.100 0.178 0.000 1.044 537 R CB 0.953 31.270 30.300 0.029 0.000 1.056 537 R HN 0.014 nan 8.270 nan 0.000 0.535 538 L N 0.797 122.100 121.223 0.133 0.000 2.386 538 L HA 0.443 4.783 4.340 0.001 0.000 0.271 538 L C -0.911 175.893 176.870 -0.109 0.000 0.993 538 L CA -0.683 54.112 54.840 -0.075 0.000 0.819 538 L CB 2.334 44.225 42.059 -0.280 0.000 1.294 538 L HN -0.071 nan 8.230 nan 0.000 0.414 539 Q N 2.948 122.585 119.800 -0.272 0.000 2.284 539 Q HA 0.493 4.833 4.340 0.001 0.000 0.269 539 Q C -1.699 174.155 176.000 -0.242 0.000 1.026 539 Q CA -0.668 54.929 55.803 -0.342 0.000 0.831 539 Q CB 2.289 30.591 28.738 -0.727 0.000 1.322 539 Q HN 0.572 nan 8.270 nan 0.000 0.419 540 L N 3.763 124.889 121.223 -0.162 0.000 2.461 540 L HA 0.243 4.583 4.340 0.001 0.000 0.272 540 L C -0.024 176.758 176.870 -0.147 0.000 1.197 540 L CA -0.237 54.534 54.840 -0.115 0.000 0.836 540 L CB 0.255 42.276 42.059 -0.063 0.000 1.105 540 L HN 0.550 nan 8.230 nan 0.000 0.477 541 L N 2.400 123.535 121.223 -0.147 0.000 2.371 541 L HA 0.264 4.605 4.340 0.001 0.000 0.272 541 L C 0.316 177.080 176.870 -0.176 0.000 1.124 541 L CA -0.037 54.686 54.840 -0.195 0.000 0.816 541 L CB 0.779 42.703 42.059 -0.225 0.000 1.129 541 L HN 0.605 nan 8.230 nan 0.000 0.448 542 E N 4.835 124.918 120.200 -0.195 0.000 2.175 542 E HA 0.350 4.701 4.350 0.001 0.000 0.278 542 E C -2.244 174.202 176.600 -0.257 0.000 0.969 542 E CA -1.914 54.393 56.400 -0.155 0.000 0.796 542 E CB 1.242 30.893 29.700 -0.081 0.000 1.104 542 E HN 0.323 nan 8.360 nan 0.000 0.395 543 P HA 0.002 nan 4.420 nan 0.000 0.267 543 P C -0.774 176.421 177.300 -0.176 0.000 1.200 543 P CA 0.153 63.117 63.100 -0.228 0.000 0.772 543 P CB 0.303 31.939 31.700 -0.107 0.000 0.855 544 F N 1.033 120.985 119.950 0.002 0.000 2.380 544 F HA 0.091 4.618 4.527 0.000 0.000 0.325 544 F C 1.541 177.336 175.800 -0.008 0.000 1.136 544 F CA -0.465 57.540 58.000 0.009 0.000 1.171 544 F CB -0.007 38.998 39.000 0.009 0.000 1.230 544 F HN 0.345 nan 8.300 nan 0.000 0.554 545 D N 1.894 122.414 120.400 0.200 0.000 2.443 545 D HA -0.011 4.629 4.640 0.001 0.000 0.239 545 D C -0.304 176.030 176.300 0.058 0.000 1.136 545 D CA -0.167 53.884 54.000 0.084 0.000 0.879 545 D CB 0.698 41.527 40.800 0.048 0.000 1.195 545 D HN 0.217 nan 8.370 nan 0.000 0.443 546 K N 0.934 121.349 120.400 0.026 0.000 2.180 546 K HA 0.058 4.378 4.320 0.001 0.000 0.251 546 K C 0.092 176.699 176.600 0.012 0.000 1.014 546 K CA -0.644 55.652 56.287 0.015 0.000 0.913 546 K CB 0.614 33.118 32.500 0.007 0.000 1.008 546 K HN 0.588 nan 8.250 nan 0.000 0.490 547 W N 3.770 124.922 121.300 -0.246 0.000 2.210 547 W HA -0.036 4.625 4.660 0.001 0.000 0.330 547 W C 0.681 177.111 176.519 -0.149 0.000 1.334 547 W CA -0.174 56.996 57.345 -0.291 0.000 1.227 547 W CB 0.336 29.485 29.460 -0.519 0.000 1.178 547 W HN 0.702 nan 8.180 nan 0.000 0.560 548 D N 2.480 122.558 120.400 -0.536 0.000 2.348 548 D HA 0.036 4.676 4.640 0.001 0.000 0.216 548 D C 1.647 177.433 176.300 -0.857 0.000 0.970 548 D CA 0.941 54.616 54.000 -0.542 0.000 0.889 548 D CB -0.438 40.169 40.800 -0.321 0.000 0.912 548 D HN 0.820 nan 8.370 nan 0.000 0.524 549 G N -0.389 107.291 108.800 -1.867 0.000 2.157 549 G HA2 -0.273 3.687 3.960 0.001 0.000 0.239 549 G HA3 -0.273 3.687 3.960 0.001 0.000 0.239 549 G C 0.130 174.445 174.900 -0.975 0.000 0.982 549 G CA 0.195 44.199 45.100 -1.827 0.000 0.650 549 G HN 0.511 nan 8.290 nan 0.000 0.527 550 K N 0.249 120.286 120.400 -0.604 0.000 2.238 550 K HA 0.554 4.874 4.320 0.001 0.000 0.239 550 K C -0.433 176.302 176.600 0.226 0.000 0.987 550 K CA -1.071 55.159 56.287 -0.095 0.000 0.857 550 K CB 1.143 33.576 32.500 -0.112 0.000 1.154 550 K HN 0.049 nan 8.250 nan 0.000 0.439 551 D N 0.836 121.326 120.400 0.151 0.000 2.384 551 D HA 0.134 4.774 4.640 0.001 0.000 0.244 551 D C -0.259 176.098 176.300 0.095 0.000 1.251 551 D CA 0.062 54.143 54.000 0.134 0.000 0.961 551 D CB 0.611 41.441 40.800 0.051 0.000 1.116 551 D HN 0.207 nan 8.370 nan 0.000 0.484 552 L N 1.722 122.974 121.223 0.048 0.000 2.272 552 L HA 0.198 4.538 4.340 0.001 0.000 0.284 552 L C 0.500 177.366 176.870 -0.007 0.000 1.045 552 L CA -0.540 54.313 54.840 0.023 0.000 0.842 552 L CB 0.374 42.430 42.059 -0.004 0.000 1.224 552 L HN 0.204 nan 8.230 nan 0.000 0.430 553 E N 2.523 122.719 120.200 -0.006 0.000 2.214 553 E HA 0.221 4.572 4.350 0.001 0.000 0.274 553 E C -0.721 175.867 176.600 -0.020 0.000 0.977 553 E CA -0.810 55.580 56.400 -0.016 0.000 0.827 553 E CB 1.571 31.263 29.700 -0.014 0.000 1.130 553 E HN 0.389 nan 8.360 nan 0.000 0.394 554 D N 1.239 121.624 120.400 -0.025 0.000 2.697 554 D HA -0.173 4.467 4.640 0.001 0.000 0.238 554 D C -0.360 175.921 176.300 -0.031 0.000 1.152 554 D CA 0.666 54.649 54.000 -0.028 0.000 0.666 554 D CB -1.220 39.565 40.800 -0.025 0.000 1.037 554 D HN 0.431 nan 8.370 nan 0.000 0.423 555 L N 0.086 121.293 121.223 -0.027 0.000 2.416 555 L HA 0.130 4.470 4.340 0.001 0.000 0.272 555 L C 1.111 177.968 176.870 -0.022 0.000 1.161 555 L CA -0.034 54.796 54.840 -0.017 0.000 0.845 555 L CB 0.567 42.620 42.059 -0.010 0.000 1.119 555 L HN 0.009 nan 8.230 nan 0.000 0.464 556 Q N 2.975 122.756 119.800 -0.033 0.000 2.259 556 Q HA 0.387 4.727 4.340 0.001 0.000 0.249 556 Q C -0.739 175.273 176.000 0.020 0.000 0.914 556 Q CA -0.065 55.689 55.803 -0.082 0.000 0.904 556 Q CB 1.175 29.727 28.738 -0.309 0.000 1.213 556 Q HN 0.469 nan 8.270 nan 0.000 0.428 557 I N 5.624 126.204 120.570 0.017 0.000 2.379 557 I HA -0.003 4.167 4.170 0.001 0.000 0.290 557 I C 0.816 176.977 176.117 0.074 0.000 1.063 557 I CA -0.254 61.085 61.300 0.065 0.000 1.351 557 I CB 0.736 38.755 38.000 0.031 0.000 1.410 557 I HN 0.778 nan 8.210 nan 0.000 0.505 558 L N 8.741 130.024 121.223 0.100 0.000 2.027 558 L HA 0.215 4.556 4.340 0.001 0.000 0.206 558 L C 0.419 177.270 176.870 -0.033 0.000 1.074 558 L CA 1.889 56.711 54.840 -0.029 0.000 0.745 558 L CB 0.151 41.938 42.059 -0.453 0.000 0.898 558 L HN 0.577 nan 8.230 nan 0.000 0.433 559 I N -0.731 119.843 120.570 0.007 0.000 2.731 559 I HA 0.213 4.383 4.170 0.001 0.000 0.289 559 I C -1.223 174.925 176.117 0.052 0.000 1.399 559 I CA -0.754 60.560 61.300 0.023 0.000 1.048 559 I CB 1.291 39.300 38.000 0.016 0.000 1.345 559 I HN -0.053 nan 8.210 nan 0.000 0.425 560 K N 7.098 127.522 120.400 0.039 0.000 2.263 560 K HA 0.599 4.919 4.320 0.001 0.000 0.272 560 K C -1.510 175.140 176.600 0.082 0.000 1.033 560 K CA -0.499 55.806 56.287 0.030 0.000 0.884 560 K CB 1.357 33.821 32.500 -0.060 0.000 1.107 560 K HN 0.472 nan 8.250 nan 0.000 0.460 561 V N 4.506 124.505 119.914 0.143 0.000 2.567 561 V HA 0.225 4.345 4.120 0.001 0.000 0.289 561 V C 0.091 176.307 176.094 0.202 0.000 1.049 561 V CA -0.576 61.819 62.300 0.158 0.000 0.969 561 V CB 1.371 33.307 31.823 0.189 0.000 0.995 561 V HN 0.711 nan 8.190 nan 0.000 0.471 562 K N 2.987 123.467 120.400 0.134 0.000 2.235 562 K HA 0.594 4.914 4.320 0.001 0.000 0.266 562 K C 0.528 177.148 176.600 0.034 0.000 0.980 562 K CA 0.643 57.007 56.287 0.127 0.000 0.849 562 K CB 1.159 33.717 32.500 0.096 0.000 1.098 562 K HN 1.032 nan 8.250 nan 0.000 0.445 563 G N 3.388 112.182 108.800 -0.009 0.000 2.539 563 G HA2 -0.307 3.653 3.960 0.001 0.000 0.256 563 G HA3 -0.307 3.653 3.960 0.001 0.000 0.256 563 G C -0.716 174.118 174.900 -0.110 0.000 1.233 563 G CA -0.212 44.849 45.100 -0.065 0.000 0.936 563 G HN 0.696 nan 8.290 nan 0.000 0.571 564 K N -0.371 119.929 120.400 -0.167 0.000 2.416 564 K HA 0.404 4.724 4.320 0.001 0.000 0.283 564 K C -0.551 175.760 176.600 -0.482 0.000 1.037 564 K CA 0.310 56.437 56.287 -0.267 0.000 0.995 564 K CB 0.089 32.435 32.500 -0.257 0.000 0.938 564 K HN 0.852 nan 8.250 nan 0.000 0.475 565 C N 5.166 124.207 119.300 -0.432 0.000 2.801 565 C HA 0.302 4.762 4.460 0.001 0.000 0.296 565 C C -0.045 174.651 174.990 -0.490 0.000 1.054 565 C CA -0.461 58.231 59.018 -0.543 0.000 1.442 565 C CB -0.190 27.369 27.740 -0.302 0.000 1.860 565 C HN 0.922 nan 8.230 nan 0.000 0.459 566 T N 2.603 116.934 114.554 -0.371 0.000 2.766 566 T HA 0.145 4.495 4.350 0.001 0.000 0.295 566 T C 1.689 176.285 174.700 -0.172 0.000 1.024 566 T CA 0.539 62.501 62.100 -0.230 0.000 1.018 566 T CB 1.046 69.778 68.868 -0.226 0.000 1.002 566 T HN 0.778 nan 8.240 nan 0.000 0.532 567 T N -1.356 113.116 114.554 -0.137 0.000 3.035 567 T HA -0.073 4.277 4.350 0.001 0.000 0.268 567 T C 1.183 175.879 174.700 -0.007 0.000 1.109 567 T CA 0.760 62.793 62.100 -0.112 0.000 1.119 567 T CB -0.098 68.737 68.868 -0.057 0.000 0.900 567 T HN 0.456 nan 8.240 nan 0.000 0.503 568 D N 0.936 121.362 120.400 0.044 0.000 2.312 568 D HA -0.025 4.615 4.640 0.001 0.000 0.211 568 D C 1.592 177.871 176.300 -0.034 0.000 0.964 568 D CA 0.861 54.884 54.000 0.038 0.000 0.877 568 D CB -0.097 40.762 40.800 0.099 0.000 0.924 568 D HN 0.584 nan 8.370 nan 0.000 0.515 569 H N -0.183 118.838 119.070 -0.082 0.000 2.448 569 H HA 0.153 4.709 4.556 0.001 0.000 0.292 569 H C 2.079 177.361 175.328 -0.076 0.000 1.035 569 H CA 0.543 56.545 56.048 -0.078 0.000 1.349 569 H CB 0.249 29.945 29.762 -0.110 0.000 1.425 569 H HN 0.111 nan 8.280 nan 0.000 0.539 570 I N -1.365 119.213 120.570 0.013 0.000 2.480 570 I HA -0.043 4.127 4.170 0.001 0.000 0.251 570 I C 0.528 176.638 176.117 -0.011 0.000 1.124 570 I CA 0.673 61.972 61.300 -0.001 0.000 1.444 570 I CB 0.432 38.397 38.000 -0.058 0.000 1.098 570 I HN 0.015 nan 8.210 nan 0.000 0.428 571 S N 0.889 116.574 115.700 -0.025 0.000 2.381 571 S HA 0.626 5.097 4.470 0.001 0.000 0.193 571 S C -0.240 174.333 174.600 -0.044 0.000 1.287 571 S CA -0.770 57.399 58.200 -0.053 0.000 1.199 571 S CB 0.147 63.374 63.200 0.046 0.000 1.214 571 S HN 0.218 nan 8.310 nan 0.000 0.444 572 A N 3.105 125.858 122.820 -0.111 0.000 2.507 572 A HA 0.696 5.016 4.320 0.001 0.000 0.235 572 A C 1.118 178.777 177.584 0.125 0.000 1.070 572 A CA 0.525 52.563 52.037 0.001 0.000 0.768 572 A CB -0.080 18.925 19.000 0.009 0.000 1.011 572 A HN 1.244 nan 8.150 nan 0.000 0.502 573 A N 1.323 124.252 122.820 0.182 0.000 3.637 573 A HA 0.736 5.057 4.320 0.001 0.000 0.192 573 A C 1.845 179.579 177.584 0.249 0.000 1.783 573 A CA 0.873 53.032 52.037 0.204 0.000 1.891 573 A CB -1.138 17.957 19.000 0.158 0.000 1.430 573 A HN 2.725 nan 8.150 nan 0.000 0.460 574 G N -0.125 108.778 108.800 0.172 0.000 2.690 574 G HA2 -0.320 3.640 3.960 0.001 0.000 0.334 574 G HA3 -0.320 3.640 3.960 0.001 0.000 0.334 574 G C -0.645 174.303 174.900 0.079 0.000 1.250 574 G CA 1.089 46.267 45.100 0.131 0.000 0.994 574 G HN 0.707 nan 8.290 nan 0.000 0.549 575 P HA -0.056 nan 4.420 nan 0.000 0.222 575 P C 1.239 178.378 177.300 -0.269 0.000 1.147 575 P CA 2.026 65.020 63.100 -0.177 0.000 0.790 575 P CB -0.206 31.329 31.700 -0.277 0.000 0.780 576 W N -0.149 121.168 121.300 0.028 0.000 2.800 576 W HA 0.139 4.799 4.660 0.000 0.000 0.249 576 W C 2.214 178.728 176.519 -0.007 0.000 1.294 576 W CA -0.101 57.294 57.345 0.084 0.000 1.402 576 W CB -0.796 28.741 29.460 0.128 0.000 1.126 576 W HN -0.157 nan 8.180 nan 0.000 0.652 577 L N 0.776 122.059 121.223 0.099 0.000 2.191 577 L HA -0.227 4.113 4.340 0.001 0.000 0.212 577 L C 2.595 179.420 176.870 -0.075 0.000 1.103 577 L CA 1.176 56.033 54.840 0.028 0.000 0.769 577 L CB -0.714 41.368 42.059 0.039 0.000 0.908 577 L HN 0.015 nan 8.230 nan 0.000 0.438 578 K N 0.527 120.778 120.400 -0.250 0.000 2.152 578 K HA -0.185 4.135 4.320 0.001 0.000 0.206 578 K C 1.044 177.349 176.600 -0.491 0.000 1.048 578 K CA 1.481 57.475 56.287 -0.489 0.000 0.933 578 K CB 0.041 32.037 32.500 -0.839 0.000 0.721 578 K HN 0.215 nan 8.250 nan 0.000 0.447 579 F N 0.226 120.212 119.950 0.060 0.000 2.647 579 F HA 0.261 4.788 4.527 0.001 0.000 0.300 579 F C 1.275 177.142 175.800 0.110 0.000 1.106 579 F CA -0.426 57.634 58.000 0.101 0.000 1.313 579 F CB 0.398 39.503 39.000 0.175 0.000 1.007 579 F HN -0.187 nan 8.300 nan 0.000 0.536 580 R N 0.207 120.789 120.500 0.137 0.000 2.285 580 R HA 0.024 4.364 4.340 0.001 0.000 0.213 580 R C 1.897 178.321 176.300 0.206 0.000 1.068 580 R CA 0.816 56.944 56.100 0.046 0.000 1.004 580 R CB -0.866 29.389 30.300 -0.075 0.000 0.873 580 R HN 0.372 nan 8.270 nan 0.000 0.467 581 G N -1.031 107.864 108.800 0.158 0.000 3.393 581 G HA2 -0.063 3.897 3.960 0.001 0.000 0.255 581 G HA3 -0.063 3.897 3.960 0.001 0.000 0.255 581 G C -0.139 174.807 174.900 0.077 0.000 1.097 581 G CA -0.135 45.012 45.100 0.079 0.000 0.780 581 G HN 0.183 nan 8.290 nan 0.000 0.540 582 H N 0.863 119.990 119.070 0.096 0.000 2.953 582 H HA 0.235 4.792 4.556 0.001 0.000 0.290 582 H C 0.613 175.947 175.328 0.010 0.000 1.113 582 H CA -0.740 55.334 56.048 0.044 0.000 1.454 582 H CB 1.494 31.321 29.762 0.109 0.000 1.525 582 H HN 0.030 nan 8.280 nan 0.000 0.505 583 L N 3.762 124.924 121.223 -0.100 0.000 2.079 583 L HA -0.108 4.233 4.340 0.001 0.000 0.210 583 L C 1.741 178.455 176.870 -0.261 0.000 1.081 583 L CA 2.114 56.845 54.840 -0.182 0.000 0.752 583 L CB -0.323 41.492 42.059 -0.408 0.000 0.896 583 L HN 0.571 nan 8.230 nan 0.000 0.433 584 D N -1.277 119.000 120.400 -0.205 0.000 2.183 584 D HA -0.154 4.487 4.640 0.001 0.000 0.203 584 D C 1.868 178.258 176.300 0.151 0.000 0.969 584 D CA 1.300 55.309 54.000 0.015 0.000 0.842 584 D CB -0.007 40.912 40.800 0.199 0.000 0.957 584 D HN 0.529 nan 8.370 nan 0.000 0.484 585 N N -0.609 118.179 118.700 0.146 0.000 2.333 585 N HA 0.038 4.779 4.740 0.001 0.000 0.178 585 N C 1.756 177.221 175.510 -0.076 0.000 1.018 585 N CA 0.141 53.058 53.050 -0.221 0.000 0.882 585 N CB 0.324 38.282 38.487 -0.881 0.000 0.984 585 N HN 0.162 nan 8.380 nan 0.000 0.434 586 I N 0.532 121.183 120.570 0.135 0.000 2.761 586 I HA -0.107 4.064 4.170 0.001 0.000 0.261 586 I C 1.215 177.388 176.117 0.093 0.000 1.198 586 I CA 0.722 62.191 61.300 0.282 0.000 1.482 586 I CB 0.118 38.327 38.000 0.348 0.000 1.100 586 I HN 0.037 nan 8.210 nan 0.000 0.445 587 S N 1.416 117.189 115.700 0.120 0.000 2.537 587 S HA -0.096 4.374 4.470 0.001 0.000 0.240 587 S C 1.353 175.988 174.600 0.058 0.000 0.981 587 S CA 0.674 58.960 58.200 0.143 0.000 0.948 587 S CB -0.465 62.944 63.200 0.349 0.000 0.759 587 S HN 0.527 nan 8.310 nan 0.000 0.531 588 N N 2.658 121.376 118.700 0.029 0.000 2.521 588 N HA -0.024 4.716 4.740 0.001 0.000 0.188 588 N C 0.976 176.325 175.510 -0.268 0.000 1.146 588 N CA 0.423 53.488 53.050 0.025 0.000 0.893 588 N CB -0.371 38.260 38.487 0.240 0.000 0.975 588 N HN 0.796 nan 8.380 nan 0.000 0.451 589 N N 0.069 118.321 118.700 -0.747 0.000 2.230 589 N HA 0.002 4.742 4.740 0.001 0.000 0.202 589 N C 0.157 175.441 175.510 -0.376 0.000 1.119 589 N CA -0.405 52.105 53.050 -0.900 0.000 0.851 589 N CB 0.198 37.658 38.487 -1.711 0.000 0.990 589 N HN -0.055 nan 8.380 nan 0.000 0.497 590 L N 2.280 123.396 121.223 -0.178 0.000 2.660 590 L HA -0.013 4.328 4.340 0.001 0.000 0.272 590 L C 0.625 177.476 176.870 -0.031 0.000 1.194 590 L CA 0.729 55.543 54.840 -0.043 0.000 0.945 590 L CB -0.405 41.690 42.059 0.061 0.000 1.212 590 L HN 0.306 nan 8.230 nan 0.000 0.490 591 L N 4.579 125.800 121.223 -0.003 0.000 4.179 591 L HA -0.309 4.031 4.340 0.001 0.000 0.418 591 L C 1.442 178.319 176.870 0.013 0.000 1.168 591 L CA 0.822 55.679 54.840 0.029 0.000 0.972 591 L CB -1.391 40.702 42.059 0.057 0.000 2.005 591 L HN 0.858 nan 8.230 nan 0.000 0.935 592 I N -4.131 116.425 120.570 -0.024 0.000 3.001 592 I HA 0.033 4.203 4.170 0.001 0.000 0.268 592 I C 1.900 178.035 176.117 0.031 0.000 1.267 592 I CA 1.506 62.806 61.300 -0.000 0.000 1.472 592 I CB -0.345 37.651 38.000 -0.007 0.000 1.089 592 I HN 0.231 nan 8.210 nan 0.000 0.468 593 G N 0.940 109.764 108.800 0.039 0.000 2.887 593 G HA2 0.470 4.430 3.960 0.001 0.000 0.211 593 G HA3 0.470 4.430 3.960 0.001 0.000 0.211 593 G C 0.806 175.829 174.900 0.205 0.000 1.152 593 G CA 0.329 45.472 45.100 0.071 0.000 0.769 593 G HN 0.529 nan 8.290 nan 0.000 0.541 594 A N 0.705 123.620 122.820 0.159 0.000 2.445 594 A HA 0.526 4.846 4.320 0.001 0.000 0.242 594 A C -0.004 177.639 177.584 0.097 0.000 1.075 594 A CA -0.112 51.999 52.037 0.125 0.000 0.777 594 A CB 0.384 19.439 19.000 0.092 0.000 1.013 594 A HN 0.106 nan 8.150 nan 0.000 0.493 595 I N 2.385 122.995 120.570 0.066 0.000 2.342 595 I HA 0.109 4.279 4.170 0.001 0.000 0.291 595 I C 0.350 176.507 176.117 0.067 0.000 1.010 595 I CA -0.431 60.906 61.300 0.061 0.000 1.308 595 I CB 0.745 38.769 38.000 0.040 0.000 1.400 595 I HN 0.720 nan 8.210 nan 0.000 0.488 596 N N 3.829 122.572 118.700 0.072 0.000 2.470 596 N HA 0.012 4.753 4.740 0.001 0.000 0.268 596 N C 1.114 176.672 175.510 0.079 0.000 1.136 596 N CA 0.133 53.233 53.050 0.082 0.000 0.961 596 N CB 1.040 39.588 38.487 0.101 0.000 1.067 596 N HN 0.581 nan 8.380 nan 0.000 0.468 597 S N 2.655 118.402 115.700 0.079 0.000 2.399 597 S HA -0.196 4.275 4.470 0.001 0.000 0.231 597 S C 1.475 176.118 174.600 0.072 0.000 1.022 597 S CA 1.158 59.402 58.200 0.075 0.000 0.983 597 S CB -0.365 62.876 63.200 0.069 0.000 0.803 597 S HN 0.786 nan 8.310 nan 0.000 0.480 598 E N 2.879 123.133 120.200 0.091 0.000 2.118 598 E HA -0.226 4.124 4.350 0.001 0.000 0.195 598 E C 1.111 177.764 176.600 0.088 0.000 0.992 598 E CA 1.648 58.115 56.400 0.113 0.000 0.804 598 E CB -0.084 29.724 29.700 0.179 0.000 0.741 598 E HN 0.865 nan 8.360 nan 0.000 0.458 599 N N -1.501 117.242 118.700 0.072 0.000 2.082 599 N HA 0.095 4.835 4.740 0.001 0.000 0.228 599 N C -0.449 175.064 175.510 0.004 0.000 1.341 599 N CA 0.005 53.057 53.050 0.004 0.000 0.873 599 N CB 0.220 38.665 38.487 -0.070 0.000 1.137 599 N HN -0.016 nan 8.380 nan 0.000 0.505 600 R N -0.231 120.287 120.500 0.030 0.000 3.516 600 R HA -0.204 4.137 4.340 0.001 0.000 0.271 600 R C -0.934 175.379 176.300 0.022 0.000 1.098 600 R CA 1.000 57.117 56.100 0.027 0.000 0.732 600 R CB -1.633 28.677 30.300 0.017 0.000 1.152 600 R HN 0.450 nan 8.270 nan 0.000 0.455 601 K N -0.153 120.264 120.400 0.030 0.000 2.221 601 K HA 0.717 5.037 4.320 0.001 0.000 0.243 601 K C -0.192 176.438 176.600 0.050 0.000 0.968 601 K CA -0.382 55.923 56.287 0.030 0.000 0.846 601 K CB 1.760 34.270 32.500 0.016 0.000 1.141 601 K HN 0.142 nan 8.250 nan 0.000 0.434 602 A N 1.747 124.597 122.820 0.049 0.000 2.309 602 A HA 0.271 4.592 4.320 0.001 0.000 0.298 602 A C 0.259 177.876 177.584 0.055 0.000 1.165 602 A CA -0.150 51.922 52.037 0.059 0.000 0.821 602 A CB 0.109 19.145 19.000 0.059 0.000 1.102 602 A HN 0.898 nan 8.150 nan 0.000 0.500 603 N N -0.207 118.525 118.700 0.053 0.000 2.727 603 N HA -0.177 4.563 4.740 0.001 0.000 0.249 603 N C -0.508 175.035 175.510 0.056 0.000 1.048 603 N CA 1.398 54.474 53.050 0.043 0.000 0.714 603 N CB -1.041 37.472 38.487 0.044 0.000 0.959 603 N HN 0.769 nan 8.380 nan 0.000 0.544 604 S N -0.375 115.376 115.700 0.085 0.000 2.461 604 S HA 0.560 5.030 4.470 0.001 0.000 0.216 604 S C -0.646 174.105 174.600 0.251 0.000 1.201 604 S CA -0.066 58.227 58.200 0.155 0.000 1.171 604 S CB 0.158 63.440 63.200 0.135 0.000 1.169 604 S HN 0.566 nan 8.310 nan 0.000 0.456 605 V N 2.135 122.123 119.914 0.123 0.000 2.960 605 V HA 0.703 4.824 4.120 0.001 0.000 0.315 605 V C 0.012 175.880 176.094 -0.377 0.000 1.087 605 V CA -1.374 60.913 62.300 -0.022 0.000 0.982 605 V CB 1.700 33.473 31.823 -0.083 0.000 1.039 605 V HN 0.744 nan 8.190 nan 0.000 0.437 606 R N 2.873 122.921 120.500 -0.753 0.000 2.267 606 R HA 0.204 4.544 4.340 0.001 0.000 0.319 606 R C -0.103 175.941 176.300 -0.426 0.000 1.067 606 R CA -0.296 55.203 56.100 -1.001 0.000 0.936 606 R CB 0.386 30.029 30.300 -1.096 0.000 1.006 606 R HN 0.956 nan 8.270 nan 0.000 0.452 607 N N 3.502 121.980 118.700 -0.370 0.000 2.420 607 N HA -0.011 4.729 4.740 0.001 0.000 0.262 607 N C 0.527 175.966 175.510 -0.119 0.000 1.144 607 N CA 0.306 53.211 53.050 -0.242 0.000 0.952 607 N CB 1.500 39.760 38.487 -0.378 0.000 1.081 607 N HN 0.702 nan 8.380 nan 0.000 0.480 608 A N 3.699 126.559 122.820 0.066 0.000 2.076 608 A HA -0.097 4.223 4.320 0.001 0.000 0.220 608 A C 1.890 179.482 177.584 0.012 0.000 1.160 608 A CA 1.322 53.373 52.037 0.024 0.000 0.653 608 A CB -0.061 18.952 19.000 0.021 0.000 0.801 608 A HN 0.542 nan 8.150 nan 0.000 0.455 609 V N -0.472 119.463 119.914 0.036 0.000 2.374 609 V HA -0.115 4.005 4.120 0.001 0.000 0.241 609 V C 2.812 178.870 176.094 -0.060 0.000 1.034 609 V CA 2.144 64.453 62.300 0.015 0.000 1.037 609 V CB -0.929 30.970 31.823 0.126 0.000 0.682 609 V HN 0.764 nan 8.190 nan 0.000 0.463 610 T N -3.635 110.824 114.554 -0.159 0.000 3.067 610 T HA -0.055 4.295 4.350 0.001 0.000 0.257 610 T C 1.027 175.664 174.700 -0.105 0.000 1.105 610 T CA 0.343 62.355 62.100 -0.147 0.000 1.104 610 T CB -0.011 68.711 68.868 -0.242 0.000 0.925 610 T HN 0.381 nan 8.240 nan 0.000 0.498 611 Q N 0.390 120.120 119.800 -0.117 0.000 2.494 611 Q HA -0.122 4.219 4.340 0.001 0.000 0.266 611 Q C -0.830 175.134 176.000 -0.059 0.000 1.053 611 Q CA 0.896 56.644 55.803 -0.091 0.000 1.029 611 Q CB -1.520 27.196 28.738 -0.036 0.000 1.423 611 Q HN 0.663 nan 8.270 nan 0.000 0.516 612 E N -0.273 119.865 120.200 -0.103 0.000 2.204 612 E HA 0.446 4.796 4.350 0.001 0.000 0.276 612 E C -0.149 176.404 176.600 -0.078 0.000 0.974 612 E CA -0.627 55.755 56.400 -0.031 0.000 0.815 612 E CB 0.567 30.235 29.700 -0.053 0.000 1.119 612 E HN -0.016 nan 8.360 nan 0.000 0.393 613 F N 0.739 120.655 119.950 -0.057 0.000 2.396 613 F HA 0.519 5.047 4.527 0.001 0.000 0.343 613 F C 1.142 176.905 175.800 -0.060 0.000 1.104 613 F CA 0.473 58.441 58.000 -0.054 0.000 1.161 613 F CB 1.474 40.453 39.000 -0.033 0.000 1.146 613 F HN 0.439 nan 8.300 nan 0.000 0.522 614 G N 2.827 111.663 108.800 0.060 0.000 2.663 614 G HA2 0.531 4.492 3.960 0.001 0.000 0.299 614 G HA3 0.531 4.492 3.960 0.001 0.000 0.299 614 G C -3.298 171.598 174.900 -0.007 0.000 1.372 614 G CA -1.502 43.605 45.100 0.013 0.000 0.781 614 G HN 0.225 nan 8.290 nan 0.000 0.491 615 P HA 0.186 nan 4.420 nan 0.000 0.266 615 P C 1.185 178.446 177.300 -0.064 0.000 1.195 615 P CA -0.353 62.738 63.100 -0.015 0.000 0.768 615 P CB 1.256 32.959 31.700 0.005 0.000 0.838 616 V N 5.778 125.655 119.914 -0.062 0.000 2.295 616 V HA -0.167 3.954 4.120 0.001 0.000 0.246 616 V C -0.782 175.229 176.094 -0.138 0.000 1.049 616 V CA 2.301 64.530 62.300 -0.118 0.000 1.024 616 V CB -2.220 29.552 31.823 -0.085 0.000 0.648 616 V HN 0.647 nan 8.190 nan 0.000 0.447 617 P HA -0.131 nan 4.420 nan 0.000 0.215 617 P C 1.030 178.304 177.300 -0.043 0.000 1.157 617 P CA 1.664 64.741 63.100 -0.038 0.000 0.874 617 P CB -0.107 31.594 31.700 0.002 0.000 0.790 618 D N -1.455 118.917 120.400 -0.046 0.000 2.117 618 D HA -0.100 4.541 4.640 0.001 0.000 0.198 618 D C 1.870 178.110 176.300 -0.100 0.000 0.982 618 D CA 1.394 55.372 54.000 -0.037 0.000 0.828 618 D CB -1.287 39.496 40.800 -0.028 0.000 0.967 618 D HN 0.157 nan 8.370 nan 0.000 0.464 619 T N 0.558 114.981 114.554 -0.218 0.000 2.777 619 T HA -0.081 4.270 4.350 0.001 0.000 0.266 619 T C 2.049 176.409 174.700 -0.568 0.000 1.040 619 T CA 1.424 63.261 62.100 -0.439 0.000 1.141 619 T CB -0.312 68.266 68.868 -0.483 0.000 0.868 619 T HN 0.207 nan 8.240 nan 0.000 0.444 620 A N 1.858 124.434 122.820 -0.408 0.000 1.898 620 A HA -0.086 4.234 4.320 0.001 0.000 0.216 620 A C 2.388 179.982 177.584 0.017 0.000 1.181 620 A CA 1.196 53.053 52.037 -0.299 0.000 0.620 620 A CB -0.443 18.404 19.000 -0.256 0.000 0.819 620 A HN 0.394 nan 8.150 nan 0.000 0.442 621 R N -2.317 118.192 120.500 0.014 0.000 2.115 621 R HA -0.111 4.229 4.340 0.001 0.000 0.230 621 R C 2.092 178.442 176.300 0.083 0.000 1.111 621 R CA 1.468 57.603 56.100 0.058 0.000 0.976 621 R CB -0.444 29.884 30.300 0.046 0.000 0.870 621 R HN 0.711 nan 8.270 nan 0.000 0.445 622 Y N 0.300 120.572 120.300 -0.048 0.000 2.200 622 Y HA -0.264 4.286 4.550 0.001 0.000 0.290 622 Y C 1.754 177.799 175.900 0.243 0.000 1.137 622 Y CA 1.417 59.555 58.100 0.063 0.000 1.163 622 Y CB -0.169 38.250 38.460 -0.069 0.000 0.988 622 Y HN -0.043 nan 8.280 nan 0.000 0.518 623 Y N 0.797 121.281 120.300 0.306 0.000 2.181 623 Y HA -0.205 4.345 4.550 0.001 0.000 0.288 623 Y C 2.585 178.593 175.900 0.180 0.000 1.146 623 Y CA 1.379 59.633 58.100 0.255 0.000 1.164 623 Y CB -1.016 37.606 38.460 0.271 0.000 0.982 623 Y HN 0.150 nan 8.280 nan 0.000 0.515 624 K N 0.380 120.970 120.400 0.317 0.000 2.026 624 K HA -0.254 4.066 4.320 0.001 0.000 0.208 624 K C 2.240 178.846 176.600 0.010 0.000 1.048 624 K CA 1.603 57.983 56.287 0.155 0.000 0.929 624 K CB -0.213 32.348 32.500 0.101 0.000 0.713 624 K HN 0.364 nan 8.250 nan 0.000 0.439 625 Q N -0.289 119.462 119.800 -0.081 0.000 2.135 625 Q HA -0.190 4.151 4.340 0.001 0.000 0.204 625 Q C 1.028 176.751 176.000 -0.460 0.000 0.981 625 Q CA 1.407 57.033 55.803 -0.294 0.000 0.856 625 Q CB 0.048 28.527 28.738 -0.431 0.000 0.902 625 Q HN 0.525 nan 8.270 nan 0.000 0.425 626 H N -1.741 117.245 119.070 -0.139 0.000 2.517 626 H HA 0.179 4.735 4.556 0.001 0.000 0.282 626 H C 0.803 176.115 175.328 -0.026 0.000 1.023 626 H CA 0.680 56.661 56.048 -0.112 0.000 1.169 626 H CB 0.802 30.456 29.762 -0.180 0.000 1.454 626 H HN 0.522 nan 8.280 nan 0.000 0.556 627 G N 1.665 110.497 108.800 0.055 0.000 2.147 627 G HA2 -0.271 3.690 3.960 0.001 0.000 0.244 627 G HA3 -0.271 3.690 3.960 0.001 0.000 0.244 627 G C 0.145 175.085 174.900 0.067 0.000 1.005 627 G CA -0.010 45.117 45.100 0.045 0.000 0.713 627 G HN 0.361 nan 8.290 nan 0.000 0.515 628 I N 0.754 121.398 120.570 0.123 0.000 2.304 628 I HA 0.353 4.523 4.170 0.001 0.000 0.291 628 I C 0.926 177.120 176.117 0.127 0.000 1.018 628 I CA -0.733 60.611 61.300 0.074 0.000 1.260 628 I CB 0.882 38.887 38.000 0.008 0.000 1.390 628 I HN 0.032 nan 8.210 nan 0.000 0.475 629 R N 7.241 127.770 120.500 0.047 0.000 2.390 629 R HA 0.378 4.718 4.340 0.001 0.000 0.291 629 R C -0.820 175.528 176.300 0.080 0.000 1.070 629 R CA -0.212 55.888 56.100 0.000 0.000 1.014 629 R CB 1.080 31.352 30.300 -0.047 0.000 1.007 629 R HN 0.634 nan 8.270 nan 0.000 0.466 630 W N 1.130 122.427 121.300 -0.005 0.000 2.929 630 W HA 0.731 5.392 4.660 0.000 0.000 0.345 630 W C -1.577 174.951 176.519 0.014 0.000 1.151 630 W CA -1.112 56.231 57.345 -0.003 0.000 1.111 630 W CB 0.539 30.046 29.460 0.079 0.000 1.449 630 W HN 0.201 nan 8.180 nan 0.000 0.572 631 V N 1.430 121.633 119.914 0.482 0.000 2.962 631 V HA 0.546 4.666 4.120 0.001 0.000 0.313 631 V C -0.701 175.613 176.094 0.367 0.000 1.099 631 V CA -0.918 61.560 62.300 0.297 0.000 0.971 631 V CB 2.386 34.277 31.823 0.113 0.000 1.028 631 V HN 0.429 nan 8.190 nan 0.000 0.430 632 V N 5.076 125.147 119.914 0.262 0.000 2.513 632 V HA 0.549 4.670 4.120 0.001 0.000 0.299 632 V C -0.613 175.506 176.094 0.042 0.000 1.035 632 V CA -0.633 61.772 62.300 0.175 0.000 0.889 632 V CB 1.860 33.804 31.823 0.202 0.000 0.988 632 V HN 0.535 nan 8.190 nan 0.000 0.440 633 I N 3.825 124.418 120.570 0.039 0.000 2.378 633 I HA 0.685 4.855 4.170 0.001 0.000 0.291 633 I C 0.603 176.773 176.117 0.089 0.000 0.992 633 I CA 0.115 61.441 61.300 0.043 0.000 1.154 633 I CB 1.212 39.243 38.000 0.051 0.000 1.315 633 I HN 0.742 nan 8.210 nan 0.000 0.448 634 G N 4.344 113.178 108.800 0.057 0.000 2.816 634 G HA2 0.469 4.430 3.960 0.001 0.000 0.288 634 G HA3 0.469 4.430 3.960 0.001 0.000 0.288 634 G C -0.731 174.291 174.900 0.204 0.000 1.334 634 G CA -0.175 44.987 45.100 0.104 0.000 0.978 634 G HN 0.475 nan 8.290 nan 0.000 0.493 635 D N -0.970 119.485 120.400 0.091 0.000 2.384 635 D HA 0.242 4.882 4.640 0.001 0.000 0.257 635 D C -0.034 176.204 176.300 -0.104 0.000 1.226 635 D CA -0.277 53.637 54.000 -0.143 0.000 1.129 635 D CB 0.787 41.474 40.800 -0.189 0.000 1.197 635 D HN 0.277 nan 8.370 nan 0.000 0.571 636 E N 0.941 121.070 120.200 -0.117 0.000 2.343 636 E HA 0.071 4.421 4.350 0.001 0.000 0.269 636 E C -0.034 176.537 176.600 -0.048 0.000 1.047 636 E CA -0.163 56.190 56.400 -0.079 0.000 0.874 636 E CB 0.713 30.368 29.700 -0.076 0.000 1.033 636 E HN 0.427 nan 8.360 nan 0.000 0.409 637 N N 2.309 120.992 118.700 -0.029 0.000 2.727 637 N HA -0.277 4.464 4.740 0.001 0.000 0.249 637 N C -0.933 174.584 175.510 0.012 0.000 1.048 637 N CA 0.040 53.095 53.050 0.007 0.000 0.714 637 N CB -0.822 37.665 38.487 0.001 0.000 0.959 637 N HN 0.456 nan 8.380 nan 0.000 0.544 638 Y N 0.267 120.488 120.300 -0.130 0.000 2.620 638 Y HA 0.239 4.789 4.550 0.001 0.000 0.330 638 Y C 1.507 177.443 175.900 0.061 0.000 1.186 638 Y CA 1.868 59.911 58.100 -0.096 0.000 1.467 638 Y CB 0.485 38.814 38.460 -0.220 0.000 1.262 638 Y HN 0.321 nan 8.280 nan 0.000 0.550 639 G N 3.791 112.300 108.800 -0.484 0.000 2.157 639 G HA2 -0.294 3.667 3.960 0.001 0.000 0.239 639 G HA3 -0.294 3.667 3.960 0.001 0.000 0.239 639 G C 0.122 174.945 174.900 -0.127 0.000 0.982 639 G CA 0.013 44.873 45.100 -0.401 0.000 0.650 639 G HN 0.825 nan 8.290 nan 0.000 0.527 640 E N 0.250 120.390 120.200 -0.100 0.000 2.653 640 E HA 0.370 4.721 4.350 0.001 0.000 0.264 640 E C 1.192 177.811 176.600 0.031 0.000 0.949 640 E CA 1.569 57.959 56.400 -0.017 0.000 0.953 640 E CB -0.076 29.583 29.700 -0.068 0.000 0.925 640 E HN 1.765 nan 8.360 nan 0.000 0.475 641 G N 2.825 111.706 108.800 0.134 0.000 2.341 641 G HA2 -0.220 3.740 3.960 0.001 0.000 0.196 641 G HA3 -0.220 3.740 3.960 0.001 0.000 0.196 641 G C -0.171 174.805 174.900 0.126 0.000 1.231 641 G CA -0.235 44.998 45.100 0.222 0.000 1.155 641 G HN 0.837 nan 8.290 nan 0.000 0.529 642 S N -0.091 115.695 115.700 0.144 0.000 2.558 642 S HA 0.366 4.837 4.470 0.001 0.000 0.287 642 S C 1.935 176.592 174.600 0.095 0.000 1.321 642 S CA 1.178 59.438 58.200 0.100 0.000 1.048 642 S CB 0.742 64.022 63.200 0.135 0.000 0.844 642 S HN 2.210 nan 8.310 nan 0.000 0.512 643 S N 3.434 119.183 115.700 0.083 0.000 2.607 643 S HA -0.019 4.451 4.470 0.001 0.000 0.224 643 S C 0.742 175.424 174.600 0.136 0.000 0.969 643 S CA -0.204 58.057 58.200 0.102 0.000 0.927 643 S CB -0.511 62.733 63.200 0.072 0.000 0.772 643 S HN 0.878 nan 8.310 nan 0.000 0.533 644 R N 2.211 122.801 120.500 0.151 0.000 2.549 644 R HA -0.039 4.302 4.340 0.001 0.000 0.336 644 R C 0.809 177.256 176.300 0.245 0.000 0.891 644 R CA 0.729 56.961 56.100 0.221 0.000 1.102 644 R CB -0.319 30.106 30.300 0.209 0.000 0.899 644 R HN 0.658 nan 8.270 nan 0.000 0.407 645 E N 2.435 122.746 120.200 0.185 0.000 2.463 645 E HA -0.224 4.126 4.350 0.001 0.000 0.201 645 E C 0.268 176.895 176.600 0.044 0.000 1.045 645 E CA 1.117 57.571 56.400 0.091 0.000 0.872 645 E CB -0.220 29.477 29.700 -0.004 0.000 0.797 645 E HN 0.807 nan 8.360 nan 0.000 0.538 646 H N 0.738 119.880 119.070 0.120 0.000 2.457 646 H HA -0.036 4.520 4.556 0.001 0.000 0.297 646 H C 2.078 177.494 175.328 0.146 0.000 1.092 646 H CA 1.774 57.895 56.048 0.121 0.000 1.309 646 H CB -0.059 29.766 29.762 0.106 0.000 1.382 646 H HN 0.029 nan 8.280 nan 0.000 0.535 647 R N -0.115 120.545 120.500 0.266 0.000 2.235 647 R HA 0.214 4.554 4.340 0.001 0.000 0.213 647 R C 2.260 178.789 176.300 0.382 0.000 1.059 647 R CA 0.741 57.006 56.100 0.274 0.000 0.997 647 R CB -0.619 29.805 30.300 0.206 0.000 0.884 647 R HN 0.563 nan 8.270 nan 0.000 0.462 648 A N -0.084 122.907 122.820 0.286 0.000 1.993 648 A HA 0.331 4.652 4.320 0.001 0.000 0.207 648 A C 2.068 179.713 177.584 0.101 0.000 1.224 648 A CA 0.172 52.307 52.037 0.164 0.000 0.749 648 A CB -0.008 19.011 19.000 0.032 0.000 0.884 648 A HN 0.314 nan 8.150 nan 0.000 0.467 649 L N -0.139 121.149 121.223 0.108 0.000 2.056 649 L HA -0.152 4.188 4.340 0.001 0.000 0.207 649 L C 2.488 179.483 176.870 0.209 0.000 1.078 649 L CA 1.434 56.361 54.840 0.146 0.000 0.749 649 L CB -0.430 41.693 42.059 0.106 0.000 0.901 649 L HN 0.442 nan 8.230 nan 0.000 0.433 650 E N 0.074 120.405 120.200 0.218 0.000 2.031 650 E HA -0.200 4.150 4.350 0.001 0.000 0.193 650 E C -0.671 176.120 176.600 0.318 0.000 0.994 650 E CA 1.440 58.012 56.400 0.286 0.000 0.800 650 E CB -0.997 28.843 29.700 0.235 0.000 0.752 650 E HN 0.450 nan 8.360 nan 0.000 0.447 651 P HA -0.168 nan 4.420 nan 0.000 0.218 651 P C 1.196 178.500 177.300 0.007 0.000 1.149 651 P CA 1.258 64.538 63.100 0.300 0.000 0.817 651 P CB 0.082 31.979 31.700 0.328 0.000 0.785 652 R N -0.397 120.058 120.500 -0.076 0.000 2.066 652 R HA -0.086 4.254 4.340 0.001 0.000 0.232 652 R C 2.204 178.400 176.300 -0.173 0.000 1.131 652 R CA 1.197 57.101 56.100 -0.327 0.000 0.955 652 R CB -1.810 28.058 30.300 -0.721 0.000 0.851 652 R HN 0.035 nan 8.270 nan 0.000 0.432 653 F N 0.515 120.444 119.950 -0.035 0.000 2.126 653 F HA -0.036 4.491 4.527 0.001 0.000 0.299 653 F C 1.209 177.097 175.800 0.145 0.000 1.096 653 F CA 1.383 59.489 58.000 0.177 0.000 1.255 653 F CB -0.056 39.095 39.000 0.252 0.000 0.997 653 F HN 0.014 nan 8.300 nan 0.000 0.479 654 L N -0.111 121.149 121.223 0.062 0.000 2.645 654 L HA 0.239 4.579 4.340 0.001 0.000 0.234 654 L C 1.405 178.438 176.870 0.273 0.000 1.165 654 L CA 0.614 55.530 54.840 0.126 0.000 0.944 654 L CB -0.985 41.292 42.059 0.364 0.000 1.149 654 L HN 0.489 nan 8.230 nan 0.000 0.446 655 G N -0.288 108.473 108.800 -0.066 0.000 2.144 655 G HA2 -0.202 3.759 3.960 0.001 0.000 0.218 655 G HA3 -0.202 3.759 3.960 0.001 0.000 0.218 655 G C 0.513 174.857 174.900 -0.927 0.000 0.988 655 G CA -0.255 44.693 45.100 -0.253 0.000 0.659 655 G HN 0.516 nan 8.290 nan 0.000 0.522 656 G N -1.046 106.894 108.800 -1.434 0.000 2.503 656 G HA2 0.544 4.504 3.960 0.001 0.000 0.257 656 G HA3 0.544 4.504 3.960 0.001 0.000 0.257 656 G C 0.572 175.004 174.900 -0.780 0.000 1.214 656 G CA 0.141 44.100 45.100 -1.901 0.000 0.839 656 G HN 0.308 nan 8.290 nan 0.000 0.559 657 R N 0.011 120.190 120.500 -0.535 0.000 2.350 657 R HA 0.517 4.857 4.340 0.001 0.000 0.199 657 R C 0.681 176.894 176.300 -0.146 0.000 0.876 657 R CA 0.951 56.900 56.100 -0.253 0.000 1.062 657 R CB 0.648 30.841 30.300 -0.177 0.000 1.263 657 R HN 0.763 nan 8.270 nan 0.000 0.641 658 A N 0.035 122.783 122.820 -0.120 0.000 2.606 658 A HA 0.653 4.973 4.320 0.001 0.000 0.293 658 A C -1.687 175.892 177.584 -0.008 0.000 1.082 658 A CA -0.619 51.378 52.037 -0.068 0.000 0.685 658 A CB 1.400 20.342 19.000 -0.097 0.000 1.284 658 A HN 0.012 nan 8.150 nan 0.000 0.408 659 I N 1.578 122.163 120.570 0.024 0.000 2.478 659 I HA 0.426 4.596 4.170 0.001 0.000 0.287 659 I C -1.009 175.129 176.117 0.036 0.000 1.042 659 I CA -0.146 61.179 61.300 0.043 0.000 1.067 659 I CB 1.227 39.306 38.000 0.131 0.000 1.233 659 I HN 0.523 nan 8.210 nan 0.000 0.431 660 I N 5.966 126.472 120.570 -0.107 0.000 2.389 660 I HA 0.453 4.624 4.170 0.001 0.000 0.288 660 I C 0.285 176.182 176.117 -0.367 0.000 0.999 660 I CA -0.174 60.973 61.300 -0.256 0.000 1.129 660 I CB 2.156 39.949 38.000 -0.345 0.000 1.288 660 I HN 0.672 nan 8.210 nan 0.000 0.444 661 T N 0.936 115.229 114.554 -0.436 0.000 2.838 661 T HA 0.454 4.804 4.350 0.001 0.000 0.292 661 T C 0.520 175.155 174.700 -0.107 0.000 1.113 661 T CA -0.864 61.041 62.100 -0.325 0.000 1.008 661 T CB 2.164 70.606 68.868 -0.710 0.000 1.259 661 T HN 0.449 nan 8.240 nan 0.000 0.520 662 K N 0.367 120.812 120.400 0.076 0.000 2.116 662 K HA 0.185 4.505 4.320 0.001 0.000 0.203 662 K C 0.778 177.370 176.600 -0.014 0.000 1.052 662 K CA 1.084 57.449 56.287 0.130 0.000 0.952 662 K CB -0.044 32.467 32.500 0.018 0.000 0.729 662 K HN 0.807 nan 8.250 nan 0.000 0.446 663 S N -0.993 114.622 115.700 -0.142 0.000 2.615 663 S HA 0.541 5.012 4.470 0.001 0.000 0.269 663 S C -1.234 173.213 174.600 -0.254 0.000 1.161 663 S CA -1.132 57.010 58.200 -0.098 0.000 0.817 663 S CB 0.909 64.112 63.200 0.006 0.000 1.131 663 S HN -0.023 nan 8.310 nan 0.000 0.467 664 F N 0.769 120.796 119.950 0.129 0.000 2.561 664 F HA 0.821 5.348 4.527 0.001 0.000 0.321 664 F C 0.775 176.659 175.800 0.140 0.000 1.065 664 F CA -0.403 57.706 58.000 0.181 0.000 0.934 664 F CB 1.975 41.080 39.000 0.175 0.000 1.215 664 F HN 1.008 nan 8.300 nan 0.000 0.471 665 A N 2.437 125.468 122.820 0.350 0.000 2.332 665 A HA 0.360 4.681 4.320 0.001 0.000 0.258 665 A C 1.516 179.256 177.584 0.260 0.000 1.087 665 A CA -0.395 51.784 52.037 0.237 0.000 0.802 665 A CB 0.520 19.627 19.000 0.178 0.000 1.042 665 A HN 0.990 nan 8.150 nan 0.000 0.489 666 R N 0.835 121.442 120.500 0.179 0.000 2.062 666 R HA -0.096 4.244 4.340 0.001 0.000 0.231 666 R C 1.469 177.856 176.300 0.145 0.000 1.136 666 R CA 1.997 58.185 56.100 0.146 0.000 0.948 666 R CB -0.379 29.989 30.300 0.114 0.000 0.845 666 R HN 0.824 nan 8.270 nan 0.000 0.430 667 I N -0.057 120.606 120.570 0.156 0.000 2.315 667 I HA -0.234 3.937 4.170 0.001 0.000 0.248 667 I C 2.395 178.613 176.117 0.169 0.000 1.117 667 I CA 1.299 62.691 61.300 0.153 0.000 1.404 667 I CB -0.412 37.673 38.000 0.141 0.000 1.071 667 I HN 0.331 nan 8.210 nan 0.000 0.419 668 H N 0.935 120.075 119.070 0.117 0.000 2.357 668 H HA -0.170 4.386 4.556 0.001 0.000 0.301 668 H C 2.139 177.516 175.328 0.082 0.000 1.082 668 H CA 1.869 57.995 56.048 0.130 0.000 1.342 668 H CB 0.062 29.939 29.762 0.192 0.000 1.389 668 H HN 0.301 nan 8.280 nan 0.000 0.511 669 E N -0.858 119.333 120.200 -0.016 0.000 2.077 669 E HA -0.160 4.190 4.350 0.001 0.000 0.193 669 E C 1.747 178.207 176.600 -0.234 0.000 0.989 669 E CA 1.662 57.882 56.400 -0.300 0.000 0.800 669 E CB 0.056 29.619 29.700 -0.228 0.000 0.746 669 E HN 0.496 nan 8.360 nan 0.000 0.452 670 T N 0.608 115.116 114.554 -0.077 0.000 2.746 670 T HA -0.121 4.229 4.350 0.001 0.000 0.267 670 T C 1.504 176.185 174.700 -0.032 0.000 1.039 670 T CA 1.535 63.624 62.100 -0.019 0.000 1.142 670 T CB -0.399 68.515 68.868 0.077 0.000 0.866 670 T HN 0.310 nan 8.240 nan 0.000 0.444 671 N N 0.739 119.408 118.700 -0.052 0.000 2.166 671 N HA 0.006 4.746 4.740 0.001 0.000 0.186 671 N C 1.794 177.236 175.510 -0.114 0.000 1.019 671 N CA 0.753 53.768 53.050 -0.059 0.000 0.856 671 N CB -0.276 38.210 38.487 -0.002 0.000 0.993 671 N HN 0.274 nan 8.380 nan 0.000 0.426 672 L N 1.228 122.315 121.223 -0.227 0.000 2.046 672 L HA -0.157 4.183 4.340 0.001 0.000 0.208 672 L C 2.207 179.036 176.870 -0.069 0.000 1.077 672 L CA 1.260 55.986 54.840 -0.191 0.000 0.747 672 L CB -0.290 41.590 42.059 -0.298 0.000 0.896 672 L HN 0.115 nan 8.230 nan 0.000 0.432 673 K N -0.213 120.144 120.400 -0.073 0.000 2.063 673 K HA -0.168 4.153 4.320 0.001 0.000 0.208 673 K C 2.174 178.926 176.600 0.253 0.000 1.048 673 K CA 1.033 57.359 56.287 0.066 0.000 0.928 673 K CB -0.065 32.347 32.500 -0.147 0.000 0.713 673 K HN 0.080 nan 8.250 nan 0.000 0.442 674 K N 0.715 121.142 120.400 0.045 0.000 2.152 674 K HA -0.122 4.198 4.320 0.001 0.000 0.206 674 K C 1.674 178.203 176.600 -0.120 0.000 1.048 674 K CA 1.269 57.410 56.287 -0.242 0.000 0.933 674 K CB 0.043 32.366 32.500 -0.295 0.000 0.721 674 K HN 0.200 nan 8.250 nan 0.000 0.447 675 Q N -0.724 119.065 119.800 -0.019 0.000 2.246 675 Q HA 0.143 4.484 4.340 0.001 0.000 0.202 675 Q C 0.711 176.699 176.000 -0.020 0.000 0.883 675 Q CA 0.427 56.237 55.803 0.013 0.000 0.952 675 Q CB 0.700 29.424 28.738 -0.024 0.000 1.078 675 Q HN 0.478 nan 8.270 nan 0.000 0.493 676 G N 0.655 109.513 108.800 0.096 0.000 2.143 676 G HA2 -0.264 3.696 3.960 0.001 0.000 0.249 676 G HA3 -0.264 3.696 3.960 0.001 0.000 0.249 676 G C -0.049 174.947 174.900 0.159 0.000 0.981 676 G CA 0.120 45.303 45.100 0.138 0.000 0.665 676 G HN 0.292 nan 8.290 nan 0.000 0.528 677 L N -0.561 120.731 121.223 0.115 0.000 2.365 677 L HA 0.728 5.068 4.340 0.001 0.000 0.267 677 L C 0.839 177.803 176.870 0.157 0.000 1.033 677 L CA -1.133 53.753 54.840 0.077 0.000 0.802 677 L CB 1.278 43.319 42.059 -0.031 0.000 1.267 677 L HN 0.020 nan 8.230 nan 0.000 0.457 678 L N 3.615 124.861 121.223 0.038 0.000 2.287 678 L HA 0.357 4.697 4.340 0.001 0.000 0.280 678 L C -2.198 174.672 176.870 0.000 0.000 1.055 678 L CA -1.649 53.179 54.840 -0.020 0.000 0.863 678 L CB 0.976 42.862 42.059 -0.288 0.000 1.245 678 L HN 0.261 nan 8.230 nan 0.000 0.432 679 P HA 0.253 nan 4.420 nan 0.000 0.281 679 P C -0.989 176.335 177.300 0.040 0.000 1.286 679 P CA -0.011 62.974 63.100 -0.192 0.000 0.772 679 P CB 1.032 32.259 31.700 -0.789 0.000 0.862 680 L N 3.242 124.582 121.223 0.195 0.000 2.370 680 L HA 0.623 4.963 4.340 0.001 0.000 0.266 680 L C 0.737 177.687 176.870 0.134 0.000 1.002 680 L CA -0.651 54.267 54.840 0.130 0.000 0.818 680 L CB 2.519 44.552 42.059 -0.044 0.000 1.325 680 L HN 0.314 nan 8.230 nan 0.000 0.418 681 T N -2.223 112.379 114.554 0.080 0.000 2.912 681 T HA 0.606 4.957 4.350 0.001 0.000 0.288 681 T C -0.360 174.290 174.700 -0.083 0.000 1.030 681 T CA -0.652 61.434 62.100 -0.022 0.000 1.020 681 T CB 1.171 70.108 68.868 0.115 0.000 1.056 681 T HN 0.094 nan 8.240 nan 0.000 0.480 682 F N 1.340 121.317 119.950 0.045 0.000 2.578 682 F HA 0.416 4.944 4.527 0.000 0.000 0.376 682 F C 1.761 177.578 175.800 0.028 0.000 1.085 682 F CA -0.403 57.617 58.000 0.033 0.000 1.260 682 F CB 0.154 39.173 39.000 0.032 0.000 1.095 682 F HN 0.885 nan 8.300 nan 0.000 0.573 683 A N 1.595 124.538 122.820 0.206 0.000 1.968 683 A HA -0.095 4.225 4.320 0.001 0.000 0.217 683 A C 0.679 178.332 177.584 0.114 0.000 1.169 683 A CA 1.365 53.473 52.037 0.120 0.000 0.638 683 A CB -0.324 18.725 19.000 0.081 0.000 0.812 683 A HN 0.641 nan 8.150 nan 0.000 0.446 684 D N -1.450 119.031 120.400 0.134 0.000 2.462 684 D HA 0.295 4.935 4.640 0.001 0.000 0.245 684 D C -2.096 174.226 176.300 0.036 0.000 1.122 684 D CA -2.283 51.757 54.000 0.066 0.000 0.864 684 D CB 1.614 42.432 40.800 0.030 0.000 1.098 684 D HN -0.040 nan 8.370 nan 0.000 0.541 685 P HA -0.140 nan 4.420 nan 0.000 0.222 685 P C 1.019 178.190 177.300 -0.214 0.000 1.142 685 P CA 0.661 63.718 63.100 -0.072 0.000 0.788 685 P CB 0.230 31.916 31.700 -0.024 0.000 0.767 686 A N 0.331 123.066 122.820 -0.141 0.000 2.067 686 A HA -0.149 4.172 4.320 0.001 0.000 0.219 686 A C 1.818 179.285 177.584 -0.194 0.000 1.158 686 A CA 1.429 53.389 52.037 -0.128 0.000 0.661 686 A CB -1.070 17.890 19.000 -0.067 0.000 0.801 686 A HN 0.051 nan 8.150 nan 0.000 0.452 687 D N -1.554 118.676 120.400 -0.283 0.000 2.354 687 D HA -0.161 4.479 4.640 0.001 0.000 0.216 687 D C 1.301 177.241 176.300 -0.600 0.000 0.970 687 D CA 0.902 54.703 54.000 -0.333 0.000 0.905 687 D CB -0.408 40.289 40.800 -0.171 0.000 0.903 687 D HN 0.708 nan 8.370 nan 0.000 0.508 688 Y N 1.609 121.276 120.300 -1.055 0.000 2.256 688 Y HA -0.186 4.364 4.550 0.001 0.000 0.288 688 Y C 1.501 177.188 175.900 -0.355 0.000 1.155 688 Y CA 1.297 58.916 58.100 -0.802 0.000 1.203 688 Y CB -0.042 38.071 38.460 -0.579 0.000 0.980 688 Y HN -0.056 nan 8.280 nan 0.000 0.530 689 N N 0.197 118.808 118.700 -0.149 0.000 2.467 689 N HA -0.057 4.683 4.740 0.001 0.000 0.184 689 N C 1.167 176.553 175.510 -0.208 0.000 1.106 689 N CA 0.699 53.667 53.050 -0.137 0.000 0.892 689 N CB -0.044 38.435 38.487 -0.013 0.000 0.969 689 N HN 0.474 nan 8.380 nan 0.000 0.454 690 K N 0.352 120.628 120.400 -0.207 0.000 2.365 690 K HA 0.191 4.512 4.320 0.001 0.000 0.197 690 K C 0.364 176.789 176.600 -0.292 0.000 1.042 690 K CA 0.411 56.621 56.287 -0.128 0.000 0.987 690 K CB 0.551 33.038 32.500 -0.021 0.000 0.779 690 K HN 0.103 nan 8.250 nan 0.000 0.484 691 I N 1.339 121.644 120.570 -0.442 0.000 2.354 691 I HA 0.153 4.323 4.170 0.001 0.000 0.292 691 I C -0.587 175.144 176.117 -0.643 0.000 0.989 691 I CA -0.744 60.315 61.300 -0.402 0.000 1.188 691 I CB 1.181 39.075 38.000 -0.176 0.000 1.342 691 I HN 0.050 nan 8.210 nan 0.000 0.457 692 H N 5.901 124.968 119.070 -0.006 0.000 2.569 692 H HA 0.292 4.848 4.556 0.001 0.000 0.357 692 H C -1.935 173.389 175.328 -0.007 0.000 1.153 692 H CA -1.852 54.189 56.048 -0.012 0.000 1.193 692 H CB 1.091 30.867 29.762 0.023 0.000 1.602 692 H HN 0.300 nan 8.280 nan 0.000 0.523 693 P HA -0.225 nan 4.420 nan 0.000 0.218 693 P C 1.316 178.644 177.300 0.048 0.000 1.146 693 P CA 0.940 64.070 63.100 0.049 0.000 0.820 693 P CB 0.358 32.088 31.700 0.050 0.000 0.778 694 V N -1.356 118.606 119.914 0.079 0.000 3.406 694 V HA -0.001 4.119 4.120 0.001 0.000 0.263 694 V C 0.414 176.544 176.094 0.061 0.000 1.172 694 V CA 0.683 63.017 62.300 0.056 0.000 1.140 694 V CB -0.650 31.207 31.823 0.056 0.000 0.784 694 V HN 0.007 nan 8.190 nan 0.000 0.467 695 D N 1.445 121.898 120.400 0.088 0.000 2.357 695 D HA 0.256 4.896 4.640 0.001 0.000 0.242 695 D C -0.016 176.286 176.300 0.003 0.000 1.153 695 D CA 0.254 54.290 54.000 0.060 0.000 0.918 695 D CB 0.662 41.503 40.800 0.069 0.000 1.181 695 D HN 0.203 nan 8.370 nan 0.000 0.435 696 K N 0.955 121.342 120.400 -0.023 0.000 2.208 696 K HA 0.586 4.907 4.320 0.001 0.000 0.247 696 K C -0.344 176.229 176.600 -0.045 0.000 0.953 696 K CA -0.709 55.559 56.287 -0.032 0.000 0.837 696 K CB 1.844 34.324 32.500 -0.032 0.000 1.131 696 K HN 0.324 nan 8.250 nan 0.000 0.431 697 L N 0.801 122.001 121.223 -0.038 0.000 2.370 697 L HA 0.498 4.839 4.340 0.001 0.000 0.266 697 L C -0.269 176.576 176.870 -0.042 0.000 1.002 697 L CA -0.842 53.972 54.840 -0.044 0.000 0.818 697 L CB 2.312 44.350 42.059 -0.036 0.000 1.325 697 L HN 0.460 nan 8.230 nan 0.000 0.418 698 T N 3.416 117.943 114.554 -0.046 0.000 2.812 698 T HA 0.540 4.890 4.350 0.001 0.000 0.282 698 T C -0.364 174.303 174.700 -0.054 0.000 0.990 698 T CA -0.374 61.700 62.100 -0.043 0.000 0.960 698 T CB 1.392 70.239 68.868 -0.035 0.000 0.948 698 T HN 0.163 nan 8.240 nan 0.000 0.438 699 I N 3.820 124.349 120.570 -0.068 0.000 2.321 699 I HA 0.375 4.545 4.170 0.001 0.000 0.291 699 I C 0.394 176.454 176.117 -0.095 0.000 0.998 699 I CA -0.524 60.713 61.300 -0.105 0.000 1.227 699 I CB 1.147 39.051 38.000 -0.160 0.000 1.368 699 I HN 0.573 nan 8.210 nan 0.000 0.466 700 Q N 2.900 122.645 119.800 -0.091 0.000 2.348 700 Q HA 0.618 4.958 4.340 0.001 0.000 0.271 700 Q C 0.502 176.447 176.000 -0.093 0.000 1.067 700 Q CA -0.553 55.210 55.803 -0.067 0.000 0.839 700 Q CB 2.558 31.272 28.738 -0.039 0.000 1.354 700 Q HN 0.929 nan 8.270 nan 0.000 0.447 701 G N 0.868 109.632 108.800 -0.060 0.000 2.134 701 G HA2 -0.187 3.773 3.960 0.001 0.000 0.209 701 G HA3 -0.187 3.773 3.960 0.001 0.000 0.209 701 G C 0.259 175.095 174.900 -0.107 0.000 0.993 701 G CA -0.350 44.714 45.100 -0.059 0.000 0.669 701 G HN 0.456 nan 8.290 nan 0.000 0.519 702 L N -0.400 120.752 121.223 -0.117 0.000 2.275 702 L HA 0.139 4.480 4.340 0.001 0.000 0.215 702 L C 2.627 179.529 176.870 0.054 0.000 1.119 702 L CA 2.161 56.867 54.840 -0.223 0.000 0.790 702 L CB -0.739 41.222 42.059 -0.165 0.000 0.919 702 L HN 0.294 nan 8.230 nan 0.000 0.443 703 K N 0.619 121.140 120.400 0.202 0.000 2.148 703 K HA -0.112 4.208 4.320 0.001 0.000 0.204 703 K C 0.402 177.102 176.600 0.166 0.000 1.050 703 K CA 1.071 57.522 56.287 0.273 0.000 0.942 703 K CB -0.189 32.420 32.500 0.183 0.000 0.724 703 K HN 0.460 nan 8.250 nan 0.000 0.446 704 D N -0.720 119.740 120.400 0.100 0.000 2.980 704 D HA 0.029 4.669 4.640 0.001 0.000 0.333 704 D C -0.632 175.721 176.300 0.087 0.000 1.356 704 D CA -0.611 53.437 54.000 0.080 0.000 0.847 704 D CB -0.264 40.569 40.800 0.055 0.000 1.122 704 D HN -0.150 nan 8.370 nan 0.000 0.475 705 F N 2.389 122.256 119.950 -0.139 0.000 2.578 705 F HA 0.431 4.958 4.527 0.001 0.000 0.381 705 F C -0.031 175.659 175.800 -0.183 0.000 1.069 705 F CA -1.236 56.605 58.000 -0.265 0.000 1.231 705 F CB 0.050 38.772 39.000 -0.463 0.000 1.086 705 F HN 0.295 nan 8.300 nan 0.000 0.564 706 A N 7.370 130.204 122.820 0.022 0.000 2.574 706 A HA 0.654 4.974 4.320 0.001 0.000 0.297 706 A C -2.936 174.688 177.584 0.066 0.000 1.062 706 A CA -1.759 50.246 52.037 -0.053 0.000 0.686 706 A CB 1.366 20.371 19.000 0.009 0.000 1.285 706 A HN 0.471 nan 8.150 nan 0.000 0.403 707 P HA 0.254 nan 4.420 nan 0.000 0.260 707 P C 1.157 178.483 177.300 0.043 0.000 1.172 707 P CA 2.342 65.481 63.100 0.065 0.000 0.760 707 P CB 0.530 32.226 31.700 -0.007 0.000 0.773 708 G N 2.008 110.790 108.800 -0.030 0.000 2.212 708 G HA2 -0.289 3.671 3.960 0.001 0.000 0.266 708 G HA3 -0.289 3.671 3.960 0.001 0.000 0.266 708 G C 0.241 175.112 174.900 -0.049 0.000 0.978 708 G CA 0.055 45.109 45.100 -0.077 0.000 0.632 708 G HN 0.684 nan 8.290 nan 0.000 0.537 709 K N 1.865 122.292 120.400 0.046 0.000 2.234 709 K HA 0.462 4.782 4.320 0.001 0.000 0.277 709 K C -2.130 174.556 176.600 0.143 0.000 1.038 709 K CA -1.970 54.366 56.287 0.082 0.000 0.888 709 K CB 1.866 34.427 32.500 0.102 0.000 1.091 709 K HN 0.131 nan 8.250 nan 0.000 0.467 710 P HA 0.080 nan 4.420 nan 0.000 0.272 710 P C -0.596 176.751 177.300 0.078 0.000 1.230 710 P CA -0.211 62.938 63.100 0.082 0.000 0.788 710 P CB 0.857 32.575 31.700 0.032 0.000 0.949 711 L N 0.891 122.140 121.223 0.044 0.000 2.331 711 L HA 0.443 4.784 4.340 0.001 0.000 0.275 711 L C 1.089 177.934 176.870 -0.042 0.000 1.022 711 L CA -0.658 54.150 54.840 -0.054 0.000 0.812 711 L CB 1.665 43.617 42.059 -0.179 0.000 1.257 711 L HN 0.426 nan 8.230 nan 0.000 0.435 712 T N -1.595 112.928 114.554 -0.051 0.000 2.875 712 T HA 0.425 4.775 4.350 0.001 0.000 0.284 712 T C -0.531 174.141 174.700 -0.046 0.000 0.995 712 T CA -0.712 61.370 62.100 -0.031 0.000 1.060 712 T CB 1.557 70.412 68.868 -0.020 0.000 0.967 712 T HN 0.637 nan 8.240 nan 0.000 0.476 713 C N 4.282 123.565 119.300 -0.029 0.000 2.364 713 C HA 0.701 5.161 4.460 0.001 0.000 0.324 713 C C -0.653 174.322 174.990 -0.025 0.000 1.234 713 C CA -0.980 58.017 59.018 -0.035 0.000 1.417 713 C CB -1.153 26.571 27.740 -0.026 0.000 2.101 713 C HN 0.930 nan 8.230 nan 0.000 0.466 714 I N 7.354 127.902 120.570 -0.037 0.000 2.297 714 I HA 0.355 4.525 4.170 0.001 0.000 0.291 714 I C 0.310 176.385 176.117 -0.071 0.000 1.033 714 I CA 0.241 61.514 61.300 -0.044 0.000 1.253 714 I CB 0.885 38.862 38.000 -0.039 0.000 1.396 714 I HN 0.515 nan 8.210 nan 0.000 0.476 715 I N 7.075 127.583 120.570 -0.104 0.000 2.379 715 I HA 0.167 4.337 4.170 0.001 0.000 0.290 715 I C 0.278 176.232 176.117 -0.271 0.000 1.063 715 I CA -0.362 60.825 61.300 -0.189 0.000 1.351 715 I CB 0.206 38.066 38.000 -0.233 0.000 1.410 715 I HN 0.440 nan 8.210 nan 0.000 0.505 716 K N 6.153 126.432 120.400 -0.202 0.000 2.268 716 K HA 0.326 4.646 4.320 0.001 0.000 0.276 716 K C -0.499 176.029 176.600 -0.119 0.000 1.080 716 K CA -0.605 55.597 56.287 -0.141 0.000 0.910 716 K CB 0.491 32.953 32.500 -0.064 0.000 1.163 716 K HN 0.440 nan 8.250 nan 0.000 0.465 717 H N 2.190 121.276 119.070 0.027 0.000 2.551 717 H HA 0.052 4.608 4.556 0.001 0.000 0.358 717 H C -1.681 173.655 175.328 0.014 0.000 1.151 717 H CA -2.179 53.888 56.048 0.032 0.000 1.374 717 H CB 0.962 30.745 29.762 0.035 0.000 1.473 717 H HN 0.376 nan 8.280 nan 0.000 0.574 718 P HA -0.140 nan 4.420 nan 0.000 0.217 718 P C 0.987 178.316 177.300 0.048 0.000 1.150 718 P CA 1.199 64.338 63.100 0.065 0.000 0.832 718 P CB 0.243 31.970 31.700 0.044 0.000 0.787 719 N N -0.745 117.984 118.700 0.049 0.000 2.609 719 N HA -0.004 4.736 4.740 0.001 0.000 0.190 719 N C 1.297 176.830 175.510 0.038 0.000 1.157 719 N CA 1.210 54.276 53.050 0.027 0.000 0.918 719 N CB -1.190 37.299 38.487 0.002 0.000 0.978 719 N HN 0.257 nan 8.380 nan 0.000 0.448 720 G N -1.500 107.333 108.800 0.056 0.000 2.234 720 G HA2 -0.276 3.685 3.960 0.001 0.000 0.235 720 G HA3 -0.276 3.685 3.960 0.001 0.000 0.235 720 G C 0.139 175.078 174.900 0.065 0.000 0.997 720 G CA 0.325 45.452 45.100 0.046 0.000 0.623 720 G HN 0.518 nan 8.290 nan 0.000 0.514 721 T N 1.876 116.494 114.554 0.108 0.000 2.930 721 T HA 0.515 4.865 4.350 0.001 0.000 0.306 721 T C 0.166 174.964 174.700 0.162 0.000 1.045 721 T CA 0.373 62.562 62.100 0.149 0.000 1.134 721 T CB 1.474 70.471 68.868 0.216 0.000 0.961 721 T HN 0.491 nan 8.240 nan 0.000 0.545 722 Q N 1.121 120.979 119.800 0.097 0.000 2.377 722 Q HA 0.482 4.822 4.340 0.001 0.000 0.271 722 Q C -0.756 175.262 176.000 0.031 0.000 1.077 722 Q CA -0.815 54.995 55.803 0.011 0.000 0.820 722 Q CB 2.481 31.217 28.738 -0.004 0.000 1.347 722 Q HN 0.633 nan 8.270 nan 0.000 0.444 723 E N 1.018 121.202 120.200 -0.026 0.000 2.272 723 E HA 0.385 4.735 4.350 0.001 0.000 0.269 723 E C -1.262 175.334 176.600 -0.007 0.000 0.877 723 E CA -0.526 55.887 56.400 0.021 0.000 0.755 723 E CB 2.397 32.137 29.700 0.067 0.000 1.192 723 E HN 0.347 nan 8.360 nan 0.000 0.422 724 T N 3.135 117.694 114.554 0.009 0.000 2.829 724 T HA 0.606 4.957 4.350 0.001 0.000 0.282 724 T C 0.026 174.739 174.700 0.022 0.000 0.990 724 T CA -0.478 61.626 62.100 0.006 0.000 1.028 724 T CB 0.373 69.244 68.868 0.006 0.000 0.951 724 T HN 0.434 nan 8.240 nan 0.000 0.460 725 I N -0.035 120.553 120.570 0.030 0.000 3.174 725 I HA 0.716 4.886 4.170 0.001 0.000 0.313 725 I C -1.584 174.563 176.117 0.050 0.000 1.155 725 I CA -1.504 59.830 61.300 0.055 0.000 0.977 725 I CB 1.848 39.907 38.000 0.099 0.000 1.248 725 I HN 0.398 nan 8.210 nan 0.000 0.453 726 L N 3.231 124.494 121.223 0.065 0.000 2.342 726 L HA 0.631 4.972 4.340 0.001 0.000 0.271 726 L C -0.993 175.913 176.870 0.061 0.000 1.008 726 L CA -0.808 54.060 54.840 0.048 0.000 0.818 726 L CB 2.082 44.166 42.059 0.041 0.000 1.296 726 L HN 0.486 nan 8.230 nan 0.000 0.427 727 L N 2.725 123.965 121.223 0.028 0.000 2.385 727 L HA 0.490 4.831 4.340 0.001 0.000 0.273 727 L C -0.575 176.322 176.870 0.045 0.000 0.990 727 L CA -0.744 54.103 54.840 0.011 0.000 0.821 727 L CB 2.021 44.047 42.059 -0.055 0.000 1.279 727 L HN 0.566 nan 8.230 nan 0.000 0.412 728 N N 0.922 119.650 118.700 0.047 0.000 2.476 728 N HA 0.520 5.261 4.740 0.001 0.000 0.275 728 N C -0.871 174.703 175.510 0.107 0.000 1.190 728 N CA -0.479 52.587 53.050 0.026 0.000 0.977 728 N CB 1.424 39.913 38.487 0.002 0.000 1.200 728 N HN 0.644 nan 8.380 nan 0.000 0.515 729 H N -4.170 114.967 119.070 0.111 0.000 3.016 729 H HA 0.441 4.997 4.556 0.001 0.000 0.362 729 H C -0.349 175.095 175.328 0.193 0.000 1.233 729 H CA -0.888 55.277 56.048 0.194 0.000 1.124 729 H CB 0.696 30.636 29.762 0.297 0.000 1.850 729 H HN 0.381 nan 8.280 nan 0.000 0.549 730 T N -0.795 113.922 114.554 0.271 0.000 3.243 730 T HA 0.289 4.639 4.350 0.001 0.000 0.264 730 T C -0.490 174.343 174.700 0.222 0.000 1.000 730 T CA -0.463 61.741 62.100 0.172 0.000 0.901 730 T CB -1.021 67.917 68.868 0.117 0.000 1.083 730 T HN 0.270 nan 8.240 nan 0.000 0.559 731 F N 4.325 124.390 119.950 0.190 0.000 2.484 731 F HA 0.395 4.922 4.527 0.001 0.000 0.360 731 F C 1.086 176.791 175.800 -0.158 0.000 1.101 731 F CA -0.917 57.025 58.000 -0.096 0.000 1.251 731 F CB 0.533 39.348 39.000 -0.308 0.000 1.132 731 F HN 0.342 nan 8.300 nan 0.000 0.570 732 N N 1.284 119.870 118.700 -0.191 0.000 2.643 732 N HA 0.152 4.892 4.740 0.001 0.000 0.305 732 N C 0.610 175.957 175.510 -0.271 0.000 1.283 732 N CA -0.442 52.498 53.050 -0.185 0.000 0.946 732 N CB 0.296 38.642 38.487 -0.235 0.000 1.149 732 N HN 0.411 nan 8.380 nan 0.000 0.600 733 E N -0.435 119.624 120.200 -0.235 0.000 2.152 733 E HA -0.047 4.304 4.350 0.001 0.000 0.192 733 E C 1.312 177.735 176.600 -0.295 0.000 0.983 733 E CA 1.051 57.308 56.400 -0.238 0.000 0.818 733 E CB -0.558 29.048 29.700 -0.157 0.000 0.758 733 E HN 0.688 nan 8.360 nan 0.000 0.467 734 T N 1.431 115.769 114.554 -0.361 0.000 2.684 734 T HA -0.178 4.172 4.350 0.001 0.000 0.267 734 T C 1.880 176.070 174.700 -0.850 0.000 1.036 734 T CA 1.375 63.199 62.100 -0.460 0.000 1.148 734 T CB -0.097 68.509 68.868 -0.437 0.000 0.863 734 T HN 0.245 nan 8.240 nan 0.000 0.436 735 Q N -0.060 119.145 119.800 -0.992 0.000 2.172 735 Q HA 0.129 4.470 4.340 0.001 0.000 0.200 735 Q C 2.311 178.128 176.000 -0.305 0.000 0.964 735 Q CA 0.820 55.908 55.803 -1.191 0.000 0.855 735 Q CB -0.221 27.883 28.738 -1.057 0.000 0.918 735 Q HN 0.506 nan 8.270 nan 0.000 0.444 736 I N 0.859 121.290 120.570 -0.230 0.000 2.315 736 I HA -0.233 3.937 4.170 0.001 0.000 0.248 736 I C 2.063 178.159 176.117 -0.035 0.000 1.117 736 I CA 0.770 61.920 61.300 -0.249 0.000 1.404 736 I CB -0.101 37.543 38.000 -0.593 0.000 1.071 736 I HN 0.162 nan 8.210 nan 0.000 0.419 737 E N 0.294 120.442 120.200 -0.086 0.000 2.118 737 E HA -0.222 4.128 4.350 0.001 0.000 0.195 737 E C 1.954 178.681 176.600 0.212 0.000 0.992 737 E CA 1.242 57.666 56.400 0.041 0.000 0.804 737 E CB -0.256 29.450 29.700 0.009 0.000 0.741 737 E HN 0.516 nan 8.360 nan 0.000 0.458 738 W N 0.518 121.867 121.300 0.082 0.000 2.333 738 W HA -0.171 4.489 4.660 0.000 0.000 0.316 738 W C 2.297 178.894 176.519 0.130 0.000 1.215 738 W CA 0.382 57.782 57.345 0.093 0.000 1.278 738 W CB -1.695 27.818 29.460 0.089 0.000 1.154 738 W HN 0.094 nan 8.180 nan 0.000 0.486 739 F N 1.588 121.727 119.950 0.315 0.000 2.069 739 F HA -0.226 4.301 4.527 0.001 0.000 0.298 739 F C 2.480 178.333 175.800 0.089 0.000 1.113 739 F CA 2.197 60.293 58.000 0.161 0.000 1.214 739 F CB -0.619 38.429 39.000 0.079 0.000 0.978 739 F HN -0.234 nan 8.300 nan 0.000 0.474 740 R N 0.127 120.599 120.500 -0.047 0.000 2.096 740 R HA -0.103 4.237 4.340 0.001 0.000 0.235 740 R C 2.303 178.624 176.300 0.035 0.000 1.127 740 R CA 1.241 57.337 56.100 -0.006 0.000 0.968 740 R CB -0.870 29.541 30.300 0.184 0.000 0.861 740 R HN 0.403 nan 8.270 nan 0.000 0.440 741 A N -0.300 122.561 122.820 0.068 0.000 2.167 741 A HA 0.145 4.465 4.320 0.001 0.000 0.214 741 A C 1.607 179.219 177.584 0.047 0.000 1.151 741 A CA 1.160 53.239 52.037 0.070 0.000 0.735 741 A CB -0.114 18.948 19.000 0.104 0.000 0.802 741 A HN 0.510 nan 8.150 nan 0.000 0.467 742 G N -1.581 107.224 108.800 0.007 0.000 2.254 742 G HA2 -0.100 3.860 3.960 0.001 0.000 0.225 742 G HA3 -0.100 3.860 3.960 0.001 0.000 0.225 742 G C 0.364 175.327 174.900 0.105 0.000 1.003 742 G CA 0.552 45.670 45.100 0.029 0.000 0.622 742 G HN 2.187 nan 8.290 nan 0.000 0.507 743 S N -2.063 113.708 115.700 0.119 0.000 2.686 743 S HA 0.768 5.238 4.470 0.001 0.000 0.273 743 S C 0.835 175.443 174.600 0.012 0.000 1.060 743 S CA 0.623 58.887 58.200 0.107 0.000 0.845 743 S CB 0.803 64.107 63.200 0.174 0.000 1.086 743 S HN 1.823 nan 8.310 nan 0.000 0.461 744 A N 0.498 123.179 122.820 -0.233 0.000 1.933 744 A HA 0.066 4.386 4.320 0.001 0.000 0.218 744 A C 2.000 179.428 177.584 -0.260 0.000 1.175 744 A CA 1.813 53.510 52.037 -0.566 0.000 0.628 744 A CB -0.906 17.307 19.000 -1.313 0.000 0.814 744 A HN 1.200 nan 8.150 nan 0.000 0.444 745 L N 0.377 121.492 121.223 -0.179 0.000 2.083 745 L HA -0.149 4.192 4.340 0.001 0.000 0.209 745 L C 1.745 178.574 176.870 -0.068 0.000 1.083 745 L CA 2.079 56.848 54.840 -0.118 0.000 0.752 745 L CB -0.752 41.243 42.059 -0.107 0.000 0.899 745 L HN 0.322 nan 8.230 nan 0.000 0.433 746 N N -0.608 118.074 118.700 -0.030 0.000 2.188 746 N HA -0.150 4.590 4.740 0.001 0.000 0.184 746 N C 1.961 177.481 175.510 0.016 0.000 1.018 746 N CA 0.672 53.720 53.050 -0.003 0.000 0.858 746 N CB -0.380 38.124 38.487 0.028 0.000 0.989 746 N HN 0.212 nan 8.380 nan 0.000 0.426 747 R N 1.232 121.759 120.500 0.044 0.000 2.066 747 R HA 0.037 4.377 4.340 0.001 0.000 0.232 747 R C 2.007 178.340 176.300 0.055 0.000 1.131 747 R CA 0.918 57.071 56.100 0.087 0.000 0.955 747 R CB -0.762 29.655 30.300 0.195 0.000 0.851 747 R HN 0.310 nan 8.270 nan 0.000 0.432 748 M N 0.562 120.174 119.600 0.020 0.000 2.086 748 M HA -0.179 4.301 4.480 0.001 0.000 0.261 748 M C 1.745 178.036 176.300 -0.015 0.000 1.067 748 M CA 1.797 57.099 55.300 0.002 0.000 1.116 748 M CB -0.105 32.475 32.600 -0.034 0.000 1.348 748 M HN -0.019 nan 8.290 nan 0.000 0.407 749 K N -0.008 120.373 120.400 -0.031 0.000 2.283 749 K HA -0.149 4.172 4.320 0.001 0.000 0.202 749 K C 1.651 178.241 176.600 -0.016 0.000 1.048 749 K CA 1.305 57.570 56.287 -0.037 0.000 0.948 749 K CB -0.109 32.362 32.500 -0.049 0.000 0.742 749 K HN 0.568 nan 8.250 nan 0.000 0.458 750 E N 0.904 121.105 120.200 0.002 0.000 2.072 750 E HA -0.109 4.241 4.350 0.001 0.000 0.191 750 E C 1.828 178.434 176.600 0.011 0.000 0.985 750 E CA 0.711 57.117 56.400 0.010 0.000 0.801 750 E CB -0.033 29.682 29.700 0.025 0.000 0.750 750 E HN 0.196 nan 8.360 nan 0.000 0.452 751 L N 0.981 122.214 121.223 0.017 0.000 2.450 751 L HA -0.159 4.181 4.340 0.001 0.000 0.224 751 L C 1.058 177.932 176.870 0.007 0.000 1.149 751 L CA 0.709 55.559 54.840 0.017 0.000 0.816 751 L CB -0.159 41.916 42.059 0.028 0.000 0.932 751 L HN 0.073 nan 8.230 nan 0.000 0.449 752 Q N 1.093 120.891 119.800 -0.004 0.000 2.938 752 Q HA -0.011 4.329 4.340 0.001 0.000 0.343 752 Q C 0.431 176.426 176.000 -0.008 0.000 1.185 752 Q CA -0.150 55.647 55.803 -0.010 0.000 0.939 752 Q CB -0.096 28.626 28.738 -0.025 0.000 1.480 752 Q HN 0.334 nan 8.270 nan 0.000 0.442 753 Q N -0.597 119.202 119.800 -0.002 0.000 2.375 753 Q HA -0.329 4.011 4.340 0.001 0.000 0.242 753 Q C -0.857 175.142 176.000 -0.003 0.000 0.956 753 Q CA 1.858 57.660 55.803 -0.001 0.000 1.163 753 Q CB -1.721 27.017 28.738 -0.000 0.000 1.680 753 Q HN 0.459 nan 8.270 nan 0.000 0.547 754 K N 0.000 120.397 120.400 -0.005 0.000 2.780 754 K HA 0.000 4.320 4.320 0.001 0.000 0.191 754 K CA 0.000 56.282 56.287 -0.007 0.000 0.838 754 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543