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 2ez8_1_B DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGMNM DTFQEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIP AEDWYASANS YQTPLLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRVAQK PANEALAQAD VVLFVGNNYP FAEVSKAFKN TRYFLQIDID DATA SEQUENCE PAKLGKRHKT DIAVLADAQK TLAAILAQVS ERESTPWWQA NLANVKNWRA DATA SEQUENCE YLASLEDKQE GPLQAYQVLR AVNKIAEPDA IYSIDVGDIN LNANRHLKLT DATA SEQUENCE PSNRHITSNL FATMGVGIPG AIAAKLNYPE RQVFNLAGDG GASMTMQDLA DATA SEQUENCE TQVQYHLPVI NVVFTNCQYG WIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDD 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.737 174.700 0.062 0.000 1.109 9 T CA 0.000 62.129 62.100 0.047 0.000 1.349 9 T CB 0.000 68.889 68.868 0.035 0.000 0.612 10 N N 0.246 118.984 118.700 0.062 0.000 2.362 10 N HA 0.780 5.520 4.740 -0.000 0.000 0.299 10 N C -1.547 174.010 175.510 0.079 0.000 1.170 10 N CA -0.659 52.433 53.050 0.071 0.000 0.825 10 N CB 2.747 41.266 38.487 0.052 0.000 1.299 10 N HN 0.416 nan 8.380 nan 0.000 0.502 11 I N 1.260 121.879 120.570 0.081 0.000 2.802 11 I HA 0.341 4.511 4.170 -0.000 0.000 0.298 11 I C -1.232 174.893 176.117 0.014 0.000 1.176 11 I CA -0.773 60.560 61.300 0.056 0.000 1.025 11 I CB 1.593 39.647 38.000 0.089 0.000 1.243 11 I HN 0.377 nan 8.210 nan 0.000 0.424 12 L N 6.252 127.472 121.223 -0.005 0.000 2.453 12 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 12 L C 1.540 178.358 176.870 -0.085 0.000 1.182 12 L CA 0.165 54.998 54.840 -0.011 0.000 0.858 12 L CB 1.233 43.305 42.059 0.021 0.000 1.120 12 L HN 0.855 nan 8.230 nan 0.000 0.474 13 A N 3.413 126.185 122.820 -0.080 0.000 1.940 13 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 13 A C 2.128 179.586 177.584 -0.210 0.000 1.176 13 A CA 1.855 53.809 52.037 -0.139 0.000 0.631 13 A CB -0.926 18.019 19.000 -0.091 0.000 0.814 13 A HN 0.991 nan 8.150 nan 0.000 0.446 14 G N -0.599 108.081 108.800 -0.200 0.000 2.422 14 G HA2 0.009 3.969 3.960 -0.000 0.000 0.218 14 G HA3 0.009 3.969 3.960 -0.000 0.000 0.218 14 G C 1.723 176.475 174.900 -0.247 0.000 1.146 14 G CA 1.370 46.321 45.100 -0.249 0.000 0.769 14 G HN 0.801 nan 8.290 nan 0.000 0.547 15 A N 1.158 123.852 122.820 -0.210 0.000 1.933 15 A HA 0.284 4.604 4.320 -0.000 0.000 0.218 15 A C 2.807 180.185 177.584 -0.343 0.000 1.175 15 A CA 2.174 54.086 52.037 -0.207 0.000 0.628 15 A CB -0.736 18.188 19.000 -0.128 0.000 0.814 15 A HN 0.756 nan 8.150 nan 0.000 0.444 16 A N -0.540 121.978 122.820 -0.504 0.000 1.902 16 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 16 A C 2.217 179.343 177.584 -0.763 0.000 1.181 16 A CA 1.721 53.156 52.037 -1.004 0.000 0.623 16 A CB -0.937 17.331 19.000 -1.219 0.000 0.818 16 A HN 0.376 nan 8.150 nan 0.000 0.443 17 V N 0.683 120.328 119.914 -0.448 0.000 2.287 17 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 17 V C 2.419 178.367 176.094 -0.244 0.000 1.053 17 V CA 1.921 64.041 62.300 -0.300 0.000 1.027 17 V CB -0.676 31.000 31.823 -0.245 0.000 0.646 17 V HN 0.534 nan 8.190 nan 0.000 0.447 18 I N -0.368 120.056 120.570 -0.243 0.000 2.286 18 I HA -0.139 4.031 4.170 -0.000 0.000 0.248 18 I C 2.392 178.430 176.117 -0.132 0.000 1.115 18 I CA 1.407 62.604 61.300 -0.172 0.000 1.392 18 I CB -1.332 36.572 38.000 -0.158 0.000 1.065 18 I HN 0.298 nan 8.210 nan 0.000 0.418 19 K N 0.712 120.994 120.400 -0.196 0.000 2.148 19 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 19 K C 2.290 178.912 176.600 0.037 0.000 1.050 19 K CA 0.718 56.954 56.287 -0.086 0.000 0.942 19 K CB -0.738 31.680 32.500 -0.137 0.000 0.724 19 K HN 0.213 nan 8.250 nan 0.000 0.446 20 V N 1.954 121.846 119.914 -0.037 0.000 2.295 20 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 20 V C 2.439 178.670 176.094 0.228 0.000 1.049 20 V CA 1.449 63.852 62.300 0.172 0.000 1.024 20 V CB -0.518 31.370 31.823 0.107 0.000 0.648 20 V HN 0.180 nan 8.190 nan 0.000 0.447 21 L N -0.287 120.984 121.223 0.079 0.000 2.012 21 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 21 L C 2.586 179.518 176.870 0.103 0.000 1.073 21 L CA 1.942 56.824 54.840 0.070 0.000 0.748 21 L CB -0.748 41.294 42.059 -0.029 0.000 0.891 21 L HN 0.401 nan 8.230 nan 0.000 0.431 22 E N 0.101 120.336 120.200 0.059 0.000 2.106 22 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 22 E C 2.315 178.954 176.600 0.066 0.000 0.984 22 E CA 1.048 57.473 56.400 0.041 0.000 0.806 22 E CB -0.163 29.547 29.700 0.017 0.000 0.750 22 E HN 0.499 nan 8.360 nan 0.000 0.458 23 A N 0.481 123.359 122.820 0.097 0.000 1.933 23 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 23 A C 1.432 178.972 177.584 -0.074 0.000 1.175 23 A CA 0.969 53.014 52.037 0.012 0.000 0.628 23 A CB -0.830 18.182 19.000 0.020 0.000 0.814 23 A HN 0.365 nan 8.150 nan 0.000 0.444 24 W N -0.918 120.384 121.300 0.003 0.000 3.180 24 W HA 0.362 5.022 4.660 -0.000 0.000 0.254 24 W C 1.541 178.040 176.519 -0.034 0.000 1.318 24 W CA 0.818 58.151 57.345 -0.020 0.000 1.608 24 W CB 0.023 29.482 29.460 -0.002 0.000 1.124 24 W HN 0.570 nan 8.180 nan 0.000 0.694 25 G N 0.301 109.180 108.800 0.131 0.000 2.147 25 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 25 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 25 G C -0.068 174.853 174.900 0.035 0.000 1.005 25 G CA -0.104 45.032 45.100 0.059 0.000 0.713 25 G HN 0.013 nan 8.290 nan 0.000 0.515 26 V N 0.783 120.714 119.914 0.029 0.000 2.425 26 V HA 0.198 4.318 4.120 -0.000 0.000 0.276 26 V C 1.542 177.580 176.094 -0.093 0.000 1.017 26 V CA 1.160 63.425 62.300 -0.057 0.000 1.062 26 V CB 1.176 32.959 31.823 -0.066 0.000 0.997 26 V HN 0.527 nan 8.190 nan 0.000 0.476 27 D N 3.293 123.620 120.400 -0.123 0.000 2.137 27 D HA -0.038 4.602 4.640 -0.000 0.000 0.202 27 D C 0.749 177.049 176.300 0.001 0.000 0.970 27 D CA 1.027 55.012 54.000 -0.025 0.000 0.837 27 D CB 0.321 41.198 40.800 0.129 0.000 0.981 27 D HN 0.810 nan 8.370 nan 0.000 0.475 28 H N -1.431 117.577 119.070 -0.103 0.000 3.016 28 H HA 0.519 5.075 4.556 -0.000 0.000 0.362 28 H C -0.852 174.293 175.328 -0.306 0.000 1.233 28 H CA -1.183 54.752 56.048 -0.187 0.000 1.124 28 H CB 0.826 30.447 29.762 -0.235 0.000 1.850 28 H HN 0.125 nan 8.280 nan 0.000 0.549 29 L N -0.536 120.522 121.223 -0.274 0.000 2.469 29 L HA 0.723 5.063 4.340 -0.000 0.000 0.256 29 L C -2.047 174.662 176.870 -0.267 0.000 1.006 29 L CA -1.149 53.534 54.840 -0.261 0.000 0.832 29 L CB 2.569 44.647 42.059 0.032 0.000 1.421 29 L HN 0.493 nan 8.230 nan 0.000 0.410 30 Y N 0.209 120.560 120.300 0.085 0.000 2.499 30 Y HA 0.977 5.527 4.550 0.000 0.000 0.347 30 Y C 0.594 176.257 175.900 -0.395 0.000 0.987 30 Y CA -0.165 57.889 58.100 -0.076 0.000 1.044 30 Y CB 2.457 40.852 38.460 -0.108 0.000 1.245 30 Y HN 1.042 nan 8.280 nan 0.000 0.461 31 G N 1.103 109.700 108.800 -0.339 0.000 2.320 31 G HA2 0.517 4.477 3.960 -0.000 0.000 0.296 31 G HA3 0.517 4.477 3.960 -0.000 0.000 0.296 31 G C -2.263 172.458 174.900 -0.299 0.000 1.306 31 G CA -0.912 43.593 45.100 -0.992 0.000 0.836 31 G HN 0.506 nan 8.290 nan 0.000 0.517 32 I N 2.124 122.571 120.570 -0.205 0.000 2.498 32 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 32 I C -2.091 174.215 176.117 0.314 0.000 1.032 32 I CA -2.039 59.351 61.300 0.150 0.000 1.073 32 I CB 2.945 40.998 38.000 0.089 0.000 1.251 32 I HN 0.301 nan 8.210 nan 0.000 0.426 33 P HA 0.416 nan 4.420 nan 0.000 0.274 33 P C -0.452 176.949 177.300 0.167 0.000 1.256 33 P CA -0.089 63.164 63.100 0.256 0.000 0.795 33 P CB 1.399 33.196 31.700 0.162 0.000 1.038 34 G N -1.523 107.344 108.800 0.112 0.000 2.646 34 G HA2 0.437 4.397 3.960 -0.000 0.000 0.291 34 G HA3 0.437 4.397 3.960 -0.000 0.000 0.291 34 G C 0.705 175.642 174.900 0.061 0.000 1.445 34 G CA -0.122 45.034 45.100 0.094 0.000 0.814 34 G HN 0.470 nan 8.290 nan 0.000 0.495 35 G N 0.104 108.951 108.800 0.077 0.000 2.469 35 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 35 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 35 G C 2.017 176.918 174.900 0.002 0.000 1.136 35 G CA 2.287 47.422 45.100 0.058 0.000 0.759 35 G HN 1.553 nan 8.290 nan 0.000 0.562 36 S N -0.717 114.987 115.700 0.007 0.000 2.555 36 S HA 0.196 4.666 4.470 -0.000 0.000 0.230 36 S C 1.582 176.123 174.600 -0.099 0.000 0.978 36 S CA 0.731 58.908 58.200 -0.039 0.000 0.934 36 S CB 0.060 63.276 63.200 0.026 0.000 0.766 36 S HN 0.356 nan 8.310 nan 0.000 0.533 37 I N 0.105 120.608 120.570 -0.113 0.000 3.994 37 I HA 0.304 4.474 4.170 -0.000 0.000 0.323 37 I C 0.634 176.571 176.117 -0.301 0.000 1.501 37 I CA -0.110 61.060 61.300 -0.216 0.000 1.112 37 I CB 0.362 38.267 38.000 -0.159 0.000 1.254 37 I HN 0.001 nan 8.210 nan 0.000 0.495 38 N N 0.794 119.349 118.700 -0.242 0.000 2.381 38 N HA -0.121 4.619 4.740 -0.000 0.000 0.182 38 N C 1.964 177.207 175.510 -0.446 0.000 1.025 38 N CA 1.610 54.538 53.050 -0.204 0.000 0.888 38 N CB 0.079 38.584 38.487 0.030 0.000 0.965 38 N HN 0.526 nan 8.380 nan 0.000 0.438 39 S N -0.231 114.890 115.700 -0.965 0.000 2.414 39 S HA 0.061 4.531 4.470 -0.000 0.000 0.227 39 S C 1.902 176.021 174.600 -0.801 0.000 1.022 39 S CA 0.197 57.486 58.200 -1.519 0.000 0.958 39 S CB -0.064 61.685 63.200 -2.418 0.000 0.797 39 S HN 0.059 nan 8.310 nan 0.000 0.493 40 I N 1.929 122.127 120.570 -0.621 0.000 2.252 40 I HA -0.062 4.108 4.170 -0.000 0.000 0.245 40 I C 2.449 178.276 176.117 -0.483 0.000 1.102 40 I CA 1.177 62.169 61.300 -0.513 0.000 1.385 40 I CB -1.102 36.574 38.000 -0.540 0.000 1.064 40 I HN 0.303 nan 8.210 nan 0.000 0.414 41 M N 0.139 119.451 119.600 -0.480 0.000 2.080 41 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 41 M C 2.010 178.168 176.300 -0.236 0.000 1.068 41 M CA 1.667 56.736 55.300 -0.385 0.000 1.109 41 M CB -1.529 30.907 32.600 -0.274 0.000 1.342 41 M HN 0.161 nan 8.290 nan 0.000 0.405 42 D N 0.118 120.416 120.400 -0.170 0.000 2.123 42 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 42 D C 1.906 178.167 176.300 -0.066 0.000 0.992 42 D CA 1.773 55.756 54.000 -0.029 0.000 0.833 42 D CB 0.068 40.970 40.800 0.170 0.000 0.954 42 D HN 0.333 nan 8.370 nan 0.000 0.455 43 A N -0.046 122.681 122.820 -0.156 0.000 1.897 43 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 43 A C 2.487 179.991 177.584 -0.133 0.000 1.181 43 A CA 0.784 52.735 52.037 -0.142 0.000 0.620 43 A CB -0.723 18.157 19.000 -0.200 0.000 0.821 43 A HN 0.311 nan 8.150 nan 0.000 0.443 44 L N -0.613 120.502 121.223 -0.179 0.000 2.042 44 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 44 L C 2.893 179.721 176.870 -0.071 0.000 1.076 44 L CA 1.535 56.288 54.840 -0.146 0.000 0.749 44 L CB -0.403 41.517 42.059 -0.232 0.000 0.893 44 L HN 0.485 nan 8.230 nan 0.000 0.432 45 S N -0.398 115.262 115.700 -0.066 0.000 2.400 45 S HA -0.170 4.300 4.470 -0.000 0.000 0.232 45 S C 1.971 176.577 174.600 0.011 0.000 1.025 45 S CA 1.213 59.410 58.200 -0.005 0.000 0.993 45 S CB -0.069 63.133 63.200 0.004 0.000 0.808 45 S HN 0.461 nan 8.310 nan 0.000 0.478 46 A N 0.197 123.013 122.820 -0.006 0.000 2.167 46 A HA 0.153 4.473 4.320 -0.000 0.000 0.214 46 A C 1.430 179.014 177.584 0.001 0.000 1.151 46 A CA 0.661 52.700 52.037 0.003 0.000 0.735 46 A CB -0.026 18.973 19.000 -0.002 0.000 0.802 46 A HN 0.447 nan 8.150 nan 0.000 0.467 47 E N -0.542 119.652 120.200 -0.009 0.000 2.736 47 E HA 0.155 4.505 4.350 -0.000 0.000 0.208 47 E C 0.844 177.442 176.600 -0.003 0.000 0.996 47 E CA -0.169 56.222 56.400 -0.015 0.000 1.104 47 E CB 0.121 29.794 29.700 -0.045 0.000 1.111 47 E HN 0.544 nan 8.360 nan 0.000 0.455 48 R N 0.318 120.841 120.500 0.038 0.000 2.152 48 R HA -0.127 4.212 4.340 -0.000 0.000 0.232 48 R C 1.551 177.917 176.300 0.109 0.000 1.117 48 R CA 1.244 57.399 56.100 0.091 0.000 0.981 48 R CB 0.093 30.465 30.300 0.120 0.000 0.870 48 R HN 0.056 nan 8.270 nan 0.000 0.451 49 D N 0.322 120.764 120.400 0.070 0.000 2.183 49 D HA -0.095 4.545 4.640 -0.000 0.000 0.203 49 D C 1.597 177.915 176.300 0.032 0.000 0.969 49 D CA 1.114 55.167 54.000 0.088 0.000 0.842 49 D CB 0.277 41.114 40.800 0.061 0.000 0.957 49 D HN 0.049 nan 8.370 nan 0.000 0.484 50 R N -0.974 119.487 120.500 -0.066 0.000 2.307 50 R HA 0.380 4.720 4.340 -0.000 0.000 0.200 50 R C -0.008 176.121 176.300 -0.285 0.000 0.893 50 R CA -0.054 55.972 56.100 -0.124 0.000 1.042 50 R CB 1.415 31.681 30.300 -0.056 0.000 1.059 50 R HN 0.165 nan 8.270 nan 0.000 0.530 51 I N 0.611 120.968 120.570 -0.355 0.000 2.607 51 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 51 I C -1.422 174.484 176.117 -0.352 0.000 1.129 51 I CA -0.881 60.194 61.300 -0.376 0.000 1.042 51 I CB 1.855 39.760 38.000 -0.158 0.000 1.242 51 I HN 0.108 nan 8.210 nan 0.000 0.421 52 H N 6.593 125.693 119.070 0.050 0.000 2.623 52 H HA 0.228 4.784 4.556 -0.000 0.000 0.299 52 H C -1.208 174.150 175.328 0.050 0.000 1.052 52 H CA -0.461 55.618 56.048 0.052 0.000 1.231 52 H CB 0.806 30.576 29.762 0.014 0.000 1.389 52 H HN 0.439 nan 8.280 nan 0.000 0.469 53 Y N 4.888 125.234 120.300 0.076 0.000 2.359 53 Y HA 0.193 4.743 4.550 -0.000 0.000 0.334 53 Y C -0.849 175.037 175.900 -0.023 0.000 1.058 53 Y CA -1.175 56.951 58.100 0.043 0.000 1.244 53 Y CB 0.417 38.943 38.460 0.110 0.000 1.187 53 Y HN 0.504 nan 8.280 nan 0.000 0.510 54 I N 7.548 127.689 120.570 -0.716 0.000 2.359 54 I HA 0.151 4.321 4.170 -0.000 0.000 0.284 54 I C -0.158 175.450 176.117 -0.848 0.000 1.018 54 I CA -0.651 60.116 61.300 -0.888 0.000 1.173 54 I CB 1.107 38.712 38.000 -0.660 0.000 1.326 54 I HN 0.626 nan 8.210 nan 0.000 0.462 55 Q N 7.096 126.459 119.800 -0.729 0.000 2.324 55 Q HA 0.266 4.606 4.340 -0.000 0.000 0.257 55 Q C -0.577 175.439 176.000 0.026 0.000 1.080 55 Q CA -0.147 55.495 55.803 -0.268 0.000 0.907 55 Q CB 1.137 29.875 28.738 -0.001 0.000 1.274 55 Q HN 0.599 nan 8.270 nan 0.000 0.434 56 V N 2.948 122.875 119.914 0.021 0.000 3.134 56 V HA 0.448 4.568 4.120 -0.000 0.000 0.313 56 V C 0.821 176.959 176.094 0.075 0.000 1.069 56 V CA -0.640 61.696 62.300 0.059 0.000 1.048 56 V CB 1.309 33.148 31.823 0.027 0.000 1.119 56 V HN 0.696 nan 8.190 nan 0.000 0.461 57 R N -0.440 120.108 120.500 0.080 0.000 2.290 57 R HA 0.296 4.636 4.340 -0.000 0.000 0.197 57 R C 0.210 176.584 176.300 0.122 0.000 0.913 57 R CA 0.355 56.509 56.100 0.089 0.000 1.040 57 R CB -0.417 29.929 30.300 0.077 0.000 0.992 57 R HN 0.937 nan 8.270 nan 0.000 0.500 58 H N 0.093 119.157 119.070 -0.010 0.000 2.947 58 H HA 0.185 4.741 4.556 -0.000 0.000 0.354 58 H C -0.190 175.103 175.328 -0.057 0.000 1.085 58 H CA -0.225 55.795 56.048 -0.046 0.000 1.253 58 H CB 1.757 31.447 29.762 -0.120 0.000 1.757 58 H HN -0.207 nan 8.280 nan 0.000 0.523 59 E N 2.226 122.461 120.200 0.058 0.000 2.265 59 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 59 E C 1.787 178.463 176.600 0.127 0.000 0.996 59 E CA 1.316 57.763 56.400 0.078 0.000 0.832 59 E CB 0.186 29.934 29.700 0.080 0.000 0.756 59 E HN 0.781 nan 8.360 nan 0.000 0.491 60 E N 0.650 121.019 120.200 0.282 0.000 2.153 60 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 60 E C 1.831 178.424 176.600 -0.011 0.000 0.988 60 E CA 1.329 57.792 56.400 0.105 0.000 0.811 60 E CB -0.213 29.494 29.700 0.011 0.000 0.746 60 E HN 0.126 nan 8.360 nan 0.000 0.466 61 V N 1.624 121.520 119.914 -0.030 0.000 2.343 61 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 61 V C 2.553 178.518 176.094 -0.214 0.000 1.051 61 V CA 1.928 64.163 62.300 -0.108 0.000 1.036 61 V CB -0.926 30.851 31.823 -0.076 0.000 0.654 61 V HN 0.564 nan 8.190 nan 0.000 0.451 62 G N -0.297 108.398 108.800 -0.176 0.000 2.446 62 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 62 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 62 G C 1.774 176.517 174.900 -0.261 0.000 1.168 62 G CA 1.111 46.050 45.100 -0.268 0.000 0.771 62 G HN 0.605 nan 8.290 nan 0.000 0.551 63 A N 0.520 123.271 122.820 -0.115 0.000 1.902 63 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 63 A C 2.473 179.996 177.584 -0.101 0.000 1.181 63 A CA 1.818 53.814 52.037 -0.069 0.000 0.623 63 A CB -0.345 18.653 19.000 -0.003 0.000 0.818 63 A HN 0.383 nan 8.150 nan 0.000 0.443 64 M N -0.581 118.952 119.600 -0.112 0.000 2.175 64 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 64 M C 2.439 178.642 176.300 -0.161 0.000 1.063 64 M CA 1.314 56.555 55.300 -0.097 0.000 1.119 64 M CB -0.299 32.259 32.600 -0.071 0.000 1.377 64 M HN 0.476 nan 8.290 nan 0.000 0.415 65 A N 0.247 122.866 122.820 -0.335 0.000 1.929 65 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 65 A C 2.361 179.783 177.584 -0.270 0.000 1.176 65 A CA 1.578 53.341 52.037 -0.457 0.000 0.628 65 A CB -0.798 17.590 19.000 -1.020 0.000 0.816 65 A HN 0.462 nan 8.150 nan 0.000 0.444 66 A N 0.125 122.816 122.820 -0.214 0.000 1.902 66 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 66 A C 2.503 180.090 177.584 0.005 0.000 1.181 66 A CA 2.119 54.200 52.037 0.072 0.000 0.623 66 A CB -1.033 18.023 19.000 0.093 0.000 0.818 66 A HN 1.027 nan 8.150 nan 0.000 0.443 67 A N -0.110 122.686 122.820 -0.041 0.000 1.877 67 A HA 0.123 4.443 4.320 -0.000 0.000 0.216 67 A C 2.526 180.099 177.584 -0.018 0.000 1.186 67 A CA 2.252 54.265 52.037 -0.040 0.000 0.620 67 A CB -1.085 17.888 19.000 -0.045 0.000 0.822 67 A HN 1.110 nan 8.150 nan 0.000 0.443 68 A N -0.136 122.678 122.820 -0.010 0.000 1.902 68 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 68 A C 1.806 179.431 177.584 0.068 0.000 1.181 68 A CA 1.865 53.916 52.037 0.024 0.000 0.623 68 A CB -0.641 18.371 19.000 0.020 0.000 0.818 68 A HN 0.489 nan 8.150 nan 0.000 0.443 69 D N 0.118 120.576 120.400 0.096 0.000 2.116 69 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 69 D C 2.244 178.584 176.300 0.067 0.000 0.998 69 D CA 1.813 55.886 54.000 0.121 0.000 0.836 69 D CB -0.391 40.484 40.800 0.124 0.000 0.951 69 D HN 0.440 nan 8.370 nan 0.000 0.449 70 A N 0.964 123.800 122.820 0.026 0.000 1.930 70 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 70 A C 2.079 179.682 177.584 0.032 0.000 1.175 70 A CA 1.308 53.350 52.037 0.009 0.000 0.627 70 A CB -0.305 18.668 19.000 -0.045 0.000 0.815 70 A HN 0.150 nan 8.150 nan 0.000 0.443 71 K N -0.330 120.082 120.400 0.021 0.000 2.063 71 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 71 K C 1.813 178.448 176.600 0.058 0.000 1.048 71 K CA 1.595 57.892 56.287 0.017 0.000 0.928 71 K CB -0.398 32.099 32.500 -0.006 0.000 0.713 71 K HN 0.468 nan 8.250 nan 0.000 0.442 72 L N 0.115 121.400 121.223 0.102 0.000 2.095 72 L HA -0.111 4.229 4.340 -0.000 0.000 0.204 72 L C 2.572 179.566 176.870 0.206 0.000 1.080 72 L CA 1.526 56.472 54.840 0.177 0.000 0.759 72 L CB -0.420 41.806 42.059 0.280 0.000 0.914 72 L HN 0.371 nan 8.230 nan 0.000 0.439 73 T N -5.238 109.412 114.554 0.160 0.000 2.990 73 T HA 0.262 4.612 4.350 -0.000 0.000 0.249 73 T C 1.495 176.273 174.700 0.131 0.000 1.039 73 T CA 0.519 62.709 62.100 0.151 0.000 1.036 73 T CB 0.883 69.801 68.868 0.084 0.000 0.994 73 T HN 0.384 nan 8.240 nan 0.000 0.489 74 G N 1.680 110.553 108.800 0.121 0.000 2.184 74 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.264 74 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.264 74 G C -0.039 174.982 174.900 0.201 0.000 0.975 74 G CA 0.371 45.560 45.100 0.148 0.000 0.642 74 G HN 0.688 nan 8.290 nan 0.000 0.536 75 K N -0.017 120.470 120.400 0.146 0.000 2.110 75 K HA 0.598 4.918 4.320 -0.000 0.000 0.263 75 K C 0.652 177.240 176.600 -0.021 0.000 0.975 75 K CA -0.985 55.403 56.287 0.169 0.000 0.895 75 K CB 2.041 34.607 32.500 0.110 0.000 1.060 75 K HN 0.240 nan 8.250 nan 0.000 0.448 76 I N 1.963 122.396 120.570 -0.229 0.000 2.826 76 I HA -0.072 4.098 4.170 -0.000 0.000 0.295 76 I C 0.408 176.393 176.117 -0.220 0.000 1.213 76 I CA 0.550 61.592 61.300 -0.430 0.000 1.436 76 I CB 0.368 37.923 38.000 -0.742 0.000 1.348 76 I HN 0.686 nan 8.210 nan 0.000 0.570 77 G N 6.306 115.005 108.800 -0.169 0.000 2.420 77 G HA2 0.531 4.491 3.960 -0.000 0.000 0.284 77 G HA3 0.531 4.491 3.960 -0.000 0.000 0.284 77 G C -1.103 173.749 174.900 -0.081 0.000 1.177 77 G CA -0.434 44.617 45.100 -0.083 0.000 0.841 77 G HN 0.520 nan 8.290 nan 0.000 0.527 78 V N 0.827 120.729 119.914 -0.019 0.000 2.577 78 V HA 0.554 4.674 4.120 -0.000 0.000 0.303 78 V C 0.173 176.344 176.094 0.127 0.000 1.042 78 V CA -0.762 61.538 62.300 0.000 0.000 0.872 78 V CB 0.939 32.734 31.823 -0.046 0.000 0.998 78 V HN 1.233 nan 8.190 nan 0.000 0.423 79 C N 3.525 122.897 119.300 0.120 0.000 3.154 79 C HA 1.025 5.485 4.460 -0.000 0.000 0.312 79 C C -0.912 174.184 174.990 0.177 0.000 1.349 79 C CA -0.991 58.114 59.018 0.146 0.000 1.518 79 C CB 1.422 29.211 27.740 0.082 0.000 1.934 79 C HN 1.006 nan 8.230 nan 0.000 0.462 80 F N -0.604 119.385 119.950 0.065 0.000 2.662 80 F HA 0.940 5.467 4.527 -0.000 0.000 0.312 80 F C -0.326 175.498 175.800 0.040 0.000 1.113 80 F CA -0.421 57.585 58.000 0.011 0.000 0.951 80 F CB 1.411 40.395 39.000 -0.026 0.000 1.344 80 F HN 1.160 nan 8.300 nan 0.000 0.462 81 G N 0.537 109.478 108.800 0.235 0.000 2.719 81 G HA2 0.534 4.494 3.960 -0.000 0.000 0.298 81 G HA3 0.534 4.494 3.960 -0.000 0.000 0.298 81 G C -1.337 173.674 174.900 0.185 0.000 1.411 81 G CA -0.560 44.631 45.100 0.152 0.000 0.991 81 G HN 1.064 nan 8.290 nan 0.000 0.509 82 S N 0.623 116.419 115.700 0.160 0.000 2.596 82 S HA 0.622 5.092 4.470 -0.000 0.000 0.260 82 S C 1.011 175.651 174.600 0.068 0.000 1.336 82 S CA 0.174 58.438 58.200 0.107 0.000 0.993 82 S CB 1.063 64.323 63.200 0.099 0.000 0.923 82 S HN 1.935 nan 8.310 nan 0.000 0.567 83 A N 1.145 123.996 122.820 0.052 0.000 2.561 83 A HA 0.514 4.834 4.320 -0.000 0.000 0.234 83 A C 1.520 179.115 177.584 0.019 0.000 1.055 83 A CA 0.332 52.398 52.037 0.048 0.000 0.756 83 A CB -1.484 17.553 19.000 0.061 0.000 0.986 83 A HN 2.468 nan 8.150 nan 0.000 0.505 84 G N 2.217 111.032 108.800 0.025 0.000 2.557 84 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.292 84 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.292 84 G C -0.646 174.237 174.900 -0.029 0.000 1.162 84 G CA 0.397 45.483 45.100 -0.022 0.000 0.964 84 G HN 0.852 nan 8.290 nan 0.000 0.541 85 P HA -0.018 nan 4.420 nan 0.000 0.220 85 P C 1.899 179.083 177.300 -0.195 0.000 1.148 85 P CA 2.532 65.520 63.100 -0.188 0.000 0.803 85 P CB -0.657 30.908 31.700 -0.225 0.000 0.782 86 G N 0.588 109.351 108.800 -0.062 0.000 2.414 86 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 86 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 86 G C 1.892 176.843 174.900 0.085 0.000 1.188 86 G CA 0.901 46.011 45.100 0.016 0.000 0.783 86 G HN 0.352 nan 8.290 nan 0.000 0.537 87 G N 0.572 109.443 108.800 0.118 0.000 2.418 87 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 87 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 87 G C 2.018 177.095 174.900 0.294 0.000 1.158 87 G CA 2.259 47.488 45.100 0.216 0.000 0.771 87 G HN 0.586 nan 8.290 nan 0.000 0.545 88 T N -2.140 112.523 114.554 0.183 0.000 2.881 88 T HA -0.112 4.238 4.350 -0.000 0.000 0.270 88 T C 1.925 176.749 174.700 0.205 0.000 1.068 88 T CA 1.503 63.679 62.100 0.127 0.000 1.131 88 T CB -0.679 68.197 68.868 0.014 0.000 0.871 88 T HN 0.547 nan 8.240 nan 0.000 0.479 89 H N 0.777 119.902 119.070 0.092 0.000 2.457 89 H HA 0.101 4.657 4.556 -0.000 0.000 0.297 89 H C 1.971 177.393 175.328 0.157 0.000 1.092 89 H CA 0.887 57.003 56.048 0.114 0.000 1.309 89 H CB -0.203 29.552 29.762 -0.012 0.000 1.382 89 H HN 0.317 nan 8.280 nan 0.000 0.535 90 L N -0.047 121.330 121.223 0.257 0.000 2.265 90 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 90 L C 2.241 179.220 176.870 0.181 0.000 1.117 90 L CA 0.194 55.142 54.840 0.180 0.000 0.782 90 L CB -0.230 41.922 42.059 0.155 0.000 0.914 90 L HN 0.379 nan 8.230 nan 0.000 0.441 91 M N -0.158 119.580 119.600 0.230 0.000 2.106 91 M HA -0.233 4.247 4.480 -0.000 0.000 0.259 91 M C 1.889 178.351 176.300 0.271 0.000 1.068 91 M CA 1.781 57.241 55.300 0.268 0.000 1.100 91 M CB -1.347 31.410 32.600 0.261 0.000 1.351 91 M HN 0.293 nan 8.290 nan 0.000 0.404 92 N N 0.190 119.028 118.700 0.229 0.000 2.188 92 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 92 N C 1.793 177.415 175.510 0.186 0.000 1.018 92 N CA 1.543 54.764 53.050 0.286 0.000 0.858 92 N CB -0.612 38.023 38.487 0.246 0.000 0.989 92 N HN 0.477 nan 8.380 nan 0.000 0.426 93 G N 0.498 109.358 108.800 0.100 0.000 2.402 93 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 93 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 93 G C 1.419 176.305 174.900 -0.024 0.000 1.162 93 G CA 0.372 45.490 45.100 0.029 0.000 0.777 93 G HN 0.204 nan 8.290 nan 0.000 0.539 94 L N -1.159 120.049 121.223 -0.024 0.000 2.093 94 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 94 L C 2.646 179.346 176.870 -0.283 0.000 1.085 94 L CA 0.853 55.621 54.840 -0.120 0.000 0.755 94 L CB -0.506 41.502 42.059 -0.085 0.000 0.904 94 L HN 0.150 nan 8.230 nan 0.000 0.435 95 Y N 0.298 120.378 120.300 -0.367 0.000 2.242 95 Y HA -0.268 4.282 4.550 -0.000 0.000 0.291 95 Y C 2.430 177.905 175.900 -0.708 0.000 1.137 95 Y CA 1.688 59.336 58.100 -0.754 0.000 1.181 95 Y CB -0.263 37.263 38.460 -1.557 0.000 0.989 95 Y HN 0.243 nan 8.280 nan 0.000 0.527 96 D N -0.288 119.928 120.400 -0.307 0.000 2.097 96 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 96 D C 2.231 178.488 176.300 -0.072 0.000 0.989 96 D CA 1.450 55.426 54.000 -0.039 0.000 0.827 96 D CB -0.248 40.604 40.800 0.086 0.000 0.966 96 D HN 0.236 nan 8.370 nan 0.000 0.456 97 A N 0.358 123.116 122.820 -0.105 0.000 1.902 97 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 97 A C 2.296 179.818 177.584 -0.102 0.000 1.181 97 A CA 1.724 53.701 52.037 -0.101 0.000 0.623 97 A CB -0.669 18.269 19.000 -0.103 0.000 0.818 97 A HN 0.264 nan 8.150 nan 0.000 0.443 98 R N -0.522 119.888 120.500 -0.149 0.000 2.070 98 R HA -0.136 4.204 4.340 -0.000 0.000 0.233 98 R C 1.890 178.172 176.300 -0.030 0.000 1.137 98 R CA 1.623 57.654 56.100 -0.115 0.000 0.945 98 R CB -0.219 29.949 30.300 -0.220 0.000 0.845 98 R HN 0.446 nan 8.270 nan 0.000 0.430 99 E N 0.585 120.766 120.200 -0.031 0.000 2.106 99 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 99 E C 1.064 177.686 176.600 0.036 0.000 0.984 99 E CA 1.032 57.468 56.400 0.059 0.000 0.806 99 E CB -0.112 29.671 29.700 0.138 0.000 0.750 99 E HN 0.384 nan 8.360 nan 0.000 0.458 100 D N 0.013 120.370 120.400 -0.072 0.000 2.328 100 D HA -0.021 4.619 4.640 -0.000 0.000 0.226 100 D C -0.408 175.521 176.300 -0.619 0.000 1.066 100 D CA 0.197 54.022 54.000 -0.292 0.000 0.861 100 D CB -0.590 40.098 40.800 -0.187 0.000 0.912 100 D HN 0.349 nan 8.370 nan 0.000 0.521 101 H N -2.128 116.945 119.070 0.006 0.000 2.506 101 H HA -0.148 4.408 4.556 -0.000 0.000 0.323 101 H C -0.628 174.704 175.328 0.005 0.000 1.076 101 H CA 0.300 56.352 56.048 0.007 0.000 1.108 101 H CB -2.620 27.156 29.762 0.024 0.000 1.569 101 H HN 0.007 nan 8.280 nan 0.000 0.399 102 V N -2.587 117.318 119.914 -0.014 0.000 2.769 102 V HA 0.764 4.884 4.120 -0.000 0.000 0.312 102 V C -2.394 173.664 176.094 -0.060 0.000 1.061 102 V CA -2.592 59.696 62.300 -0.020 0.000 0.931 102 V CB 2.581 34.372 31.823 -0.053 0.000 1.010 102 V HN 0.274 nan 8.190 nan 0.000 0.433 103 P HA 0.339 nan 4.420 nan 0.000 0.276 103 P C -0.792 176.360 177.300 -0.247 0.000 1.253 103 P CA 0.103 63.059 63.100 -0.240 0.000 0.766 103 P CB 1.305 32.715 31.700 -0.483 0.000 0.845 104 V N 5.149 124.938 119.914 -0.209 0.000 2.686 104 V HA 0.300 4.420 4.120 -0.000 0.000 0.306 104 V C -0.236 175.755 176.094 -0.172 0.000 1.065 104 V CA -0.834 61.363 62.300 -0.172 0.000 0.894 104 V CB 2.342 34.098 31.823 -0.113 0.000 1.004 104 V HN 0.374 nan 8.190 nan 0.000 0.424 105 L N 4.539 125.663 121.223 -0.166 0.000 2.296 105 L HA 0.931 5.271 4.340 -0.000 0.000 0.286 105 L C 0.078 176.895 176.870 -0.088 0.000 1.023 105 L CA -0.042 54.712 54.840 -0.143 0.000 0.812 105 L CB 1.280 43.235 42.059 -0.175 0.000 1.223 105 L HN 0.793 nan 8.230 nan 0.000 0.421 106 A N 6.529 129.294 122.820 -0.092 0.000 2.304 106 A HA 0.710 5.030 4.320 -0.000 0.000 0.314 106 A C -1.115 176.409 177.584 -0.100 0.000 1.187 106 A CA -0.572 51.419 52.037 -0.077 0.000 0.810 106 A CB 0.574 19.505 19.000 -0.115 0.000 1.183 106 A HN 0.723 nan 8.150 nan 0.000 0.487 107 L N 3.662 124.870 121.223 -0.025 0.000 2.289 107 L HA 0.496 4.836 4.340 -0.000 0.000 0.285 107 L C -0.696 176.151 176.870 -0.038 0.000 1.049 107 L CA -0.680 54.128 54.840 -0.054 0.000 0.804 107 L CB 1.226 43.253 42.059 -0.053 0.000 1.195 107 L HN 0.473 nan 8.230 nan 0.000 0.428 108 I N 2.324 122.821 120.570 -0.121 0.000 2.406 108 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 108 I C 0.844 176.923 176.117 -0.063 0.000 0.999 108 I CA -0.374 60.865 61.300 -0.102 0.000 1.124 108 I CB 1.262 39.124 38.000 -0.230 0.000 1.289 108 I HN 0.591 nan 8.210 nan 0.000 0.441 109 G N 4.538 113.329 108.800 -0.015 0.000 2.559 109 G HA2 0.269 4.229 3.960 -0.000 0.000 0.235 109 G HA3 0.269 4.229 3.960 -0.000 0.000 0.235 109 G C -0.372 174.526 174.900 -0.003 0.000 1.266 109 G CA 0.177 45.261 45.100 -0.027 0.000 0.847 109 G HN 0.612 nan 8.290 nan 0.000 0.583 110 Q N -0.001 119.795 119.800 -0.005 0.000 2.418 110 Q HA 0.516 4.856 4.340 -0.000 0.000 0.282 110 Q C -1.142 174.908 176.000 0.083 0.000 1.044 110 Q CA -0.918 54.917 55.803 0.053 0.000 0.813 110 Q CB 1.352 30.113 28.738 0.038 0.000 1.428 110 Q HN 0.448 nan 8.270 nan 0.000 0.402 111 F N 1.245 121.200 119.950 0.009 0.000 2.539 111 F HA 0.536 5.063 4.527 0.000 0.000 0.340 111 F C 1.141 176.956 175.800 0.025 0.000 1.185 111 F CA 1.325 59.343 58.000 0.031 0.000 1.333 111 F CB 0.646 39.670 39.000 0.041 0.000 1.152 111 F HN 0.632 nan 8.300 nan 0.000 0.602 112 G N 1.875 110.611 108.800 -0.107 0.000 2.559 112 G HA2 0.166 4.126 3.960 -0.000 0.000 0.235 112 G HA3 0.166 4.126 3.960 -0.000 0.000 0.235 112 G C 0.875 175.892 174.900 0.196 0.000 1.266 112 G CA 0.050 45.166 45.100 0.028 0.000 0.847 112 G HN 0.939 nan 8.290 nan 0.000 0.583 113 T N -1.949 112.674 114.554 0.115 0.000 2.897 113 T HA -0.227 4.123 4.350 -0.000 0.000 0.271 113 T C 2.234 177.007 174.700 0.123 0.000 1.084 113 T CA 2.086 64.251 62.100 0.107 0.000 1.123 113 T CB -0.617 68.289 68.868 0.064 0.000 0.865 113 T HN 0.707 nan 8.240 nan 0.000 0.496 114 T N -1.857 112.786 114.554 0.147 0.000 3.055 114 T HA 0.271 4.621 4.350 -0.000 0.000 0.265 114 T C 2.012 176.817 174.700 0.175 0.000 1.111 114 T CA 0.703 62.885 62.100 0.137 0.000 1.118 114 T CB -0.401 68.541 68.868 0.123 0.000 0.909 114 T HN 0.498 nan 8.240 nan 0.000 0.501 115 G N 0.237 109.219 108.800 0.302 0.000 2.944 115 G HA2 0.383 4.343 3.960 -0.000 0.000 0.220 115 G HA3 0.383 4.343 3.960 -0.000 0.000 0.220 115 G C 0.399 175.281 174.900 -0.029 0.000 1.100 115 G CA -0.612 44.591 45.100 0.172 0.000 0.780 115 G HN 0.405 nan 8.290 nan 0.000 0.539 116 M N 1.384 121.055 119.600 0.118 0.000 2.250 116 M HA 0.079 4.559 4.480 -0.000 0.000 0.337 116 M C 0.569 176.860 176.300 -0.015 0.000 1.161 116 M CA 0.368 55.693 55.300 0.041 0.000 1.088 116 M CB 0.240 32.889 32.600 0.081 0.000 1.639 116 M HN 0.147 nan 8.290 nan 0.000 0.447 117 N N 0.715 119.392 118.700 -0.040 0.000 2.800 117 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 117 N C -0.084 175.394 175.510 -0.053 0.000 1.078 117 N CA 0.885 53.913 53.050 -0.037 0.000 0.804 117 N CB -0.699 37.780 38.487 -0.013 0.000 1.135 117 N HN 0.619 nan 8.380 nan 0.000 0.565 118 M N 0.080 119.624 119.600 -0.094 0.000 2.428 118 M HA 0.079 4.559 4.480 -0.000 0.000 0.239 118 M C -0.168 176.069 176.300 -0.104 0.000 1.121 118 M CA 0.257 55.500 55.300 -0.095 0.000 1.019 118 M CB -0.482 32.048 32.600 -0.116 0.000 1.485 118 M HN -0.026 nan 8.290 nan 0.000 0.484 119 D N 1.629 121.963 120.400 -0.112 0.000 2.697 119 D HA -0.144 4.496 4.640 -0.000 0.000 0.238 119 D C 0.457 176.687 176.300 -0.116 0.000 1.152 119 D CA 0.890 54.831 54.000 -0.098 0.000 0.666 119 D CB -0.972 39.793 40.800 -0.058 0.000 1.037 119 D HN 0.289 nan 8.370 nan 0.000 0.423 120 T N -1.096 113.331 114.554 -0.212 0.000 2.888 120 T HA 0.451 4.801 4.350 -0.000 0.000 0.283 120 T C -0.067 174.574 174.700 -0.099 0.000 1.013 120 T CA -0.696 61.273 62.100 -0.219 0.000 0.938 120 T CB 0.591 69.164 68.868 -0.491 0.000 1.298 120 T HN 0.079 nan 8.240 nan 0.000 0.580 121 F N 1.829 121.699 119.950 -0.133 0.000 2.578 121 F HA 0.227 4.754 4.527 -0.000 0.000 0.381 121 F C 1.316 177.139 175.800 0.038 0.000 1.069 121 F CA 0.362 58.359 58.000 -0.006 0.000 1.231 121 F CB -0.103 38.941 39.000 0.072 0.000 1.086 121 F HN 0.844 nan 8.300 nan 0.000 0.564 122 Q N 1.948 121.381 119.800 -0.612 0.000 2.461 122 Q HA -0.287 4.052 4.340 -0.000 0.000 0.264 122 Q C -0.618 175.299 176.000 -0.139 0.000 1.085 122 Q CA 1.198 56.727 55.803 -0.457 0.000 1.006 122 Q CB -0.806 27.589 28.738 -0.572 0.000 1.437 122 Q HN 0.718 nan 8.270 nan 0.000 0.514 123 E N 1.019 121.148 120.200 -0.117 0.000 2.165 123 E HA 0.518 4.868 4.350 -0.000 0.000 0.266 123 E C -0.445 176.112 176.600 -0.073 0.000 0.889 123 E CA -0.380 55.977 56.400 -0.073 0.000 0.756 123 E CB 0.834 30.407 29.700 -0.212 0.000 1.131 123 E HN 0.407 nan 8.360 nan 0.000 0.411 124 M N 2.466 122.047 119.600 -0.032 0.000 2.721 124 M HA 0.432 4.912 4.480 -0.000 0.000 0.271 124 M C -1.135 175.163 176.300 -0.003 0.000 1.259 124 M CA -1.090 54.193 55.300 -0.029 0.000 0.835 124 M CB 1.365 33.944 32.600 -0.035 0.000 1.689 124 M HN 0.167 nan 8.290 nan 0.000 0.470 125 N N 1.557 120.254 118.700 -0.005 0.000 2.399 125 N HA 0.141 4.881 4.740 -0.000 0.000 0.259 125 N C -0.155 175.368 175.510 0.021 0.000 1.160 125 N CA 0.409 53.464 53.050 0.008 0.000 0.946 125 N CB 0.419 38.906 38.487 -0.000 0.000 1.156 125 N HN 0.750 nan 8.380 nan 0.000 0.489 126 E N 1.996 122.227 120.200 0.051 0.000 2.442 126 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 126 E C 1.045 177.734 176.600 0.149 0.000 1.030 126 E CA -0.056 56.409 56.400 0.108 0.000 0.869 126 E CB 0.111 29.906 29.700 0.159 0.000 0.857 126 E HN 0.643 nan 8.360 nan 0.000 0.505 127 N N 1.495 120.247 118.700 0.086 0.000 2.120 127 N HA -0.097 4.643 4.740 -0.000 0.000 0.188 127 N C -0.948 174.603 175.510 0.068 0.000 1.024 127 N CA 1.076 54.175 53.050 0.081 0.000 0.852 127 N CB -0.321 38.179 38.487 0.022 0.000 1.003 127 N HN 0.080 nan 8.380 nan 0.000 0.424 128 P HA -0.010 nan 4.420 nan 0.000 0.222 128 P C 1.411 178.673 177.300 -0.063 0.000 1.147 128 P CA 0.694 63.788 63.100 -0.011 0.000 0.790 128 P CB -0.046 31.643 31.700 -0.019 0.000 0.780 129 I N -2.169 118.321 120.570 -0.133 0.000 2.286 129 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 129 I C 1.459 177.253 176.117 -0.538 0.000 1.115 129 I CA 1.725 62.788 61.300 -0.395 0.000 1.392 129 I CB -0.600 37.023 38.000 -0.628 0.000 1.065 129 I HN -0.012 nan 8.210 nan 0.000 0.418 130 Y N -0.024 120.272 120.300 -0.006 0.000 2.458 130 Y HA 0.370 4.920 4.550 0.000 0.000 0.256 130 Y C 2.257 178.128 175.900 -0.047 0.000 1.159 130 Y CA 0.204 58.285 58.100 -0.030 0.000 1.261 130 Y CB -0.384 38.045 38.460 -0.051 0.000 1.119 130 Y HN 0.001 nan 8.280 nan 0.000 0.524 131 A N 0.417 123.264 122.820 0.046 0.000 1.908 131 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 131 A C 1.845 179.436 177.584 0.011 0.000 1.181 131 A CA 2.414 54.464 52.037 0.022 0.000 0.627 131 A CB -0.660 18.346 19.000 0.010 0.000 0.818 131 A HN 0.465 nan 8.150 nan 0.000 0.445 132 D N -1.194 119.218 120.400 0.019 0.000 2.103 132 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 132 D C 1.711 177.979 176.300 -0.054 0.000 0.978 132 D CA 1.323 55.343 54.000 0.034 0.000 0.829 132 D CB -0.089 40.786 40.800 0.125 0.000 0.981 132 D HN 0.099 nan 8.370 nan 0.000 0.464 133 V N -0.271 119.531 119.914 -0.187 0.000 2.667 133 V HA 0.221 4.341 4.120 -0.000 0.000 0.252 133 V C 0.718 176.651 176.094 -0.269 0.000 1.065 133 V CA 1.032 63.016 62.300 -0.527 0.000 1.083 133 V CB -0.371 30.932 31.823 -0.866 0.000 0.692 133 V HN 0.334 nan 8.190 nan 0.000 0.468 134 A N -0.270 122.482 122.820 -0.114 0.000 2.305 134 A HA 0.394 4.714 4.320 -0.000 0.000 0.322 134 A C 0.752 178.331 177.584 -0.009 0.000 1.187 134 A CA 0.183 52.188 52.037 -0.054 0.000 0.825 134 A CB 1.017 20.009 19.000 -0.012 0.000 1.164 134 A HN 0.435 nan 8.150 nan 0.000 0.498 135 D N 0.173 120.589 120.400 0.028 0.000 2.183 135 D HA -0.074 4.566 4.640 -0.000 0.000 0.203 135 D C -0.184 176.222 176.300 0.177 0.000 0.969 135 D CA 1.496 55.549 54.000 0.088 0.000 0.842 135 D CB 0.028 40.906 40.800 0.130 0.000 0.957 135 D HN 0.476 nan 8.370 nan 0.000 0.484 136 Y N 0.017 120.316 120.300 -0.001 0.000 2.386 136 Y HA 0.500 5.050 4.550 -0.000 0.000 0.334 136 Y C -1.662 174.222 175.900 -0.026 0.000 1.002 136 Y CA -1.470 56.627 58.100 -0.005 0.000 1.068 136 Y CB 1.369 39.819 38.460 -0.017 0.000 1.203 136 Y HN -0.181 nan 8.280 nan 0.000 0.443 137 N N 5.041 123.492 118.700 -0.415 0.000 2.621 137 N HA 0.502 5.242 4.740 -0.000 0.000 0.271 137 N C -2.295 172.998 175.510 -0.362 0.000 1.181 137 N CA -0.348 52.527 53.050 -0.293 0.000 0.805 137 N CB 1.150 39.580 38.487 -0.094 0.000 1.351 137 N HN 0.537 nan 8.380 nan 0.000 0.539 138 V N -0.046 119.622 119.914 -0.410 0.000 2.925 138 V HA 0.729 4.849 4.120 -0.000 0.000 0.311 138 V C -0.253 175.737 176.094 -0.174 0.000 1.104 138 V CA -0.660 61.454 62.300 -0.310 0.000 0.954 138 V CB 1.656 33.228 31.823 -0.418 0.000 1.022 138 V HN 0.377 nan 8.190 nan 0.000 0.427 139 T N 3.794 118.286 114.554 -0.104 0.000 2.744 139 T HA 0.710 5.060 4.350 -0.000 0.000 0.291 139 T C 0.410 175.081 174.700 -0.048 0.000 0.957 139 T CA 0.394 62.456 62.100 -0.063 0.000 1.002 139 T CB 1.042 69.892 68.868 -0.029 0.000 0.919 139 T HN 1.414 nan 8.240 nan 0.000 0.468 140 A N 2.568 125.361 122.820 -0.045 0.000 2.462 140 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 140 A C 1.221 178.798 177.584 -0.012 0.000 1.076 140 A CA -0.422 51.600 52.037 -0.025 0.000 0.773 140 A CB 0.093 19.072 19.000 -0.036 0.000 1.010 140 A HN 1.073 nan 8.150 nan 0.000 0.493 141 V N -0.421 119.494 119.914 0.002 0.000 3.382 141 V HA 0.381 4.501 4.120 -0.000 0.000 0.296 141 V C 0.025 176.128 176.094 0.015 0.000 1.529 141 V CA 0.150 62.456 62.300 0.010 0.000 1.048 141 V CB -0.732 31.099 31.823 0.014 0.000 0.878 141 V HN 0.826 nan 8.190 nan 0.000 0.442 142 N N 0.102 118.811 118.700 0.014 0.000 2.324 142 N HA 0.584 5.324 4.740 -0.000 0.000 0.285 142 N C 0.707 176.225 175.510 0.013 0.000 1.076 142 N CA 0.449 53.510 53.050 0.019 0.000 0.864 142 N CB 2.603 41.107 38.487 0.028 0.000 1.632 142 N HN 0.109 nan 8.380 nan 0.000 0.478 143 A N 2.995 125.821 122.820 0.011 0.000 1.897 143 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 143 A C 2.012 179.604 177.584 0.012 0.000 1.181 143 A CA 1.880 53.917 52.037 0.000 0.000 0.620 143 A CB -0.774 18.229 19.000 0.004 0.000 0.821 143 A HN 0.763 nan 8.150 nan 0.000 0.443 144 A N -0.233 122.607 122.820 0.034 0.000 1.972 144 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 144 A C 2.279 179.908 177.584 0.074 0.000 1.169 144 A CA 2.358 54.429 52.037 0.057 0.000 0.635 144 A CB -1.153 17.883 19.000 0.060 0.000 0.810 144 A HN 0.795 nan 8.150 nan 0.000 0.446 145 T N -2.981 111.612 114.554 0.065 0.000 3.107 145 T HA 0.141 4.491 4.350 -0.000 0.000 0.249 145 T C 1.519 176.275 174.700 0.092 0.000 1.096 145 T CA 0.696 62.852 62.100 0.094 0.000 1.012 145 T CB -0.178 68.743 68.868 0.089 0.000 0.977 145 T HN 0.142 nan 8.240 nan 0.000 0.527 146 L N 2.504 123.748 121.223 0.036 0.000 2.012 146 L HA 0.128 4.468 4.340 -0.000 0.000 0.210 146 L C -0.898 175.959 176.870 -0.022 0.000 1.073 146 L CA 1.884 56.720 54.840 -0.007 0.000 0.748 146 L CB -1.202 40.823 42.059 -0.056 0.000 0.891 146 L HN 0.118 nan 8.230 nan 0.000 0.431 147 P HA -0.217 nan 4.420 nan 0.000 0.216 147 P C 1.529 178.837 177.300 0.013 0.000 1.150 147 P CA 1.689 64.769 63.100 -0.033 0.000 0.837 147 P CB -0.356 31.343 31.700 -0.000 0.000 0.786 148 H N -0.195 118.863 119.070 -0.020 0.000 2.353 148 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 148 H C 1.639 176.952 175.328 -0.024 0.000 1.090 148 H CA 1.358 57.373 56.048 -0.055 0.000 1.327 148 H CB -0.342 29.400 29.762 -0.033 0.000 1.383 148 H HN -0.110 nan 8.280 nan 0.000 0.508 149 V N 1.633 121.522 119.914 -0.041 0.000 2.407 149 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 149 V C 2.799 178.844 176.094 -0.081 0.000 1.055 149 V CA 1.250 63.534 62.300 -0.027 0.000 1.049 149 V CB -0.439 31.428 31.823 0.074 0.000 0.662 149 V HN 0.381 nan 8.190 nan 0.000 0.455 150 I N 0.456 120.966 120.570 -0.099 0.000 2.252 150 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 150 I C 2.338 178.340 176.117 -0.191 0.000 1.102 150 I CA 2.054 63.279 61.300 -0.125 0.000 1.385 150 I CB -1.218 36.712 38.000 -0.117 0.000 1.064 150 I HN 0.427 nan 8.210 nan 0.000 0.414 151 D N 0.766 121.061 120.400 -0.176 0.000 2.117 151 D HA -0.256 4.384 4.640 -0.000 0.000 0.197 151 D C 2.105 178.240 176.300 -0.275 0.000 0.987 151 D CA 1.264 55.185 54.000 -0.131 0.000 0.829 151 D CB 0.195 40.976 40.800 -0.031 0.000 0.961 151 D HN 0.208 nan 8.370 nan 0.000 0.460 152 E N 0.045 119.990 120.200 -0.425 0.000 2.051 152 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 152 E C 1.888 178.144 176.600 -0.572 0.000 0.991 152 E CA 1.518 57.622 56.400 -0.494 0.000 0.799 152 E CB -0.561 28.800 29.700 -0.565 0.000 0.748 152 E HN 0.308 nan 8.360 nan 0.000 0.449 153 A N 0.584 123.129 122.820 -0.458 0.000 1.883 153 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 153 A C 2.380 179.744 177.584 -0.366 0.000 1.186 153 A CA 1.798 53.642 52.037 -0.322 0.000 0.624 153 A CB -0.831 18.154 19.000 -0.025 0.000 0.822 153 A HN 0.375 nan 8.150 nan 0.000 0.444 154 I N -1.309 118.986 120.570 -0.459 0.000 2.179 154 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 154 I C 2.745 178.500 176.117 -0.604 0.000 1.088 154 I CA 1.786 62.693 61.300 -0.655 0.000 1.357 154 I CB -0.338 37.014 38.000 -1.081 0.000 1.051 154 I HN 0.357 nan 8.210 nan 0.000 0.409 155 R N 1.018 121.202 120.500 -0.526 0.000 2.081 155 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 155 R C 2.475 178.647 176.300 -0.214 0.000 1.131 155 R CA 1.406 57.364 56.100 -0.237 0.000 0.960 155 R CB -0.058 30.215 30.300 -0.046 0.000 0.856 155 R HN 0.256 nan 8.270 nan 0.000 0.436 156 R N -0.403 119.886 120.500 -0.351 0.000 2.090 156 R HA -0.020 4.320 4.340 -0.000 0.000 0.228 156 R C 2.324 178.430 176.300 -0.323 0.000 1.110 156 R CA 1.162 56.994 56.100 -0.446 0.000 0.973 156 R CB -0.256 29.793 30.300 -0.418 0.000 0.869 156 R HN 0.240 nan 8.270 nan 0.000 0.440 157 A N 0.461 123.130 122.820 -0.250 0.000 1.902 157 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 157 A C 1.771 179.259 177.584 -0.161 0.000 1.181 157 A CA 1.256 53.170 52.037 -0.204 0.000 0.623 157 A CB -0.655 18.161 19.000 -0.306 0.000 0.818 157 A HN 0.267 nan 8.150 nan 0.000 0.443 158 Y N -0.187 120.014 120.300 -0.164 0.000 2.114 158 Y HA -0.087 4.462 4.550 -0.000 0.000 0.284 158 Y C 2.993 178.892 175.900 -0.002 0.000 1.143 158 Y CA 0.916 58.987 58.100 -0.047 0.000 1.135 158 Y CB -0.815 37.649 38.460 0.007 0.000 0.980 158 Y HN 0.318 nan 8.280 nan 0.000 0.499 159 A N -0.783 122.081 122.820 0.073 0.000 1.933 159 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 159 A C 1.543 179.161 177.584 0.056 0.000 1.175 159 A CA 2.072 54.093 52.037 -0.028 0.000 0.628 159 A CB -1.007 17.838 19.000 -0.258 0.000 0.814 159 A HN 0.708 nan 8.150 nan 0.000 0.444 160 H N -1.562 117.543 119.070 0.058 0.000 2.586 160 H HA 0.151 4.707 4.556 -0.000 0.000 0.273 160 H C -0.292 175.059 175.328 0.038 0.000 0.997 160 H CA -0.180 55.889 56.048 0.035 0.000 1.177 160 H CB 0.350 30.122 29.762 0.017 0.000 1.471 160 H HN 0.315 nan 8.280 nan 0.000 0.538 161 Q N 0.703 120.587 119.800 0.141 0.000 2.447 161 Q HA -0.149 4.191 4.340 -0.000 0.000 0.348 161 Q C 0.266 176.319 176.000 0.089 0.000 1.421 161 Q CA 1.039 56.910 55.803 0.114 0.000 0.978 161 Q CB -1.477 27.354 28.738 0.154 0.000 1.191 161 Q HN 0.827 nan 8.270 nan 0.000 0.371 162 G N -2.068 106.751 108.800 0.031 0.000 2.664 162 G HA2 0.547 4.507 3.960 -0.000 0.000 0.303 162 G HA3 0.547 4.507 3.960 -0.000 0.000 0.303 162 G C -1.121 173.746 174.900 -0.056 0.000 1.243 162 G CA -0.250 44.849 45.100 -0.002 0.000 0.826 162 G HN 0.104 nan 8.290 nan 0.000 0.498 163 V N 0.996 120.872 119.914 -0.064 0.000 2.439 163 V HA 0.650 4.770 4.120 -0.000 0.000 0.282 163 V C 0.503 176.571 176.094 -0.044 0.000 1.039 163 V CA -0.108 62.140 62.300 -0.085 0.000 0.913 163 V CB 0.865 32.616 31.823 -0.119 0.000 0.983 163 V HN 1.166 nan 8.190 nan 0.000 0.460 164 A N 5.094 127.882 122.820 -0.053 0.000 2.318 164 A HA 0.833 5.153 4.320 -0.000 0.000 0.324 164 A C -0.798 176.763 177.584 -0.037 0.000 1.170 164 A CA -0.502 51.547 52.037 0.020 0.000 0.810 164 A CB 1.382 20.394 19.000 0.020 0.000 1.198 164 A HN 0.645 nan 8.150 nan 0.000 0.484 165 V N 2.933 122.813 119.914 -0.057 0.000 2.540 165 V HA 0.534 4.654 4.120 -0.000 0.000 0.302 165 V C -0.563 175.424 176.094 -0.178 0.000 1.035 165 V CA -0.497 61.702 62.300 -0.168 0.000 0.873 165 V CB 1.668 33.340 31.823 -0.253 0.000 0.992 165 V HN 0.647 nan 8.190 nan 0.000 0.428 166 V N 4.590 124.397 119.914 -0.178 0.000 2.443 166 V HA 0.409 4.529 4.120 -0.000 0.000 0.293 166 V C -0.512 175.482 176.094 -0.167 0.000 1.021 166 V CA -0.780 61.428 62.300 -0.153 0.000 0.848 166 V CB 1.756 33.523 31.823 -0.093 0.000 0.998 166 V HN 0.951 nan 8.190 nan 0.000 0.424 167 Q N 4.546 124.256 119.800 -0.150 0.000 2.279 167 Q HA 0.618 4.958 4.340 -0.000 0.000 0.256 167 Q C -0.711 175.236 176.000 -0.087 0.000 0.937 167 Q CA 0.268 56.003 55.803 -0.113 0.000 0.933 167 Q CB 1.533 30.231 28.738 -0.067 0.000 1.189 167 Q HN 0.685 nan 8.270 nan 0.000 0.417 168 I N 4.673 125.188 120.570 -0.092 0.000 2.390 168 I HA 0.325 4.495 4.170 -0.000 0.000 0.283 168 I C -2.308 173.756 176.117 -0.088 0.000 1.016 168 I CA -2.594 58.646 61.300 -0.100 0.000 1.151 168 I CB 1.649 39.561 38.000 -0.147 0.000 1.293 168 I HN 0.336 nan 8.210 nan 0.000 0.458 169 P HA -0.048 nan 4.420 nan 0.000 0.264 169 P C 0.892 178.139 177.300 -0.089 0.000 1.193 169 P CA 0.153 63.233 63.100 -0.035 0.000 0.763 169 P CB 1.091 32.792 31.700 0.003 0.000 0.810 170 V N 3.536 123.380 119.914 -0.116 0.000 2.759 170 V HA -0.199 3.921 4.120 -0.000 0.000 0.256 170 V C 1.564 177.558 176.094 -0.167 0.000 1.080 170 V CA 2.328 64.505 62.300 -0.205 0.000 1.101 170 V CB -0.889 30.809 31.823 -0.208 0.000 0.698 170 V HN 0.608 nan 8.190 nan 0.000 0.477 171 D N -0.259 120.119 120.400 -0.036 0.000 2.178 171 D HA -0.214 4.426 4.640 -0.000 0.000 0.202 171 D C 2.011 178.334 176.300 0.037 0.000 0.974 171 D CA 1.454 55.498 54.000 0.074 0.000 0.841 171 D CB -0.592 40.251 40.800 0.072 0.000 0.953 171 D HN 0.498 nan 8.370 nan 0.000 0.478 172 L N 0.448 121.649 121.223 -0.037 0.000 2.012 172 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 172 L C -0.264 176.559 176.870 -0.078 0.000 1.073 172 L CA 1.445 56.260 54.840 -0.043 0.000 0.748 172 L CB -1.913 40.112 42.059 -0.056 0.000 0.891 172 L HN 0.095 nan 8.230 nan 0.000 0.431 173 P HA -0.157 nan 4.420 nan 0.000 0.225 173 P C 1.016 178.199 177.300 -0.196 0.000 1.148 173 P CA 1.074 64.017 63.100 -0.261 0.000 0.779 173 P CB -0.045 31.395 31.700 -0.433 0.000 0.780 174 W N -0.192 121.059 121.300 -0.082 0.000 3.290 174 W HA 0.205 4.865 4.660 -0.000 0.000 0.287 174 W C 0.404 176.891 176.519 -0.053 0.000 1.288 174 W CA 0.161 57.465 57.345 -0.069 0.000 1.725 174 W CB -0.644 28.775 29.460 -0.067 0.000 1.103 174 W HN 0.123 nan 8.180 nan 0.000 0.670 175 Q N 1.248 121.131 119.800 0.138 0.000 2.288 175 Q HA 0.109 4.449 4.340 -0.000 0.000 0.254 175 Q C 0.478 176.511 176.000 0.054 0.000 0.932 175 Q CA -0.208 55.645 55.803 0.082 0.000 0.902 175 Q CB 1.062 29.833 28.738 0.054 0.000 1.203 175 Q HN -0.141 nan 8.270 nan 0.000 0.415 176 Q N 2.503 122.332 119.800 0.049 0.000 2.337 176 Q HA 0.266 4.606 4.340 -0.000 0.000 0.270 176 Q C -0.084 175.941 176.000 0.041 0.000 1.002 176 Q CA 0.342 56.170 55.803 0.041 0.000 0.888 176 Q CB 0.537 29.298 28.738 0.039 0.000 1.222 176 Q HN 0.598 nan 8.270 nan 0.000 0.400 177 I N -1.764 118.834 120.570 0.047 0.000 2.934 177 I HA 0.598 4.768 4.170 -0.000 0.000 0.306 177 I C -2.704 173.470 176.117 0.095 0.000 1.110 177 I CA -3.258 58.081 61.300 0.066 0.000 1.019 177 I CB 2.343 40.383 38.000 0.065 0.000 1.227 177 I HN 0.198 nan 8.210 nan 0.000 0.434 178 P HA 0.063 nan 4.420 nan 0.000 0.264 178 P C 0.327 177.733 177.300 0.177 0.000 1.193 178 P CA 0.156 63.323 63.100 0.112 0.000 0.763 178 P CB 1.061 32.816 31.700 0.093 0.000 0.810 179 A N 4.458 127.374 122.820 0.161 0.000 2.067 179 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 179 A C 1.670 179.358 177.584 0.174 0.000 1.158 179 A CA 1.295 53.470 52.037 0.231 0.000 0.661 179 A CB -0.663 18.433 19.000 0.161 0.000 0.801 179 A HN 0.637 nan 8.150 nan 0.000 0.452 180 E N -0.462 119.783 120.200 0.076 0.000 2.452 180 E HA -0.054 4.296 4.350 -0.000 0.000 0.197 180 E C 0.114 176.682 176.600 -0.053 0.000 1.022 180 E CA 0.689 57.072 56.400 -0.028 0.000 0.890 180 E CB -0.226 29.465 29.700 -0.016 0.000 0.918 180 E HN 0.453 nan 8.360 nan 0.000 0.496 181 D N 1.193 121.622 120.400 0.048 0.000 2.162 181 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 181 D C 0.951 177.335 176.300 0.140 0.000 0.964 181 D CA 0.402 54.454 54.000 0.086 0.000 0.847 181 D CB -0.498 40.377 40.800 0.124 0.000 0.988 181 D HN 0.376 nan 8.370 nan 0.000 0.480 182 W N 2.268 123.635 121.300 0.112 0.000 2.158 182 W HA 0.328 4.988 4.660 -0.000 0.000 0.339 182 W C -0.594 176.043 176.519 0.197 0.000 1.294 182 W CA -0.655 56.755 57.345 0.110 0.000 1.231 182 W CB -0.329 29.158 29.460 0.045 0.000 1.143 182 W HN -0.027 nan 8.180 nan 0.000 0.571 183 Y N 0.291 120.666 120.300 0.124 0.000 2.655 183 Y HA 0.778 5.328 4.550 -0.000 0.000 0.336 183 Y C -1.431 174.630 175.900 0.268 0.000 1.154 183 Y CA -1.873 56.168 58.100 -0.098 0.000 1.055 183 Y CB 0.480 38.851 38.460 -0.148 0.000 1.295 183 Y HN 0.716 nan 8.280 nan 0.000 0.465 184 A N 0.594 123.561 122.820 0.245 0.000 2.340 184 A HA 0.578 4.898 4.320 -0.000 0.000 0.331 184 A C 0.165 177.878 177.584 0.215 0.000 1.140 184 A CA -0.329 51.831 52.037 0.205 0.000 0.801 184 A CB 0.787 19.901 19.000 0.190 0.000 1.234 184 A HN 1.240 nan 8.150 nan 0.000 0.469 185 S N 0.899 116.718 115.700 0.198 0.000 2.614 185 S HA 0.315 4.785 4.470 -0.000 0.000 0.230 185 S C 1.307 175.703 174.600 -0.340 0.000 0.952 185 S CA 0.466 58.753 58.200 0.146 0.000 0.949 185 S CB 0.049 63.454 63.200 0.341 0.000 0.786 185 S HN 1.234 nan 8.310 nan 0.000 0.478 186 A N 4.054 126.254 122.820 -1.033 0.000 1.940 186 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 186 A C 2.261 179.440 177.584 -0.676 0.000 1.176 186 A CA 1.688 52.696 52.037 -1.714 0.000 0.631 186 A CB -0.889 17.144 19.000 -1.611 0.000 0.814 186 A HN 0.813 nan 8.150 nan 0.000 0.446 187 N N 0.259 118.735 118.700 -0.374 0.000 2.364 187 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 187 N C 1.209 176.645 175.510 -0.123 0.000 1.022 187 N CA 1.770 54.705 53.050 -0.192 0.000 0.883 187 N CB -0.582 37.827 38.487 -0.132 0.000 0.965 187 N HN 0.351 nan 8.380 nan 0.000 0.438 188 S N -0.761 114.878 115.700 -0.102 0.000 2.528 188 S HA -0.013 4.457 4.470 -0.000 0.000 0.219 188 S C 0.272 174.861 174.600 -0.019 0.000 0.985 188 S CA -0.516 57.661 58.200 -0.038 0.000 0.914 188 S CB -0.436 62.771 63.200 0.012 0.000 0.776 188 S HN 0.485 nan 8.310 nan 0.000 0.526 189 Y N 4.715 124.920 120.300 -0.159 0.000 2.526 189 Y HA 0.208 4.758 4.550 -0.000 0.000 0.330 189 Y C 0.355 176.198 175.900 -0.095 0.000 1.156 189 Y CA -0.001 58.035 58.100 -0.107 0.000 1.419 189 Y CB 0.168 38.536 38.460 -0.152 0.000 1.250 189 Y HN 0.252 nan 8.280 nan 0.000 0.540 190 Q N 2.747 122.115 119.800 -0.720 0.000 2.648 190 Q HA 0.526 4.866 4.340 -0.000 0.000 0.300 190 Q C -1.501 174.130 176.000 -0.615 0.000 0.954 190 Q CA -1.100 54.391 55.803 -0.520 0.000 0.757 190 Q CB 1.681 30.276 28.738 -0.239 0.000 1.482 190 Q HN 0.604 nan 8.270 nan 0.000 0.437 191 T N -0.998 113.363 114.554 -0.321 0.000 2.895 191 T HA 0.656 5.006 4.350 -0.000 0.000 0.283 191 T C -2.092 172.530 174.700 -0.130 0.000 1.014 191 T CA -1.365 60.610 62.100 -0.209 0.000 1.037 191 T CB 0.944 69.751 68.868 -0.102 0.000 1.006 191 T HN 0.537 nan 8.240 nan 0.000 0.468 192 P HA 0.327 nan 4.420 nan 0.000 0.275 192 P C -1.061 176.213 177.300 -0.045 0.000 1.228 192 P CA -0.719 62.342 63.100 -0.065 0.000 0.786 192 P CB 0.442 32.114 31.700 -0.046 0.000 0.927 193 L N 2.694 123.894 121.223 -0.038 0.000 2.261 193 L HA 0.295 4.635 4.340 -0.000 0.000 0.289 193 L C 0.524 177.382 176.870 -0.021 0.000 1.059 193 L CA -0.038 54.786 54.840 -0.027 0.000 0.816 193 L CB -0.256 41.788 42.059 -0.026 0.000 1.191 193 L HN 0.301 nan 8.230 nan 0.000 0.431 194 L N 5.635 126.849 121.223 -0.016 0.000 2.357 194 L HA 0.498 4.838 4.340 -0.000 0.000 0.273 194 L C -1.470 175.394 176.870 -0.011 0.000 1.080 194 L CA -1.755 53.078 54.840 -0.012 0.000 0.803 194 L CB 0.754 42.808 42.059 -0.009 0.000 1.174 194 L HN 0.491 nan 8.230 nan 0.000 0.443 195 P HA 0.103 nan 4.420 nan 0.000 0.274 195 P C -0.736 176.559 177.300 -0.008 0.000 1.260 195 P CA -0.495 62.600 63.100 -0.008 0.000 0.793 195 P CB 0.607 32.303 31.700 -0.007 0.000 1.048 196 E N 0.448 120.643 120.200 -0.008 0.000 2.373 196 E HA 0.244 4.594 4.350 -0.000 0.000 0.263 196 E C -1.932 174.663 176.600 -0.007 0.000 1.073 196 E CA -1.713 54.682 56.400 -0.008 0.000 0.894 196 E CB -0.804 28.890 29.700 -0.009 0.000 1.008 196 E HN 0.320 nan 8.360 nan 0.000 0.420 197 P HA -0.103 nan 4.420 nan 0.000 0.264 197 P C -0.127 177.169 177.300 -0.006 0.000 1.183 197 P CA 0.265 63.362 63.100 -0.006 0.000 0.763 197 P CB 0.346 32.042 31.700 -0.008 0.000 0.807 198 D N 2.964 123.361 120.400 -0.004 0.000 2.536 198 D HA -0.079 4.561 4.640 -0.000 0.000 0.260 198 D C 1.136 177.431 176.300 -0.007 0.000 1.270 198 D CA 0.177 54.175 54.000 -0.005 0.000 0.934 198 D CB 0.762 41.560 40.800 -0.002 0.000 1.129 198 D HN -0.006 nan 8.370 nan 0.000 0.533 199 V N 4.723 124.632 119.914 -0.008 0.000 2.295 199 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 199 V C 2.499 178.587 176.094 -0.011 0.000 1.049 199 V CA 1.675 63.969 62.300 -0.010 0.000 1.024 199 V CB -0.470 31.347 31.823 -0.009 0.000 0.648 199 V HN 0.612 nan 8.190 nan 0.000 0.447 200 Q N -0.457 119.337 119.800 -0.010 0.000 2.230 200 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 200 Q C 2.378 178.370 176.000 -0.014 0.000 0.963 200 Q CA 1.339 57.134 55.803 -0.012 0.000 0.866 200 Q CB -0.282 28.449 28.738 -0.011 0.000 0.931 200 Q HN 0.682 nan 8.270 nan 0.000 0.452 201 A N 0.290 123.103 122.820 -0.011 0.000 1.929 201 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 201 A C 2.267 179.843 177.584 -0.014 0.000 1.176 201 A CA 0.917 52.947 52.037 -0.011 0.000 0.628 201 A CB -0.430 18.566 19.000 -0.005 0.000 0.816 201 A HN 0.180 nan 8.150 nan 0.000 0.444 202 V N -0.238 119.668 119.914 -0.013 0.000 2.358 202 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 202 V C 2.737 178.820 176.094 -0.018 0.000 1.047 202 V CA 2.417 64.708 62.300 -0.014 0.000 1.035 202 V CB -1.173 30.643 31.823 -0.012 0.000 0.658 202 V HN 0.590 nan 8.190 nan 0.000 0.452 203 T N -0.451 114.092 114.554 -0.019 0.000 2.684 203 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 203 T C 2.064 176.747 174.700 -0.028 0.000 1.036 203 T CA 1.907 63.994 62.100 -0.021 0.000 1.148 203 T CB -0.251 68.606 68.868 -0.019 0.000 0.863 203 T HN 0.356 nan 8.240 nan 0.000 0.436 204 R N 0.363 120.844 120.500 -0.031 0.000 2.075 204 R HA 0.064 4.404 4.340 -0.000 0.000 0.232 204 R C 2.509 178.778 176.300 -0.052 0.000 1.126 204 R CA 0.940 57.014 56.100 -0.043 0.000 0.963 204 R CB -0.432 29.843 30.300 -0.042 0.000 0.858 204 R HN 0.386 nan 8.270 nan 0.000 0.435 205 L N 0.407 121.606 121.223 -0.040 0.000 2.046 205 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 205 L C 1.833 178.681 176.870 -0.036 0.000 1.077 205 L CA 1.838 56.655 54.840 -0.039 0.000 0.747 205 L CB -0.360 41.684 42.059 -0.025 0.000 0.896 205 L HN 0.204 nan 8.230 nan 0.000 0.432 206 T N -0.597 113.940 114.554 -0.029 0.000 2.708 206 T HA -0.251 4.099 4.350 -0.000 0.000 0.266 206 T C 1.817 176.500 174.700 -0.029 0.000 1.037 206 T CA 1.544 63.630 62.100 -0.024 0.000 1.146 206 T CB -0.278 68.578 68.868 -0.021 0.000 0.865 206 T HN 0.411 nan 8.240 nan 0.000 0.435 207 Q N 0.725 120.502 119.800 -0.039 0.000 2.096 207 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 207 Q C 2.233 178.200 176.000 -0.056 0.000 0.982 207 Q CA 1.710 57.487 55.803 -0.044 0.000 0.850 207 Q CB -0.607 28.102 28.738 -0.050 0.000 0.901 207 Q HN 0.492 nan 8.270 nan 0.000 0.422 208 T N 1.682 116.187 114.554 -0.080 0.000 2.821 208 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 208 T C 1.833 176.509 174.700 -0.040 0.000 1.046 208 T CA 1.016 63.047 62.100 -0.115 0.000 1.139 208 T CB -0.225 68.525 68.868 -0.197 0.000 0.871 208 T HN 0.192 nan 8.240 nan 0.000 0.454 209 L N 0.710 121.921 121.223 -0.020 0.000 2.046 209 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 209 L C 1.981 178.858 176.870 0.013 0.000 1.077 209 L CA 1.541 56.388 54.840 0.011 0.000 0.747 209 L CB -0.633 41.434 42.059 0.012 0.000 0.896 209 L HN 0.114 nan 8.230 nan 0.000 0.432 210 L N -0.260 120.963 121.223 -0.001 0.000 2.141 210 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 210 L C 2.582 179.452 176.870 -0.000 0.000 1.094 210 L CA 1.694 56.533 54.840 -0.002 0.000 0.763 210 L CB -1.274 40.778 42.059 -0.011 0.000 0.908 210 L HN 0.325 nan 8.230 nan 0.000 0.437 211 A N -0.460 122.358 122.820 -0.002 0.000 2.121 211 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 211 A C 1.503 179.100 177.584 0.021 0.000 1.154 211 A CA 0.769 52.810 52.037 0.007 0.000 0.679 211 A CB -0.842 18.159 19.000 0.001 0.000 0.795 211 A HN 0.298 nan 8.150 nan 0.000 0.458 212 A N -0.056 122.777 122.820 0.022 0.000 2.483 212 A HA 0.330 4.650 4.320 -0.000 0.000 0.238 212 A C 0.795 178.348 177.584 -0.052 0.000 1.070 212 A CA 0.242 52.280 52.037 0.002 0.000 0.770 212 A CB 0.159 19.158 19.000 -0.001 0.000 1.008 212 A HN 0.533 nan 8.150 nan 0.000 0.497 213 E N 0.575 120.710 120.200 -0.109 0.000 2.276 213 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 213 E C 0.117 176.497 176.600 -0.365 0.000 0.983 213 E CA 0.602 56.913 56.400 -0.147 0.000 0.861 213 E CB 0.200 29.828 29.700 -0.120 0.000 0.817 213 E HN 0.650 nan 8.360 nan 0.000 0.485 214 R N 1.404 121.545 120.500 -0.599 0.000 2.738 214 R HA 0.216 4.556 4.340 -0.000 0.000 0.280 214 R C -2.635 173.174 176.300 -0.818 0.000 1.456 214 R CA -1.396 53.822 56.100 -1.470 0.000 1.612 214 R CB 1.109 30.410 30.300 -1.665 0.000 1.286 214 R HN 0.050 nan 8.270 nan 0.000 0.660 215 P HA 0.162 nan 4.420 nan 0.000 0.274 215 P C -0.562 176.932 177.300 0.324 0.000 1.231 215 P CA -0.044 63.090 63.100 0.058 0.000 0.790 215 P CB 1.426 33.191 31.700 0.108 0.000 0.951 216 L N 2.266 123.645 121.223 0.260 0.000 2.409 216 L HA 0.534 4.874 4.340 -0.000 0.000 0.262 216 L C 0.080 177.096 176.870 0.245 0.000 0.992 216 L CA -0.986 54.031 54.840 0.295 0.000 0.817 216 L CB 2.216 44.438 42.059 0.272 0.000 1.350 216 L HN 0.237 nan 8.230 nan 0.000 0.411 217 I N 2.415 123.148 120.570 0.271 0.000 2.339 217 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 217 I C -1.291 175.060 176.117 0.390 0.000 0.994 217 I CA -0.525 60.949 61.300 0.291 0.000 1.191 217 I CB 1.331 39.494 38.000 0.271 0.000 1.343 217 I HN 0.404 nan 8.210 nan 0.000 0.458 218 Y N 9.432 129.854 120.300 0.204 0.000 2.447 218 Y HA 0.395 4.944 4.550 -0.000 0.000 0.325 218 Y C -1.176 174.757 175.900 0.056 0.000 0.976 218 Y CA -1.795 56.382 58.100 0.129 0.000 1.280 218 Y CB 0.463 39.066 38.460 0.239 0.000 1.104 218 Y HN 0.458 nan 8.280 nan 0.000 0.486 219 Y N 2.854 123.291 120.300 0.228 0.000 2.457 219 Y HA 0.967 5.516 4.550 -0.000 0.000 0.333 219 Y C 0.160 176.043 175.900 -0.029 0.000 1.119 219 Y CA -1.196 56.906 58.100 0.003 0.000 1.143 219 Y CB 1.167 39.655 38.460 0.046 0.000 1.230 219 Y HN 0.561 nan 8.280 nan 0.000 0.469 220 G N 0.899 109.699 108.800 0.000 0.000 3.107 220 G HA2 0.377 4.337 3.960 -0.000 0.000 0.232 220 G HA3 0.377 4.337 3.960 -0.000 0.000 0.232 220 G C 0.301 175.273 174.900 0.119 0.000 1.339 220 G CA -0.710 44.392 45.100 0.005 0.000 1.033 220 G HN 1.101 nan 8.290 nan 0.000 0.567 221 I N -1.542 119.076 120.570 0.081 0.000 3.001 221 I HA 0.151 4.321 4.170 -0.000 0.000 0.268 221 I C 2.012 178.173 176.117 0.073 0.000 1.267 221 I CA 0.984 62.335 61.300 0.085 0.000 1.472 221 I CB -0.227 37.805 38.000 0.054 0.000 1.089 221 I HN 0.410 nan 8.210 nan 0.000 0.468 222 G N 1.399 110.231 108.800 0.053 0.000 2.479 222 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.220 222 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.220 222 G C 1.440 176.357 174.900 0.028 0.000 1.115 222 G CA 0.605 45.724 45.100 0.033 0.000 0.757 222 G HN 0.614 nan 8.290 nan 0.000 0.560 223 A N 0.716 123.564 122.820 0.047 0.000 2.370 223 A HA 0.308 4.628 4.320 -0.000 0.000 0.238 223 A C 2.115 179.698 177.584 -0.002 0.000 1.289 223 A CA 0.572 52.618 52.037 0.014 0.000 0.885 223 A CB -0.287 18.719 19.000 0.010 0.000 0.961 223 A HN 0.511 nan 8.150 nan 0.000 0.499 224 R N 0.189 120.706 120.500 0.029 0.000 2.152 224 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 224 R C 1.125 177.424 176.300 -0.002 0.000 1.117 224 R CA 1.766 57.880 56.100 0.023 0.000 0.981 224 R CB -0.380 29.943 30.300 0.038 0.000 0.870 224 R HN 0.324 nan 8.270 nan 0.000 0.451 225 K N 0.269 120.665 120.400 -0.007 0.000 2.444 225 K HA 0.160 4.480 4.320 -0.000 0.000 0.193 225 K C 0.911 177.486 176.600 -0.041 0.000 1.024 225 K CA 0.580 56.858 56.287 -0.015 0.000 1.077 225 K CB 0.708 33.206 32.500 -0.004 0.000 0.833 225 K HN 0.296 nan 8.250 nan 0.000 0.517 226 A N 0.480 123.259 122.820 -0.069 0.000 2.574 226 A HA 0.254 4.574 4.320 -0.000 0.000 0.283 226 A C 1.677 179.166 177.584 -0.158 0.000 1.270 226 A CA 0.003 51.980 52.037 -0.101 0.000 0.945 226 A CB -0.097 18.841 19.000 -0.102 0.000 1.127 226 A HN 0.291 nan 8.150 nan 0.000 0.522 227 G N 0.944 109.655 108.800 -0.149 0.000 2.476 227 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 227 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 227 G C 1.561 176.357 174.900 -0.174 0.000 1.164 227 G CA 1.402 46.392 45.100 -0.183 0.000 0.768 227 G HN 0.548 nan 8.290 nan 0.000 0.560 228 K N 0.181 120.507 120.400 -0.123 0.000 2.032 228 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 228 K C 2.539 179.069 176.600 -0.117 0.000 1.048 228 K CA 1.775 57.997 56.287 -0.108 0.000 0.927 228 K CB -0.094 32.362 32.500 -0.073 0.000 0.712 228 K HN 0.278 nan 8.250 nan 0.000 0.441 229 E N 0.518 120.653 120.200 -0.109 0.000 2.072 229 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 229 E C 1.912 178.443 176.600 -0.116 0.000 0.985 229 E CA 0.997 57.339 56.400 -0.096 0.000 0.801 229 E CB -0.091 29.562 29.700 -0.078 0.000 0.750 229 E HN 0.236 nan 8.360 nan 0.000 0.452 230 L N 0.634 121.755 121.223 -0.170 0.000 1.989 230 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 230 L C 2.621 179.392 176.870 -0.164 0.000 1.071 230 L CA 1.742 56.465 54.840 -0.195 0.000 0.749 230 L CB -0.355 41.463 42.059 -0.402 0.000 0.890 230 L HN 0.196 nan 8.230 nan 0.000 0.431 231 E N -0.464 119.592 120.200 -0.241 0.000 2.072 231 E HA -0.285 4.065 4.350 -0.000 0.000 0.191 231 E C 2.200 178.668 176.600 -0.220 0.000 0.985 231 E CA 1.063 57.241 56.400 -0.371 0.000 0.801 231 E CB 0.104 29.513 29.700 -0.486 0.000 0.750 231 E HN 0.286 nan 8.360 nan 0.000 0.452 232 Q N 0.644 120.361 119.800 -0.138 0.000 2.079 232 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 232 Q C 2.155 178.126 176.000 -0.049 0.000 0.974 232 Q CA 1.320 57.078 55.803 -0.075 0.000 0.840 232 Q CB -0.251 28.450 28.738 -0.063 0.000 0.898 232 Q HN 0.370 nan 8.270 nan 0.000 0.430 233 L N -0.418 120.777 121.223 -0.047 0.000 2.012 233 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 233 L C 2.530 179.401 176.870 0.002 0.000 1.073 233 L CA 1.588 56.415 54.840 -0.023 0.000 0.748 233 L CB -0.785 41.267 42.059 -0.012 0.000 0.891 233 L HN 0.273 nan 8.230 nan 0.000 0.431 234 S N -0.228 115.504 115.700 0.053 0.000 2.359 234 S HA -0.264 4.206 4.470 -0.000 0.000 0.223 234 S C 2.036 176.688 174.600 0.087 0.000 1.039 234 S CA 1.786 60.092 58.200 0.177 0.000 1.042 234 S CB -0.067 63.347 63.200 0.357 0.000 0.915 234 S HN 0.309 nan 8.310 nan 0.000 0.439 235 K N -0.330 120.138 120.400 0.113 0.000 2.057 235 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 235 K C 2.355 178.865 176.600 -0.149 0.000 1.049 235 K CA 1.782 58.112 56.287 0.072 0.000 0.931 235 K CB -0.463 32.117 32.500 0.134 0.000 0.714 235 K HN 0.372 nan 8.250 nan 0.000 0.440 236 T N 1.494 115.985 114.554 -0.106 0.000 2.701 236 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 236 T C 1.677 176.271 174.700 -0.177 0.000 1.040 236 T CA 1.032 63.061 62.100 -0.118 0.000 1.147 236 T CB -0.043 68.783 68.868 -0.070 0.000 0.865 236 T HN 0.094 nan 8.240 nan 0.000 0.426 237 L N 0.212 121.335 121.223 -0.167 0.000 2.558 237 L HA 0.187 4.527 4.340 -0.000 0.000 0.225 237 L C 0.201 176.908 176.870 -0.271 0.000 1.128 237 L CA 0.052 54.797 54.840 -0.158 0.000 0.868 237 L CB -0.146 41.874 42.059 -0.066 0.000 1.006 237 L HN 0.100 nan 8.230 nan 0.000 0.454 238 K N 0.910 120.967 120.400 -0.572 0.000 3.239 238 K HA -0.130 4.190 4.320 -0.000 0.000 0.270 238 K C -0.617 175.855 176.600 -0.212 0.000 1.049 238 K CA 0.794 56.395 56.287 -1.143 0.000 0.769 238 K CB -2.263 29.608 32.500 -1.047 0.000 1.305 238 K HN 0.333 nan 8.250 nan 0.000 0.469 239 I N 1.134 121.744 120.570 0.066 0.000 2.410 239 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 239 I C -2.120 174.300 176.117 0.505 0.000 1.009 239 I CA -2.370 59.141 61.300 0.352 0.000 1.111 239 I CB 1.965 40.102 38.000 0.228 0.000 1.262 239 I HN -0.172 nan 8.210 nan 0.000 0.443 240 P HA 0.162 nan 4.420 nan 0.000 0.269 240 P C -0.883 176.598 177.300 0.302 0.000 1.215 240 P CA -0.026 63.249 63.100 0.292 0.000 0.780 240 P CB 0.597 32.299 31.700 0.004 0.000 0.898 241 L N 2.747 124.160 121.223 0.317 0.000 2.317 241 L HA 0.631 4.971 4.340 -0.000 0.000 0.281 241 L C 0.414 177.397 176.870 0.188 0.000 1.024 241 L CA -0.599 54.479 54.840 0.396 0.000 0.810 241 L CB 1.027 43.473 42.059 0.645 0.000 1.240 241 L HN 0.391 nan 8.230 nan 0.000 0.427 242 M N 1.376 121.036 119.600 0.101 0.000 2.631 242 M HA 0.817 5.297 4.480 -0.000 0.000 0.288 242 M C -0.807 175.364 176.300 -0.215 0.000 1.260 242 M CA -0.498 54.690 55.300 -0.186 0.000 0.842 242 M CB 2.467 34.837 32.600 -0.384 0.000 1.743 242 M HN 0.491 nan 8.290 nan 0.000 0.461 243 S N -0.378 115.201 115.700 -0.201 0.000 2.697 243 S HA 0.770 5.240 4.470 -0.000 0.000 0.289 243 S C -0.244 174.450 174.600 0.157 0.000 1.149 243 S CA -0.210 57.848 58.200 -0.236 0.000 0.850 243 S CB 1.534 64.476 63.200 -0.431 0.000 1.151 243 S HN 0.996 nan 8.310 nan 0.000 0.491 244 T N -0.296 114.343 114.554 0.142 0.000 2.860 244 T HA 0.200 4.550 4.350 -0.000 0.000 0.299 244 T C 0.942 175.812 174.700 0.284 0.000 1.045 244 T CA -0.053 62.200 62.100 0.254 0.000 1.071 244 T CB -0.015 68.970 68.868 0.196 0.000 0.985 244 T HN 0.839 nan 8.240 nan 0.000 0.537 245 Y N 3.203 123.649 120.300 0.243 0.000 2.081 245 Y HA 0.026 4.576 4.550 -0.000 0.000 0.280 245 Y C -1.079 174.978 175.900 0.262 0.000 1.163 245 Y CA 1.137 59.374 58.100 0.229 0.000 1.135 245 Y CB -1.979 36.612 38.460 0.219 0.000 0.970 245 Y HN 0.514 nan 8.280 nan 0.000 0.498 246 P HA -0.090 nan 4.420 nan 0.000 0.221 246 P C 1.071 178.330 177.300 -0.067 0.000 1.145 246 P CA 2.188 65.101 63.100 -0.312 0.000 0.795 246 P CB -0.325 31.246 31.700 -0.214 0.000 0.775 247 A N -0.896 121.970 122.820 0.077 0.000 2.238 247 A HA -0.047 4.273 4.320 -0.000 0.000 0.208 247 A C 1.135 178.861 177.584 0.235 0.000 1.177 247 A CA -0.038 52.096 52.037 0.162 0.000 0.804 247 A CB -1.015 18.083 19.000 0.164 0.000 0.823 247 A HN 0.089 nan 8.150 nan 0.000 0.482 248 K N -0.032 120.529 120.400 0.268 0.000 2.511 248 K HA 0.208 4.528 4.320 -0.000 0.000 0.280 248 K C 1.190 177.897 176.600 0.178 0.000 1.008 248 K CA 1.035 57.449 56.287 0.210 0.000 1.050 248 K CB -0.133 32.472 32.500 0.176 0.000 0.889 248 K HN 0.687 nan 8.250 nan 0.000 0.484 249 G N 3.819 112.620 108.800 0.002 0.000 2.258 249 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.233 249 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.233 249 G C 0.907 175.822 174.900 0.026 0.000 1.006 249 G CA 0.268 45.381 45.100 0.022 0.000 0.620 249 G HN 0.646 nan 8.290 nan 0.000 0.511 250 I N 0.607 121.217 120.570 0.067 0.000 2.208 250 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 250 I C 1.124 177.211 176.117 -0.051 0.000 1.097 250 I CA 1.326 62.648 61.300 0.037 0.000 1.363 250 I CB -0.193 37.874 38.000 0.112 0.000 1.051 250 I HN 0.116 nan 8.210 nan 0.000 0.413 251 V N 1.300 121.170 119.914 -0.073 0.000 2.483 251 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 251 V C 0.352 176.351 176.094 -0.158 0.000 1.035 251 V CA -1.178 61.041 62.300 -0.134 0.000 0.896 251 V CB 1.422 33.175 31.823 -0.116 0.000 0.986 251 V HN 0.248 nan 8.190 nan 0.000 0.447 252 A N 2.873 125.643 122.820 -0.082 0.000 2.565 252 A HA 0.062 4.382 4.320 -0.000 0.000 0.237 252 A C 1.209 178.765 177.584 -0.046 0.000 1.053 252 A CA 0.022 52.035 52.037 -0.041 0.000 0.755 252 A CB -0.104 18.905 19.000 0.016 0.000 0.980 252 A HN 0.934 nan 8.150 nan 0.000 0.506 253 D N 1.698 122.063 120.400 -0.059 0.000 2.182 253 D HA -0.205 4.435 4.640 -0.000 0.000 0.201 253 D C 2.024 178.395 176.300 0.118 0.000 0.986 253 D CA 1.833 55.844 54.000 0.019 0.000 0.847 253 D CB -0.038 40.785 40.800 0.038 0.000 0.942 253 D HN 0.852 nan 8.370 nan 0.000 0.467 254 R N 0.278 120.830 120.500 0.086 0.000 2.237 254 R HA -0.150 4.190 4.340 -0.000 0.000 0.219 254 R C 0.956 177.328 176.300 0.120 0.000 1.080 254 R CA 0.124 56.274 56.100 0.085 0.000 0.995 254 R CB -0.813 29.524 30.300 0.061 0.000 0.875 254 R HN 0.068 nan 8.270 nan 0.000 0.462 255 Y N 3.711 124.040 120.300 0.050 0.000 2.804 255 Y HA 0.063 4.613 4.550 -0.000 0.000 0.338 255 Y C -1.716 174.228 175.900 0.072 0.000 1.252 255 Y CA -2.542 55.599 58.100 0.068 0.000 1.576 255 Y CB 0.911 39.422 38.460 0.085 0.000 1.223 255 Y HN -0.014 nan 8.280 nan 0.000 0.536 256 P HA -0.120 nan 4.420 nan 0.000 0.223 256 P C 0.226 177.135 177.300 -0.652 0.000 1.144 256 P CA 2.071 64.879 63.100 -0.487 0.000 0.783 256 P CB 0.255 31.711 31.700 -0.406 0.000 0.771 257 A N -2.559 119.632 122.820 -1.048 0.000 2.500 257 A HA 0.133 4.453 4.320 -0.000 0.000 0.267 257 A C -0.078 177.436 177.584 -0.117 0.000 1.290 257 A CA -0.334 51.326 52.037 -0.628 0.000 0.928 257 A CB -0.959 17.685 19.000 -0.594 0.000 1.066 257 A HN 0.070 nan 8.150 nan 0.000 0.516 258 Y N 1.096 121.341 120.300 -0.091 0.000 2.436 258 Y HA 0.384 4.934 4.550 -0.000 0.000 0.343 258 Y C 0.719 176.612 175.900 -0.012 0.000 1.008 258 Y CA -0.721 57.453 58.100 0.124 0.000 1.241 258 Y CB 0.447 39.056 38.460 0.250 0.000 1.153 258 Y HN 0.191 nan 8.280 nan 0.000 0.521 259 L N 5.641 126.530 121.223 -0.557 0.000 2.341 259 L HA 0.246 4.586 4.340 -0.000 0.000 0.214 259 L C 1.402 177.859 176.870 -0.688 0.000 1.115 259 L CA 0.656 55.175 54.840 -0.534 0.000 0.820 259 L CB -0.793 41.021 42.059 -0.407 0.000 0.944 259 L HN 1.002 nan 8.230 nan 0.000 0.452 260 G N 0.147 108.220 108.800 -1.212 0.000 2.472 260 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.205 260 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.205 260 G C -0.398 174.241 174.900 -0.436 0.000 1.270 260 G CA -0.271 44.378 45.100 -0.752 0.000 0.974 260 G HN 0.321 nan 8.290 nan 0.000 0.542 261 S N -0.466 115.132 115.700 -0.171 0.000 2.704 261 S HA 0.969 5.439 4.470 -0.000 0.000 0.305 261 S C 0.331 174.853 174.600 -0.130 0.000 1.107 261 S CA 0.584 58.741 58.200 -0.071 0.000 0.993 261 S CB 1.814 65.104 63.200 0.150 0.000 1.110 261 S HN 2.431 nan 8.310 nan 0.000 0.534 262 A N 0.563 123.329 122.820 -0.090 0.000 2.261 262 A HA 0.788 5.108 4.320 -0.000 0.000 0.323 262 A C 0.656 178.274 177.584 0.055 0.000 1.107 262 A CA -0.246 51.736 52.037 -0.091 0.000 0.883 262 A CB 0.033 18.923 19.000 -0.182 0.000 1.251 262 A HN 1.266 nan 8.150 nan 0.000 0.502 263 N N -1.376 117.319 118.700 -0.008 0.000 1.736 263 N HA -0.234 4.506 4.740 -0.000 0.000 0.186 263 N C 1.168 176.585 175.510 -0.155 0.000 0.790 263 N CA 1.654 54.632 53.050 -0.120 0.000 1.247 263 N CB -0.929 37.371 38.487 -0.311 0.000 1.496 263 N HN 0.757 nan 8.380 nan 0.000 0.424 264 R N 0.363 120.758 120.500 -0.175 0.000 2.167 264 R HA 0.333 4.673 4.340 -0.000 0.000 0.195 264 R C 0.119 176.464 176.300 0.074 0.000 1.027 264 R CA 0.679 56.731 56.100 -0.080 0.000 1.114 264 R CB 0.362 30.584 30.300 -0.130 0.000 1.075 264 R HN 0.206 nan 8.270 nan 0.000 0.538 265 V N 2.727 122.698 119.914 0.096 0.000 2.229 265 V HA 0.440 4.560 4.120 -0.000 0.000 0.245 265 V C -0.240 175.853 176.094 -0.001 0.000 1.243 265 V CA 0.186 62.481 62.300 -0.008 0.000 1.176 265 V CB 0.086 31.750 31.823 -0.266 0.000 1.323 265 V HN 0.416 nan 8.190 nan 0.000 0.499 266 A N 4.632 127.454 122.820 0.005 0.000 2.610 266 A HA 0.810 5.130 4.320 -0.000 0.000 0.291 266 A C -1.152 176.397 177.584 -0.059 0.000 1.086 266 A CA -0.810 51.208 52.037 -0.032 0.000 0.677 266 A CB 1.747 20.704 19.000 -0.073 0.000 1.278 266 A HN 0.497 nan 8.150 nan 0.000 0.414 267 Q N 0.616 120.295 119.800 -0.201 0.000 2.365 267 Q HA 0.326 4.666 4.340 -0.000 0.000 0.269 267 Q C 0.395 175.903 176.000 -0.819 0.000 1.061 267 Q CA -0.764 54.778 55.803 -0.435 0.000 0.816 267 Q CB 2.654 31.228 28.738 -0.272 0.000 1.325 267 Q HN 0.857 nan 8.270 nan 0.000 0.446 268 K N 2.339 121.853 120.400 -1.476 0.000 2.059 268 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 268 K C -1.048 175.120 176.600 -0.720 0.000 1.050 268 K CA 1.992 57.659 56.287 -1.034 0.000 0.927 268 K CB -0.629 31.196 32.500 -1.126 0.000 0.714 268 K HN 0.328 nan 8.250 nan 0.000 0.447 269 P HA -0.119 nan 4.420 nan 0.000 0.218 269 P C 0.826 177.883 177.300 -0.405 0.000 1.148 269 P CA 1.837 64.639 63.100 -0.496 0.000 0.822 269 P CB -0.024 31.395 31.700 -0.468 0.000 0.784 270 A N -0.527 122.030 122.820 -0.438 0.000 1.897 270 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 270 A C 2.181 179.580 177.584 -0.308 0.000 1.181 270 A CA 1.612 53.423 52.037 -0.376 0.000 0.620 270 A CB -1.411 17.343 19.000 -0.409 0.000 0.821 270 A HN 0.087 nan 8.150 nan 0.000 0.443 271 N N 0.177 118.695 118.700 -0.302 0.000 2.069 271 N HA -0.154 4.585 4.740 -0.000 0.000 0.191 271 N C 1.695 177.098 175.510 -0.178 0.000 1.031 271 N CA 1.766 54.679 53.050 -0.229 0.000 0.852 271 N CB -0.411 37.940 38.487 -0.226 0.000 1.018 271 N HN 0.665 nan 8.380 nan 0.000 0.423 272 E N 0.397 120.480 120.200 -0.195 0.000 2.047 272 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 272 E C 1.950 178.519 176.600 -0.053 0.000 0.987 272 E CA 1.098 57.422 56.400 -0.127 0.000 0.799 272 E CB -0.112 29.502 29.700 -0.143 0.000 0.752 272 E HN 0.353 nan 8.360 nan 0.000 0.449 273 A N 1.317 124.088 122.820 -0.081 0.000 1.902 273 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 273 A C 2.174 179.861 177.584 0.173 0.000 1.181 273 A CA 0.962 53.033 52.037 0.057 0.000 0.623 273 A CB -0.533 18.404 19.000 -0.104 0.000 0.818 273 A HN 0.215 nan 8.150 nan 0.000 0.443 274 L N -0.066 121.168 121.223 0.018 0.000 2.042 274 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 274 L C 2.614 179.516 176.870 0.053 0.000 1.076 274 L CA 2.197 57.052 54.840 0.026 0.000 0.749 274 L CB -0.763 41.235 42.059 -0.102 0.000 0.893 274 L HN 0.345 nan 8.230 nan 0.000 0.432 275 A N -1.557 121.273 122.820 0.017 0.000 2.019 275 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 275 A C 2.080 179.688 177.584 0.041 0.000 1.164 275 A CA 1.465 53.508 52.037 0.010 0.000 0.644 275 A CB -0.350 18.637 19.000 -0.021 0.000 0.805 275 A HN 0.602 nan 8.150 nan 0.000 0.449 276 Q N -0.607 119.252 119.800 0.099 0.000 2.376 276 Q HA 0.293 4.633 4.340 -0.000 0.000 0.206 276 Q C 0.973 176.951 176.000 -0.037 0.000 0.921 276 Q CA 0.668 56.526 55.803 0.091 0.000 0.911 276 Q CB -0.527 28.369 28.738 0.264 0.000 1.032 276 Q HN 0.575 nan 8.270 nan 0.000 0.510 277 A N 2.748 125.579 122.820 0.018 0.000 2.511 277 A HA 0.050 4.370 4.320 -0.000 0.000 0.242 277 A C 0.769 178.292 177.584 -0.103 0.000 1.069 277 A CA 0.315 52.291 52.037 -0.102 0.000 0.763 277 A CB 0.179 19.237 19.000 0.096 0.000 1.001 277 A HN 0.251 nan 8.150 nan 0.000 0.498 278 D N 0.883 121.174 120.400 -0.182 0.000 2.338 278 D HA 0.070 4.710 4.640 -0.000 0.000 0.208 278 D C 0.081 176.362 176.300 -0.031 0.000 0.997 278 D CA 0.569 54.501 54.000 -0.113 0.000 0.880 278 D CB -0.101 40.610 40.800 -0.147 0.000 0.980 278 D HN 0.188 nan 8.370 nan 0.000 0.509 279 V N 1.008 120.922 119.914 -0.000 0.000 2.638 279 V HA 0.427 4.547 4.120 -0.000 0.000 0.306 279 V C -0.639 175.500 176.094 0.074 0.000 1.052 279 V CA -0.989 61.359 62.300 0.079 0.000 0.885 279 V CB 2.578 34.470 31.823 0.115 0.000 0.999 279 V HN -0.078 nan 8.190 nan 0.000 0.424 280 V N 5.448 125.393 119.914 0.052 0.000 2.487 280 V HA 0.465 4.585 4.120 -0.000 0.000 0.298 280 V C -0.606 175.406 176.094 -0.137 0.000 1.028 280 V CA -0.635 61.679 62.300 0.023 0.000 0.860 280 V CB 1.883 33.742 31.823 0.061 0.000 0.991 280 V HN 0.676 nan 8.190 nan 0.000 0.427 281 L N 5.978 127.192 121.223 -0.015 0.000 2.259 281 L HA 0.540 4.880 4.340 -0.000 0.000 0.288 281 L C -0.943 175.951 176.870 0.041 0.000 1.051 281 L CA 0.012 54.830 54.840 -0.037 0.000 0.824 281 L CB 0.463 42.543 42.059 0.035 0.000 1.206 281 L HN 0.532 nan 8.230 nan 0.000 0.429 282 F N 6.046 125.802 119.950 -0.324 0.000 2.334 282 F HA 0.538 5.065 4.527 0.000 0.000 0.367 282 F C -0.622 175.105 175.800 -0.121 0.000 1.115 282 F CA -0.483 57.355 58.000 -0.271 0.000 1.116 282 F CB 1.306 39.955 39.000 -0.585 0.000 1.230 282 F HN 0.278 nan 8.300 nan 0.000 0.484 283 V N 6.597 126.400 119.914 -0.184 0.000 2.483 283 V HA 0.666 4.786 4.120 -0.000 0.000 0.297 283 V C 0.261 176.267 176.094 -0.146 0.000 1.027 283 V CA 0.061 62.300 62.300 -0.102 0.000 0.855 283 V CB 1.052 32.878 31.823 0.004 0.000 0.995 283 V HN 1.099 nan 8.190 nan 0.000 0.424 284 G N 4.812 113.538 108.800 -0.124 0.000 2.366 284 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.299 284 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.299 284 G C -0.105 174.694 174.900 -0.168 0.000 1.020 284 G CA 0.816 45.862 45.100 -0.090 0.000 1.026 284 G HN 1.157 nan 8.290 nan 0.000 0.512 285 N N -0.283 118.203 118.700 -0.356 0.000 2.371 285 N HA 0.402 5.142 4.740 -0.000 0.000 0.291 285 N C -0.432 174.874 175.510 -0.339 0.000 1.053 285 N CA -0.903 51.800 53.050 -0.578 0.000 0.870 285 N CB 1.518 39.145 38.487 -1.434 0.000 1.503 285 N HN 0.082 nan 8.380 nan 0.000 0.485 286 N N 2.850 121.532 118.700 -0.031 0.000 2.497 286 N HA 0.070 4.810 4.740 -0.000 0.000 0.284 286 N C -1.202 174.477 175.510 0.283 0.000 1.459 286 N CA -0.410 52.749 53.050 0.183 0.000 0.899 286 N CB -0.247 38.318 38.487 0.129 0.000 1.316 286 N HN 0.442 nan 8.380 nan 0.000 0.500 287 Y N 2.176 122.598 120.300 0.204 0.000 2.805 287 Y HA -0.055 4.495 4.550 -0.000 0.000 0.386 287 Y C -1.312 174.709 175.900 0.202 0.000 1.313 287 Y CA -0.785 57.474 58.100 0.265 0.000 1.683 287 Y CB 0.607 39.323 38.460 0.427 0.000 1.168 287 Y HN 0.326 nan 8.280 nan 0.000 0.514 288 P HA -0.079 nan 4.420 nan 0.000 0.241 288 P C 0.457 177.340 177.300 -0.694 0.000 1.191 288 P CA 1.018 63.859 63.100 -0.431 0.000 0.771 288 P CB -0.047 31.351 31.700 -0.503 0.000 0.929 289 F N -0.312 119.227 119.950 -0.686 0.000 2.727 289 F HA 0.363 4.890 4.527 -0.000 0.000 0.302 289 F C 2.358 177.944 175.800 -0.357 0.000 1.097 289 F CA -0.078 57.593 58.000 -0.548 0.000 1.330 289 F CB -0.907 37.728 39.000 -0.609 0.000 1.084 289 F HN -0.079 nan 8.300 nan 0.000 0.578 290 A N 0.796 123.565 122.820 -0.085 0.000 1.849 290 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 290 A C 2.086 179.705 177.584 0.059 0.000 1.202 290 A CA 2.336 54.466 52.037 0.156 0.000 0.629 290 A CB -0.661 18.570 19.000 0.384 0.000 0.834 290 A HN 0.359 nan 8.150 nan 0.000 0.447 291 E N -0.422 119.817 120.200 0.065 0.000 2.028 291 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 291 E C 2.083 178.704 176.600 0.035 0.000 0.984 291 E CA 1.495 57.928 56.400 0.056 0.000 0.800 291 E CB -0.544 29.183 29.700 0.045 0.000 0.758 291 E HN 0.605 nan 8.360 nan 0.000 0.448 292 V N -0.083 119.850 119.914 0.031 0.000 2.594 292 V HA -0.179 3.941 4.120 -0.000 0.000 0.253 292 V C 1.996 178.117 176.094 0.045 0.000 1.069 292 V CA 1.858 64.183 62.300 0.041 0.000 1.082 292 V CB -0.699 31.157 31.823 0.056 0.000 0.680 292 V HN 0.307 nan 8.190 nan 0.000 0.469 293 S N -0.979 114.751 115.700 0.050 0.000 2.556 293 S HA 0.172 4.642 4.470 -0.000 0.000 0.216 293 S C 0.932 175.523 174.600 -0.016 0.000 0.970 293 S CA 0.187 58.400 58.200 0.021 0.000 0.912 293 S CB -0.547 62.675 63.200 0.037 0.000 0.790 293 S HN 0.718 nan 8.310 nan 0.000 0.504 294 K N 0.347 120.737 120.400 -0.016 0.000 3.071 294 K HA -0.225 4.095 4.320 -0.000 0.000 0.265 294 K C 1.130 177.668 176.600 -0.104 0.000 1.060 294 K CA 0.391 56.661 56.287 -0.028 0.000 0.767 294 K CB -2.222 30.271 32.500 -0.011 0.000 1.241 294 K HN 0.551 nan 8.250 nan 0.000 0.486 295 A N 0.262 122.945 122.820 -0.227 0.000 1.948 295 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 295 A C 1.266 178.529 177.584 -0.534 0.000 1.177 295 A CA 1.529 53.296 52.037 -0.449 0.000 0.636 295 A CB -0.283 18.300 19.000 -0.694 0.000 0.815 295 A HN 0.368 nan 8.150 nan 0.000 0.449 296 F N -0.241 119.642 119.950 -0.112 0.000 2.668 296 F HA 0.195 4.722 4.527 -0.000 0.000 0.301 296 F C 1.714 177.383 175.800 -0.219 0.000 1.106 296 F CA -0.098 57.727 58.000 -0.292 0.000 1.289 296 F CB -0.011 38.473 39.000 -0.859 0.000 1.006 296 F HN 0.346 nan 8.300 nan 0.000 0.535 297 K N -0.195 120.225 120.400 0.034 0.000 2.281 297 K HA -0.140 4.180 4.320 -0.000 0.000 0.203 297 K C 0.646 177.283 176.600 0.061 0.000 1.046 297 K CA 1.696 58.026 56.287 0.072 0.000 0.938 297 K CB -0.128 32.392 32.500 0.033 0.000 0.737 297 K HN 0.141 nan 8.250 nan 0.000 0.458 298 N N 0.641 119.367 118.700 0.044 0.000 2.205 298 N HA 0.020 4.760 4.740 -0.000 0.000 0.201 298 N C -0.452 175.073 175.510 0.026 0.000 1.128 298 N CA 0.242 53.307 53.050 0.025 0.000 0.867 298 N CB 0.748 39.241 38.487 0.009 0.000 0.996 298 N HN 0.125 nan 8.380 nan 0.000 0.503 299 T N 0.895 115.490 114.554 0.068 0.000 2.870 299 T HA 0.097 4.447 4.350 -0.000 0.000 0.300 299 T C 1.460 176.173 174.700 0.022 0.000 0.989 299 T CA -0.126 62.018 62.100 0.073 0.000 1.139 299 T CB 2.214 71.172 68.868 0.151 0.000 0.920 299 T HN 0.145 nan 8.240 nan 0.000 0.537 300 R N 1.871 122.319 120.500 -0.087 0.000 2.057 300 R HA 0.033 4.373 4.340 -0.000 0.000 0.224 300 R C -0.405 175.663 176.300 -0.387 0.000 1.136 300 R CA 0.980 56.896 56.100 -0.308 0.000 0.968 300 R CB 0.209 30.218 30.300 -0.486 0.000 0.863 300 R HN 0.599 nan 8.270 nan 0.000 0.433 301 Y N -0.989 119.366 120.300 0.091 0.000 2.409 301 Y HA 0.367 4.917 4.550 -0.000 0.000 0.343 301 Y C -1.189 174.799 175.900 0.147 0.000 0.973 301 Y CA -1.382 56.780 58.100 0.104 0.000 1.064 301 Y CB 1.605 40.094 38.460 0.049 0.000 1.207 301 Y HN -0.049 nan 8.280 nan 0.000 0.452 302 F N 4.687 124.735 119.950 0.163 0.000 2.460 302 F HA 0.713 5.240 4.527 -0.000 0.000 0.341 302 F C -1.568 174.258 175.800 0.043 0.000 1.130 302 F CA -0.935 57.082 58.000 0.029 0.000 0.962 302 F CB 0.669 39.677 39.000 0.013 0.000 1.171 302 F HN 0.333 nan 8.300 nan 0.000 0.436 303 L N 5.477 126.521 121.223 -0.300 0.000 2.334 303 L HA 0.602 4.942 4.340 -0.000 0.000 0.276 303 L C -0.773 175.957 176.870 -0.233 0.000 1.014 303 L CA -0.785 53.962 54.840 -0.155 0.000 0.815 303 L CB 1.959 43.970 42.059 -0.080 0.000 1.268 303 L HN 0.580 nan 8.230 nan 0.000 0.428 304 Q N 2.634 122.401 119.800 -0.056 0.000 2.372 304 Q HA 0.668 5.008 4.340 -0.000 0.000 0.273 304 Q C -1.750 174.269 176.000 0.032 0.000 1.078 304 Q CA -0.632 55.184 55.803 0.021 0.000 0.806 304 Q CB 2.828 31.662 28.738 0.160 0.000 1.332 304 Q HN 0.627 nan 8.270 nan 0.000 0.435 305 I N 2.899 123.485 120.570 0.027 0.000 2.447 305 I HA 0.458 4.627 4.170 -0.000 0.000 0.287 305 I C -0.962 175.164 176.117 0.015 0.000 1.023 305 I CA -0.503 60.807 61.300 0.017 0.000 1.083 305 I CB 1.843 39.844 38.000 0.001 0.000 1.245 305 I HN 0.538 nan 8.210 nan 0.000 0.434 306 D N 4.742 125.157 120.400 0.025 0.000 2.661 306 D HA 0.326 4.966 4.640 -0.000 0.000 0.228 306 D C -0.005 176.304 176.300 0.015 0.000 1.210 306 D CA -0.469 53.541 54.000 0.018 0.000 0.826 306 D CB 3.108 43.933 40.800 0.041 0.000 1.542 306 D HN 0.487 nan 8.370 nan 0.000 0.447 307 I N 0.943 121.516 120.570 0.007 0.000 3.226 307 I HA -0.021 4.149 4.170 -0.000 0.000 0.277 307 I C 0.067 176.188 176.117 0.006 0.000 1.243 307 I CA 0.410 61.713 61.300 0.006 0.000 1.459 307 I CB 0.378 38.380 38.000 0.003 0.000 1.093 307 I HN 0.181 nan 8.210 nan 0.000 0.453 308 D N 0.218 120.622 120.400 0.006 0.000 2.349 308 D HA 0.212 4.852 4.640 -0.000 0.000 0.232 308 D C -1.805 174.506 176.300 0.019 0.000 1.071 308 D CA -2.590 51.413 54.000 0.005 0.000 0.832 308 D CB 1.759 42.551 40.800 -0.013 0.000 1.086 308 D HN -0.093 nan 8.370 nan 0.000 0.504 309 P HA -0.101 nan 4.420 nan 0.000 0.217 309 P C 0.902 178.219 177.300 0.028 0.000 1.148 309 P CA 1.101 64.215 63.100 0.024 0.000 0.828 309 P CB 0.200 31.911 31.700 0.018 0.000 0.783 310 A N -0.556 122.277 122.820 0.022 0.000 2.172 310 A HA -0.141 4.178 4.320 -0.000 0.000 0.216 310 A C 1.883 179.493 177.584 0.042 0.000 1.154 310 A CA 1.334 53.386 52.037 0.025 0.000 0.701 310 A CB -0.660 18.348 19.000 0.014 0.000 0.789 310 A HN 0.067 nan 8.150 nan 0.000 0.465 311 K N -0.445 119.987 120.400 0.053 0.000 2.361 311 K HA 0.250 4.570 4.320 -0.000 0.000 0.194 311 K C 0.075 176.745 176.600 0.117 0.000 1.032 311 K CA 0.006 56.347 56.287 0.089 0.000 1.048 311 K CB -0.116 32.436 32.500 0.088 0.000 0.842 311 K HN 0.456 nan 8.250 nan 0.000 0.526 312 L N 1.453 122.729 121.223 0.089 0.000 2.500 312 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 312 L C 1.108 178.036 176.870 0.096 0.000 1.149 312 L CA 0.337 55.236 54.840 0.097 0.000 0.897 312 L CB -0.184 41.916 42.059 0.068 0.000 1.178 312 L HN 0.440 nan 8.230 nan 0.000 0.473 313 G N 2.504 111.382 108.800 0.131 0.000 2.179 313 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.257 313 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.257 313 G C 1.092 176.030 174.900 0.064 0.000 1.010 313 G CA 0.771 45.928 45.100 0.095 0.000 0.736 313 G HN 0.782 nan 8.290 nan 0.000 0.513 314 K N -0.367 120.097 120.400 0.107 0.000 2.025 314 K HA 0.000 4.320 4.320 -0.000 0.000 0.207 314 K C 2.489 179.133 176.600 0.072 0.000 1.049 314 K CA 1.134 57.475 56.287 0.090 0.000 0.933 314 K CB -0.138 32.437 32.500 0.125 0.000 0.714 314 K HN 0.261 nan 8.250 nan 0.000 0.438 315 R N -0.539 120.018 120.500 0.094 0.000 2.280 315 R HA 0.130 4.470 4.340 -0.000 0.000 0.195 315 R C 0.214 176.490 176.300 -0.041 0.000 0.935 315 R CA 0.414 56.558 56.100 0.073 0.000 1.033 315 R CB 0.207 30.619 30.300 0.186 0.000 0.964 315 R HN 0.395 nan 8.270 nan 0.000 0.489 316 H N -0.345 118.495 119.070 -0.382 0.000 3.081 316 H HA 0.099 4.655 4.556 -0.000 0.000 0.322 316 H C -1.200 173.864 175.328 -0.440 0.000 1.266 316 H CA -0.761 54.939 56.048 -0.580 0.000 1.279 316 H CB 1.977 30.939 29.762 -1.333 0.000 1.954 316 H HN -0.184 nan 8.280 nan 0.000 0.530 317 K N 2.346 122.301 120.400 -0.742 0.000 2.466 317 K HA 0.065 4.385 4.320 -0.000 0.000 0.278 317 K C -0.904 175.583 176.600 -0.188 0.000 1.048 317 K CA 0.673 56.721 56.287 -0.399 0.000 1.088 317 K CB 0.316 32.590 32.500 -0.377 0.000 0.884 317 K HN 0.403 nan 8.250 nan 0.000 0.478 318 T N 4.671 119.235 114.554 0.017 0.000 2.779 318 T HA 0.153 4.503 4.350 -0.000 0.000 0.280 318 T C 0.172 174.963 174.700 0.152 0.000 0.987 318 T CA -0.826 61.407 62.100 0.222 0.000 0.966 318 T CB 1.396 70.426 68.868 0.270 0.000 0.933 318 T HN 0.614 nan 8.240 nan 0.000 0.442 319 D N 2.030 122.542 120.400 0.187 0.000 2.137 319 D HA 0.067 4.707 4.640 -0.000 0.000 0.202 319 D C 0.439 176.779 176.300 0.066 0.000 0.970 319 D CA 1.175 55.249 54.000 0.124 0.000 0.837 319 D CB 0.542 41.439 40.800 0.162 0.000 0.981 319 D HN 0.443 nan 8.370 nan 0.000 0.475 320 I N 0.366 120.973 120.570 0.063 0.000 2.512 320 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 320 I C -0.982 175.164 176.117 0.047 0.000 1.069 320 I CA -0.757 60.563 61.300 0.033 0.000 1.056 320 I CB 2.401 40.400 38.000 -0.002 0.000 1.229 320 I HN -0.216 nan 8.210 nan 0.000 0.429 321 A N 6.431 129.282 122.820 0.052 0.000 2.291 321 A HA 0.754 5.074 4.320 -0.000 0.000 0.311 321 A C -0.684 176.923 177.584 0.038 0.000 1.224 321 A CA -0.524 51.549 52.037 0.060 0.000 0.821 321 A CB 1.020 20.070 19.000 0.083 0.000 1.172 321 A HN 0.433 nan 8.150 nan 0.000 0.494 322 V N 3.778 123.710 119.914 0.030 0.000 2.383 322 V HA 0.224 4.344 4.120 -0.000 0.000 0.275 322 V C -0.068 176.039 176.094 0.021 0.000 1.036 322 V CA -0.401 61.910 62.300 0.018 0.000 0.889 322 V CB 1.132 32.960 31.823 0.008 0.000 0.985 322 V HN 0.786 nan 8.190 nan 0.000 0.459 323 L N 6.141 127.376 121.223 0.019 0.000 2.342 323 L HA 0.741 5.081 4.340 -0.000 0.000 0.285 323 L C 0.190 177.066 176.870 0.010 0.000 1.095 323 L CA 0.761 55.611 54.840 0.017 0.000 0.843 323 L CB -0.031 42.039 42.059 0.017 0.000 1.201 323 L HN 0.882 nan 8.230 nan 0.000 0.445 324 A N 3.472 126.296 122.820 0.008 0.000 2.549 324 A HA 0.360 4.680 4.320 -0.000 0.000 0.291 324 A C -1.451 176.134 177.584 0.001 0.000 1.034 324 A CA -0.780 51.258 52.037 0.003 0.000 0.655 324 A CB 0.281 19.281 19.000 0.000 0.000 1.299 324 A HN 0.595 nan 8.150 nan 0.000 0.427 325 D N 0.869 121.268 120.400 -0.002 0.000 2.425 325 D HA 0.484 5.124 4.640 -0.000 0.000 0.247 325 D C 1.329 177.625 176.300 -0.007 0.000 1.147 325 D CA 0.867 54.866 54.000 -0.003 0.000 0.879 325 D CB 1.335 42.133 40.800 -0.004 0.000 1.179 325 D HN 0.864 nan 8.370 nan 0.000 0.456 326 A N 3.851 126.666 122.820 -0.008 0.000 1.865 326 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 326 A C 1.967 179.537 177.584 -0.023 0.000 1.191 326 A CA 1.708 53.736 52.037 -0.014 0.000 0.623 326 A CB -0.759 18.232 19.000 -0.014 0.000 0.826 326 A HN 0.814 nan 8.150 nan 0.000 0.444 327 Q N -0.221 119.564 119.800 -0.024 0.000 2.046 327 Q HA -0.204 4.136 4.340 -0.000 0.000 0.200 327 Q C 2.018 178.003 176.000 -0.026 0.000 0.975 327 Q CA 1.845 57.629 55.803 -0.031 0.000 0.836 327 Q CB -0.170 28.551 28.738 -0.028 0.000 0.896 327 Q HN 0.702 nan 8.270 nan 0.000 0.428 328 K N -0.482 119.907 120.400 -0.019 0.000 2.063 328 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 328 K C 2.125 178.715 176.600 -0.017 0.000 1.048 328 K CA 1.877 58.154 56.287 -0.016 0.000 0.928 328 K CB -0.109 32.384 32.500 -0.012 0.000 0.713 328 K HN 0.241 nan 8.250 nan 0.000 0.442 329 T N 1.826 116.370 114.554 -0.016 0.000 2.812 329 T HA -0.042 4.308 4.350 -0.000 0.000 0.264 329 T C 1.899 176.588 174.700 -0.018 0.000 1.042 329 T CA 0.906 62.997 62.100 -0.015 0.000 1.140 329 T CB -0.137 68.724 68.868 -0.011 0.000 0.870 329 T HN 0.088 nan 8.240 nan 0.000 0.445 330 L N 0.855 122.064 121.223 -0.024 0.000 2.141 330 L HA -0.019 4.321 4.340 -0.000 0.000 0.209 330 L C 3.001 179.852 176.870 -0.031 0.000 1.094 330 L CA 0.968 55.791 54.840 -0.029 0.000 0.763 330 L CB -0.633 41.400 42.059 -0.043 0.000 0.908 330 L HN 0.236 nan 8.230 nan 0.000 0.437 331 A N 0.104 122.906 122.820 -0.030 0.000 1.930 331 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 331 A C 2.536 180.106 177.584 -0.023 0.000 1.175 331 A CA 1.599 53.619 52.037 -0.028 0.000 0.627 331 A CB -0.594 18.390 19.000 -0.026 0.000 0.815 331 A HN 0.379 nan 8.150 nan 0.000 0.443 332 A N -0.124 122.684 122.820 -0.020 0.000 1.930 332 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 332 A C 2.088 179.661 177.584 -0.018 0.000 1.175 332 A CA 1.361 53.387 52.037 -0.017 0.000 0.627 332 A CB -0.539 18.452 19.000 -0.015 0.000 0.815 332 A HN 0.496 nan 8.150 nan 0.000 0.443 333 I N -0.964 119.595 120.570 -0.018 0.000 2.142 333 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 333 I C 2.395 178.500 176.117 -0.020 0.000 1.078 333 I CA 1.165 62.455 61.300 -0.018 0.000 1.343 333 I CB -0.308 37.683 38.000 -0.015 0.000 1.046 333 I HN 0.351 nan 8.210 nan 0.000 0.405 334 L N 1.297 122.506 121.223 -0.023 0.000 2.079 334 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 334 L C 2.470 179.326 176.870 -0.024 0.000 1.081 334 L CA 2.028 56.853 54.840 -0.026 0.000 0.752 334 L CB -0.720 41.321 42.059 -0.031 0.000 0.896 334 L HN 0.207 nan 8.230 nan 0.000 0.433 335 A N -0.887 121.920 122.820 -0.021 0.000 2.121 335 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 335 A C 1.937 179.510 177.584 -0.018 0.000 1.154 335 A CA 1.384 53.410 52.037 -0.019 0.000 0.679 335 A CB -0.512 18.478 19.000 -0.017 0.000 0.795 335 A HN 0.768 nan 8.150 nan 0.000 0.458 336 Q N -0.404 119.385 119.800 -0.018 0.000 2.194 336 Q HA 0.365 4.705 4.340 -0.000 0.000 0.214 336 Q C 0.056 176.044 176.000 -0.019 0.000 0.838 336 Q CA 0.247 56.039 55.803 -0.018 0.000 0.972 336 Q CB -0.166 28.562 28.738 -0.017 0.000 1.131 336 Q HN 0.484 nan 8.270 nan 0.000 0.498 337 V N -1.688 118.213 119.914 -0.021 0.000 3.113 337 V HA 0.911 5.031 4.120 -0.000 0.000 0.316 337 V C -0.377 175.701 176.094 -0.027 0.000 1.125 337 V CA -0.250 62.036 62.300 -0.024 0.000 1.026 337 V CB 1.811 33.618 31.823 -0.026 0.000 1.080 337 V HN 0.328 nan 8.190 nan 0.000 0.444 338 S N -0.292 115.390 115.700 -0.030 0.000 2.720 338 S HA 0.628 5.098 4.470 -0.000 0.000 0.287 338 S C -0.507 174.067 174.600 -0.043 0.000 1.168 338 S CA -0.625 57.555 58.200 -0.033 0.000 0.832 338 S CB 1.241 64.425 63.200 -0.026 0.000 1.166 338 S HN 1.271 nan 8.310 nan 0.000 0.493 339 E N 0.812 120.985 120.200 -0.046 0.000 2.608 339 E HA 0.050 4.400 4.350 -0.000 0.000 0.259 339 E C -0.529 176.031 176.600 -0.066 0.000 0.951 339 E CA 0.709 57.072 56.400 -0.061 0.000 0.945 339 E CB 0.282 29.952 29.700 -0.049 0.000 0.916 339 E HN 0.468 nan 8.360 nan 0.000 0.477 340 R N 4.060 124.502 120.500 -0.097 0.000 2.562 340 R HA 0.289 4.629 4.340 -0.000 0.000 0.298 340 R C -0.269 175.959 176.300 -0.120 0.000 0.961 340 R CA -0.859 55.185 56.100 -0.094 0.000 0.881 340 R CB 1.439 31.679 30.300 -0.099 0.000 1.159 340 R HN 0.625 nan 8.270 nan 0.000 0.450 341 E N 0.948 121.101 120.200 -0.078 0.000 2.404 341 E HA -0.003 4.347 4.350 -0.000 0.000 0.261 341 E C -0.085 176.457 176.600 -0.097 0.000 1.074 341 E CA -0.020 56.339 56.400 -0.069 0.000 0.917 341 E CB 0.902 30.589 29.700 -0.022 0.000 0.965 341 E HN 0.362 nan 8.360 nan 0.000 0.433 342 S N 1.223 116.873 115.700 -0.083 0.000 2.561 342 S HA -0.032 4.438 4.470 -0.000 0.000 0.294 342 S C -0.135 174.492 174.600 0.045 0.000 1.294 342 S CA 0.125 58.305 58.200 -0.033 0.000 1.055 342 S CB 0.079 63.353 63.200 0.122 0.000 0.819 342 S HN 0.528 nan 8.310 nan 0.000 0.503 343 T N 2.899 117.521 114.554 0.113 0.000 2.932 343 T HA 0.570 4.920 4.350 -0.000 0.000 0.289 343 T C -2.271 172.528 174.700 0.164 0.000 1.039 343 T CA -1.903 60.285 62.100 0.147 0.000 1.024 343 T CB 1.340 70.317 68.868 0.182 0.000 1.090 343 T HN 0.307 nan 8.240 nan 0.000 0.496 344 P HA -0.084 nan 4.420 nan 0.000 0.216 344 P C 1.287 178.690 177.300 0.172 0.000 1.150 344 P CA 0.850 64.048 63.100 0.162 0.000 0.843 344 P CB -0.025 31.821 31.700 0.244 0.000 0.787 345 W N -0.639 120.706 121.300 0.075 0.000 2.355 345 W HA -0.182 4.478 4.660 -0.000 0.000 0.309 345 W C 2.002 178.568 176.519 0.080 0.000 1.206 345 W CA 0.881 58.273 57.345 0.079 0.000 1.284 345 W CB -0.997 28.520 29.460 0.096 0.000 1.145 345 W HN 0.069 nan 8.180 nan 0.000 0.502 346 W N 1.773 123.017 121.300 -0.094 0.000 2.333 346 W HA -0.263 4.397 4.660 -0.000 0.000 0.316 346 W C 2.211 178.507 176.519 -0.371 0.000 1.215 346 W CA 1.688 58.886 57.345 -0.246 0.000 1.278 346 W CB -0.538 28.862 29.460 -0.100 0.000 1.154 346 W HN -0.003 nan 8.180 nan 0.000 0.486 347 Q N 0.416 119.996 119.800 -0.367 0.000 2.124 347 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 347 Q C 2.416 177.890 176.000 -0.877 0.000 0.977 347 Q CA 1.916 57.213 55.803 -0.844 0.000 0.850 347 Q CB -1.088 26.858 28.738 -1.320 0.000 0.901 347 Q HN 0.417 nan 8.270 nan 0.000 0.429 348 A N 1.649 124.136 122.820 -0.555 0.000 1.902 348 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 348 A C 1.934 179.322 177.584 -0.326 0.000 1.181 348 A CA 1.427 53.388 52.037 -0.126 0.000 0.623 348 A CB -0.473 18.590 19.000 0.105 0.000 0.818 348 A HN 0.333 nan 8.150 nan 0.000 0.443 349 N N 0.134 118.506 118.700 -0.547 0.000 2.120 349 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 349 N C 1.786 176.943 175.510 -0.588 0.000 1.024 349 N CA 1.458 54.141 53.050 -0.612 0.000 0.852 349 N CB -0.400 37.621 38.487 -0.777 0.000 1.003 349 N HN 0.485 nan 8.380 nan 0.000 0.424 350 L N 1.030 121.833 121.223 -0.701 0.000 2.012 350 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 350 L C 2.564 179.136 176.870 -0.496 0.000 1.073 350 L CA 1.325 55.774 54.840 -0.653 0.000 0.748 350 L CB -0.557 41.050 42.059 -0.754 0.000 0.891 350 L HN 0.130 nan 8.230 nan 0.000 0.431 351 A N 0.005 122.523 122.820 -0.504 0.000 1.902 351 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 351 A C 2.061 179.116 177.584 -0.881 0.000 1.181 351 A CA 2.103 53.788 52.037 -0.586 0.000 0.623 351 A CB -0.691 18.011 19.000 -0.497 0.000 0.818 351 A HN 0.455 nan 8.150 nan 0.000 0.443 352 N N 0.082 118.279 118.700 -0.840 0.000 2.120 352 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 352 N C 1.513 176.865 175.510 -0.263 0.000 1.024 352 N CA 1.735 54.468 53.050 -0.528 0.000 0.852 352 N CB -0.376 37.958 38.487 -0.255 0.000 1.003 352 N HN 0.162 nan 8.380 nan 0.000 0.424 353 V N 1.007 120.753 119.914 -0.279 0.000 2.287 353 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 353 V C 2.327 178.383 176.094 -0.062 0.000 1.053 353 V CA 1.558 63.772 62.300 -0.144 0.000 1.027 353 V CB -0.437 31.253 31.823 -0.222 0.000 0.646 353 V HN 0.360 nan 8.190 nan 0.000 0.447 354 K N 0.051 120.354 120.400 -0.161 0.000 2.063 354 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 354 K C 2.178 178.751 176.600 -0.044 0.000 1.048 354 K CA 1.735 57.954 56.287 -0.113 0.000 0.928 354 K CB -0.436 31.971 32.500 -0.155 0.000 0.713 354 K HN 0.539 nan 8.250 nan 0.000 0.442 355 N N 0.390 119.063 118.700 -0.045 0.000 2.166 355 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 355 N C 1.724 177.330 175.510 0.160 0.000 1.019 355 N CA 0.980 54.071 53.050 0.068 0.000 0.856 355 N CB -0.094 38.473 38.487 0.133 0.000 0.993 355 N HN 0.417 nan 8.380 nan 0.000 0.426 356 W N 2.026 123.304 121.300 -0.037 0.000 2.381 356 W HA -0.078 4.582 4.660 -0.000 0.000 0.301 356 W C 1.835 178.378 176.519 0.039 0.000 1.205 356 W CA 0.697 58.045 57.345 0.004 0.000 1.285 356 W CB -0.138 29.285 29.460 -0.061 0.000 1.133 356 W HN 0.081 nan 8.180 nan 0.000 0.521 357 R N 0.417 120.894 120.500 -0.039 0.000 2.096 357 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 357 R C 2.499 178.703 176.300 -0.160 0.000 1.127 357 R CA 1.485 57.482 56.100 -0.171 0.000 0.968 357 R CB -0.861 29.398 30.300 -0.069 0.000 0.861 357 R HN 0.146 nan 8.270 nan 0.000 0.440 358 A N 0.829 123.604 122.820 -0.075 0.000 1.902 358 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 358 A C 1.987 179.523 177.584 -0.080 0.000 1.181 358 A CA 1.259 53.261 52.037 -0.059 0.000 0.623 358 A CB -0.716 18.280 19.000 -0.006 0.000 0.818 358 A HN 0.451 nan 8.150 nan 0.000 0.443 359 Y N 0.679 120.859 120.300 -0.199 0.000 2.097 359 Y HA -0.209 4.341 4.550 -0.000 0.000 0.282 359 Y C 1.964 177.645 175.900 -0.365 0.000 1.152 359 Y CA 1.979 59.925 58.100 -0.257 0.000 1.136 359 Y CB -0.461 37.840 38.460 -0.264 0.000 0.975 359 Y HN 0.215 nan 8.280 nan 0.000 0.498 360 L N -0.177 120.663 121.223 -0.640 0.000 2.042 360 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 360 L C 2.806 179.454 176.870 -0.372 0.000 1.076 360 L CA 1.258 55.709 54.840 -0.648 0.000 0.749 360 L CB -1.115 40.557 42.059 -0.645 0.000 0.893 360 L HN 0.374 nan 8.230 nan 0.000 0.432 361 A N 0.260 122.916 122.820 -0.272 0.000 1.933 361 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 361 A C 2.549 180.018 177.584 -0.192 0.000 1.175 361 A CA 1.972 53.902 52.037 -0.179 0.000 0.628 361 A CB -0.713 18.210 19.000 -0.128 0.000 0.814 361 A HN 0.539 nan 8.150 nan 0.000 0.444 362 S N 0.252 115.815 115.700 -0.228 0.000 2.383 362 S HA -0.154 4.316 4.470 -0.000 0.000 0.229 362 S C 1.898 176.347 174.600 -0.251 0.000 1.030 362 S CA 1.577 59.654 58.200 -0.206 0.000 1.002 362 S CB -0.813 62.279 63.200 -0.180 0.000 0.829 362 S HN 0.470 nan 8.310 nan 0.000 0.467 363 L N 1.113 122.092 121.223 -0.406 0.000 2.027 363 L HA -0.058 4.282 4.340 -0.000 0.000 0.206 363 L C 2.980 179.727 176.870 -0.205 0.000 1.074 363 L CA 1.817 56.414 54.840 -0.405 0.000 0.745 363 L CB -0.729 40.817 42.059 -0.855 0.000 0.898 363 L HN 0.366 nan 8.230 nan 0.000 0.433 364 E N 0.055 120.134 120.200 -0.201 0.000 2.153 364 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 364 E C 1.186 177.714 176.600 -0.120 0.000 0.988 364 E CA 1.163 57.472 56.400 -0.153 0.000 0.811 364 E CB -0.007 29.614 29.700 -0.133 0.000 0.746 364 E HN 0.447 nan 8.360 nan 0.000 0.466 365 D N 0.569 120.900 120.400 -0.115 0.000 2.340 365 D HA 0.019 4.659 4.640 -0.000 0.000 0.220 365 D C -0.184 176.072 176.300 -0.074 0.000 1.039 365 D CA 0.266 54.212 54.000 -0.090 0.000 0.866 365 D CB 0.129 40.879 40.800 -0.083 0.000 0.913 365 D HN 0.050 nan 8.370 nan 0.000 0.523 366 K N 0.965 121.322 120.400 -0.073 0.000 2.524 366 K HA -0.000 4.320 4.320 -0.000 0.000 0.279 366 K C 1.107 177.676 176.600 -0.051 0.000 0.993 366 K CA 0.327 56.581 56.287 -0.054 0.000 1.030 366 K CB 0.870 33.345 32.500 -0.041 0.000 0.891 366 K HN -0.065 nan 8.250 nan 0.000 0.488 367 Q N 1.488 121.263 119.800 -0.042 0.000 2.350 367 Q HA 0.021 4.361 4.340 -0.000 0.000 0.225 367 Q C -0.064 175.916 176.000 -0.033 0.000 0.878 367 Q CA 0.786 56.565 55.803 -0.040 0.000 0.935 367 Q CB 0.802 29.519 28.738 -0.034 0.000 1.099 367 Q HN 0.807 nan 8.270 nan 0.000 0.527 368 E N -1.903 118.280 120.200 -0.028 0.000 2.423 368 E HA 0.597 4.947 4.350 -0.000 0.000 0.280 368 E C -0.247 176.341 176.600 -0.020 0.000 1.030 368 E CA -0.589 55.797 56.400 -0.023 0.000 0.812 368 E CB 1.679 31.368 29.700 -0.018 0.000 1.313 368 E HN 0.008 nan 8.360 nan 0.000 0.456 369 G N 0.432 109.221 108.800 -0.017 0.000 2.362 369 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.517 369 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.517 369 G C -2.962 171.928 174.900 -0.017 0.000 1.256 369 G CA -0.590 44.501 45.100 -0.015 0.000 1.027 369 G HN 0.534 nan 8.290 nan 0.000 0.491 370 P HA 0.402 nan 4.420 nan 0.000 0.267 370 P C 0.119 177.402 177.300 -0.028 0.000 1.209 370 P CA -0.318 62.770 63.100 -0.020 0.000 0.763 370 P CB 0.717 32.406 31.700 -0.019 0.000 0.816 371 L N 4.466 125.668 121.223 -0.035 0.000 2.455 371 L HA 0.065 4.405 4.340 -0.000 0.000 0.272 371 L C 0.250 177.077 176.870 -0.072 0.000 1.174 371 L CA 0.917 55.727 54.840 -0.050 0.000 0.869 371 L CB -0.239 41.790 42.059 -0.050 0.000 1.130 371 L HN 0.387 nan 8.230 nan 0.000 0.474 372 Q N 3.173 122.914 119.800 -0.098 0.000 2.359 372 Q HA 0.551 4.891 4.340 -0.000 0.000 0.275 372 Q C 0.906 176.763 176.000 -0.238 0.000 1.082 372 Q CA -0.284 55.398 55.803 -0.200 0.000 0.849 372 Q CB 1.542 30.132 28.738 -0.246 0.000 1.377 372 Q HN 0.790 nan 8.270 nan 0.000 0.452 373 A N 0.452 123.076 122.820 -0.326 0.000 1.986 373 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 373 A C 1.363 178.853 177.584 -0.158 0.000 1.171 373 A CA 1.726 53.708 52.037 -0.091 0.000 0.640 373 A CB -0.703 18.242 19.000 -0.091 0.000 0.811 373 A HN 0.756 nan 8.150 nan 0.000 0.451 374 Y N -0.140 120.074 120.300 -0.143 0.000 2.200 374 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 374 Y C 2.562 178.224 175.900 -0.397 0.000 1.137 374 Y CA 1.477 59.303 58.100 -0.457 0.000 1.163 374 Y CB -0.954 37.268 38.460 -0.397 0.000 0.988 374 Y HN 0.358 nan 8.280 nan 0.000 0.518 375 Q N -0.131 119.608 119.800 -0.101 0.000 2.172 375 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 375 Q C 2.358 178.236 176.000 -0.203 0.000 0.964 375 Q CA 1.141 56.858 55.803 -0.143 0.000 0.855 375 Q CB -0.596 28.080 28.738 -0.104 0.000 0.918 375 Q HN 0.333 nan 8.270 nan 0.000 0.444 376 V N 0.639 120.452 119.914 -0.168 0.000 2.287 376 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 376 V C 2.038 178.016 176.094 -0.193 0.000 1.053 376 V CA 1.725 63.907 62.300 -0.197 0.000 1.027 376 V CB -0.578 31.122 31.823 -0.205 0.000 0.646 376 V HN 0.329 nan 8.190 nan 0.000 0.447 377 L N -0.349 120.835 121.223 -0.066 0.000 2.141 377 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 377 L C 2.776 179.544 176.870 -0.169 0.000 1.094 377 L CA 1.384 56.184 54.840 -0.066 0.000 0.763 377 L CB -0.646 41.398 42.059 -0.025 0.000 0.908 377 L HN 0.259 nan 8.230 nan 0.000 0.437 378 R N 0.893 121.263 120.500 -0.216 0.000 2.081 378 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 378 R C 2.165 178.306 176.300 -0.266 0.000 1.131 378 R CA 1.791 57.772 56.100 -0.198 0.000 0.960 378 R CB -0.364 29.828 30.300 -0.182 0.000 0.856 378 R HN 0.343 nan 8.270 nan 0.000 0.436 379 A N 0.501 123.057 122.820 -0.439 0.000 1.933 379 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 379 A C 2.466 179.647 177.584 -0.672 0.000 1.175 379 A CA 1.602 53.202 52.037 -0.728 0.000 0.628 379 A CB -0.576 17.600 19.000 -1.374 0.000 0.814 379 A HN 0.206 nan 8.150 nan 0.000 0.444 380 V N 1.046 120.657 119.914 -0.505 0.000 2.255 380 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 380 V C 2.352 178.375 176.094 -0.118 0.000 1.051 380 V CA 2.221 64.417 62.300 -0.173 0.000 1.018 380 V CB -1.009 30.707 31.823 -0.178 0.000 0.641 380 V HN 0.562 nan 8.190 nan 0.000 0.445 381 N N 0.241 118.864 118.700 -0.128 0.000 2.094 381 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 381 N C 1.777 177.278 175.510 -0.015 0.000 1.023 381 N CA 1.273 54.289 53.050 -0.057 0.000 0.857 381 N CB -0.336 38.111 38.487 -0.066 0.000 1.013 381 N HN 0.426 nan 8.380 nan 0.000 0.426 382 K N 0.882 121.251 120.400 -0.051 0.000 2.211 382 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 382 K C 1.875 178.504 176.600 0.047 0.000 1.050 382 K CA 0.606 56.882 56.287 -0.018 0.000 0.945 382 K CB -0.048 32.417 32.500 -0.058 0.000 0.732 382 K HN 0.484 nan 8.250 nan 0.000 0.451 383 I N -2.780 117.856 120.570 0.110 0.000 3.956 383 I HA 0.256 4.425 4.170 -0.000 0.000 0.333 383 I C 0.540 176.814 176.117 0.262 0.000 1.302 383 I CA -0.434 60.981 61.300 0.192 0.000 1.122 383 I CB 0.331 38.497 38.000 0.277 0.000 1.013 383 I HN -0.269 nan 8.210 nan 0.000 0.405 384 A N 1.870 124.846 122.820 0.259 0.000 2.409 384 A HA 0.322 4.642 4.320 -0.000 0.000 0.262 384 A C 0.143 177.849 177.584 0.203 0.000 1.113 384 A CA -0.166 52.068 52.037 0.328 0.000 0.790 384 A CB -0.010 19.151 19.000 0.267 0.000 1.046 384 A HN 0.501 nan 8.150 nan 0.000 0.496 385 E N 3.165 123.471 120.200 0.177 0.000 2.390 385 E HA 0.138 4.488 4.350 -0.000 0.000 0.261 385 E C -1.321 175.339 176.600 0.100 0.000 1.076 385 E CA -1.580 54.879 56.400 0.099 0.000 0.905 385 E CB 0.625 30.356 29.700 0.052 0.000 0.984 385 E HN 0.507 nan 8.360 nan 0.000 0.427 386 P HA -0.153 nan 4.420 nan 0.000 0.225 386 P C 0.121 177.460 177.300 0.066 0.000 1.148 386 P CA 1.231 64.373 63.100 0.070 0.000 0.779 386 P CB 0.160 31.888 31.700 0.047 0.000 0.780 387 D N -1.305 119.121 120.400 0.044 0.000 2.501 387 D HA 0.236 4.876 4.640 -0.000 0.000 0.226 387 D C 0.354 176.652 176.300 -0.005 0.000 1.198 387 D CA -0.779 53.231 54.000 0.017 0.000 0.830 387 D CB -0.505 40.287 40.800 -0.013 0.000 1.014 387 D HN -0.027 nan 8.370 nan 0.000 0.496 388 A N 0.619 123.454 122.820 0.025 0.000 2.520 388 A HA 0.385 4.705 4.320 -0.000 0.000 0.235 388 A C 0.272 177.790 177.584 -0.110 0.000 1.065 388 A CA -0.007 51.995 52.037 -0.059 0.000 0.764 388 A CB 0.136 19.115 19.000 -0.036 0.000 1.002 388 A HN 0.392 nan 8.150 nan 0.000 0.502 389 I N 0.865 121.333 120.570 -0.170 0.000 2.441 389 I HA 0.358 4.528 4.170 -0.000 0.000 0.295 389 I C -1.251 174.797 176.117 -0.116 0.000 0.994 389 I CA -0.344 60.919 61.300 -0.061 0.000 1.144 389 I CB 1.514 39.497 38.000 -0.027 0.000 1.314 389 I HN 0.599 nan 8.210 nan 0.000 0.445 390 Y N 3.598 124.024 120.300 0.211 0.000 2.328 390 Y HA 0.322 4.872 4.550 0.000 0.000 0.333 390 Y C 0.378 176.392 175.900 0.189 0.000 0.958 390 Y CA -0.656 57.585 58.100 0.235 0.000 1.167 390 Y CB 1.971 40.541 38.460 0.183 0.000 1.151 390 Y HN 0.425 nan 8.280 nan 0.000 0.470 391 S N 5.195 121.064 115.700 0.281 0.000 2.422 391 S HA 0.639 5.109 4.470 -0.000 0.000 0.298 391 S C -0.677 174.045 174.600 0.203 0.000 1.118 391 S CA -0.409 57.910 58.200 0.199 0.000 1.083 391 S CB -0.285 62.995 63.200 0.135 0.000 0.971 391 S HN 0.571 nan 8.310 nan 0.000 0.478 392 I N 4.323 125.000 120.570 0.178 0.000 2.404 392 I HA 0.355 4.525 4.170 -0.000 0.000 0.293 392 I C 0.693 176.861 176.117 0.084 0.000 0.992 392 I CA -0.843 60.544 61.300 0.144 0.000 1.149 392 I CB 1.615 39.724 38.000 0.182 0.000 1.315 392 I HN 0.612 nan 8.210 nan 0.000 0.446 393 D N 3.939 124.362 120.400 0.038 0.000 2.376 393 D HA 0.351 4.991 4.640 -0.000 0.000 0.281 393 D C -0.856 175.417 176.300 -0.045 0.000 1.215 393 D CA 0.022 54.023 54.000 0.003 0.000 1.062 393 D CB 1.551 42.349 40.800 -0.004 0.000 1.124 393 D HN 0.098 nan 8.370 nan 0.000 0.550 394 V N -0.282 119.580 119.914 -0.086 0.000 2.487 394 V HA 0.673 4.793 4.120 -0.000 0.000 0.298 394 V C 0.709 176.652 176.094 -0.251 0.000 1.028 394 V CA 0.234 62.430 62.300 -0.173 0.000 0.860 394 V CB 0.846 32.591 31.823 -0.130 0.000 0.991 394 V HN 0.900 nan 8.190 nan 0.000 0.427 395 G N 3.755 112.254 108.800 -0.502 0.000 2.291 395 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.249 395 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.249 395 G C -0.086 174.440 174.900 -0.623 0.000 1.340 395 G CA 0.046 44.825 45.100 -0.535 0.000 1.017 395 G HN 0.431 nan 8.290 nan 0.000 0.470 396 D N -0.362 119.971 120.400 -0.110 0.000 2.182 396 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 396 D C 2.396 178.586 176.300 -0.184 0.000 0.986 396 D CA 1.228 55.252 54.000 0.040 0.000 0.847 396 D CB -0.033 40.838 40.800 0.119 0.000 0.942 396 D HN 0.290 nan 8.370 nan 0.000 0.467 397 I N 1.468 121.858 120.570 -0.300 0.000 2.248 397 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 397 I C 1.356 177.293 176.117 -0.299 0.000 1.107 397 I CA 1.407 62.472 61.300 -0.392 0.000 1.373 397 I CB -0.422 37.320 38.000 -0.431 0.000 1.055 397 I HN -0.020 nan 8.210 nan 0.000 0.418 398 N N 0.093 118.580 118.700 -0.355 0.000 2.084 398 N HA -0.202 4.538 4.740 -0.000 0.000 0.190 398 N C 1.940 177.178 175.510 -0.454 0.000 1.030 398 N CA 1.675 54.476 53.050 -0.415 0.000 0.849 398 N CB -0.405 37.743 38.487 -0.565 0.000 1.012 398 N HN 0.447 nan 8.380 nan 0.000 0.423 399 L N 0.919 121.948 121.223 -0.324 0.000 1.994 399 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 399 L C 1.613 178.461 176.870 -0.036 0.000 1.071 399 L CA 1.459 56.241 54.840 -0.097 0.000 0.745 399 L CB -0.257 41.914 42.059 0.186 0.000 0.892 399 L HN 0.216 nan 8.230 nan 0.000 0.431 400 N N 0.429 119.117 118.700 -0.019 0.000 2.142 400 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 400 N C 1.834 177.381 175.510 0.062 0.000 1.023 400 N CA 1.564 54.668 53.050 0.091 0.000 0.852 400 N CB -0.460 38.054 38.487 0.046 0.000 0.998 400 N HN 0.514 nan 8.380 nan 0.000 0.424 401 A N 1.267 124.044 122.820 -0.072 0.000 1.933 401 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 401 A C 2.149 179.694 177.584 -0.065 0.000 1.175 401 A CA 1.721 53.709 52.037 -0.081 0.000 0.628 401 A CB -0.788 18.147 19.000 -0.108 0.000 0.814 401 A HN 0.342 nan 8.150 nan 0.000 0.444 402 N N -0.294 118.379 118.700 -0.045 0.000 2.104 402 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 402 N C 1.847 177.370 175.510 0.022 0.000 1.024 402 N CA 1.865 54.930 53.050 0.024 0.000 0.853 402 N CB -0.248 38.215 38.487 -0.040 0.000 1.008 402 N HN 0.532 nan 8.380 nan 0.000 0.424 403 R N -1.530 118.948 120.500 -0.038 0.000 2.093 403 R HA 0.040 4.380 4.340 -0.000 0.000 0.224 403 R C 1.586 177.714 176.300 -0.287 0.000 1.101 403 R CA 1.058 57.072 56.100 -0.143 0.000 0.979 403 R CB -0.169 29.963 30.300 -0.279 0.000 0.877 403 R HN 0.466 nan 8.270 nan 0.000 0.441 404 H N -0.150 118.898 119.070 -0.036 0.000 2.557 404 H HA 0.190 4.746 4.556 -0.000 0.000 0.281 404 H C 0.622 175.885 175.328 -0.108 0.000 0.990 404 H CA 0.059 56.062 56.048 -0.075 0.000 1.278 404 H CB 0.301 30.029 29.762 -0.056 0.000 1.451 404 H HN 0.002 nan 8.280 nan 0.000 0.516 405 L N 2.257 123.446 121.223 -0.057 0.000 2.490 405 L HA 0.023 4.362 4.340 -0.000 0.000 0.274 405 L C 0.350 177.141 176.870 -0.131 0.000 1.201 405 L CA 0.464 55.190 54.840 -0.190 0.000 0.869 405 L CB 0.511 42.315 42.059 -0.424 0.000 1.123 405 L HN -0.108 nan 8.230 nan 0.000 0.484 406 K N 5.370 125.708 120.400 -0.104 0.000 2.356 406 K HA 0.462 4.782 4.320 -0.000 0.000 0.243 406 K C -0.825 175.753 176.600 -0.036 0.000 1.072 406 K CA -0.181 56.079 56.287 -0.046 0.000 1.014 406 K CB 0.623 33.113 32.500 -0.017 0.000 1.523 406 K HN 0.438 nan 8.250 nan 0.000 0.455 407 L N 1.521 122.712 121.223 -0.053 0.000 2.344 407 L HA 0.508 4.848 4.340 -0.000 0.000 0.272 407 L C 0.702 177.570 176.870 -0.003 0.000 1.035 407 L CA -0.653 54.172 54.840 -0.026 0.000 0.807 407 L CB 1.686 43.702 42.059 -0.072 0.000 1.237 407 L HN 0.560 nan 8.230 nan 0.000 0.442 408 T N -2.675 111.895 114.554 0.027 0.000 2.864 408 T HA 0.417 4.767 4.350 -0.000 0.000 0.289 408 T C -2.375 172.340 174.700 0.025 0.000 1.082 408 T CA -1.831 60.279 62.100 0.016 0.000 1.009 408 T CB 1.829 70.711 68.868 0.024 0.000 1.234 408 T HN 0.214 nan 8.240 nan 0.000 0.526 409 P HA -0.041 nan 4.420 nan 0.000 0.220 409 P C 1.403 178.715 177.300 0.020 0.000 1.144 409 P CA 0.968 64.074 63.100 0.010 0.000 0.800 409 P CB -0.098 31.597 31.700 -0.009 0.000 0.772 410 S N -1.656 114.059 115.700 0.024 0.000 2.489 410 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 410 S C 0.831 175.449 174.600 0.030 0.000 0.995 410 S CA 0.461 58.673 58.200 0.021 0.000 0.934 410 S CB -0.780 62.433 63.200 0.023 0.000 0.771 410 S HN 0.347 nan 8.310 nan 0.000 0.522 411 N N 0.985 119.728 118.700 0.072 0.000 2.463 411 N HA 0.367 5.107 4.740 -0.000 0.000 0.270 411 N C -0.180 175.399 175.510 0.116 0.000 1.205 411 N CA -0.381 52.743 53.050 0.124 0.000 0.974 411 N CB 0.574 39.195 38.487 0.223 0.000 1.197 411 N HN -0.038 nan 8.380 nan 0.000 0.504 412 R N 0.580 121.166 120.500 0.142 0.000 2.750 412 R HA 0.394 4.734 4.340 -0.000 0.000 0.281 412 R C -1.139 175.345 176.300 0.307 0.000 0.972 412 R CA -0.809 55.381 56.100 0.149 0.000 0.912 412 R CB 1.271 31.590 30.300 0.032 0.000 1.187 412 R HN 0.904 nan 8.270 nan 0.000 0.464 413 H N -0.590 118.553 119.070 0.122 0.000 2.894 413 H HA 0.755 5.311 4.556 -0.000 0.000 0.367 413 H C -0.488 174.876 175.328 0.061 0.000 1.144 413 H CA -1.031 55.104 56.048 0.145 0.000 1.180 413 H CB 1.642 31.477 29.762 0.121 0.000 1.758 413 H HN 0.574 nan 8.280 nan 0.000 0.541 414 I N -0.156 120.447 120.570 0.054 0.000 2.769 414 I HA 0.807 4.976 4.170 -0.000 0.000 0.298 414 I C -0.888 175.256 176.117 0.045 0.000 1.128 414 I CA -0.786 60.492 61.300 -0.036 0.000 1.031 414 I CB 2.553 40.556 38.000 0.005 0.000 1.235 414 I HN 0.781 nan 8.210 nan 0.000 0.423 415 T N 1.257 115.817 114.554 0.011 0.000 2.681 415 T HA 0.360 4.710 4.350 -0.000 0.000 0.296 415 T C -0.934 173.789 174.700 0.038 0.000 1.157 415 T CA -0.459 61.677 62.100 0.060 0.000 1.025 415 T CB 1.910 70.858 68.868 0.134 0.000 1.441 415 T HN 0.752 nan 8.240 nan 0.000 0.504 416 S N 1.792 117.529 115.700 0.061 0.000 2.701 416 S HA 0.210 4.680 4.470 -0.000 0.000 0.317 416 S C 1.023 175.678 174.600 0.092 0.000 1.149 416 S CA -0.580 57.668 58.200 0.079 0.000 1.052 416 S CB -0.786 62.476 63.200 0.104 0.000 1.257 416 S HN 0.540 nan 8.310 nan 0.000 0.532 417 N N 3.580 122.322 118.700 0.069 0.000 2.120 417 N HA -0.063 4.677 4.740 -0.000 0.000 0.188 417 N C 1.217 176.802 175.510 0.125 0.000 1.024 417 N CA 1.135 54.239 53.050 0.090 0.000 0.852 417 N CB -0.215 38.290 38.487 0.031 0.000 1.003 417 N HN 0.585 nan 8.380 nan 0.000 0.424 418 L N -1.796 119.499 121.223 0.121 0.000 2.600 418 L HA 0.317 4.657 4.340 -0.000 0.000 0.213 418 L C 1.530 178.501 176.870 0.169 0.000 1.045 418 L CA 0.377 55.291 54.840 0.123 0.000 0.863 418 L CB -0.587 41.539 42.059 0.111 0.000 1.189 418 L HN -0.100 nan 8.230 nan 0.000 0.484 419 F N 2.176 122.152 119.950 0.043 0.000 2.234 419 F HA 0.203 4.730 4.527 -0.000 0.000 0.299 419 F C 1.627 177.447 175.800 0.034 0.000 1.087 419 F CA 0.803 58.832 58.000 0.048 0.000 1.340 419 F CB -0.346 38.699 39.000 0.074 0.000 1.031 419 F HN 0.228 nan 8.300 nan 0.000 0.500 420 A N 0.875 123.739 122.820 0.072 0.000 2.687 420 A HA -0.253 4.067 4.320 -0.000 0.000 0.299 420 A C 0.770 178.283 177.584 -0.117 0.000 1.497 420 A CA 0.936 52.961 52.037 -0.020 0.000 0.751 420 A CB -2.663 16.321 19.000 -0.026 0.000 1.048 420 A HN 0.453 nan 8.150 nan 0.000 0.464 421 T N 0.754 115.281 114.554 -0.044 0.000 2.799 421 T HA 0.491 4.841 4.350 -0.000 0.000 0.296 421 T C 0.741 175.423 174.700 -0.031 0.000 0.947 421 T CA 0.006 62.071 62.100 -0.058 0.000 1.141 421 T CB -0.191 68.756 68.868 0.132 0.000 0.891 421 T HN 0.459 nan 8.240 nan 0.000 0.533 422 M N 3.991 123.551 119.600 -0.066 0.000 2.245 422 M HA 0.306 4.786 4.480 -0.000 0.000 0.312 422 M C 1.693 177.978 176.300 -0.026 0.000 1.070 422 M CA 1.448 56.722 55.300 -0.043 0.000 1.162 422 M CB 0.263 32.834 32.600 -0.048 0.000 1.448 422 M HN 0.999 nan 8.290 nan 0.000 0.446 423 G N -0.096 108.694 108.800 -0.016 0.000 2.213 423 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.226 423 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.226 423 G C 0.479 175.369 174.900 -0.018 0.000 0.992 423 G CA 0.292 45.378 45.100 -0.023 0.000 0.632 423 G HN 0.838 nan 8.290 nan 0.000 0.511 424 V N -0.210 119.703 119.914 -0.002 0.000 2.970 424 V HA 0.349 4.469 4.120 -0.000 0.000 0.260 424 V C 2.560 178.663 176.094 0.015 0.000 1.100 424 V CA 2.044 64.348 62.300 0.005 0.000 1.122 424 V CB -0.966 30.871 31.823 0.024 0.000 0.721 424 V HN 0.929 nan 8.190 nan 0.000 0.483 425 G N 1.061 109.875 108.800 0.023 0.000 2.459 425 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 425 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 425 G C 1.494 176.419 174.900 0.040 0.000 1.183 425 G CA 1.436 46.564 45.100 0.046 0.000 0.776 425 G HN 0.531 nan 8.290 nan 0.000 0.552 426 I N 1.810 122.392 120.570 0.020 0.000 2.142 426 I HA -0.110 4.060 4.170 -0.000 0.000 0.240 426 I C 0.024 176.138 176.117 -0.004 0.000 1.078 426 I CA 1.233 62.541 61.300 0.014 0.000 1.343 426 I CB -0.755 37.251 38.000 0.011 0.000 1.046 426 I HN 0.189 nan 8.210 nan 0.000 0.405 427 P HA -0.115 nan 4.420 nan 0.000 0.217 427 P C 1.614 178.880 177.300 -0.056 0.000 1.150 427 P CA 1.861 64.912 63.100 -0.083 0.000 0.832 427 P CB -0.309 31.316 31.700 -0.125 0.000 0.787 428 G N 0.357 109.150 108.800 -0.011 0.000 2.432 428 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 428 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 428 G C 1.728 176.660 174.900 0.053 0.000 1.135 428 G CA 0.954 46.070 45.100 0.026 0.000 0.767 428 G HN 0.367 nan 8.290 nan 0.000 0.550 429 A N 0.500 123.350 122.820 0.050 0.000 1.930 429 A HA 0.202 4.522 4.320 -0.000 0.000 0.215 429 A C 2.352 179.960 177.584 0.041 0.000 1.176 429 A CA 0.839 52.909 52.037 0.056 0.000 0.632 429 A CB -0.248 18.784 19.000 0.054 0.000 0.819 429 A HN 0.344 nan 8.150 nan 0.000 0.445 430 I N -0.051 120.534 120.570 0.026 0.000 2.127 430 I HA -0.319 3.851 4.170 -0.000 0.000 0.241 430 I C 2.992 179.136 176.117 0.045 0.000 1.075 430 I CA 1.238 62.553 61.300 0.026 0.000 1.334 430 I CB -0.293 37.714 38.000 0.011 0.000 1.040 430 I HN 0.358 nan 8.210 nan 0.000 0.405 431 A N 0.557 123.418 122.820 0.068 0.000 1.902 431 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 431 A C 2.531 180.188 177.584 0.121 0.000 1.181 431 A CA 1.873 53.997 52.037 0.144 0.000 0.623 431 A CB -0.909 18.176 19.000 0.142 0.000 0.818 431 A HN 0.448 nan 8.150 nan 0.000 0.443 432 A N -0.236 122.660 122.820 0.126 0.000 1.883 432 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 432 A C 2.094 179.783 177.584 0.175 0.000 1.186 432 A CA 2.439 54.594 52.037 0.197 0.000 0.624 432 A CB -0.419 18.675 19.000 0.156 0.000 0.822 432 A HN 0.417 nan 8.150 nan 0.000 0.444 433 K N -0.105 120.342 120.400 0.079 0.000 2.148 433 K HA 0.081 4.401 4.320 -0.000 0.000 0.204 433 K C 1.723 178.314 176.600 -0.015 0.000 1.050 433 K CA 1.078 57.389 56.287 0.041 0.000 0.942 433 K CB -0.529 31.979 32.500 0.014 0.000 0.724 433 K HN 0.487 nan 8.250 nan 0.000 0.446 434 L N 0.557 121.729 121.223 -0.084 0.000 2.056 434 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 434 L C 1.831 178.569 176.870 -0.221 0.000 1.078 434 L CA 1.150 55.841 54.840 -0.248 0.000 0.749 434 L CB -0.414 41.312 42.059 -0.555 0.000 0.901 434 L HN 0.259 nan 8.230 nan 0.000 0.433 435 N N -0.822 117.775 118.700 -0.171 0.000 2.354 435 N HA -0.098 4.642 4.740 -0.000 0.000 0.179 435 N C -0.199 174.975 175.510 -0.560 0.000 1.021 435 N CA 1.035 53.864 53.050 -0.368 0.000 0.887 435 N CB 0.242 38.396 38.487 -0.555 0.000 0.974 435 N HN 0.299 nan 8.380 nan 0.000 0.437 436 Y N -0.743 119.569 120.300 0.020 0.000 2.535 436 Y HA 0.353 4.903 4.550 -0.000 0.000 0.351 436 Y C -1.909 173.987 175.900 -0.007 0.000 1.050 436 Y CA -1.822 56.286 58.100 0.014 0.000 1.168 436 Y CB 1.533 40.004 38.460 0.018 0.000 1.116 436 Y HN -0.058 nan 8.280 nan 0.000 0.654 437 P HA -0.146 nan 4.420 nan 0.000 0.219 437 P C 0.990 178.313 177.300 0.039 0.000 1.146 437 P CA 1.525 64.648 63.100 0.037 0.000 0.808 437 P CB 0.514 32.220 31.700 0.010 0.000 0.779 438 E N -1.339 118.899 120.200 0.062 0.000 2.474 438 E HA 0.086 4.436 4.350 -0.000 0.000 0.194 438 E C 0.692 177.306 176.600 0.023 0.000 1.041 438 E CA 0.243 56.664 56.400 0.036 0.000 0.874 438 E CB 0.045 29.770 29.700 0.043 0.000 0.914 438 E HN 0.344 nan 8.360 nan 0.000 0.498 439 R N 1.150 121.676 120.500 0.042 0.000 2.486 439 R HA 0.240 4.580 4.340 -0.000 0.000 0.286 439 R C 0.353 176.623 176.300 -0.049 0.000 0.999 439 R CA -0.413 55.683 56.100 -0.006 0.000 0.993 439 R CB 1.331 31.615 30.300 -0.027 0.000 1.084 439 R HN 0.076 nan 8.270 nan 0.000 0.487 440 Q N 1.890 121.636 119.800 -0.089 0.000 2.332 440 Q HA 0.187 4.527 4.340 -0.000 0.000 0.263 440 Q C -1.136 174.729 176.000 -0.226 0.000 0.979 440 Q CA 0.060 55.755 55.803 -0.178 0.000 0.885 440 Q CB 0.955 29.589 28.738 -0.173 0.000 1.218 440 Q HN 0.280 nan 8.270 nan 0.000 0.405 441 V N 5.358 125.086 119.914 -0.310 0.000 2.531 441 V HA 0.433 4.553 4.120 -0.000 0.000 0.301 441 V C -0.955 174.924 176.094 -0.358 0.000 1.034 441 V CA -0.627 61.534 62.300 -0.231 0.000 0.865 441 V CB 1.259 33.032 31.823 -0.084 0.000 0.995 441 V HN 0.640 nan 8.190 nan 0.000 0.424 442 F N 2.802 122.675 119.950 -0.129 0.000 2.458 442 F HA 0.556 5.083 4.527 0.000 0.000 0.330 442 F C 0.364 176.203 175.800 0.065 0.000 1.082 442 F CA -0.542 57.451 58.000 -0.012 0.000 0.995 442 F CB 1.692 40.718 39.000 0.043 0.000 1.170 442 F HN 0.523 nan 8.300 nan 0.000 0.478 443 N N 3.263 122.130 118.700 0.279 0.000 2.443 443 N HA 0.422 5.162 4.740 -0.000 0.000 0.269 443 N C -1.881 173.787 175.510 0.264 0.000 0.985 443 N CA -0.346 52.834 53.050 0.217 0.000 0.921 443 N CB 0.680 39.239 38.487 0.120 0.000 1.195 443 N HN 0.579 nan 8.380 nan 0.000 0.492 444 L N 2.514 123.895 121.223 0.263 0.000 2.294 444 L HA 0.827 5.167 4.340 -0.000 0.000 0.283 444 L C -0.366 176.593 176.870 0.149 0.000 1.015 444 L CA -0.881 54.125 54.840 0.278 0.000 0.831 444 L CB 1.202 43.404 42.059 0.238 0.000 1.217 444 L HN 0.651 nan 8.230 nan 0.000 0.420 445 A N 2.310 125.238 122.820 0.179 0.000 2.486 445 A HA 0.800 5.120 4.320 -0.000 0.000 0.300 445 A C -0.043 177.602 177.584 0.102 0.000 1.048 445 A CA -0.360 51.717 52.037 0.068 0.000 0.696 445 A CB 1.594 20.604 19.000 0.016 0.000 1.278 445 A HN 0.681 nan 8.150 nan 0.000 0.405 446 G N 0.328 109.149 108.800 0.035 0.000 2.634 446 G HA2 0.381 4.341 3.960 -0.000 0.000 0.255 446 G HA3 0.381 4.341 3.960 -0.000 0.000 0.255 446 G C 0.433 175.371 174.900 0.064 0.000 1.205 446 G CA 0.401 45.554 45.100 0.087 0.000 0.884 446 G HN 0.831 nan 8.290 nan 0.000 0.549 447 D N -0.223 120.246 120.400 0.115 0.000 2.178 447 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 447 D C 2.199 178.634 176.300 0.225 0.000 0.974 447 D CA 1.318 55.397 54.000 0.132 0.000 0.841 447 D CB -0.916 40.053 40.800 0.280 0.000 0.953 447 D HN 0.469 nan 8.370 nan 0.000 0.478 448 G N 0.511 109.490 108.800 0.298 0.000 2.421 448 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 448 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 448 G C 1.723 176.765 174.900 0.236 0.000 1.171 448 G CA 0.992 46.307 45.100 0.359 0.000 0.775 448 G HN 0.490 nan 8.290 nan 0.000 0.543 449 G N 0.936 109.830 108.800 0.157 0.000 2.394 449 G HA2 0.111 4.071 3.960 -0.000 0.000 0.215 449 G HA3 0.111 4.071 3.960 -0.000 0.000 0.215 449 G C 2.064 176.993 174.900 0.048 0.000 1.165 449 G CA 1.440 46.582 45.100 0.071 0.000 0.784 449 G HN 0.631 nan 8.290 nan 0.000 0.535 450 A N 1.371 124.200 122.820 0.014 0.000 1.933 450 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 450 A C 2.727 180.425 177.584 0.189 0.000 1.175 450 A CA 2.583 54.602 52.037 -0.031 0.000 0.628 450 A CB -0.718 18.034 19.000 -0.413 0.000 0.814 450 A HN 0.746 nan 8.150 nan 0.000 0.444 451 S N -0.587 115.301 115.700 0.313 0.000 2.423 451 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 451 S C 1.958 176.626 174.600 0.113 0.000 1.014 451 S CA 1.510 59.902 58.200 0.319 0.000 0.965 451 S CB -0.587 62.749 63.200 0.227 0.000 0.785 451 S HN 0.508 nan 8.310 nan 0.000 0.495 452 M N 1.876 121.514 119.600 0.063 0.000 2.229 452 M HA -0.041 4.439 4.480 -0.000 0.000 0.264 452 M C 1.636 177.894 176.300 -0.071 0.000 1.063 452 M CA 1.685 56.975 55.300 -0.016 0.000 1.114 452 M CB -0.540 32.040 32.600 -0.033 0.000 1.387 452 M HN 0.662 nan 8.290 nan 0.000 0.420 453 T N -3.216 111.320 114.554 -0.030 0.000 3.182 453 T HA 0.270 4.620 4.350 -0.000 0.000 0.277 453 T C 1.178 175.887 174.700 0.015 0.000 1.013 453 T CA -0.380 61.685 62.100 -0.058 0.000 0.900 453 T CB -0.416 68.410 68.868 -0.071 0.000 1.098 453 T HN 0.420 nan 8.240 nan 0.000 0.543 454 M N 1.240 120.886 119.600 0.078 0.000 2.195 454 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 454 M C 2.305 178.644 176.300 0.066 0.000 1.066 454 M CA 1.859 57.243 55.300 0.141 0.000 1.089 454 M CB -0.836 31.882 32.600 0.196 0.000 1.377 454 M HN 0.229 nan 8.290 nan 0.000 0.411 455 Q N 0.889 120.707 119.800 0.031 0.000 2.234 455 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 455 Q C 0.699 176.716 176.000 0.029 0.000 0.980 455 Q CA 1.984 57.801 55.803 0.023 0.000 0.869 455 Q CB -1.077 27.683 28.738 0.036 0.000 0.912 455 Q HN 0.682 nan 8.270 nan 0.000 0.436 456 D N 0.515 120.933 120.400 0.030 0.000 2.340 456 D HA 0.121 4.761 4.640 -0.000 0.000 0.220 456 D C 1.747 178.067 176.300 0.034 0.000 1.039 456 D CA -0.044 53.975 54.000 0.032 0.000 0.866 456 D CB 0.243 41.053 40.800 0.017 0.000 0.913 456 D HN 0.277 nan 8.370 nan 0.000 0.523 457 L N 0.941 122.187 121.223 0.038 0.000 2.127 457 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 457 L C 2.625 179.504 176.870 0.015 0.000 1.089 457 L CA 1.014 55.875 54.840 0.034 0.000 0.757 457 L CB -0.375 41.713 42.059 0.049 0.000 0.899 457 L HN 0.005 nan 8.230 nan 0.000 0.434 458 A N -0.641 122.184 122.820 0.008 0.000 2.019 458 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 458 A C 2.337 179.926 177.584 0.009 0.000 1.164 458 A CA 2.154 54.187 52.037 -0.006 0.000 0.644 458 A CB -0.718 18.277 19.000 -0.008 0.000 0.805 458 A HN 0.406 nan 8.150 nan 0.000 0.449 459 T N -0.123 114.464 114.554 0.055 0.000 2.857 459 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 459 T C 2.010 176.800 174.700 0.151 0.000 1.048 459 T CA 1.538 63.723 62.100 0.141 0.000 1.139 459 T CB -0.201 68.753 68.868 0.142 0.000 0.874 459 T HN 0.641 nan 8.240 nan 0.000 0.455 460 Q N 0.358 120.201 119.800 0.072 0.000 2.084 460 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 460 Q C 2.540 178.533 176.000 -0.012 0.000 0.978 460 Q CA 1.159 56.992 55.803 0.049 0.000 0.844 460 Q CB -0.373 28.381 28.738 0.026 0.000 0.898 460 Q HN 0.347 nan 8.270 nan 0.000 0.426 461 V N 0.729 120.607 119.914 -0.060 0.000 2.307 461 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 461 V C 2.263 178.143 176.094 -0.357 0.000 1.045 461 V CA 2.083 64.284 62.300 -0.164 0.000 1.024 461 V CB -0.593 31.173 31.823 -0.095 0.000 0.651 461 V HN 0.389 nan 8.190 nan 0.000 0.449 462 Q N -0.963 118.672 119.800 -0.276 0.000 2.170 462 Q HA -0.198 4.142 4.340 -0.000 0.000 0.203 462 Q C 1.635 177.264 176.000 -0.617 0.000 0.976 462 Q CA 1.937 57.467 55.803 -0.455 0.000 0.858 462 Q CB -0.023 28.439 28.738 -0.460 0.000 0.907 462 Q HN 0.778 nan 8.270 nan 0.000 0.433 463 Y N -1.174 119.051 120.300 -0.124 0.000 2.507 463 Y HA 0.179 4.729 4.550 -0.000 0.000 0.254 463 Y C -0.604 175.343 175.900 0.079 0.000 1.171 463 Y CA -0.033 58.065 58.100 -0.004 0.000 1.238 463 Y CB 0.281 38.726 38.460 -0.025 0.000 1.148 463 Y HN 0.193 nan 8.280 nan 0.000 0.525 464 H N -0.543 118.560 119.070 0.054 0.000 2.677 464 H HA -0.161 4.395 4.556 0.000 0.000 0.321 464 H C -0.912 174.443 175.328 0.044 0.000 1.171 464 H CA 0.303 56.372 56.048 0.036 0.000 1.139 464 H CB -1.982 27.792 29.762 0.020 0.000 1.515 464 H HN 0.258 nan 8.280 nan 0.000 0.423 465 L N 1.381 122.666 121.223 0.102 0.000 2.272 465 L HA 0.307 4.647 4.340 -0.000 0.000 0.284 465 L C -1.839 175.050 176.870 0.031 0.000 1.045 465 L CA -1.935 52.944 54.840 0.065 0.000 0.842 465 L CB 1.042 43.134 42.059 0.056 0.000 1.224 465 L HN -0.019 nan 8.230 nan 0.000 0.430 466 P HA 0.046 nan 4.420 nan 0.000 0.231 466 P C -0.147 177.115 177.300 -0.063 0.000 1.756 466 P CA 0.048 63.139 63.100 -0.015 0.000 0.990 466 P CB -0.030 31.654 31.700 -0.026 0.000 1.973 467 V N 2.695 122.579 119.914 -0.049 0.000 2.686 467 V HA 0.127 4.247 4.120 -0.000 0.000 0.295 467 V C 0.942 176.978 176.094 -0.097 0.000 1.055 467 V CA -0.246 62.008 62.300 -0.076 0.000 1.050 467 V CB 0.907 32.717 31.823 -0.022 0.000 0.984 467 V HN 0.247 nan 8.190 nan 0.000 0.482 468 I N 5.295 125.755 120.570 -0.183 0.000 2.287 468 I HA 0.257 4.426 4.170 -0.000 0.000 0.290 468 I C 0.244 176.383 176.117 0.036 0.000 1.069 468 I CA -0.059 61.161 61.300 -0.132 0.000 1.237 468 I CB 0.077 37.882 38.000 -0.327 0.000 1.418 468 I HN 0.600 nan 8.210 nan 0.000 0.481 469 N N 6.431 125.158 118.700 0.044 0.000 2.434 469 N HA 0.329 5.069 4.740 -0.000 0.000 0.272 469 N C -0.779 174.777 175.510 0.077 0.000 1.040 469 N CA -0.256 52.839 53.050 0.075 0.000 0.956 469 N CB 2.620 41.129 38.487 0.036 0.000 1.108 469 N HN 0.196 nan 8.380 nan 0.000 0.481 470 V N 2.785 122.781 119.914 0.137 0.000 2.376 470 V HA 0.280 4.400 4.120 -0.000 0.000 0.287 470 V C 0.114 176.249 176.094 0.068 0.000 1.015 470 V CA -0.809 61.539 62.300 0.080 0.000 0.834 470 V CB 1.770 33.712 31.823 0.198 0.000 1.001 470 V HN 0.285 nan 8.190 nan 0.000 0.428 471 V N 5.171 125.034 119.914 -0.084 0.000 2.427 471 V HA 0.479 4.599 4.120 -0.000 0.000 0.286 471 V C -0.535 175.503 176.094 -0.094 0.000 1.034 471 V CA -0.424 61.816 62.300 -0.100 0.000 0.893 471 V CB 1.609 33.179 31.823 -0.421 0.000 0.982 471 V HN 0.678 nan 8.190 nan 0.000 0.452 472 F N 2.274 122.181 119.950 -0.071 0.000 2.334 472 F HA 0.330 4.857 4.527 -0.000 0.000 0.365 472 F C 1.009 176.796 175.800 -0.022 0.000 1.124 472 F CA -0.296 57.684 58.000 -0.033 0.000 1.166 472 F CB 0.975 39.957 39.000 -0.029 0.000 1.355 472 F HN 0.346 nan 8.300 nan 0.000 0.532 473 T N 3.301 117.899 114.554 0.075 0.000 2.875 473 T HA 0.086 4.436 4.350 -0.000 0.000 0.307 473 T C 0.988 175.715 174.700 0.045 0.000 1.013 473 T CA -0.436 61.717 62.100 0.087 0.000 0.970 473 T CB -0.135 68.796 68.868 0.104 0.000 0.986 473 T HN 0.506 nan 8.240 nan 0.000 0.536 474 N N 0.316 119.030 118.700 0.023 0.000 2.205 474 N HA 0.037 4.777 4.740 -0.000 0.000 0.201 474 N C 0.510 175.919 175.510 -0.169 0.000 1.128 474 N CA -0.452 52.564 53.050 -0.057 0.000 0.867 474 N CB -0.546 37.907 38.487 -0.056 0.000 0.996 474 N HN 0.541 nan 8.380 nan 0.000 0.503 475 C N 0.469 119.657 119.300 -0.187 0.000 4.365 475 C HA -0.155 4.305 4.460 -0.000 0.000 0.299 475 C C -0.315 173.977 174.990 -1.163 0.000 1.409 475 C CA 0.412 59.145 59.018 -0.476 0.000 2.007 475 C CB -2.958 24.632 27.740 -0.251 0.000 1.264 475 C HN 0.617 nan 8.230 nan 0.000 0.777 476 Q N -2.468 116.684 119.800 -1.080 0.000 2.462 476 Q HA 0.467 4.807 4.340 -0.000 0.000 0.285 476 Q C -1.083 174.625 176.000 -0.487 0.000 1.035 476 Q CA -0.752 54.496 55.803 -0.925 0.000 0.799 476 Q CB 1.370 29.862 28.738 -0.410 0.000 1.452 476 Q HN 0.329 nan 8.270 nan 0.000 0.404 477 Y N 0.907 121.206 120.300 -0.002 0.000 2.632 477 Y HA 0.186 4.736 4.550 -0.000 0.000 0.336 477 Y C 1.312 177.254 175.900 0.071 0.000 1.237 477 Y CA -0.167 58.034 58.100 0.168 0.000 1.595 477 Y CB 0.030 38.627 38.460 0.228 0.000 1.508 477 Y HN 0.943 nan 8.280 nan 0.000 0.480 478 G N 2.232 111.130 108.800 0.164 0.000 2.446 478 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 478 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 478 G C 1.641 176.648 174.900 0.177 0.000 1.168 478 G CA 0.218 45.375 45.100 0.094 0.000 0.771 478 G HN 0.773 nan 8.290 nan 0.000 0.551 479 W N 0.779 122.105 121.300 0.043 0.000 2.305 479 W HA -0.185 4.475 4.660 0.000 0.000 0.308 479 W C 2.023 178.568 176.519 0.045 0.000 1.226 479 W CA 1.134 58.500 57.345 0.034 0.000 1.253 479 W CB 0.016 29.494 29.460 0.031 0.000 1.146 479 W HN 0.139 nan 8.180 nan 0.000 0.507 480 I N 0.519 121.225 120.570 0.227 0.000 2.480 480 I HA -0.190 3.980 4.170 -0.000 0.000 0.251 480 I C 2.235 178.401 176.117 0.081 0.000 1.124 480 I CA 1.334 62.710 61.300 0.127 0.000 1.444 480 I CB -1.604 36.502 38.000 0.177 0.000 1.098 480 I HN -0.000 nan 8.210 nan 0.000 0.428 481 K N 1.350 121.779 120.400 0.049 0.000 2.032 481 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 481 K C 1.589 178.191 176.600 0.003 0.000 1.048 481 K CA 1.861 58.100 56.287 -0.081 0.000 0.927 481 K CB 0.043 32.349 32.500 -0.324 0.000 0.712 481 K HN 0.166 nan 8.250 nan 0.000 0.441 482 D N 0.824 121.206 120.400 -0.030 0.000 2.144 482 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 482 D C 1.744 178.028 176.300 -0.026 0.000 0.984 482 D CA 1.209 55.196 54.000 -0.021 0.000 0.834 482 D CB -0.107 40.636 40.800 -0.096 0.000 0.955 482 D HN 0.423 nan 8.370 nan 0.000 0.465 483 E N 0.593 120.742 120.200 -0.084 0.000 2.077 483 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 483 E C 2.187 178.806 176.600 0.032 0.000 0.989 483 E CA 0.776 57.134 56.400 -0.069 0.000 0.800 483 E CB -0.074 29.572 29.700 -0.091 0.000 0.746 483 E HN 0.370 nan 8.360 nan 0.000 0.452 484 Q N 0.472 120.341 119.800 0.116 0.000 2.124 484 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 484 Q C 2.170 178.261 176.000 0.152 0.000 0.977 484 Q CA 1.147 57.049 55.803 0.166 0.000 0.850 484 Q CB -0.075 28.847 28.738 0.308 0.000 0.901 484 Q HN 0.320 nan 8.270 nan 0.000 0.429 485 E N 0.715 121.086 120.200 0.284 0.000 2.085 485 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 485 E C 1.051 177.687 176.600 0.060 0.000 0.994 485 E CA 1.428 57.941 56.400 0.188 0.000 0.801 485 E CB 0.183 30.056 29.700 0.288 0.000 0.743 485 E HN 0.297 nan 8.360 nan 0.000 0.453 486 D N -0.881 119.546 120.400 0.045 0.000 2.162 486 D HA -0.091 4.549 4.640 -0.000 0.000 0.203 486 D C 1.957 178.255 176.300 -0.003 0.000 0.967 486 D CA 1.899 55.905 54.000 0.010 0.000 0.840 486 D CB -0.015 40.776 40.800 -0.016 0.000 0.972 486 D HN 0.382 nan 8.370 nan 0.000 0.482 487 T N -3.009 111.544 114.554 -0.002 0.000 2.999 487 T HA 0.112 4.462 4.350 -0.000 0.000 0.247 487 T C 0.745 175.437 174.700 -0.014 0.000 1.012 487 T CA -0.414 61.681 62.100 -0.008 0.000 1.048 487 T CB 0.135 69.001 68.868 -0.004 0.000 1.020 487 T HN -0.211 nan 8.240 nan 0.000 0.478 488 N N 2.276 120.966 118.700 -0.017 0.000 2.529 488 N HA 0.274 5.014 4.740 -0.000 0.000 0.278 488 N C 0.874 176.347 175.510 -0.062 0.000 1.146 488 N CA -0.320 52.711 53.050 -0.031 0.000 0.980 488 N CB 1.550 40.025 38.487 -0.020 0.000 1.124 488 N HN 0.443 nan 8.380 nan 0.000 0.458 489 Q N 1.620 121.390 119.800 -0.051 0.000 2.163 489 Q HA 0.035 4.374 4.340 -0.000 0.000 0.198 489 Q C -0.309 175.643 176.000 -0.080 0.000 0.954 489 Q CA 0.788 56.557 55.803 -0.058 0.000 0.851 489 Q CB 0.298 29.013 28.738 -0.038 0.000 0.928 489 Q HN 0.516 nan 8.270 nan 0.000 0.459 490 N N 1.095 119.751 118.700 -0.074 0.000 2.491 490 N HA 0.114 4.854 4.740 -0.000 0.000 0.279 490 N C -0.833 174.600 175.510 -0.128 0.000 1.236 490 N CA -0.390 52.614 53.050 -0.077 0.000 0.982 490 N CB 0.401 38.865 38.487 -0.039 0.000 1.194 490 N HN 0.094 nan 8.380 nan 0.000 0.582 491 D N 0.084 120.418 120.400 -0.109 0.000 2.378 491 D HA 0.072 4.712 4.640 -0.000 0.000 0.238 491 D C 0.128 176.368 176.300 -0.098 0.000 1.180 491 D CA 0.289 54.199 54.000 -0.151 0.000 0.895 491 D CB 0.132 40.904 40.800 -0.047 0.000 1.192 491 D HN 0.177 nan 8.370 nan 0.000 0.438 492 F N 0.668 120.627 119.950 0.015 0.000 2.629 492 F HA 0.088 4.615 4.527 -0.000 0.000 0.369 492 F C 0.948 176.768 175.800 0.035 0.000 1.125 492 F CA 0.347 58.361 58.000 0.024 0.000 1.330 492 F CB -0.123 38.887 39.000 0.017 0.000 1.071 492 F HN 0.098 nan 8.300 nan 0.000 0.595 493 I N 1.383 122.110 120.570 0.262 0.000 2.644 493 I HA 0.495 4.665 4.170 -0.000 0.000 0.291 493 I C 0.378 176.605 176.117 0.184 0.000 1.180 493 I CA -0.123 61.282 61.300 0.176 0.000 1.040 493 I CB 1.737 39.808 38.000 0.120 0.000 1.255 493 I HN 0.676 nan 8.210 nan 0.000 0.422 494 G N 4.327 113.238 108.800 0.184 0.000 2.162 494 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 494 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 494 G C 0.461 175.572 174.900 0.353 0.000 0.976 494 G CA 0.747 45.993 45.100 0.243 0.000 0.655 494 G HN 1.356 nan 8.290 nan 0.000 0.533 495 V N -3.580 116.476 119.914 0.237 0.000 3.604 495 V HA 0.523 4.643 4.120 -0.000 0.000 0.277 495 V C 0.466 176.486 176.094 -0.124 0.000 1.399 495 V CA 0.764 63.174 62.300 0.185 0.000 1.034 495 V CB 0.397 32.285 31.823 0.107 0.000 0.824 495 V HN 0.342 nan 8.190 nan 0.000 0.439 496 E N 1.480 121.602 120.200 -0.129 0.000 2.187 496 E HA 0.663 5.013 4.350 -0.000 0.000 0.268 496 E C -1.284 175.215 176.600 -0.168 0.000 0.896 496 E CA -0.581 55.630 56.400 -0.316 0.000 0.766 496 E CB 2.215 31.791 29.700 -0.207 0.000 1.142 496 E HN 0.528 nan 8.360 nan 0.000 0.408 497 F N -0.555 119.325 119.950 -0.116 0.000 2.726 497 F HA 0.491 5.018 4.527 -0.000 0.000 0.324 497 F C -0.375 175.383 175.800 -0.070 0.000 1.140 497 F CA -1.701 56.242 58.000 -0.094 0.000 0.964 497 F CB 0.360 39.273 39.000 -0.144 0.000 1.399 497 F HN 0.103 nan 8.300 nan 0.000 0.491 498 N N 0.745 119.626 118.700 0.302 0.000 2.492 498 N HA 0.119 4.859 4.740 -0.000 0.000 0.260 498 N C -1.113 174.533 175.510 0.227 0.000 1.215 498 N CA 0.123 53.279 53.050 0.176 0.000 0.923 498 N CB 0.242 38.789 38.487 0.100 0.000 1.092 498 N HN 0.789 nan 8.380 nan 0.000 0.448 499 D N 1.212 121.687 120.400 0.124 0.000 2.488 499 D HA 0.076 4.716 4.640 -0.000 0.000 0.238 499 D C -0.614 175.731 176.300 0.075 0.000 1.138 499 D CA 0.435 54.502 54.000 0.111 0.000 0.873 499 D CB 0.386 41.221 40.800 0.058 0.000 1.183 499 D HN 0.300 nan 8.370 nan 0.000 0.458 500 I N 2.807 123.427 120.570 0.083 0.000 2.406 500 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 500 I C -0.419 175.687 176.117 -0.017 0.000 0.999 500 I CA -0.894 60.374 61.300 -0.053 0.000 1.124 500 I CB 1.803 39.677 38.000 -0.210 0.000 1.289 500 I HN 0.382 nan 8.210 nan 0.000 0.441 501 D N 5.989 126.348 120.400 -0.068 0.000 2.393 501 D HA 0.131 4.771 4.640 -0.000 0.000 0.232 501 D C 0.596 176.865 176.300 -0.051 0.000 1.192 501 D CA 0.005 54.003 54.000 -0.004 0.000 0.882 501 D CB 0.520 41.311 40.800 -0.016 0.000 1.038 501 D HN 0.311 nan 8.370 nan 0.000 0.499 502 F N 1.515 121.463 119.950 -0.003 0.000 2.502 502 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 502 F C 2.680 178.465 175.800 -0.026 0.000 1.111 502 F CA 0.799 58.793 58.000 -0.010 0.000 1.445 502 F CB 0.083 39.087 39.000 0.006 0.000 1.081 502 F HN 0.393 nan 8.300 nan 0.000 0.558 503 S N -0.065 115.707 115.700 0.119 0.000 2.402 503 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 503 S C 1.912 176.498 174.600 -0.024 0.000 1.021 503 S CA 0.954 59.172 58.200 0.030 0.000 0.974 503 S CB -0.363 62.842 63.200 0.008 0.000 0.800 503 S HN 0.383 nan 8.310 nan 0.000 0.484 504 K N 0.565 120.942 120.400 -0.039 0.000 2.062 504 K HA 0.109 4.429 4.320 -0.000 0.000 0.205 504 K C 2.055 178.596 176.600 -0.098 0.000 1.051 504 K CA 1.093 57.338 56.287 -0.070 0.000 0.941 504 K CB -0.319 32.138 32.500 -0.072 0.000 0.719 504 K HN 0.301 nan 8.250 nan 0.000 0.440 505 I N 1.728 122.218 120.570 -0.132 0.000 2.118 505 I HA -0.295 3.875 4.170 -0.000 0.000 0.241 505 I C 2.539 178.604 176.117 -0.086 0.000 1.070 505 I CA 1.583 62.791 61.300 -0.152 0.000 1.327 505 I CB -1.508 36.326 38.000 -0.276 0.000 1.034 505 I HN 0.122 nan 8.210 nan 0.000 0.405 506 A N 0.472 123.276 122.820 -0.026 0.000 1.883 506 A HA -0.288 4.032 4.320 -0.000 0.000 0.217 506 A C 2.159 179.693 177.584 -0.083 0.000 1.186 506 A CA 2.235 54.256 52.037 -0.027 0.000 0.624 506 A CB -0.853 18.149 19.000 0.003 0.000 0.822 506 A HN 0.438 nan 8.150 nan 0.000 0.444 507 D N -0.415 119.932 120.400 -0.088 0.000 2.116 507 D HA -0.100 4.540 4.640 -0.000 0.000 0.193 507 D C 2.022 178.215 176.300 -0.178 0.000 0.998 507 D CA 1.753 55.697 54.000 -0.093 0.000 0.836 507 D CB -0.654 40.103 40.800 -0.073 0.000 0.951 507 D HN 0.320 nan 8.370 nan 0.000 0.449 508 G N 0.055 108.737 108.800 -0.197 0.000 2.450 508 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 508 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 508 G C 1.578 176.187 174.900 -0.485 0.000 1.130 508 G CA 1.401 46.332 45.100 -0.282 0.000 0.760 508 G HN 0.425 nan 8.290 nan 0.000 0.557 509 V N -3.544 116.153 119.914 -0.361 0.000 3.649 509 V HA 0.263 4.383 4.120 -0.000 0.000 0.275 509 V C 0.851 176.765 176.094 -0.300 0.000 1.281 509 V CA 0.291 62.393 62.300 -0.330 0.000 1.143 509 V CB -1.029 30.716 31.823 -0.128 0.000 0.892 509 V HN 0.527 nan 8.190 nan 0.000 0.441 510 H N -1.141 117.904 119.070 -0.043 0.000 2.933 510 H HA -0.132 4.424 4.556 0.000 0.000 0.301 510 H C -0.118 175.178 175.328 -0.053 0.000 1.280 510 H CA 1.191 57.209 56.048 -0.050 0.000 1.155 510 H CB -1.673 28.059 29.762 -0.051 0.000 1.379 510 H HN 0.702 nan 8.280 nan 0.000 0.419 511 M N 0.893 120.492 119.600 -0.002 0.000 2.311 511 M HA 0.279 4.759 4.480 -0.000 0.000 0.325 511 M C 0.003 176.275 176.300 -0.046 0.000 1.061 511 M CA -0.547 54.744 55.300 -0.016 0.000 0.957 511 M CB 1.485 34.074 32.600 -0.019 0.000 1.646 511 M HN 0.153 nan 8.290 nan 0.000 0.434 512 Q N 2.387 122.153 119.800 -0.058 0.000 2.361 512 Q HA 0.524 4.864 4.340 -0.000 0.000 0.276 512 Q C -0.833 175.050 176.000 -0.194 0.000 1.022 512 Q CA 0.122 55.841 55.803 -0.141 0.000 0.898 512 Q CB 0.983 29.651 28.738 -0.117 0.000 1.246 512 Q HN 0.740 nan 8.270 nan 0.000 0.410 513 A N 2.177 124.766 122.820 -0.385 0.000 2.610 513 A HA 0.790 5.110 4.320 -0.000 0.000 0.291 513 A C -1.805 175.384 177.584 -0.660 0.000 1.086 513 A CA -0.676 51.154 52.037 -0.344 0.000 0.677 513 A CB 1.180 20.109 19.000 -0.118 0.000 1.278 513 A HN 0.551 nan 8.150 nan 0.000 0.414 514 F N -0.358 119.563 119.950 -0.048 0.000 2.599 514 F HA 0.801 5.328 4.527 -0.000 0.000 0.311 514 F C 0.133 175.908 175.800 -0.042 0.000 1.076 514 F CA -0.452 57.518 58.000 -0.050 0.000 0.937 514 F CB 2.465 41.415 39.000 -0.083 0.000 1.282 514 F HN 0.665 nan 8.300 nan 0.000 0.460 515 R N 1.707 122.301 120.500 0.157 0.000 2.534 515 R HA 0.851 5.191 4.340 -0.000 0.000 0.301 515 R C -1.909 174.439 176.300 0.080 0.000 0.961 515 R CA -0.715 55.440 56.100 0.092 0.000 0.871 515 R CB 1.751 32.088 30.300 0.062 0.000 1.170 515 R HN 0.620 nan 8.270 nan 0.000 0.446 516 V N 2.306 122.248 119.914 0.047 0.000 2.823 516 V HA 0.596 4.716 4.120 -0.000 0.000 0.312 516 V C -0.571 175.530 176.094 0.012 0.000 1.072 516 V CA -0.778 61.541 62.300 0.033 0.000 0.937 516 V CB 2.134 33.977 31.823 0.034 0.000 1.013 516 V HN 1.012 nan 8.190 nan 0.000 0.430 517 N N 0.837 119.542 118.700 0.008 0.000 2.143 517 N HA 0.259 4.999 4.740 -0.000 0.000 0.229 517 N C -0.344 175.160 175.510 -0.010 0.000 1.294 517 N CA -0.485 52.562 53.050 -0.005 0.000 0.883 517 N CB 0.600 39.086 38.487 -0.001 0.000 1.148 517 N HN 0.783 nan 8.380 nan 0.000 0.511 518 K N 0.165 120.561 120.400 -0.007 0.000 2.422 518 K HA 0.479 4.799 4.320 -0.000 0.000 0.251 518 K C 0.707 177.299 176.600 -0.015 0.000 0.933 518 K CA -0.684 55.596 56.287 -0.011 0.000 0.798 518 K CB 2.587 35.084 32.500 -0.006 0.000 1.238 518 K HN -0.207 nan 8.250 nan 0.000 0.428 519 I N 2.056 122.612 120.570 -0.024 0.000 2.194 519 I HA -0.339 3.831 4.170 -0.000 0.000 0.246 519 I C 2.205 178.304 176.117 -0.029 0.000 1.093 519 I CA 1.489 62.769 61.300 -0.034 0.000 1.355 519 I CB -0.123 37.854 38.000 -0.039 0.000 1.046 519 I HN 0.728 nan 8.210 nan 0.000 0.413 520 E N 1.193 121.381 120.200 -0.020 0.000 2.338 520 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 520 E C 1.698 178.293 176.600 -0.009 0.000 1.007 520 E CA 0.987 57.377 56.400 -0.017 0.000 0.849 520 E CB -0.422 29.270 29.700 -0.013 0.000 0.774 520 E HN 0.642 nan 8.360 nan 0.000 0.506 521 Q N 0.409 120.208 119.800 -0.002 0.000 2.311 521 Q HA 0.094 4.434 4.340 -0.000 0.000 0.203 521 Q C 2.355 178.369 176.000 0.022 0.000 0.954 521 Q CA 0.418 56.226 55.803 0.008 0.000 0.885 521 Q CB -0.003 28.744 28.738 0.015 0.000 0.963 521 Q HN 0.303 nan 8.270 nan 0.000 0.471 522 L N 0.586 121.827 121.223 0.030 0.000 1.994 522 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 522 L C -0.670 176.268 176.870 0.114 0.000 1.071 522 L CA 1.334 56.231 54.840 0.096 0.000 0.745 522 L CB -1.584 40.449 42.059 -0.043 0.000 0.892 522 L HN 0.145 nan 8.230 nan 0.000 0.431 523 P HA -0.201 nan 4.420 nan 0.000 0.215 523 P C 1.009 178.328 177.300 0.031 0.000 1.157 523 P CA 1.692 64.801 63.100 0.015 0.000 0.874 523 P CB 0.038 31.730 31.700 -0.013 0.000 0.790 524 D N -1.328 119.071 120.400 -0.002 0.000 2.149 524 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 524 D C 1.807 178.030 176.300 -0.129 0.000 0.972 524 D CA 0.609 54.586 54.000 -0.039 0.000 0.835 524 D CB -0.446 40.334 40.800 -0.033 0.000 0.966 524 D HN -0.185 nan 8.370 nan 0.000 0.476 525 V N -0.032 119.774 119.914 -0.181 0.000 2.295 525 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 525 V C 2.008 177.810 176.094 -0.487 0.000 1.049 525 V CA 1.446 63.436 62.300 -0.516 0.000 1.024 525 V CB -0.621 30.949 31.823 -0.422 0.000 0.648 525 V HN 0.231 nan 8.190 nan 0.000 0.447 526 F N -0.006 119.796 119.950 -0.248 0.000 2.234 526 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 526 F C 2.513 178.253 175.800 -0.099 0.000 1.087 526 F CA 1.227 59.145 58.000 -0.136 0.000 1.340 526 F CB -0.337 38.628 39.000 -0.058 0.000 1.031 526 F HN 0.132 nan 8.300 nan 0.000 0.500 527 E N 0.282 120.516 120.200 0.057 0.000 2.077 527 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 527 E C 2.168 178.751 176.600 -0.028 0.000 0.989 527 E CA 1.147 57.558 56.400 0.019 0.000 0.800 527 E CB -0.576 29.132 29.700 0.013 0.000 0.746 527 E HN 0.540 nan 8.360 nan 0.000 0.452 528 Q N 0.198 119.932 119.800 -0.110 0.000 2.061 528 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 528 Q C 2.195 178.176 176.000 -0.033 0.000 0.984 528 Q CA 1.571 57.326 55.803 -0.080 0.000 0.846 528 Q CB -0.226 28.420 28.738 -0.153 0.000 0.902 528 Q HN 0.237 nan 8.270 nan 0.000 0.421 529 A N 1.618 124.350 122.820 -0.147 0.000 1.877 529 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 529 A C 2.027 179.598 177.584 -0.021 0.000 1.186 529 A CA 1.735 53.738 52.037 -0.055 0.000 0.620 529 A CB -0.557 18.317 19.000 -0.209 0.000 0.822 529 A HN 0.252 nan 8.150 nan 0.000 0.443 530 K N -0.409 119.987 120.400 -0.007 0.000 2.089 530 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 530 K C 2.087 178.679 176.600 -0.013 0.000 1.048 530 K CA 1.568 57.858 56.287 0.006 0.000 0.926 530 K CB -0.320 32.211 32.500 0.052 0.000 0.714 530 K HN 0.414 nan 8.250 nan 0.000 0.448 531 A N 0.893 123.717 122.820 0.008 0.000 1.898 531 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 531 A C 2.062 179.665 177.584 0.031 0.000 1.183 531 A CA 1.104 53.151 52.037 0.018 0.000 0.622 531 A CB -0.424 18.600 19.000 0.040 0.000 0.824 531 A HN 0.316 nan 8.150 nan 0.000 0.444 532 I N 0.182 120.786 120.570 0.057 0.000 2.208 532 I HA -0.300 3.869 4.170 -0.000 0.000 0.245 532 I C 2.618 178.757 176.117 0.036 0.000 1.097 532 I CA 1.275 62.622 61.300 0.078 0.000 1.363 532 I CB -0.171 37.895 38.000 0.110 0.000 1.051 532 I HN 0.325 nan 8.210 nan 0.000 0.413 533 A N -0.204 122.606 122.820 -0.017 0.000 2.255 533 A HA -0.092 4.228 4.320 -0.000 0.000 0.206 533 A C 1.929 179.438 177.584 -0.125 0.000 1.193 533 A CA 0.547 52.543 52.037 -0.068 0.000 0.794 533 A CB -0.298 18.633 19.000 -0.115 0.000 0.794 533 A HN 0.371 nan 8.150 nan 0.000 0.481 534 Q N -0.709 118.986 119.800 -0.175 0.000 2.364 534 Q HA -0.115 4.225 4.340 -0.000 0.000 0.207 534 Q C 0.595 176.209 176.000 -0.643 0.000 0.970 534 Q CA 1.707 57.266 55.803 -0.407 0.000 0.888 534 Q CB -0.223 28.211 28.738 -0.506 0.000 0.951 534 Q HN 0.969 nan 8.270 nan 0.000 0.469 535 H N -2.069 117.004 119.070 0.006 0.000 3.678 535 H HA 0.256 4.812 4.556 -0.000 0.000 0.246 535 H C -0.130 175.222 175.328 0.040 0.000 1.016 535 H CA -0.148 55.911 56.048 0.017 0.000 1.104 535 H CB 1.169 30.940 29.762 0.015 0.000 1.449 535 H HN -0.105 nan 8.280 nan 0.000 0.606 536 E N 1.006 121.282 120.200 0.127 0.000 2.383 536 E HA 0.268 4.618 4.350 -0.000 0.000 0.275 536 E C -2.772 173.854 176.600 0.043 0.000 0.918 536 E CA -2.294 54.167 56.400 0.100 0.000 0.764 536 E CB 2.422 32.185 29.700 0.105 0.000 1.252 536 E HN -0.045 nan 8.360 nan 0.000 0.449 537 P HA 0.155 nan 4.420 nan 0.000 0.272 537 P C -0.448 176.857 177.300 0.008 0.000 1.230 537 P CA -0.229 62.873 63.100 0.004 0.000 0.788 537 P CB 1.054 32.756 31.700 0.002 0.000 0.949 538 V N 2.763 122.680 119.914 0.005 0.000 3.049 538 V HA 0.624 4.744 4.120 -0.000 0.000 0.309 538 V C -1.436 174.673 176.094 0.024 0.000 1.148 538 V CA -1.105 61.210 62.300 0.026 0.000 0.990 538 V CB 2.260 34.124 31.823 0.070 0.000 1.039 538 V HN 0.486 nan 8.190 nan 0.000 0.430 539 L N 5.336 126.582 121.223 0.038 0.000 2.410 539 L HA 0.720 5.060 4.340 -0.000 0.000 0.270 539 L C -1.418 175.490 176.870 0.063 0.000 0.983 539 L CA -0.399 54.463 54.840 0.037 0.000 0.822 539 L CB 1.854 43.941 42.059 0.046 0.000 1.285 539 L HN 0.688 nan 8.230 nan 0.000 0.409 540 I N 3.822 124.390 120.570 -0.004 0.000 2.362 540 I HA 0.295 4.465 4.170 -0.000 0.000 0.289 540 I C -0.946 175.143 176.117 -0.047 0.000 0.994 540 I CA -0.419 60.857 61.300 -0.041 0.000 1.158 540 I CB 1.637 39.451 38.000 -0.310 0.000 1.315 540 I HN 0.510 nan 8.210 nan 0.000 0.451 541 D N 6.445 126.851 120.400 0.010 0.000 2.396 541 D HA 0.402 5.042 4.640 -0.000 0.000 0.225 541 D C -0.295 175.987 176.300 -0.030 0.000 1.121 541 D CA -0.195 53.810 54.000 0.008 0.000 0.853 541 D CB 1.300 42.164 40.800 0.106 0.000 1.043 541 D HN 0.563 nan 8.370 nan 0.000 0.500 542 A N 4.223 126.971 122.820 -0.120 0.000 2.316 542 A HA 0.398 4.718 4.320 -0.000 0.000 0.311 542 A C -0.043 177.484 177.584 -0.094 0.000 1.339 542 A CA -0.671 51.281 52.037 -0.142 0.000 0.960 542 A CB 0.404 19.212 19.000 -0.320 0.000 1.152 542 A HN 0.409 nan 8.150 nan 0.000 0.547 543 V N 5.531 125.422 119.914 -0.038 0.000 2.397 543 V HA 0.209 4.329 4.120 -0.000 0.000 0.262 543 V C 0.429 176.502 176.094 -0.035 0.000 1.047 543 V CA 0.369 62.659 62.300 -0.017 0.000 1.003 543 V CB -0.706 31.116 31.823 -0.000 0.000 1.037 543 V HN 0.730 nan 8.190 nan 0.000 0.480 544 I N 2.183 122.734 120.570 -0.031 0.000 2.863 544 I HA 0.781 4.951 4.170 -0.000 0.000 0.311 544 I C 0.691 176.780 176.117 -0.047 0.000 1.026 544 I CA -0.654 60.620 61.300 -0.044 0.000 1.077 544 I CB 2.067 40.052 38.000 -0.026 0.000 1.262 544 I HN 0.550 nan 8.210 nan 0.000 0.461 545 T N 0.058 114.575 114.554 -0.062 0.000 2.748 545 T HA 0.288 4.638 4.350 -0.000 0.000 0.304 545 T C 0.929 175.591 174.700 -0.064 0.000 1.041 545 T CA -0.115 61.950 62.100 -0.058 0.000 1.033 545 T CB 0.903 69.740 68.868 -0.053 0.000 0.995 545 T HN 0.952 nan 8.240 nan 0.000 0.536 546 G N 0.373 109.134 108.800 -0.065 0.000 3.440 546 G HA2 0.186 4.146 3.960 -0.000 0.000 0.263 546 G HA3 0.186 4.146 3.960 -0.000 0.000 0.263 546 G C -0.079 174.794 174.900 -0.046 0.000 1.236 546 G CA -0.537 44.519 45.100 -0.072 0.000 0.927 546 G HN 0.769 nan 8.290 nan 0.000 0.530 547 D N 0.759 121.143 120.400 -0.028 0.000 2.458 547 D HA 0.032 4.672 4.640 -0.000 0.000 0.243 547 D C 0.604 176.944 176.300 0.067 0.000 1.146 547 D CA 0.242 54.253 54.000 0.019 0.000 0.877 547 D CB 1.386 42.216 40.800 0.051 0.000 1.176 547 D HN 0.177 nan 8.370 nan 0.000 0.461 548 R N 3.451 124.020 120.500 0.115 0.000 2.401 548 R HA 0.152 4.492 4.340 -0.000 0.000 0.299 548 R C -2.190 174.309 176.300 0.332 0.000 1.064 548 R CA -1.144 55.075 56.100 0.197 0.000 1.000 548 R CB 0.515 30.960 30.300 0.242 0.000 0.973 548 R HN 0.204 nan 8.270 nan 0.000 0.438 549 P HA -0.044 nan 4.420 nan 0.000 0.271 549 P C -0.310 177.053 177.300 0.105 0.000 1.218 549 P CA -0.262 63.024 63.100 0.310 0.000 0.780 549 P CB 0.602 32.477 31.700 0.292 0.000 0.901 550 L N 4.582 125.822 121.223 0.027 0.000 2.667 550 L HA 0.031 4.371 4.340 -0.000 0.000 0.278 550 L C -1.869 174.839 176.870 -0.270 0.000 1.217 550 L CA -0.960 53.615 54.840 -0.442 0.000 0.935 550 L CB -0.289 41.713 42.059 -0.095 0.000 1.193 550 L HN 0.278 nan 8.230 nan 0.000 0.493 551 P HA 0.103 nan 4.420 nan 0.000 0.280 551 P C 0.013 177.268 177.300 -0.075 0.000 1.386 551 P CA -0.273 62.728 63.100 -0.165 0.000 0.899 551 P CB 1.430 33.045 31.700 -0.142 0.000 1.098 552 A N 4.524 127.298 122.820 -0.075 0.000 2.070 552 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 552 A C 1.775 179.271 177.584 -0.147 0.000 1.159 552 A CA 1.230 53.189 52.037 -0.130 0.000 0.656 552 A CB -0.636 18.250 19.000 -0.189 0.000 0.800 552 A HN 0.548 nan 8.150 nan 0.000 0.453 553 E N 0.206 120.329 120.200 -0.128 0.000 2.489 553 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 553 E C 0.116 176.648 176.600 -0.113 0.000 1.057 553 E CA 0.488 56.810 56.400 -0.129 0.000 0.866 553 E CB -0.075 29.541 29.700 -0.139 0.000 0.916 553 E HN 0.539 nan 8.360 nan 0.000 0.500 554 K N 1.346 121.689 120.400 -0.094 0.000 3.239 554 K HA 0.335 4.655 4.320 -0.000 0.000 0.204 554 K C -0.313 176.202 176.600 -0.143 0.000 1.126 554 K CA -0.301 55.940 56.287 -0.077 0.000 0.948 554 K CB 0.786 33.281 32.500 -0.009 0.000 0.818 554 K HN 0.011 nan 8.250 nan 0.000 0.480 555 L N 1.904 122.966 121.223 -0.269 0.000 2.490 555 L HA 0.107 4.447 4.340 -0.000 0.000 0.274 555 L C 0.507 176.925 176.870 -0.754 0.000 1.201 555 L CA 0.221 54.702 54.840 -0.598 0.000 0.869 555 L CB 0.171 41.997 42.059 -0.388 0.000 1.123 555 L HN 0.049 nan 8.230 nan 0.000 0.484 556 R N 5.894 125.556 120.500 -1.397 0.000 2.547 556 R HA 0.365 4.705 4.340 -0.000 0.000 0.280 556 R C -0.120 175.831 176.300 -0.581 0.000 1.630 556 R CA -0.109 55.550 56.100 -0.735 0.000 1.470 556 R CB 0.738 30.789 30.300 -0.416 0.000 1.178 556 R HN 0.712 nan 8.270 nan 0.000 0.591 557 L N -0.849 120.150 121.223 -0.373 0.000 3.227 557 L HA 0.257 4.597 4.340 -0.000 0.000 0.287 557 L C 0.119 176.909 176.870 -0.133 0.000 1.161 557 L CA -0.009 54.712 54.840 -0.200 0.000 1.048 557 L CB 0.784 42.737 42.059 -0.175 0.000 1.541 557 L HN 0.181 nan 8.230 nan 0.000 0.590 558 D N -0.036 120.278 120.400 -0.143 0.000 2.373 558 D HA 0.183 4.823 4.640 -0.000 0.000 0.227 558 D C 0.880 177.127 176.300 -0.087 0.000 1.091 558 D CA 0.122 54.057 54.000 -0.107 0.000 0.840 558 D CB 1.968 42.705 40.800 -0.105 0.000 1.060 558 D HN -0.179 nan 8.370 nan 0.000 0.502 559 S N 2.348 118.005 115.700 -0.071 0.000 2.420 559 S HA -0.186 4.284 4.470 -0.000 0.000 0.237 559 S C 1.699 176.270 174.600 -0.050 0.000 1.023 559 S CA 1.386 59.553 58.200 -0.055 0.000 0.991 559 S CB 0.118 63.288 63.200 -0.050 0.000 0.792 559 S HN 0.668 nan 8.310 nan 0.000 0.488 560 A N -0.087 122.702 122.820 -0.052 0.000 2.169 560 A HA 0.263 4.583 4.320 -0.000 0.000 0.212 560 A C 1.857 179.414 177.584 -0.046 0.000 1.153 560 A CA 0.549 52.560 52.037 -0.043 0.000 0.756 560 A CB -0.164 18.812 19.000 -0.039 0.000 0.813 560 A HN 0.499 nan 8.150 nan 0.000 0.471 561 M N -1.582 117.984 119.600 -0.057 0.000 2.538 561 M HA 0.179 4.659 4.480 -0.000 0.000 0.259 561 M C -0.237 176.024 176.300 -0.065 0.000 1.217 561 M CA 0.381 55.644 55.300 -0.062 0.000 1.131 561 M CB 0.725 33.280 32.600 -0.075 0.000 1.382 561 M HN 0.155 nan 8.290 nan 0.000 0.520 562 S N 0.485 116.143 115.700 -0.070 0.000 2.568 562 S HA 0.460 4.930 4.470 -0.000 0.000 0.293 562 S C -0.192 174.379 174.600 -0.048 0.000 1.089 562 S CA -0.950 57.210 58.200 -0.066 0.000 0.945 562 S CB 2.033 65.176 63.200 -0.096 0.000 1.077 562 S HN 0.372 nan 8.310 nan 0.000 0.485 563 S N 1.305 116.985 115.700 -0.034 0.000 2.593 563 S HA 0.474 4.944 4.470 -0.000 0.000 0.269 563 S C 1.413 176.002 174.600 -0.018 0.000 1.334 563 S CA -0.211 57.975 58.200 -0.023 0.000 1.015 563 S CB 0.720 63.911 63.200 -0.015 0.000 0.912 563 S HN 0.912 nan 8.310 nan 0.000 0.541 564 A N 2.655 125.467 122.820 -0.014 0.000 1.917 564 A HA 0.042 4.362 4.320 -0.000 0.000 0.219 564 A C 2.422 180.009 177.584 0.004 0.000 1.182 564 A CA 2.056 54.089 52.037 -0.007 0.000 0.633 564 A CB -1.701 17.294 19.000 -0.008 0.000 0.819 564 A HN 1.415 nan 8.150 nan 0.000 0.448 565 A N -0.246 122.577 122.820 0.005 0.000 1.902 565 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 565 A C 1.800 179.400 177.584 0.027 0.000 1.181 565 A CA 1.918 53.963 52.037 0.013 0.000 0.623 565 A CB -0.581 18.424 19.000 0.008 0.000 0.818 565 A HN 0.450 nan 8.150 nan 0.000 0.443 566 D N -0.010 120.404 120.400 0.023 0.000 2.117 566 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 566 D C 1.827 178.173 176.300 0.076 0.000 0.987 566 D CA 1.071 55.097 54.000 0.042 0.000 0.829 566 D CB -0.309 40.499 40.800 0.014 0.000 0.961 566 D HN 0.526 nan 8.370 nan 0.000 0.460 567 I N 0.775 121.369 120.570 0.040 0.000 2.179 567 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 567 I C 2.439 178.630 176.117 0.123 0.000 1.088 567 I CA 1.031 62.367 61.300 0.060 0.000 1.357 567 I CB -0.195 37.807 38.000 0.005 0.000 1.051 567 I HN 0.010 nan 8.210 nan 0.000 0.409 568 E N 1.145 121.390 120.200 0.075 0.000 2.058 568 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 568 E C 2.279 178.925 176.600 0.077 0.000 0.997 568 E CA 1.504 57.943 56.400 0.065 0.000 0.801 568 E CB -0.041 29.680 29.700 0.034 0.000 0.746 568 E HN 0.502 nan 8.360 nan 0.000 0.450 569 A N 0.452 123.322 122.820 0.083 0.000 1.898 569 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 569 A C 1.986 179.624 177.584 0.089 0.000 1.181 569 A CA 1.242 53.317 52.037 0.063 0.000 0.620 569 A CB -0.835 18.201 19.000 0.060 0.000 0.819 569 A HN 0.496 nan 8.150 nan 0.000 0.442 570 F N 0.732 120.706 119.950 0.041 0.000 2.102 570 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 570 F C 2.188 178.070 175.800 0.137 0.000 1.105 570 F CA 2.153 60.239 58.000 0.144 0.000 1.239 570 F CB -0.123 38.968 39.000 0.151 0.000 0.991 570 F HN 0.095 nan 8.300 nan 0.000 0.474 571 K N -0.290 120.270 120.400 0.267 0.000 2.063 571 K HA -0.264 4.056 4.320 -0.000 0.000 0.208 571 K C 2.103 178.706 176.600 0.005 0.000 1.048 571 K CA 1.711 58.078 56.287 0.133 0.000 0.928 571 K CB -0.349 32.235 32.500 0.139 0.000 0.713 571 K HN 0.290 nan 8.250 nan 0.000 0.442 572 Q N 1.320 121.108 119.800 -0.020 0.000 2.020 572 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 572 Q C 2.034 177.939 176.000 -0.158 0.000 0.982 572 Q CA 1.674 57.440 55.803 -0.063 0.000 0.838 572 Q CB -0.127 28.581 28.738 -0.050 0.000 0.899 572 Q HN 0.153 nan 8.270 nan 0.000 0.423 573 R N -1.424 118.889 120.500 -0.311 0.000 2.096 573 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 573 R C 0.839 176.770 176.300 -0.614 0.000 1.127 573 R CA 1.510 57.270 56.100 -0.566 0.000 0.968 573 R CB -0.097 29.648 30.300 -0.925 0.000 0.861 573 R HN 0.355 nan 8.270 nan 0.000 0.440 574 Y N 0.832 121.011 120.300 -0.202 0.000 2.571 574 Y HA 0.241 4.790 4.550 -0.000 0.000 0.275 574 Y C -0.306 175.597 175.900 0.005 0.000 1.179 574 Y CA -0.279 57.724 58.100 -0.163 0.000 1.242 574 Y CB 0.106 38.296 38.460 -0.450 0.000 1.126 574 Y HN 0.142 nan 8.280 nan 0.000 0.524 575 E N -0.670 119.575 120.200 0.075 0.000 2.360 575 E HA -0.261 4.089 4.350 -0.000 0.000 0.238 575 E C 0.606 177.353 176.600 0.245 0.000 1.186 575 E CA 0.457 56.929 56.400 0.119 0.000 0.719 575 E CB -1.377 28.371 29.700 0.081 0.000 1.236 575 E HN 0.504 nan 8.360 nan 0.000 0.386 576 A N 0.289 123.193 122.820 0.139 0.000 2.574 576 A HA 0.195 4.515 4.320 -0.000 0.000 0.283 576 A C 1.480 179.112 177.584 0.080 0.000 1.270 576 A CA -0.219 51.852 52.037 0.058 0.000 0.945 576 A CB 0.309 19.255 19.000 -0.090 0.000 1.127 576 A HN 0.136 nan 8.150 nan 0.000 0.522 577 Q N 0.378 120.232 119.800 0.090 0.000 2.181 577 Q HA -0.148 4.192 4.340 -0.000 0.000 0.205 577 Q C 0.604 176.643 176.000 0.065 0.000 0.980 577 Q CA 1.875 57.721 55.803 0.071 0.000 0.862 577 Q CB 0.006 28.775 28.738 0.053 0.000 0.905 577 Q HN 0.531 nan 8.270 nan 0.000 0.429 578 D N -0.776 119.672 120.400 0.080 0.000 2.339 578 D HA 0.078 4.718 4.640 -0.000 0.000 0.217 578 D C -0.175 176.177 176.300 0.086 0.000 1.050 578 D CA 0.109 54.156 54.000 0.077 0.000 0.856 578 D CB 0.280 41.129 40.800 0.082 0.000 0.922 578 D HN 0.223 nan 8.370 nan 0.000 0.518 579 L N 1.585 122.850 121.223 0.069 0.000 2.380 579 L HA 0.095 4.435 4.340 -0.000 0.000 0.273 579 L C 0.530 177.438 176.870 0.064 0.000 1.138 579 L CA -0.051 54.830 54.840 0.069 0.000 0.832 579 L CB 0.727 42.785 42.059 -0.002 0.000 1.124 579 L HN -0.226 nan 8.230 nan 0.000 0.454 580 Q N 4.356 124.209 119.800 0.088 0.000 2.306 580 Q HA 0.486 4.826 4.340 -0.000 0.000 0.265 580 Q C -2.333 173.664 176.000 -0.006 0.000 1.022 580 Q CA -2.005 53.790 55.803 -0.013 0.000 0.853 580 Q CB 1.855 30.498 28.738 -0.158 0.000 1.327 580 Q HN 0.322 nan 8.270 nan 0.000 0.449 581 P HA 0.024 nan 4.420 nan 0.000 0.274 581 P C 0.778 178.046 177.300 -0.054 0.000 1.231 581 P CA -0.448 62.607 63.100 -0.076 0.000 0.790 581 P CB 0.944 32.580 31.700 -0.107 0.000 0.951 582 L N 3.098 124.326 121.223 0.008 0.000 2.089 582 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 582 L C 2.408 179.306 176.870 0.047 0.000 1.079 582 L CA 2.811 57.705 54.840 0.089 0.000 0.758 582 L CB -1.691 40.382 42.059 0.023 0.000 0.891 582 L HN 0.512 nan 8.230 nan 0.000 0.433 583 S N -2.649 113.039 115.700 -0.020 0.000 2.400 583 S HA -0.239 4.231 4.470 -0.000 0.000 0.232 583 S C 1.889 176.440 174.600 -0.081 0.000 1.025 583 S CA 1.677 59.862 58.200 -0.024 0.000 0.993 583 S CB -1.360 61.816 63.200 -0.040 0.000 0.808 583 S HN 0.575 nan 8.310 nan 0.000 0.478 584 T N 1.329 115.757 114.554 -0.209 0.000 2.684 584 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 584 T C 1.422 175.911 174.700 -0.352 0.000 1.036 584 T CA 1.915 63.805 62.100 -0.350 0.000 1.148 584 T CB -0.560 67.974 68.868 -0.556 0.000 0.863 584 T HN 0.617 nan 8.240 nan 0.000 0.436 585 Y N 1.082 121.392 120.300 0.017 0.000 2.220 585 Y HA 0.139 4.689 4.550 -0.000 0.000 0.291 585 Y C 2.235 178.238 175.900 0.172 0.000 1.129 585 Y CA 0.114 58.268 58.100 0.090 0.000 1.161 585 Y CB -0.877 37.649 38.460 0.111 0.000 0.997 585 Y HN 0.128 nan 8.280 nan 0.000 0.522 586 L N 0.145 121.512 121.223 0.239 0.000 1.990 586 L HA -0.291 4.049 4.340 -0.000 0.000 0.213 586 L C 2.380 179.346 176.870 0.160 0.000 1.072 586 L CA 1.749 56.724 54.840 0.224 0.000 0.755 586 L CB -0.622 41.543 42.059 0.177 0.000 0.889 586 L HN 0.173 nan 8.230 nan 0.000 0.432 587 K N -0.333 120.103 120.400 0.060 0.000 2.032 587 K HA -0.282 4.038 4.320 -0.000 0.000 0.209 587 K C 2.136 178.716 176.600 -0.034 0.000 1.048 587 K CA 1.698 57.989 56.287 0.007 0.000 0.927 587 K CB -0.281 32.195 32.500 -0.040 0.000 0.712 587 K HN 0.340 nan 8.250 nan 0.000 0.441 588 Q N 0.105 119.843 119.800 -0.104 0.000 2.133 588 Q HA -0.187 4.153 4.340 -0.000 0.000 0.208 588 Q C 1.086 176.836 176.000 -0.417 0.000 0.991 588 Q CA 1.752 57.369 55.803 -0.310 0.000 0.867 588 Q CB 0.000 28.468 28.738 -0.450 0.000 0.911 588 Q HN 0.279 nan 8.270 nan 0.000 0.417 589 F N -1.267 118.727 119.950 0.073 0.000 2.660 589 F HA 0.330 4.857 4.527 -0.000 0.000 0.302 589 F C 1.202 177.049 175.800 0.077 0.000 1.103 589 F CA 0.522 58.569 58.000 0.078 0.000 1.340 589 F CB 0.980 40.035 39.000 0.091 0.000 1.048 589 F HN 0.233 nan 8.300 nan 0.000 0.551 590 G N 0.729 109.622 108.800 0.154 0.000 2.131 590 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.223 590 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.223 590 G C -0.167 174.805 174.900 0.120 0.000 0.990 590 G CA -0.352 44.816 45.100 0.114 0.000 0.671 590 G HN 0.266 nan 8.290 nan 0.000 0.521 591 L N 0.653 121.963 121.223 0.145 0.000 2.330 591 L HA 0.681 5.021 4.340 -0.000 0.000 0.271 591 L C 0.352 177.282 176.870 0.099 0.000 1.013 591 L CA -0.936 53.984 54.840 0.134 0.000 0.816 591 L CB 1.534 43.712 42.059 0.199 0.000 1.287 591 L HN 0.388 nan 8.230 nan 0.000 0.435 592 D N -1.302 119.143 120.400 0.074 0.000 2.494 592 D HA 0.399 5.039 4.640 -0.000 0.000 0.259 592 D C -0.904 175.430 176.300 0.056 0.000 1.109 592 D CA -0.687 53.344 54.000 0.052 0.000 1.040 592 D CB 0.904 41.721 40.800 0.029 0.000 1.175 592 D HN 0.256 nan 8.370 nan 0.000 0.584 593 D N 0.000 120.422 120.400 0.036 0.000 6.856 593 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 593 D CA 0.000 54.019 54.000 0.032 0.000 0.868 593 D CB 0.000 40.809 40.800 0.015 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683