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 2ez4_1_A 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 0.000 174.735 174.700 0.059 0.000 1.109 9 T CA 0.000 62.126 62.100 0.043 0.000 1.349 9 T CB 0.000 68.887 68.868 0.031 0.000 0.612 10 N N 0.232 118.968 118.700 0.060 0.000 2.312 10 N HA 0.790 5.530 4.740 -0.000 0.000 0.296 10 N C -1.647 173.910 175.510 0.078 0.000 1.193 10 N CA -0.708 52.384 53.050 0.070 0.000 0.773 10 N CB 2.915 41.433 38.487 0.051 0.000 1.435 10 N HN 0.353 nan 8.380 nan 0.000 0.484 11 I N 1.019 121.638 120.570 0.082 0.000 2.686 11 I HA 0.363 4.533 4.170 -0.000 0.000 0.295 11 I C -1.263 174.865 176.117 0.017 0.000 1.114 11 I CA -0.811 60.524 61.300 0.058 0.000 1.038 11 I CB 1.461 39.518 38.000 0.094 0.000 1.238 11 I HN 0.380 nan 8.210 nan 0.000 0.420 12 L N 6.704 127.927 121.223 0.001 0.000 2.499 12 L HA 0.145 4.485 4.340 -0.000 0.000 0.273 12 L C 1.597 178.417 176.870 -0.084 0.000 1.195 12 L CA 0.242 55.077 54.840 -0.008 0.000 0.882 12 L CB 1.094 43.166 42.059 0.022 0.000 1.133 12 L HN 0.872 nan 8.230 nan 0.000 0.483 13 A N 3.664 126.433 122.820 -0.084 0.000 1.948 13 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 13 A C 2.141 179.595 177.584 -0.216 0.000 1.177 13 A CA 1.950 53.900 52.037 -0.147 0.000 0.636 13 A CB -0.910 18.031 19.000 -0.098 0.000 0.815 13 A HN 0.989 nan 8.150 nan 0.000 0.449 14 G N -0.715 107.964 108.800 -0.202 0.000 2.422 14 G HA2 0.028 3.988 3.960 -0.000 0.000 0.218 14 G HA3 0.028 3.988 3.960 -0.000 0.000 0.218 14 G C 1.731 176.487 174.900 -0.241 0.000 1.146 14 G CA 1.350 46.301 45.100 -0.248 0.000 0.769 14 G HN 0.803 nan 8.290 nan 0.000 0.547 15 A N 1.255 123.955 122.820 -0.200 0.000 1.902 15 A HA 0.252 4.572 4.320 -0.000 0.000 0.217 15 A C 2.825 180.216 177.584 -0.321 0.000 1.181 15 A CA 2.273 54.193 52.037 -0.195 0.000 0.623 15 A CB -0.824 18.109 19.000 -0.112 0.000 0.818 15 A HN 0.775 nan 8.150 nan 0.000 0.443 16 A N -0.561 121.969 122.820 -0.484 0.000 1.902 16 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 16 A C 2.233 179.339 177.584 -0.797 0.000 1.181 16 A CA 1.790 53.227 52.037 -1.000 0.000 0.623 16 A CB -1.002 17.223 19.000 -1.291 0.000 0.818 16 A HN 0.394 nan 8.150 nan 0.000 0.443 17 V N 0.714 120.345 119.914 -0.471 0.000 2.287 17 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 17 V C 2.428 178.371 176.094 -0.251 0.000 1.053 17 V CA 1.990 64.101 62.300 -0.316 0.000 1.027 17 V CB -0.665 31.007 31.823 -0.251 0.000 0.646 17 V HN 0.545 nan 8.190 nan 0.000 0.447 18 I N -0.452 119.973 120.570 -0.242 0.000 2.315 18 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 18 I C 2.398 178.440 176.117 -0.126 0.000 1.117 18 I CA 1.373 62.572 61.300 -0.169 0.000 1.404 18 I CB -1.331 36.575 38.000 -0.157 0.000 1.071 18 I HN 0.305 nan 8.210 nan 0.000 0.419 19 K N 0.785 121.076 120.400 -0.183 0.000 2.147 19 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 19 K C 2.292 178.921 176.600 0.049 0.000 1.049 19 K CA 0.717 56.967 56.287 -0.061 0.000 0.936 19 K CB -0.713 31.759 32.500 -0.047 0.000 0.722 19 K HN 0.207 nan 8.250 nan 0.000 0.446 20 V N 1.907 121.797 119.914 -0.041 0.000 2.295 20 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 20 V C 2.417 178.654 176.094 0.239 0.000 1.049 20 V CA 1.433 63.836 62.300 0.171 0.000 1.024 20 V CB -0.461 31.423 31.823 0.101 0.000 0.648 20 V HN 0.190 nan 8.190 nan 0.000 0.447 21 L N -0.337 120.940 121.223 0.090 0.000 2.042 21 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 21 L C 2.567 179.504 176.870 0.112 0.000 1.076 21 L CA 1.858 56.748 54.840 0.083 0.000 0.749 21 L CB -0.758 41.290 42.059 -0.018 0.000 0.893 21 L HN 0.406 nan 8.230 nan 0.000 0.432 22 E N 0.307 120.547 120.200 0.067 0.000 2.077 22 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 22 E C 2.335 178.980 176.600 0.074 0.000 0.989 22 E CA 1.126 57.558 56.400 0.054 0.000 0.800 22 E CB -0.204 29.513 29.700 0.029 0.000 0.746 22 E HN 0.499 nan 8.360 nan 0.000 0.452 23 A N 0.663 123.541 122.820 0.098 0.000 1.940 23 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 23 A C 1.463 179.007 177.584 -0.068 0.000 1.176 23 A CA 1.052 53.096 52.037 0.012 0.000 0.631 23 A CB -0.912 18.096 19.000 0.013 0.000 0.814 23 A HN 0.374 nan 8.150 nan 0.000 0.446 24 W N -0.766 120.537 121.300 0.004 0.000 3.077 24 W HA 0.353 5.013 4.660 -0.000 0.000 0.245 24 W C 1.563 178.060 176.519 -0.036 0.000 1.316 24 W CA 0.849 58.182 57.345 -0.021 0.000 1.537 24 W CB -0.079 29.378 29.460 -0.005 0.000 1.131 24 W HN 0.585 nan 8.180 nan 0.000 0.695 25 G N 0.139 109.016 108.800 0.129 0.000 2.147 25 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 25 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 25 G C -0.027 174.903 174.900 0.050 0.000 1.005 25 G CA -0.045 45.096 45.100 0.067 0.000 0.713 25 G HN 0.023 nan 8.290 nan 0.000 0.515 26 V N 0.799 120.743 119.914 0.050 0.000 2.446 26 V HA 0.240 4.360 4.120 -0.000 0.000 0.276 26 V C 1.483 177.552 176.094 -0.042 0.000 1.030 26 V CA 1.124 63.407 62.300 -0.029 0.000 1.033 26 V CB 1.276 33.076 31.823 -0.039 0.000 0.993 26 V HN 0.512 nan 8.190 nan 0.000 0.477 27 D N 3.242 123.597 120.400 -0.074 0.000 2.162 27 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 27 D C 0.742 177.105 176.300 0.105 0.000 0.964 27 D CA 0.887 54.919 54.000 0.052 0.000 0.847 27 D CB 0.337 41.213 40.800 0.127 0.000 0.988 27 D HN 0.806 nan 8.370 nan 0.000 0.480 28 H N -1.376 117.673 119.070 -0.034 0.000 2.980 28 H HA 0.534 5.090 4.556 -0.000 0.000 0.367 28 H C -0.874 174.301 175.328 -0.254 0.000 1.206 28 H CA -1.177 54.791 56.048 -0.135 0.000 1.126 28 H CB 0.989 30.622 29.762 -0.214 0.000 1.838 28 H HN 0.117 nan 8.280 nan 0.000 0.552 29 L N -0.630 120.464 121.223 -0.215 0.000 2.540 29 L HA 0.685 5.025 4.340 -0.000 0.000 0.256 29 L C -2.061 174.654 176.870 -0.258 0.000 1.001 29 L CA -1.175 53.532 54.840 -0.222 0.000 0.843 29 L CB 2.433 44.527 42.059 0.059 0.000 1.436 29 L HN 0.492 nan 8.230 nan 0.000 0.410 30 Y N 0.223 120.580 120.300 0.095 0.000 2.485 30 Y HA 0.989 5.539 4.550 -0.000 0.000 0.345 30 Y C 0.680 176.373 175.900 -0.344 0.000 0.998 30 Y CA -0.096 57.966 58.100 -0.062 0.000 1.059 30 Y CB 2.406 40.812 38.460 -0.091 0.000 1.234 30 Y HN 1.060 nan 8.280 nan 0.000 0.461 31 G N 0.934 109.571 108.800 -0.272 0.000 2.317 31 G HA2 0.461 4.421 3.960 -0.000 0.000 0.293 31 G HA3 0.461 4.421 3.960 -0.000 0.000 0.293 31 G C -2.254 172.492 174.900 -0.256 0.000 1.287 31 G CA -0.953 43.645 45.100 -0.837 0.000 0.850 31 G HN 0.509 nan 8.290 nan 0.000 0.515 32 I N 2.057 122.507 120.570 -0.200 0.000 2.533 32 I HA 0.403 4.573 4.170 -0.000 0.000 0.290 32 I C -2.150 174.156 176.117 0.315 0.000 1.056 32 I CA -2.030 59.363 61.300 0.155 0.000 1.057 32 I CB 2.964 41.022 38.000 0.097 0.000 1.240 32 I HN 0.312 nan 8.210 nan 0.000 0.423 33 P HA 0.422 nan 4.420 nan 0.000 0.274 33 P C -0.436 176.965 177.300 0.169 0.000 1.256 33 P CA -0.094 63.159 63.100 0.254 0.000 0.795 33 P CB 1.338 33.127 31.700 0.149 0.000 1.038 34 G N -1.608 107.259 108.800 0.111 0.000 2.601 34 G HA2 0.426 4.386 3.960 -0.000 0.000 0.291 34 G HA3 0.426 4.386 3.960 -0.000 0.000 0.291 34 G C 0.729 175.668 174.900 0.066 0.000 1.456 34 G CA -0.103 45.056 45.100 0.098 0.000 0.804 34 G HN 0.480 nan 8.290 nan 0.000 0.499 35 G N 0.246 109.099 108.800 0.089 0.000 2.503 35 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.221 35 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.221 35 G C 2.046 176.961 174.900 0.025 0.000 1.131 35 G CA 2.411 47.558 45.100 0.078 0.000 0.756 35 G HN 1.624 nan 8.290 nan 0.000 0.572 36 S N -0.736 114.983 115.700 0.033 0.000 2.555 36 S HA 0.211 4.681 4.470 -0.000 0.000 0.230 36 S C 1.634 176.181 174.600 -0.089 0.000 0.978 36 S CA 0.736 58.928 58.200 -0.013 0.000 0.934 36 S CB 0.085 63.316 63.200 0.051 0.000 0.766 36 S HN 0.348 nan 8.310 nan 0.000 0.533 37 I N 0.319 120.826 120.570 -0.106 0.000 3.966 37 I HA 0.313 4.483 4.170 -0.000 0.000 0.324 37 I C 0.709 176.644 176.117 -0.303 0.000 1.517 37 I CA -0.119 61.053 61.300 -0.213 0.000 1.117 37 I CB 0.340 38.247 38.000 -0.154 0.000 1.190 37 I HN 0.008 nan 8.210 nan 0.000 0.466 38 N N 0.721 119.272 118.700 -0.247 0.000 2.381 38 N HA -0.124 4.616 4.740 -0.000 0.000 0.182 38 N C 1.983 177.218 175.510 -0.457 0.000 1.025 38 N CA 1.587 54.507 53.050 -0.217 0.000 0.888 38 N CB 0.074 38.570 38.487 0.015 0.000 0.965 38 N HN 0.521 nan 8.380 nan 0.000 0.438 39 S N -0.154 114.980 115.700 -0.943 0.000 2.414 39 S HA 0.057 4.527 4.470 -0.000 0.000 0.227 39 S C 1.917 176.044 174.600 -0.789 0.000 1.022 39 S CA 0.183 57.496 58.200 -1.478 0.000 0.958 39 S CB -0.077 61.748 63.200 -2.291 0.000 0.797 39 S HN 0.043 nan 8.310 nan 0.000 0.493 40 I N 1.907 122.111 120.570 -0.610 0.000 2.252 40 I HA -0.063 4.107 4.170 -0.000 0.000 0.245 40 I C 2.436 178.270 176.117 -0.470 0.000 1.102 40 I CA 1.239 62.238 61.300 -0.501 0.000 1.385 40 I CB -1.096 36.591 38.000 -0.522 0.000 1.064 40 I HN 0.303 nan 8.210 nan 0.000 0.414 41 M N 0.032 119.348 119.600 -0.473 0.000 2.108 41 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 41 M C 1.991 178.147 176.300 -0.241 0.000 1.066 41 M CA 1.620 56.688 55.300 -0.388 0.000 1.107 41 M CB -1.470 30.956 32.600 -0.290 0.000 1.356 41 M HN 0.165 nan 8.290 nan 0.000 0.406 42 D N 0.056 120.346 120.400 -0.183 0.000 2.117 42 D HA -0.057 4.583 4.640 -0.000 0.000 0.197 42 D C 1.914 178.171 176.300 -0.071 0.000 0.987 42 D CA 1.652 55.628 54.000 -0.040 0.000 0.829 42 D CB 0.087 40.975 40.800 0.147 0.000 0.961 42 D HN 0.303 nan 8.370 nan 0.000 0.460 43 A N 0.161 122.888 122.820 -0.155 0.000 1.898 43 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 43 A C 2.501 180.002 177.584 -0.138 0.000 1.181 43 A CA 0.894 52.844 52.037 -0.146 0.000 0.620 43 A CB -0.784 18.093 19.000 -0.206 0.000 0.819 43 A HN 0.320 nan 8.150 nan 0.000 0.442 44 L N -0.680 120.433 121.223 -0.183 0.000 2.042 44 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 44 L C 2.927 179.748 176.870 -0.082 0.000 1.076 44 L CA 1.522 56.270 54.840 -0.153 0.000 0.749 44 L CB -0.413 41.508 42.059 -0.230 0.000 0.893 44 L HN 0.499 nan 8.230 nan 0.000 0.432 45 S N -0.357 115.300 115.700 -0.072 0.000 2.370 45 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 45 S C 2.097 176.695 174.600 -0.003 0.000 1.033 45 S CA 1.310 59.501 58.200 -0.015 0.000 1.011 45 S CB -0.114 63.083 63.200 -0.005 0.000 0.852 45 S HN 0.461 nan 8.310 nan 0.000 0.457 46 A N 0.649 123.460 122.820 -0.016 0.000 2.015 46 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 46 A C 1.790 179.365 177.584 -0.016 0.000 1.163 46 A CA 1.221 53.253 52.037 -0.009 0.000 0.646 46 A CB -0.250 18.743 19.000 -0.011 0.000 0.806 46 A HN 0.499 nan 8.150 nan 0.000 0.448 47 E N -0.542 119.636 120.200 -0.036 0.000 2.451 47 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 47 E C 1.544 178.105 176.600 -0.066 0.000 1.027 47 E CA 0.086 56.456 56.400 -0.051 0.000 0.914 47 E CB 0.029 29.684 29.700 -0.074 0.000 1.054 47 E HN 0.861 nan 8.360 nan 0.000 0.461 48 R N 0.134 120.618 120.500 -0.027 0.000 2.241 48 R HA -0.052 4.288 4.340 -0.000 0.000 0.224 48 R C 0.668 176.967 176.300 -0.002 0.000 1.101 48 R CA 1.067 57.164 56.100 -0.004 0.000 0.995 48 R CB 0.010 30.354 30.300 0.072 0.000 0.870 48 R HN -0.152 nan 8.270 nan 0.000 0.463 49 D N 0.517 120.920 120.400 0.005 0.000 2.277 49 D HA -0.013 4.627 4.640 -0.000 0.000 0.208 49 D C 1.570 177.872 176.300 0.004 0.000 0.962 49 D CA 0.688 54.720 54.000 0.054 0.000 0.865 49 D CB 0.177 41.008 40.800 0.050 0.000 0.939 49 D HN 0.294 nan 8.370 nan 0.000 0.510 50 R N -0.429 119.997 120.500 -0.123 0.000 2.250 50 R HA 0.334 4.674 4.340 -0.000 0.000 0.194 50 R C 0.696 176.806 176.300 -0.317 0.000 0.927 50 R CA -0.075 55.945 56.100 -0.133 0.000 1.052 50 R CB 1.542 31.807 30.300 -0.058 0.000 1.055 50 R HN 0.156 nan 8.270 nan 0.000 0.537 51 I N 1.360 121.639 120.570 -0.485 0.000 2.619 51 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 51 I C -1.232 174.546 176.117 -0.565 0.000 1.100 51 I CA -0.857 60.170 61.300 -0.454 0.000 1.043 51 I CB 2.151 40.046 38.000 -0.174 0.000 1.239 51 I HN 0.048 nan 8.210 nan 0.000 0.420 52 H N 6.921 126.022 119.070 0.050 0.000 2.685 52 H HA 0.174 4.730 4.556 -0.000 0.000 0.307 52 H C -1.357 174.001 175.328 0.051 0.000 1.017 52 H CA -0.424 55.657 56.048 0.055 0.000 1.237 52 H CB 1.052 30.828 29.762 0.023 0.000 1.409 52 H HN 0.495 nan 8.280 nan 0.000 0.488 53 Y N 4.704 125.038 120.300 0.056 0.000 2.359 53 Y HA 0.187 4.737 4.550 -0.000 0.000 0.334 53 Y C -0.642 175.242 175.900 -0.026 0.000 1.058 53 Y CA -0.797 57.327 58.100 0.039 0.000 1.244 53 Y CB 0.487 39.010 38.460 0.105 0.000 1.187 53 Y HN 0.427 nan 8.280 nan 0.000 0.510 54 I N 7.622 127.776 120.570 -0.693 0.000 2.359 54 I HA 0.161 4.331 4.170 -0.000 0.000 0.284 54 I C -0.249 175.395 176.117 -0.789 0.000 1.018 54 I CA -0.648 60.138 61.300 -0.856 0.000 1.173 54 I CB 1.208 38.784 38.000 -0.707 0.000 1.326 54 I HN 0.630 nan 8.210 nan 0.000 0.462 55 Q N 7.116 126.513 119.800 -0.671 0.000 2.307 55 Q HA 0.320 4.660 4.340 -0.000 0.000 0.259 55 Q C -0.725 175.295 176.000 0.033 0.000 0.998 55 Q CA -0.211 55.429 55.803 -0.271 0.000 0.923 55 Q CB 1.520 30.248 28.738 -0.016 0.000 1.196 55 Q HN 0.600 nan 8.270 nan 0.000 0.416 56 V N 2.974 122.911 119.914 0.038 0.000 3.134 56 V HA 0.484 4.604 4.120 -0.000 0.000 0.313 56 V C 0.753 176.898 176.094 0.085 0.000 1.069 56 V CA -0.695 61.647 62.300 0.071 0.000 1.048 56 V CB 1.455 33.304 31.823 0.045 0.000 1.119 56 V HN 0.725 nan 8.190 nan 0.000 0.461 57 R N -0.125 120.428 120.500 0.088 0.000 2.300 57 R HA 0.291 4.631 4.340 -0.000 0.000 0.199 57 R C 0.194 176.572 176.300 0.129 0.000 0.920 57 R CA 0.399 56.556 56.100 0.095 0.000 1.046 57 R CB -0.532 29.816 30.300 0.080 0.000 0.984 57 R HN 0.945 nan 8.270 nan 0.000 0.493 58 H N -0.121 118.948 119.070 -0.001 0.000 3.026 58 H HA 0.168 4.724 4.556 -0.000 0.000 0.352 58 H C -0.194 175.108 175.328 -0.044 0.000 1.090 58 H CA -0.250 55.776 56.048 -0.037 0.000 1.268 58 H CB 1.611 31.305 29.762 -0.114 0.000 1.816 58 H HN -0.215 nan 8.280 nan 0.000 0.518 59 E N 2.203 122.467 120.200 0.107 0.000 2.265 59 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 59 E C 1.754 178.451 176.600 0.162 0.000 0.996 59 E CA 1.382 57.853 56.400 0.118 0.000 0.832 59 E CB 0.192 29.959 29.700 0.111 0.000 0.756 59 E HN 0.781 nan 8.360 nan 0.000 0.491 60 E N 0.494 120.888 120.200 0.323 0.000 2.153 60 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 60 E C 1.770 178.365 176.600 -0.009 0.000 0.988 60 E CA 1.210 57.676 56.400 0.111 0.000 0.811 60 E CB -0.154 29.539 29.700 -0.011 0.000 0.746 60 E HN 0.116 nan 8.360 nan 0.000 0.466 61 V N 1.478 121.377 119.914 -0.026 0.000 2.427 61 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 61 V C 2.486 178.468 176.094 -0.188 0.000 1.051 61 V CA 1.820 64.061 62.300 -0.098 0.000 1.048 61 V CB -0.720 31.062 31.823 -0.069 0.000 0.666 61 V HN 0.556 nan 8.190 nan 0.000 0.456 62 G N -0.264 108.452 108.800 -0.139 0.000 2.418 62 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 62 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 62 G C 1.777 176.543 174.900 -0.224 0.000 1.158 62 G CA 1.005 45.977 45.100 -0.214 0.000 0.771 62 G HN 0.585 nan 8.290 nan 0.000 0.545 63 A N 0.555 123.317 122.820 -0.096 0.000 1.902 63 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 63 A C 2.465 179.990 177.584 -0.097 0.000 1.181 63 A CA 1.818 53.819 52.037 -0.061 0.000 0.623 63 A CB -0.357 18.645 19.000 0.003 0.000 0.818 63 A HN 0.379 nan 8.150 nan 0.000 0.443 64 M N -0.599 118.936 119.600 -0.108 0.000 2.159 64 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 64 M C 2.489 178.690 176.300 -0.165 0.000 1.063 64 M CA 1.368 56.608 55.300 -0.099 0.000 1.110 64 M CB -0.333 32.224 32.600 -0.072 0.000 1.374 64 M HN 0.481 nan 8.290 nan 0.000 0.411 65 A N 0.277 122.893 122.820 -0.340 0.000 1.930 65 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 65 A C 2.349 179.748 177.584 -0.309 0.000 1.175 65 A CA 1.800 53.544 52.037 -0.489 0.000 0.627 65 A CB -0.897 17.416 19.000 -1.146 0.000 0.815 65 A HN 0.488 nan 8.150 nan 0.000 0.443 66 A N -0.034 122.633 122.820 -0.255 0.000 1.902 66 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 66 A C 2.512 180.097 177.584 0.000 0.000 1.181 66 A CA 2.123 54.186 52.037 0.044 0.000 0.623 66 A CB -1.034 18.009 19.000 0.071 0.000 0.818 66 A HN 1.042 nan 8.150 nan 0.000 0.443 67 A N -0.144 122.649 122.820 -0.045 0.000 1.902 67 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 67 A C 2.518 180.091 177.584 -0.017 0.000 1.181 67 A CA 2.175 54.188 52.037 -0.039 0.000 0.623 67 A CB -1.048 17.926 19.000 -0.044 0.000 0.818 67 A HN 1.074 nan 8.150 nan 0.000 0.443 68 A N -0.139 122.674 122.820 -0.012 0.000 1.902 68 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 68 A C 1.810 179.437 177.584 0.072 0.000 1.181 68 A CA 1.841 53.891 52.037 0.021 0.000 0.623 68 A CB -0.647 18.362 19.000 0.015 0.000 0.818 68 A HN 0.470 nan 8.150 nan 0.000 0.443 69 D N 0.167 120.630 120.400 0.104 0.000 2.126 69 D HA -0.187 4.453 4.640 -0.000 0.000 0.190 69 D C 2.247 178.601 176.300 0.089 0.000 1.001 69 D CA 1.933 56.021 54.000 0.146 0.000 0.841 69 D CB -0.444 40.457 40.800 0.167 0.000 0.949 69 D HN 0.428 nan 8.370 nan 0.000 0.446 70 A N 0.823 123.668 122.820 0.041 0.000 1.930 70 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 70 A C 2.086 179.695 177.584 0.042 0.000 1.175 70 A CA 1.497 53.547 52.037 0.023 0.000 0.627 70 A CB -0.344 18.637 19.000 -0.031 0.000 0.815 70 A HN 0.174 nan 8.150 nan 0.000 0.443 71 K N -0.442 119.974 120.400 0.026 0.000 2.063 71 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 71 K C 1.827 178.461 176.600 0.057 0.000 1.048 71 K CA 1.475 57.772 56.287 0.016 0.000 0.928 71 K CB -0.353 32.141 32.500 -0.010 0.000 0.713 71 K HN 0.466 nan 8.250 nan 0.000 0.442 72 L N 0.054 121.340 121.223 0.105 0.000 2.068 72 L HA -0.118 4.222 4.340 -0.000 0.000 0.204 72 L C 2.539 179.542 176.870 0.222 0.000 1.076 72 L CA 1.575 56.524 54.840 0.182 0.000 0.753 72 L CB -0.383 41.856 42.059 0.300 0.000 0.910 72 L HN 0.350 nan 8.230 nan 0.000 0.439 73 T N -5.178 109.484 114.554 0.180 0.000 2.990 73 T HA 0.272 4.622 4.350 -0.000 0.000 0.250 73 T C 1.468 176.248 174.700 0.132 0.000 1.041 73 T CA 0.484 62.678 62.100 0.157 0.000 1.010 73 T CB 0.913 69.834 68.868 0.088 0.000 1.003 73 T HN 0.408 nan 8.240 nan 0.000 0.499 74 G N 1.565 110.442 108.800 0.127 0.000 2.184 74 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.264 74 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.264 74 G C 0.037 175.064 174.900 0.211 0.000 0.975 74 G CA 0.488 45.683 45.100 0.158 0.000 0.642 74 G HN 0.905 nan 8.290 nan 0.000 0.536 75 K N 0.975 121.464 120.400 0.149 0.000 2.205 75 K HA 0.606 4.926 4.320 -0.000 0.000 0.279 75 K C 0.828 177.429 176.600 0.002 0.000 1.027 75 K CA -0.968 55.413 56.287 0.157 0.000 0.932 75 K CB 0.571 33.118 32.500 0.077 0.000 1.032 75 K HN 0.362 nan 8.250 nan 0.000 0.466 76 I N 3.875 124.332 120.570 -0.189 0.000 2.821 76 I HA 0.016 4.186 4.170 -0.000 0.000 0.294 76 I C 0.396 176.386 176.117 -0.211 0.000 1.210 76 I CA 0.667 61.708 61.300 -0.432 0.000 1.430 76 I CB 0.122 37.636 38.000 -0.810 0.000 1.356 76 I HN 0.839 nan 8.210 nan 0.000 0.563 77 G N 6.342 115.048 108.800 -0.156 0.000 2.476 77 G HA2 0.503 4.463 3.960 -0.000 0.000 0.269 77 G HA3 0.503 4.463 3.960 -0.000 0.000 0.269 77 G C -1.006 173.856 174.900 -0.063 0.000 1.195 77 G CA -0.439 44.624 45.100 -0.062 0.000 0.843 77 G HN 0.529 nan 8.290 nan 0.000 0.545 78 V N 0.932 120.854 119.914 0.013 0.000 2.577 78 V HA 0.530 4.650 4.120 -0.000 0.000 0.303 78 V C 0.198 176.383 176.094 0.152 0.000 1.042 78 V CA -0.784 61.532 62.300 0.026 0.000 0.872 78 V CB 0.849 32.659 31.823 -0.022 0.000 0.998 78 V HN 1.229 nan 8.190 nan 0.000 0.423 79 C N 3.549 122.926 119.300 0.128 0.000 3.154 79 C HA 1.031 5.491 4.460 -0.000 0.000 0.312 79 C C -0.911 174.183 174.990 0.173 0.000 1.349 79 C CA -1.049 58.054 59.018 0.142 0.000 1.518 79 C CB 1.448 29.231 27.740 0.073 0.000 1.934 79 C HN 1.019 nan 8.230 nan 0.000 0.462 80 F N -0.628 119.361 119.950 0.065 0.000 2.668 80 F HA 0.896 5.423 4.527 -0.000 0.000 0.309 80 F C -0.362 175.463 175.800 0.042 0.000 1.117 80 F CA -0.340 57.667 58.000 0.011 0.000 0.951 80 F CB 1.395 40.379 39.000 -0.026 0.000 1.323 80 F HN 1.136 nan 8.300 nan 0.000 0.451 81 G N 0.737 109.663 108.800 0.209 0.000 2.682 81 G HA2 0.538 4.498 3.960 -0.000 0.000 0.300 81 G HA3 0.538 4.498 3.960 -0.000 0.000 0.300 81 G C -1.249 173.760 174.900 0.182 0.000 1.391 81 G CA -0.640 44.546 45.100 0.143 0.000 0.990 81 G HN 1.059 nan 8.290 nan 0.000 0.501 82 S N 0.620 116.417 115.700 0.162 0.000 2.596 82 S HA 0.590 5.060 4.470 -0.000 0.000 0.260 82 S C 1.002 175.644 174.600 0.069 0.000 1.336 82 S CA 0.154 58.420 58.200 0.109 0.000 0.993 82 S CB 0.984 64.246 63.200 0.103 0.000 0.923 82 S HN 1.873 nan 8.310 nan 0.000 0.567 83 A N 1.100 123.952 122.820 0.054 0.000 2.561 83 A HA 0.515 4.835 4.320 -0.000 0.000 0.234 83 A C 1.519 179.109 177.584 0.011 0.000 1.055 83 A CA 0.319 52.383 52.037 0.044 0.000 0.756 83 A CB -1.474 17.560 19.000 0.056 0.000 0.986 83 A HN 2.450 nan 8.150 nan 0.000 0.505 84 G N 2.323 111.132 108.800 0.014 0.000 2.557 84 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.292 84 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.292 84 G C -0.683 174.195 174.900 -0.037 0.000 1.162 84 G CA 0.390 45.470 45.100 -0.033 0.000 0.964 84 G HN 0.838 nan 8.290 nan 0.000 0.541 85 P HA 0.000 nan 4.420 nan 0.000 0.220 85 P C 1.934 179.110 177.300 -0.207 0.000 1.148 85 P CA 2.481 65.465 63.100 -0.194 0.000 0.803 85 P CB -0.670 30.887 31.700 -0.240 0.000 0.782 86 G N 0.625 109.381 108.800 -0.074 0.000 2.433 86 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 86 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 86 G C 1.880 176.827 174.900 0.078 0.000 1.186 86 G CA 0.955 46.059 45.100 0.007 0.000 0.779 86 G HN 0.360 nan 8.290 nan 0.000 0.543 87 G N 0.493 109.360 108.800 0.111 0.000 2.418 87 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 87 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 87 G C 2.012 177.086 174.900 0.290 0.000 1.158 87 G CA 2.212 47.443 45.100 0.217 0.000 0.771 87 G HN 0.600 nan 8.290 nan 0.000 0.545 88 T N -2.401 112.255 114.554 0.171 0.000 2.962 88 T HA -0.069 4.281 4.350 -0.000 0.000 0.270 88 T C 1.909 176.728 174.700 0.198 0.000 1.088 88 T CA 1.416 63.586 62.100 0.117 0.000 1.127 88 T CB -0.622 68.249 68.868 0.005 0.000 0.883 88 T HN 0.543 nan 8.240 nan 0.000 0.493 89 H N 0.521 119.650 119.070 0.099 0.000 2.489 89 H HA 0.168 4.724 4.556 -0.000 0.000 0.293 89 H C 1.898 177.329 175.328 0.171 0.000 1.066 89 H CA 0.702 56.827 56.048 0.129 0.000 1.305 89 H CB -0.127 29.639 29.762 0.006 0.000 1.386 89 H HN 0.318 nan 8.280 nan 0.000 0.551 90 L N -0.123 121.260 121.223 0.266 0.000 2.275 90 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 90 L C 2.168 179.149 176.870 0.184 0.000 1.119 90 L CA 0.054 55.007 54.840 0.187 0.000 0.790 90 L CB -0.198 41.955 42.059 0.156 0.000 0.919 90 L HN 0.361 nan 8.230 nan 0.000 0.443 91 M N 0.061 119.799 119.600 0.231 0.000 2.089 91 M HA -0.258 4.222 4.480 -0.000 0.000 0.257 91 M C 1.925 178.393 176.300 0.280 0.000 1.071 91 M CA 1.854 57.314 55.300 0.266 0.000 1.096 91 M CB -1.407 31.360 32.600 0.278 0.000 1.330 91 M HN 0.279 nan 8.290 nan 0.000 0.403 92 N N 0.027 118.879 118.700 0.253 0.000 2.166 92 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 92 N C 1.753 177.391 175.510 0.215 0.000 1.019 92 N CA 1.582 54.826 53.050 0.323 0.000 0.856 92 N CB -0.615 38.034 38.487 0.271 0.000 0.993 92 N HN 0.506 nan 8.380 nan 0.000 0.426 93 G N 0.174 109.042 108.800 0.113 0.000 2.421 93 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 93 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 93 G C 1.406 176.295 174.900 -0.018 0.000 1.143 93 G CA 0.255 45.379 45.100 0.040 0.000 0.784 93 G HN 0.198 nan 8.290 nan 0.000 0.541 94 L N -1.113 120.095 121.223 -0.026 0.000 2.072 94 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 94 L C 2.598 179.295 176.870 -0.287 0.000 1.079 94 L CA 0.794 55.557 54.840 -0.128 0.000 0.752 94 L CB -0.460 41.537 42.059 -0.104 0.000 0.906 94 L HN 0.150 nan 8.230 nan 0.000 0.436 95 Y N 0.264 120.345 120.300 -0.367 0.000 2.242 95 Y HA -0.272 4.278 4.550 -0.000 0.000 0.291 95 Y C 2.416 177.908 175.900 -0.679 0.000 1.137 95 Y CA 1.666 59.312 58.100 -0.757 0.000 1.181 95 Y CB -0.293 37.205 38.460 -1.602 0.000 0.989 95 Y HN 0.239 nan 8.280 nan 0.000 0.527 96 D N -0.254 119.985 120.400 -0.268 0.000 2.104 96 D HA -0.208 4.431 4.640 -0.000 0.000 0.194 96 D C 2.232 178.497 176.300 -0.058 0.000 0.994 96 D CA 1.491 55.486 54.000 -0.008 0.000 0.830 96 D CB -0.250 40.609 40.800 0.099 0.000 0.959 96 D HN 0.241 nan 8.370 nan 0.000 0.452 97 A N 0.278 123.041 122.820 -0.095 0.000 1.933 97 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 97 A C 2.286 179.815 177.584 -0.093 0.000 1.175 97 A CA 1.649 53.630 52.037 -0.094 0.000 0.628 97 A CB -0.634 18.308 19.000 -0.097 0.000 0.814 97 A HN 0.247 nan 8.150 nan 0.000 0.444 98 R N -0.514 119.905 120.500 -0.135 0.000 2.062 98 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 98 R C 1.881 178.172 176.300 -0.015 0.000 1.136 98 R CA 1.606 57.647 56.100 -0.099 0.000 0.948 98 R CB -0.211 29.973 30.300 -0.194 0.000 0.845 98 R HN 0.435 nan 8.270 nan 0.000 0.430 99 E N 0.619 120.811 120.200 -0.014 0.000 2.150 99 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 99 E C 1.017 177.656 176.600 0.064 0.000 0.985 99 E CA 1.027 57.472 56.400 0.074 0.000 0.814 99 E CB -0.121 29.664 29.700 0.142 0.000 0.752 99 E HN 0.377 nan 8.360 nan 0.000 0.466 100 D N 0.075 120.447 120.400 -0.046 0.000 2.319 100 D HA -0.016 4.624 4.640 -0.000 0.000 0.230 100 D C -0.411 175.523 176.300 -0.611 0.000 1.094 100 D CA 0.150 53.992 54.000 -0.263 0.000 0.856 100 D CB -0.696 39.994 40.800 -0.184 0.000 0.915 100 D HN 0.363 nan 8.370 nan 0.000 0.517 101 H N -2.109 116.969 119.070 0.013 0.000 2.506 101 H HA -0.152 4.404 4.556 -0.000 0.000 0.323 101 H C -0.586 174.751 175.328 0.014 0.000 1.076 101 H CA 0.286 56.342 56.048 0.014 0.000 1.108 101 H CB -2.585 27.195 29.762 0.029 0.000 1.569 101 H HN 0.017 nan 8.280 nan 0.000 0.399 102 V N -2.605 117.290 119.914 -0.033 0.000 2.769 102 V HA 0.739 4.859 4.120 -0.000 0.000 0.312 102 V C -2.370 173.693 176.094 -0.051 0.000 1.061 102 V CA -2.605 59.679 62.300 -0.027 0.000 0.931 102 V CB 2.537 34.323 31.823 -0.062 0.000 1.010 102 V HN 0.261 nan 8.190 nan 0.000 0.433 103 P HA 0.348 nan 4.420 nan 0.000 0.276 103 P C -0.801 176.361 177.300 -0.230 0.000 1.253 103 P CA 0.048 63.023 63.100 -0.207 0.000 0.766 103 P CB 1.341 32.800 31.700 -0.401 0.000 0.845 104 V N 5.220 125.017 119.914 -0.195 0.000 2.638 104 V HA 0.282 4.402 4.120 -0.000 0.000 0.306 104 V C -0.117 175.875 176.094 -0.170 0.000 1.052 104 V CA -0.869 61.333 62.300 -0.164 0.000 0.885 104 V CB 2.228 33.987 31.823 -0.107 0.000 0.999 104 V HN 0.375 nan 8.190 nan 0.000 0.424 105 L N 4.622 125.744 121.223 -0.169 0.000 2.282 105 L HA 0.892 5.232 4.340 -0.000 0.000 0.288 105 L C 0.167 176.985 176.870 -0.088 0.000 1.033 105 L CA -0.023 54.730 54.840 -0.146 0.000 0.807 105 L CB 1.109 43.060 42.059 -0.180 0.000 1.209 105 L HN 0.798 nan 8.230 nan 0.000 0.423 106 A N 6.694 129.457 122.820 -0.095 0.000 2.304 106 A HA 0.715 5.035 4.320 -0.000 0.000 0.314 106 A C -1.120 176.400 177.584 -0.106 0.000 1.187 106 A CA -0.576 51.412 52.037 -0.082 0.000 0.810 106 A CB 0.544 19.471 19.000 -0.121 0.000 1.183 106 A HN 0.712 nan 8.150 nan 0.000 0.487 107 L N 3.733 124.936 121.223 -0.032 0.000 2.295 107 L HA 0.522 4.862 4.340 -0.000 0.000 0.285 107 L C -0.696 176.146 176.870 -0.045 0.000 1.035 107 L CA -0.685 54.117 54.840 -0.063 0.000 0.806 107 L CB 1.285 43.309 42.059 -0.059 0.000 1.214 107 L HN 0.471 nan 8.230 nan 0.000 0.426 108 I N 2.238 122.730 120.570 -0.128 0.000 2.406 108 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 108 I C 0.835 176.913 176.117 -0.064 0.000 0.999 108 I CA -0.303 60.933 61.300 -0.108 0.000 1.124 108 I CB 1.378 39.231 38.000 -0.243 0.000 1.289 108 I HN 0.606 nan 8.210 nan 0.000 0.441 109 G N 4.543 113.335 108.800 -0.015 0.000 2.484 109 G HA2 0.284 4.244 3.960 -0.000 0.000 0.235 109 G HA3 0.284 4.244 3.960 -0.000 0.000 0.235 109 G C -0.399 174.498 174.900 -0.004 0.000 1.282 109 G CA 0.144 45.228 45.100 -0.026 0.000 0.857 109 G HN 0.611 nan 8.290 nan 0.000 0.571 110 Q N 0.218 120.013 119.800 -0.007 0.000 2.418 110 Q HA 0.510 4.850 4.340 -0.000 0.000 0.282 110 Q C -1.022 175.024 176.000 0.077 0.000 1.044 110 Q CA -0.935 54.897 55.803 0.049 0.000 0.813 110 Q CB 1.368 30.126 28.738 0.034 0.000 1.428 110 Q HN 0.451 nan 8.270 nan 0.000 0.402 111 F N 1.457 121.409 119.950 0.003 0.000 2.589 111 F HA 0.457 4.983 4.527 -0.000 0.000 0.352 111 F C 1.202 177.014 175.800 0.019 0.000 1.168 111 F CA 1.502 59.516 58.000 0.024 0.000 1.353 111 F CB 0.593 39.614 39.000 0.035 0.000 1.116 111 F HN 0.651 nan 8.300 nan 0.000 0.608 112 G N 2.438 111.067 108.800 -0.284 0.000 2.562 112 G HA2 0.119 4.079 3.960 -0.000 0.000 0.233 112 G HA3 0.119 4.079 3.960 -0.000 0.000 0.233 112 G C 0.938 175.918 174.900 0.133 0.000 1.266 112 G CA 0.038 45.084 45.100 -0.091 0.000 0.852 112 G HN 0.975 nan 8.290 nan 0.000 0.581 113 T N -1.525 113.078 114.554 0.081 0.000 2.849 113 T HA -0.248 4.102 4.350 -0.000 0.000 0.270 113 T C 2.323 177.095 174.700 0.119 0.000 1.066 113 T CA 2.191 64.347 62.100 0.093 0.000 1.130 113 T CB -0.714 68.185 68.868 0.052 0.000 0.864 113 T HN 0.746 nan 8.240 nan 0.000 0.481 114 T N -1.462 113.171 114.554 0.132 0.000 2.995 114 T HA 0.204 4.554 4.350 -0.000 0.000 0.269 114 T C 2.089 176.916 174.700 0.212 0.000 1.091 114 T CA 0.878 63.063 62.100 0.142 0.000 1.128 114 T CB -0.615 68.325 68.868 0.119 0.000 0.891 114 T HN 0.512 nan 8.240 nan 0.000 0.492 115 G N 0.254 109.285 108.800 0.385 0.000 2.850 115 G HA2 0.371 4.331 3.960 -0.000 0.000 0.211 115 G HA3 0.371 4.331 3.960 -0.000 0.000 0.211 115 G C 0.451 175.406 174.900 0.091 0.000 1.124 115 G CA -0.600 44.696 45.100 0.327 0.000 0.769 115 G HN 0.420 nan 8.290 nan 0.000 0.535 116 M N 1.485 121.201 119.600 0.193 0.000 2.250 116 M HA 0.101 4.581 4.480 -0.000 0.000 0.337 116 M C 0.540 176.853 176.300 0.022 0.000 1.161 116 M CA 0.318 55.669 55.300 0.087 0.000 1.088 116 M CB 0.282 32.943 32.600 0.102 0.000 1.639 116 M HN 0.162 nan 8.290 nan 0.000 0.447 117 N N 0.705 119.399 118.700 -0.010 0.000 2.800 117 N HA -0.173 4.567 4.740 -0.000 0.000 0.250 117 N C 0.002 175.493 175.510 -0.032 0.000 1.078 117 N CA 0.918 53.957 53.050 -0.018 0.000 0.804 117 N CB -0.771 37.716 38.487 -0.000 0.000 1.135 117 N HN 0.634 nan 8.380 nan 0.000 0.565 118 M N 0.152 119.714 119.600 -0.062 0.000 2.428 118 M HA 0.067 4.547 4.480 -0.000 0.000 0.239 118 M C -0.142 176.105 176.300 -0.088 0.000 1.121 118 M CA 0.366 55.623 55.300 -0.071 0.000 1.019 118 M CB -0.506 32.042 32.600 -0.086 0.000 1.485 118 M HN -0.017 nan 8.290 nan 0.000 0.484 119 D N 1.768 122.109 120.400 -0.099 0.000 2.697 119 D HA -0.142 4.498 4.640 -0.000 0.000 0.238 119 D C 0.470 176.699 176.300 -0.117 0.000 1.152 119 D CA 0.902 54.845 54.000 -0.094 0.000 0.666 119 D CB -1.021 39.745 40.800 -0.057 0.000 1.037 119 D HN 0.303 nan 8.370 nan 0.000 0.423 120 T N -1.046 113.383 114.554 -0.209 0.000 2.867 120 T HA 0.406 4.756 4.350 -0.000 0.000 0.286 120 T C 0.082 174.702 174.700 -0.134 0.000 1.022 120 T CA -0.675 61.287 62.100 -0.230 0.000 0.933 120 T CB 0.547 69.112 68.868 -0.505 0.000 1.280 120 T HN 0.099 nan 8.240 nan 0.000 0.566 121 F N 1.895 121.733 119.950 -0.187 0.000 2.578 121 F HA 0.191 4.718 4.527 0.000 0.000 0.381 121 F C 1.358 177.133 175.800 -0.042 0.000 1.069 121 F CA 0.556 58.512 58.000 -0.073 0.000 1.231 121 F CB -0.163 38.834 39.000 -0.005 0.000 1.086 121 F HN 0.860 nan 8.300 nan 0.000 0.564 122 Q N 1.950 121.324 119.800 -0.709 0.000 2.480 122 Q HA -0.289 4.051 4.340 -0.000 0.000 0.265 122 Q C -0.634 175.232 176.000 -0.224 0.000 1.072 122 Q CA 1.149 56.608 55.803 -0.573 0.000 1.018 122 Q CB -0.800 27.475 28.738 -0.772 0.000 1.433 122 Q HN 0.745 nan 8.270 nan 0.000 0.513 123 E N 1.045 121.139 120.200 -0.177 0.000 2.158 123 E HA 0.512 4.862 4.350 -0.000 0.000 0.271 123 E C -0.412 176.136 176.600 -0.087 0.000 0.911 123 E CA -0.360 55.976 56.400 -0.107 0.000 0.767 123 E CB 0.846 30.421 29.700 -0.208 0.000 1.120 123 E HN 0.408 nan 8.360 nan 0.000 0.405 124 M N 2.435 122.009 119.600 -0.043 0.000 2.721 124 M HA 0.435 4.915 4.480 -0.000 0.000 0.271 124 M C -0.899 175.397 176.300 -0.006 0.000 1.259 124 M CA -1.086 54.194 55.300 -0.034 0.000 0.835 124 M CB 1.268 33.843 32.600 -0.042 0.000 1.689 124 M HN 0.140 nan 8.290 nan 0.000 0.470 125 N N 1.754 120.450 118.700 -0.007 0.000 2.406 125 N HA 0.085 4.825 4.740 -0.000 0.000 0.274 125 N C -0.008 175.513 175.510 0.019 0.000 1.249 125 N CA 0.560 53.614 53.050 0.006 0.000 0.951 125 N CB 0.328 38.814 38.487 -0.001 0.000 1.241 125 N HN 0.740 nan 8.380 nan 0.000 0.485 126 E N 2.033 122.262 120.200 0.048 0.000 2.385 126 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 126 E C 1.141 177.833 176.600 0.152 0.000 1.013 126 E CA -0.016 56.448 56.400 0.106 0.000 0.866 126 E CB 0.105 29.898 29.700 0.155 0.000 0.832 126 E HN 0.634 nan 8.360 nan 0.000 0.500 127 N N 1.384 120.138 118.700 0.091 0.000 2.069 127 N HA -0.109 4.631 4.740 -0.000 0.000 0.191 127 N C -0.967 174.583 175.510 0.066 0.000 1.031 127 N CA 1.158 54.259 53.050 0.084 0.000 0.852 127 N CB -0.379 38.121 38.487 0.022 0.000 1.018 127 N HN 0.079 nan 8.380 nan 0.000 0.423 128 P HA -0.020 nan 4.420 nan 0.000 0.222 128 P C 1.428 178.690 177.300 -0.062 0.000 1.147 128 P CA 0.725 63.818 63.100 -0.013 0.000 0.790 128 P CB -0.079 31.609 31.700 -0.020 0.000 0.780 129 I N -2.228 118.262 120.570 -0.133 0.000 2.286 129 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 129 I C 1.456 177.260 176.117 -0.521 0.000 1.115 129 I CA 1.707 62.775 61.300 -0.387 0.000 1.392 129 I CB -0.600 37.020 38.000 -0.633 0.000 1.065 129 I HN -0.017 nan 8.210 nan 0.000 0.418 130 Y N -0.082 120.208 120.300 -0.015 0.000 2.467 130 Y HA 0.380 4.930 4.550 -0.000 0.000 0.250 130 Y C 2.235 178.101 175.900 -0.055 0.000 1.155 130 Y CA 0.192 58.267 58.100 -0.042 0.000 1.249 130 Y CB -0.315 38.109 38.460 -0.060 0.000 1.146 130 Y HN -0.006 nan 8.280 nan 0.000 0.524 131 A N 0.275 123.119 122.820 0.041 0.000 1.933 131 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 131 A C 1.806 179.397 177.584 0.011 0.000 1.175 131 A CA 2.316 54.365 52.037 0.021 0.000 0.628 131 A CB -0.563 18.442 19.000 0.010 0.000 0.814 131 A HN 0.457 nan 8.150 nan 0.000 0.444 132 D N -1.252 119.159 120.400 0.018 0.000 2.137 132 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 132 D C 1.691 177.964 176.300 -0.045 0.000 0.970 132 D CA 1.231 55.252 54.000 0.035 0.000 0.837 132 D CB -0.025 40.846 40.800 0.119 0.000 0.981 132 D HN 0.086 nan 8.370 nan 0.000 0.475 133 V N -0.221 119.584 119.914 -0.181 0.000 2.719 133 V HA 0.242 4.362 4.120 -0.000 0.000 0.252 133 V C 0.730 176.672 176.094 -0.253 0.000 1.065 133 V CA 1.010 63.010 62.300 -0.501 0.000 1.086 133 V CB -0.305 30.996 31.823 -0.869 0.000 0.700 133 V HN 0.327 nan 8.190 nan 0.000 0.467 134 A N -0.278 122.478 122.820 -0.108 0.000 2.305 134 A HA 0.382 4.702 4.320 -0.000 0.000 0.322 134 A C 0.752 178.335 177.584 -0.003 0.000 1.187 134 A CA 0.191 52.198 52.037 -0.050 0.000 0.825 134 A CB 0.995 19.986 19.000 -0.015 0.000 1.164 134 A HN 0.452 nan 8.150 nan 0.000 0.498 135 D N 0.213 120.634 120.400 0.034 0.000 2.194 135 D HA -0.062 4.578 4.640 -0.000 0.000 0.204 135 D C -0.193 176.219 176.300 0.186 0.000 0.964 135 D CA 1.375 55.434 54.000 0.099 0.000 0.846 135 D CB 0.036 40.918 40.800 0.136 0.000 0.962 135 D HN 0.480 nan 8.370 nan 0.000 0.490 136 Y N 0.039 120.338 120.300 -0.002 0.000 2.421 136 Y HA 0.499 5.049 4.550 -0.000 0.000 0.339 136 Y C -1.671 174.211 175.900 -0.030 0.000 0.996 136 Y CA -1.488 56.607 58.100 -0.009 0.000 1.046 136 Y CB 1.436 39.880 38.460 -0.026 0.000 1.226 136 Y HN -0.168 nan 8.280 nan 0.000 0.445 137 N N 4.939 123.398 118.700 -0.402 0.000 2.664 137 N HA 0.498 5.238 4.740 -0.000 0.000 0.268 137 N C -2.330 172.959 175.510 -0.368 0.000 1.222 137 N CA -0.368 52.506 53.050 -0.292 0.000 0.805 137 N CB 1.122 39.552 38.487 -0.095 0.000 1.399 137 N HN 0.522 nan 8.380 nan 0.000 0.547 138 V N -0.019 119.640 119.914 -0.424 0.000 2.925 138 V HA 0.727 4.847 4.120 -0.000 0.000 0.311 138 V C -0.161 175.820 176.094 -0.187 0.000 1.104 138 V CA -0.681 61.420 62.300 -0.332 0.000 0.954 138 V CB 1.611 33.154 31.823 -0.467 0.000 1.022 138 V HN 0.394 nan 8.190 nan 0.000 0.427 139 T N 3.775 118.261 114.554 -0.112 0.000 2.744 139 T HA 0.693 5.043 4.350 -0.000 0.000 0.291 139 T C 0.437 175.105 174.700 -0.054 0.000 0.957 139 T CA 0.386 62.444 62.100 -0.069 0.000 1.002 139 T CB 1.054 69.902 68.868 -0.033 0.000 0.919 139 T HN 1.403 nan 8.240 nan 0.000 0.468 140 A N 2.614 125.403 122.820 -0.052 0.000 2.477 140 A HA 0.438 4.758 4.320 -0.000 0.000 0.246 140 A C 1.213 178.787 177.584 -0.017 0.000 1.078 140 A CA -0.447 51.572 52.037 -0.031 0.000 0.770 140 A CB 0.057 19.031 19.000 -0.043 0.000 1.011 140 A HN 1.061 nan 8.150 nan 0.000 0.494 141 V N -0.252 119.662 119.914 -0.001 0.000 3.337 141 V HA 0.383 4.503 4.120 -0.000 0.000 0.307 141 V C 0.040 176.141 176.094 0.012 0.000 1.505 141 V CA 0.118 62.422 62.300 0.007 0.000 1.072 141 V CB -0.783 31.048 31.823 0.012 0.000 0.929 141 V HN 0.830 nan 8.190 nan 0.000 0.455 142 N N 0.059 118.766 118.700 0.011 0.000 2.324 142 N HA 0.573 5.313 4.740 -0.000 0.000 0.285 142 N C 0.676 176.192 175.510 0.009 0.000 1.076 142 N CA 0.432 53.492 53.050 0.017 0.000 0.864 142 N CB 2.597 41.101 38.487 0.028 0.000 1.632 142 N HN 0.094 nan 8.380 nan 0.000 0.478 143 A N 2.812 125.637 122.820 0.008 0.000 1.897 143 A HA 0.089 4.409 4.320 -0.000 0.000 0.215 143 A C 1.958 179.546 177.584 0.008 0.000 1.181 143 A CA 1.832 53.867 52.037 -0.004 0.000 0.620 143 A CB -0.653 18.347 19.000 0.001 0.000 0.821 143 A HN 0.746 nan 8.150 nan 0.000 0.443 144 A N -0.290 122.549 122.820 0.032 0.000 1.969 144 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 144 A C 2.255 179.885 177.584 0.076 0.000 1.169 144 A CA 2.181 54.252 52.037 0.057 0.000 0.635 144 A CB -1.026 18.011 19.000 0.062 0.000 0.810 144 A HN 0.744 nan 8.150 nan 0.000 0.445 145 T N -2.955 111.639 114.554 0.068 0.000 3.107 145 T HA 0.125 4.475 4.350 -0.000 0.000 0.249 145 T C 1.531 176.292 174.700 0.102 0.000 1.096 145 T CA 0.693 62.853 62.100 0.101 0.000 1.012 145 T CB -0.174 68.751 68.868 0.095 0.000 0.977 145 T HN 0.123 nan 8.240 nan 0.000 0.527 146 L N 2.508 123.755 121.223 0.039 0.000 2.012 146 L HA 0.143 4.483 4.340 -0.000 0.000 0.210 146 L C -0.898 175.956 176.870 -0.027 0.000 1.073 146 L CA 1.812 56.647 54.840 -0.009 0.000 0.748 146 L CB -1.228 40.796 42.059 -0.059 0.000 0.891 146 L HN 0.115 nan 8.230 nan 0.000 0.431 147 P HA -0.215 nan 4.420 nan 0.000 0.215 147 P C 1.536 178.844 177.300 0.013 0.000 1.153 147 P CA 1.676 64.748 63.100 -0.047 0.000 0.853 147 P CB -0.331 31.352 31.700 -0.028 0.000 0.788 148 H N -0.177 118.888 119.070 -0.008 0.000 2.353 148 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 148 H C 1.669 176.989 175.328 -0.014 0.000 1.090 148 H CA 1.388 57.415 56.048 -0.035 0.000 1.327 148 H CB -0.427 29.329 29.762 -0.010 0.000 1.383 148 H HN -0.123 nan 8.280 nan 0.000 0.508 149 V N 1.799 121.677 119.914 -0.060 0.000 2.332 149 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 149 V C 2.853 178.894 176.094 -0.087 0.000 1.055 149 V CA 1.493 63.769 62.300 -0.041 0.000 1.038 149 V CB -0.495 31.369 31.823 0.068 0.000 0.651 149 V HN 0.385 nan 8.190 nan 0.000 0.450 150 I N 0.384 120.893 120.570 -0.102 0.000 2.252 150 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 150 I C 2.365 178.362 176.117 -0.199 0.000 1.102 150 I CA 2.072 63.294 61.300 -0.130 0.000 1.385 150 I CB -1.337 36.588 38.000 -0.124 0.000 1.064 150 I HN 0.421 nan 8.210 nan 0.000 0.414 151 D N 0.891 121.189 120.400 -0.170 0.000 2.123 151 D HA -0.274 4.366 4.640 -0.000 0.000 0.196 151 D C 2.110 178.250 176.300 -0.266 0.000 0.992 151 D CA 1.510 55.441 54.000 -0.115 0.000 0.833 151 D CB 0.155 40.938 40.800 -0.028 0.000 0.954 151 D HN 0.231 nan 8.370 nan 0.000 0.455 152 E N -0.119 119.831 120.200 -0.417 0.000 2.077 152 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 152 E C 1.874 178.131 176.600 -0.572 0.000 0.989 152 E CA 1.460 57.562 56.400 -0.497 0.000 0.800 152 E CB -0.551 28.788 29.700 -0.601 0.000 0.746 152 E HN 0.315 nan 8.360 nan 0.000 0.452 153 A N 0.479 123.034 122.820 -0.442 0.000 1.883 153 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 153 A C 2.360 179.725 177.584 -0.366 0.000 1.186 153 A CA 1.667 53.520 52.037 -0.306 0.000 0.624 153 A CB -0.746 18.241 19.000 -0.022 0.000 0.822 153 A HN 0.363 nan 8.150 nan 0.000 0.444 154 I N -1.226 119.062 120.570 -0.470 0.000 2.202 154 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 154 I C 2.718 178.472 176.117 -0.606 0.000 1.091 154 I CA 1.709 62.606 61.300 -0.673 0.000 1.368 154 I CB -0.298 37.043 38.000 -1.100 0.000 1.058 154 I HN 0.372 nan 8.210 nan 0.000 0.410 155 R N 1.096 121.282 120.500 -0.523 0.000 2.081 155 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 155 R C 2.458 178.643 176.300 -0.192 0.000 1.131 155 R CA 1.430 57.404 56.100 -0.210 0.000 0.960 155 R CB -0.080 30.208 30.300 -0.019 0.000 0.856 155 R HN 0.248 nan 8.270 nan 0.000 0.436 156 R N -0.283 120.011 120.500 -0.344 0.000 2.075 156 R HA -0.023 4.317 4.340 -0.000 0.000 0.232 156 R C 2.349 178.448 176.300 -0.335 0.000 1.126 156 R CA 1.164 56.989 56.100 -0.458 0.000 0.963 156 R CB -0.288 29.751 30.300 -0.435 0.000 0.858 156 R HN 0.265 nan 8.270 nan 0.000 0.435 157 A N 0.549 123.221 122.820 -0.247 0.000 1.902 157 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 157 A C 1.786 179.285 177.584 -0.142 0.000 1.181 157 A CA 1.239 53.160 52.037 -0.193 0.000 0.623 157 A CB -0.661 18.164 19.000 -0.292 0.000 0.818 157 A HN 0.255 nan 8.150 nan 0.000 0.443 158 Y N -0.170 120.045 120.300 -0.142 0.000 2.089 158 Y HA -0.112 4.438 4.550 -0.000 0.000 0.282 158 Y C 3.020 178.928 175.900 0.014 0.000 1.139 158 Y CA 0.964 59.054 58.100 -0.016 0.000 1.123 158 Y CB -0.915 37.595 38.460 0.083 0.000 0.980 158 Y HN 0.315 nan 8.280 nan 0.000 0.493 159 A N -0.838 122.042 122.820 0.099 0.000 1.940 159 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 159 A C 1.494 179.127 177.584 0.082 0.000 1.176 159 A CA 2.159 54.192 52.037 -0.007 0.000 0.631 159 A CB -1.012 17.856 19.000 -0.219 0.000 0.814 159 A HN 0.732 nan 8.150 nan 0.000 0.446 160 H N -1.743 117.365 119.070 0.063 0.000 2.652 160 H HA 0.165 4.721 4.556 -0.000 0.000 0.274 160 H C -0.328 175.028 175.328 0.047 0.000 1.021 160 H CA -0.261 55.811 56.048 0.041 0.000 1.187 160 H CB 0.402 30.177 29.762 0.022 0.000 1.505 160 H HN 0.320 nan 8.280 nan 0.000 0.530 161 Q N 0.710 120.603 119.800 0.154 0.000 2.443 161 Q HA -0.147 4.193 4.340 -0.000 0.000 0.337 161 Q C 0.258 176.316 176.000 0.098 0.000 1.401 161 Q CA 1.035 56.915 55.803 0.129 0.000 0.943 161 Q CB -1.472 27.369 28.738 0.172 0.000 1.177 161 Q HN 0.826 nan 8.270 nan 0.000 0.394 162 G N -2.040 106.785 108.800 0.040 0.000 2.731 162 G HA2 0.570 4.530 3.960 -0.000 0.000 0.309 162 G HA3 0.570 4.530 3.960 -0.000 0.000 0.309 162 G C -1.099 173.773 174.900 -0.047 0.000 1.273 162 G CA -0.301 44.804 45.100 0.008 0.000 0.798 162 G HN 0.091 nan 8.290 nan 0.000 0.509 163 V N 0.928 120.807 119.914 -0.058 0.000 2.439 163 V HA 0.648 4.768 4.120 -0.000 0.000 0.282 163 V C 0.503 176.571 176.094 -0.043 0.000 1.039 163 V CA -0.131 62.119 62.300 -0.083 0.000 0.913 163 V CB 0.862 32.614 31.823 -0.120 0.000 0.983 163 V HN 1.138 nan 8.190 nan 0.000 0.460 164 A N 5.095 127.883 122.820 -0.054 0.000 2.318 164 A HA 0.853 5.173 4.320 -0.000 0.000 0.324 164 A C -0.844 176.711 177.584 -0.049 0.000 1.170 164 A CA -0.512 51.532 52.037 0.013 0.000 0.810 164 A CB 1.476 20.495 19.000 0.032 0.000 1.198 164 A HN 0.648 nan 8.150 nan 0.000 0.484 165 V N 2.759 122.630 119.914 -0.072 0.000 2.540 165 V HA 0.528 4.648 4.120 -0.000 0.000 0.302 165 V C -0.622 175.357 176.094 -0.192 0.000 1.035 165 V CA -0.513 61.677 62.300 -0.182 0.000 0.873 165 V CB 1.712 33.376 31.823 -0.266 0.000 0.992 165 V HN 0.658 nan 8.190 nan 0.000 0.428 166 V N 4.517 124.319 119.914 -0.188 0.000 2.443 166 V HA 0.425 4.545 4.120 -0.000 0.000 0.293 166 V C -0.479 175.511 176.094 -0.174 0.000 1.021 166 V CA -0.750 61.453 62.300 -0.163 0.000 0.848 166 V CB 1.712 33.472 31.823 -0.103 0.000 0.998 166 V HN 0.949 nan 8.190 nan 0.000 0.424 167 Q N 4.458 124.164 119.800 -0.157 0.000 2.279 167 Q HA 0.629 4.969 4.340 -0.000 0.000 0.256 167 Q C -0.737 175.207 176.000 -0.093 0.000 0.937 167 Q CA 0.227 55.958 55.803 -0.120 0.000 0.933 167 Q CB 1.698 30.393 28.738 -0.072 0.000 1.189 167 Q HN 0.690 nan 8.270 nan 0.000 0.417 168 I N 4.763 125.275 120.570 -0.096 0.000 2.420 168 I HA 0.322 4.492 4.170 -0.000 0.000 0.282 168 I C -2.312 173.748 176.117 -0.094 0.000 1.019 168 I CA -2.568 58.670 61.300 -0.105 0.000 1.130 168 I CB 1.657 39.568 38.000 -0.148 0.000 1.262 168 I HN 0.338 nan 8.210 nan 0.000 0.454 169 P HA -0.055 nan 4.420 nan 0.000 0.264 169 P C 0.903 178.139 177.300 -0.107 0.000 1.193 169 P CA 0.175 63.245 63.100 -0.050 0.000 0.763 169 P CB 1.076 32.768 31.700 -0.014 0.000 0.810 170 V N 3.541 123.372 119.914 -0.138 0.000 2.759 170 V HA -0.207 3.913 4.120 -0.000 0.000 0.256 170 V C 1.583 177.569 176.094 -0.181 0.000 1.080 170 V CA 2.367 64.534 62.300 -0.222 0.000 1.101 170 V CB -0.912 30.778 31.823 -0.222 0.000 0.698 170 V HN 0.613 nan 8.190 nan 0.000 0.477 171 D N -0.173 120.188 120.400 -0.065 0.000 2.144 171 D HA -0.231 4.409 4.640 -0.000 0.000 0.199 171 D C 2.032 178.345 176.300 0.022 0.000 0.984 171 D CA 1.623 55.651 54.000 0.047 0.000 0.834 171 D CB -0.653 40.170 40.800 0.039 0.000 0.955 171 D HN 0.497 nan 8.370 nan 0.000 0.465 172 L N 0.438 121.631 121.223 -0.049 0.000 2.012 172 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 172 L C -0.302 176.517 176.870 -0.084 0.000 1.073 172 L CA 1.395 56.205 54.840 -0.051 0.000 0.748 172 L CB -1.832 40.188 42.059 -0.064 0.000 0.891 172 L HN 0.110 nan 8.230 nan 0.000 0.431 173 P HA -0.149 nan 4.420 nan 0.000 0.230 173 P C 0.987 178.175 177.300 -0.186 0.000 1.158 173 P CA 1.031 63.980 63.100 -0.252 0.000 0.769 173 P CB -0.040 31.412 31.700 -0.414 0.000 0.807 174 W N -0.015 121.232 121.300 -0.088 0.000 3.290 174 W HA 0.223 4.883 4.660 0.000 0.000 0.287 174 W C 0.358 176.842 176.519 -0.059 0.000 1.288 174 W CA 0.109 57.409 57.345 -0.075 0.000 1.725 174 W CB -0.525 28.890 29.460 -0.074 0.000 1.103 174 W HN 0.120 nan 8.180 nan 0.000 0.670 175 Q N 1.136 121.016 119.800 0.134 0.000 2.261 175 Q HA 0.120 4.460 4.340 -0.000 0.000 0.252 175 Q C 0.409 176.440 176.000 0.050 0.000 0.915 175 Q CA -0.259 55.590 55.803 0.077 0.000 0.915 175 Q CB 1.122 29.889 28.738 0.048 0.000 1.204 175 Q HN -0.191 nan 8.270 nan 0.000 0.421 176 Q N 2.427 122.255 119.800 0.046 0.000 2.332 176 Q HA 0.296 4.636 4.340 -0.000 0.000 0.263 176 Q C -0.147 175.876 176.000 0.038 0.000 0.979 176 Q CA 0.287 56.113 55.803 0.038 0.000 0.885 176 Q CB 0.520 29.280 28.738 0.036 0.000 1.218 176 Q HN 0.592 nan 8.270 nan 0.000 0.405 177 I N -1.481 119.115 120.570 0.045 0.000 2.934 177 I HA 0.620 4.790 4.170 -0.000 0.000 0.306 177 I C -2.696 173.479 176.117 0.097 0.000 1.110 177 I CA -3.211 58.127 61.300 0.064 0.000 1.019 177 I CB 2.471 40.508 38.000 0.061 0.000 1.227 177 I HN 0.201 nan 8.210 nan 0.000 0.434 178 P HA 0.102 nan 4.420 nan 0.000 0.267 178 P C 0.320 177.731 177.300 0.184 0.000 1.205 178 P CA 0.049 63.218 63.100 0.116 0.000 0.765 178 P CB 1.162 32.919 31.700 0.094 0.000 0.828 179 A N 4.401 127.318 122.820 0.163 0.000 2.015 179 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 179 A C 1.655 179.339 177.584 0.167 0.000 1.163 179 A CA 1.356 53.529 52.037 0.227 0.000 0.646 179 A CB -0.679 18.413 19.000 0.153 0.000 0.806 179 A HN 0.613 nan 8.150 nan 0.000 0.448 180 E N -0.366 119.878 120.200 0.074 0.000 2.472 180 E HA -0.032 4.318 4.350 -0.000 0.000 0.196 180 E C 0.097 176.662 176.600 -0.059 0.000 1.033 180 E CA 0.705 57.087 56.400 -0.029 0.000 0.886 180 E CB -0.286 29.403 29.700 -0.019 0.000 0.944 180 E HN 0.440 nan 8.360 nan 0.000 0.492 181 D N 0.805 121.230 120.400 0.041 0.000 2.216 181 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 181 D C 0.801 177.181 176.300 0.134 0.000 0.960 181 D CA 0.337 54.385 54.000 0.079 0.000 0.861 181 D CB -0.322 40.553 40.800 0.125 0.000 0.985 181 D HN 0.375 nan 8.370 nan 0.000 0.493 182 W N 2.023 123.396 121.300 0.120 0.000 2.184 182 W HA 0.385 5.045 4.660 -0.000 0.000 0.338 182 W C -0.611 176.038 176.519 0.217 0.000 1.257 182 W CA -0.719 56.706 57.345 0.134 0.000 1.243 182 W CB -0.243 29.254 29.460 0.062 0.000 1.122 182 W HN -0.048 nan 8.180 nan 0.000 0.585 183 Y N 0.081 120.469 120.300 0.146 0.000 2.670 183 Y HA 0.760 5.310 4.550 -0.000 0.000 0.334 183 Y C -1.531 174.544 175.900 0.290 0.000 1.185 183 Y CA -1.873 56.174 58.100 -0.088 0.000 1.053 183 Y CB 0.513 38.889 38.460 -0.139 0.000 1.298 183 Y HN 0.732 nan 8.280 nan 0.000 0.459 184 A N 0.695 123.638 122.820 0.205 0.000 2.340 184 A HA 0.570 4.890 4.320 -0.000 0.000 0.331 184 A C 0.240 177.913 177.584 0.148 0.000 1.140 184 A CA -0.323 51.808 52.037 0.156 0.000 0.801 184 A CB 0.798 19.902 19.000 0.174 0.000 1.234 184 A HN 1.265 nan 8.150 nan 0.000 0.469 185 S N 1.082 116.869 115.700 0.145 0.000 2.597 185 S HA 0.285 4.755 4.470 -0.000 0.000 0.224 185 S C 1.405 175.826 174.600 -0.298 0.000 0.955 185 S CA 0.516 58.805 58.200 0.149 0.000 0.933 185 S CB -0.041 63.354 63.200 0.326 0.000 0.788 185 S HN 1.268 nan 8.310 nan 0.000 0.488 186 A N 4.203 126.424 122.820 -0.998 0.000 1.948 186 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 186 A C 2.258 179.439 177.584 -0.672 0.000 1.177 186 A CA 1.846 52.869 52.037 -1.691 0.000 0.636 186 A CB -0.978 17.039 19.000 -1.638 0.000 0.815 186 A HN 0.824 nan 8.150 nan 0.000 0.449 187 N N -0.124 118.356 118.700 -0.366 0.000 2.289 187 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 187 N C 1.194 176.637 175.510 -0.113 0.000 1.016 187 N CA 1.782 54.721 53.050 -0.185 0.000 0.872 187 N CB -0.507 37.906 38.487 -0.123 0.000 0.973 187 N HN 0.334 nan 8.380 nan 0.000 0.433 188 S N -0.695 114.950 115.700 -0.092 0.000 2.535 188 S HA 0.027 4.497 4.470 -0.000 0.000 0.214 188 S C 0.085 174.687 174.600 0.003 0.000 0.980 188 S CA -0.690 57.494 58.200 -0.026 0.000 0.907 188 S CB -0.384 62.828 63.200 0.020 0.000 0.790 188 S HN 0.484 nan 8.310 nan 0.000 0.510 189 Y N 3.979 124.193 120.300 -0.143 0.000 2.811 189 Y HA 0.069 4.619 4.550 -0.000 0.000 0.334 189 Y C 0.193 176.051 175.900 -0.070 0.000 1.247 189 Y CA 0.452 58.507 58.100 -0.076 0.000 1.526 189 Y CB 0.288 38.664 38.460 -0.140 0.000 1.284 189 Y HN 0.094 nan 8.280 nan 0.000 0.586 190 Q N 3.575 122.876 119.800 -0.832 0.000 2.416 190 Q HA 0.277 4.617 4.340 -0.000 0.000 0.281 190 Q C -0.621 174.823 176.000 -0.927 0.000 1.067 190 Q CA -0.723 54.613 55.803 -0.778 0.000 0.809 190 Q CB 1.839 30.383 28.738 -0.322 0.000 1.418 190 Q HN 0.810 nan 8.270 nan 0.000 0.411 191 T N -1.553 112.645 114.554 -0.593 0.000 2.882 191 T HA 0.603 4.953 4.350 -0.000 0.000 0.287 191 T C -2.086 172.518 174.700 -0.161 0.000 1.014 191 T CA -1.305 60.618 62.100 -0.296 0.000 1.049 191 T CB 0.086 68.891 68.868 -0.105 0.000 1.001 191 T HN 0.191 nan 8.240 nan 0.000 0.525 192 P HA 0.224 nan 4.420 nan 0.000 0.269 192 P C -0.177 177.102 177.300 -0.035 0.000 1.209 192 P CA -0.509 62.566 63.100 -0.041 0.000 0.776 192 P CB 0.237 31.938 31.700 0.001 0.000 0.876 193 L N 2.092 123.296 121.223 -0.031 0.000 2.525 193 L HA 0.007 4.347 4.340 -0.000 0.000 0.278 193 L C 0.455 177.317 176.870 -0.013 0.000 1.218 193 L CA 0.091 54.916 54.840 -0.024 0.000 0.878 193 L CB -0.340 41.706 42.059 -0.020 0.000 1.127 193 L HN 0.229 nan 8.230 nan 0.000 0.492 194 L N 5.348 126.564 121.223 -0.012 0.000 2.261 194 L HA 0.330 4.670 4.340 -0.000 0.000 0.289 194 L C -1.943 174.923 176.870 -0.006 0.000 1.059 194 L CA -1.953 52.883 54.840 -0.007 0.000 0.816 194 L CB 0.531 42.587 42.059 -0.006 0.000 1.191 194 L HN 0.382 nan 8.230 nan 0.000 0.431 195 P HA 0.092 nan 4.420 nan 0.000 0.269 195 P C -0.689 176.608 177.300 -0.004 0.000 1.215 195 P CA -0.253 62.846 63.100 -0.003 0.000 0.780 195 P CB 0.619 32.319 31.700 0.001 0.000 0.898 196 E N 2.391 122.589 120.200 -0.004 0.000 2.214 196 E HA 0.315 4.665 4.350 -0.000 0.000 0.274 196 E C -2.170 174.427 176.600 -0.004 0.000 0.977 196 E CA -1.914 54.483 56.400 -0.005 0.000 0.827 196 E CB 0.359 30.055 29.700 -0.006 0.000 1.130 196 E HN 0.367 nan 8.360 nan 0.000 0.394 197 P HA 0.100 nan 4.420 nan 0.000 0.281 197 P C -0.507 176.790 177.300 -0.006 0.000 1.252 197 P CA -0.301 62.796 63.100 -0.005 0.000 0.778 197 P CB 0.502 32.198 31.700 -0.007 0.000 0.895 198 D N 1.863 122.261 120.400 -0.004 0.000 2.450 198 D HA -0.019 4.621 4.640 -0.000 0.000 0.247 198 D C 1.519 177.814 176.300 -0.007 0.000 1.162 198 D CA -0.236 53.761 54.000 -0.005 0.000 0.879 198 D CB 0.818 41.616 40.800 -0.003 0.000 1.163 198 D HN 0.145 nan 8.370 nan 0.000 0.472 199 V N 2.017 121.926 119.914 -0.008 0.000 2.343 199 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 199 V C 1.814 177.901 176.094 -0.011 0.000 1.051 199 V CA 1.536 63.830 62.300 -0.010 0.000 1.036 199 V CB -1.066 30.751 31.823 -0.010 0.000 0.654 199 V HN 0.573 nan 8.190 nan 0.000 0.451 200 Q N 1.322 121.116 119.800 -0.011 0.000 2.079 200 Q HA 0.065 4.405 4.340 -0.000 0.000 0.200 200 Q C 2.496 178.488 176.000 -0.014 0.000 0.974 200 Q CA 2.096 57.892 55.803 -0.013 0.000 0.840 200 Q CB -0.753 27.979 28.738 -0.011 0.000 0.898 200 Q HN 0.745 nan 8.270 nan 0.000 0.430 201 A N 0.301 123.114 122.820 -0.012 0.000 1.883 201 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 201 A C 2.352 179.926 177.584 -0.015 0.000 1.186 201 A CA 1.631 53.660 52.037 -0.012 0.000 0.624 201 A CB -0.912 18.084 19.000 -0.006 0.000 0.822 201 A HN 0.231 nan 8.150 nan 0.000 0.444 202 V N -0.253 119.653 119.914 -0.014 0.000 2.407 202 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 202 V C 2.721 178.803 176.094 -0.019 0.000 1.055 202 V CA 2.451 64.742 62.300 -0.015 0.000 1.049 202 V CB -1.297 30.518 31.823 -0.013 0.000 0.662 202 V HN 0.619 nan 8.190 nan 0.000 0.455 203 T N -0.236 114.306 114.554 -0.019 0.000 2.746 203 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 203 T C 2.062 176.744 174.700 -0.029 0.000 1.039 203 T CA 1.497 63.584 62.100 -0.022 0.000 1.142 203 T CB -0.234 68.622 68.868 -0.020 0.000 0.866 203 T HN 0.454 nan 8.240 nan 0.000 0.444 204 R N 0.511 120.992 120.500 -0.032 0.000 2.081 204 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 204 R C 2.528 178.796 176.300 -0.053 0.000 1.131 204 R CA 1.059 57.132 56.100 -0.045 0.000 0.960 204 R CB -0.668 29.606 30.300 -0.044 0.000 0.856 204 R HN 0.333 nan 8.270 nan 0.000 0.436 205 L N 0.723 121.922 121.223 -0.041 0.000 2.017 205 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 205 L C 1.951 178.800 176.870 -0.035 0.000 1.073 205 L CA 1.725 56.542 54.840 -0.039 0.000 0.745 205 L CB -0.434 41.610 42.059 -0.025 0.000 0.894 205 L HN 0.170 nan 8.230 nan 0.000 0.432 206 T N 0.009 114.546 114.554 -0.028 0.000 2.720 206 T HA -0.285 4.065 4.350 -0.000 0.000 0.268 206 T C 1.745 176.428 174.700 -0.028 0.000 1.037 206 T CA 1.871 63.957 62.100 -0.023 0.000 1.144 206 T CB -0.354 68.501 68.868 -0.021 0.000 0.864 206 T HN 0.637 nan 8.240 nan 0.000 0.444 207 Q N 0.809 120.587 119.800 -0.037 0.000 2.084 207 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 207 Q C 2.059 178.027 176.000 -0.054 0.000 0.978 207 Q CA 1.755 57.533 55.803 -0.042 0.000 0.844 207 Q CB -0.972 27.740 28.738 -0.044 0.000 0.898 207 Q HN 0.375 nan 8.270 nan 0.000 0.426 208 T N 1.888 116.393 114.554 -0.081 0.000 2.746 208 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 208 T C 1.789 176.466 174.700 -0.037 0.000 1.039 208 T CA 1.266 63.300 62.100 -0.110 0.000 1.142 208 T CB -0.256 68.497 68.868 -0.192 0.000 0.866 208 T HN 0.220 nan 8.240 nan 0.000 0.444 209 L N 0.890 122.101 121.223 -0.020 0.000 2.046 209 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 209 L C 2.148 179.024 176.870 0.010 0.000 1.077 209 L CA 1.557 56.402 54.840 0.009 0.000 0.747 209 L CB -0.617 41.449 42.059 0.012 0.000 0.896 209 L HN 0.244 nan 8.230 nan 0.000 0.432 210 L N -0.775 120.446 121.223 -0.004 0.000 2.141 210 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 210 L C 2.510 179.380 176.870 -0.001 0.000 1.094 210 L CA 0.994 55.831 54.840 -0.004 0.000 0.763 210 L CB -0.815 41.236 42.059 -0.013 0.000 0.908 210 L HN 0.379 nan 8.230 nan 0.000 0.437 211 A N 0.184 123.003 122.820 -0.002 0.000 2.119 211 A HA 0.183 4.503 4.320 -0.000 0.000 0.217 211 A C 1.405 179.001 177.584 0.019 0.000 1.153 211 A CA 0.616 52.657 52.037 0.007 0.000 0.692 211 A CB -0.454 18.548 19.000 0.004 0.000 0.799 211 A HN 0.302 nan 8.150 nan 0.000 0.458 212 A N 0.223 123.055 122.820 0.020 0.000 2.531 212 A HA 0.293 4.613 4.320 -0.000 0.000 0.236 212 A C 1.019 178.571 177.584 -0.054 0.000 1.062 212 A CA 0.075 52.111 52.037 -0.001 0.000 0.760 212 A CB 0.260 19.257 19.000 -0.005 0.000 0.995 212 A HN 0.409 nan 8.150 nan 0.000 0.501 213 E N 1.516 121.651 120.200 -0.109 0.000 2.122 213 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 213 E C 0.279 176.662 176.600 -0.361 0.000 0.977 213 E CA 0.883 57.194 56.400 -0.149 0.000 0.820 213 E CB 0.139 29.765 29.700 -0.125 0.000 0.770 213 E HN 0.700 nan 8.360 nan 0.000 0.462 214 R N 1.178 121.310 120.500 -0.612 0.000 2.681 214 R HA 0.244 4.584 4.340 -0.000 0.000 0.277 214 R C -2.505 173.278 176.300 -0.862 0.000 1.563 214 R CA -1.356 53.830 56.100 -1.525 0.000 1.673 214 R CB 1.423 30.650 30.300 -1.788 0.000 1.258 214 R HN 0.039 nan 8.270 nan 0.000 0.650 215 P HA 0.202 nan 4.420 nan 0.000 0.277 215 P C -0.565 176.945 177.300 0.350 0.000 1.240 215 P CA -0.149 62.992 63.100 0.067 0.000 0.798 215 P CB 1.526 33.295 31.700 0.115 0.000 0.979 216 L N 2.120 123.505 121.223 0.270 0.000 2.409 216 L HA 0.531 4.871 4.340 -0.000 0.000 0.262 216 L C 0.018 177.036 176.870 0.247 0.000 0.992 216 L CA -0.985 54.034 54.840 0.299 0.000 0.817 216 L CB 2.252 44.474 42.059 0.271 0.000 1.350 216 L HN 0.239 nan 8.230 nan 0.000 0.411 217 I N 2.470 123.203 120.570 0.271 0.000 2.339 217 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 217 I C -1.332 175.020 176.117 0.392 0.000 0.994 217 I CA -0.535 60.940 61.300 0.292 0.000 1.191 217 I CB 1.320 39.484 38.000 0.273 0.000 1.343 217 I HN 0.391 nan 8.210 nan 0.000 0.458 218 Y N 9.455 129.880 120.300 0.208 0.000 2.447 218 Y HA 0.408 4.958 4.550 -0.000 0.000 0.325 218 Y C -1.237 174.707 175.900 0.073 0.000 0.976 218 Y CA -1.790 56.392 58.100 0.137 0.000 1.280 218 Y CB 0.552 39.157 38.460 0.243 0.000 1.104 218 Y HN 0.464 nan 8.280 nan 0.000 0.486 219 Y N 2.854 123.281 120.300 0.213 0.000 2.487 219 Y HA 0.975 5.525 4.550 -0.000 0.000 0.337 219 Y C 0.109 175.987 175.900 -0.036 0.000 1.076 219 Y CA -1.191 56.904 58.100 -0.008 0.000 1.115 219 Y CB 1.310 39.799 38.460 0.048 0.000 1.235 219 Y HN 0.573 nan 8.280 nan 0.000 0.468 220 G N 1.069 109.876 108.800 0.010 0.000 3.107 220 G HA2 0.379 4.339 3.960 -0.000 0.000 0.232 220 G HA3 0.379 4.339 3.960 -0.000 0.000 0.232 220 G C 0.319 175.299 174.900 0.132 0.000 1.339 220 G CA -0.737 44.377 45.100 0.024 0.000 1.033 220 G HN 1.101 nan 8.290 nan 0.000 0.567 221 I N -1.562 119.062 120.570 0.090 0.000 3.001 221 I HA 0.137 4.307 4.170 -0.000 0.000 0.268 221 I C 2.058 178.219 176.117 0.074 0.000 1.267 221 I CA 1.008 62.361 61.300 0.089 0.000 1.472 221 I CB -0.246 37.788 38.000 0.057 0.000 1.089 221 I HN 0.407 nan 8.210 nan 0.000 0.468 222 G N 1.396 110.228 108.800 0.053 0.000 2.462 222 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.220 222 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.220 222 G C 1.454 176.368 174.900 0.024 0.000 1.121 222 G CA 0.627 45.743 45.100 0.028 0.000 0.758 222 G HN 0.617 nan 8.290 nan 0.000 0.559 223 A N -0.214 122.632 122.820 0.043 0.000 2.415 223 A HA 0.426 4.746 4.320 -0.000 0.000 0.248 223 A C 1.902 179.478 177.584 -0.014 0.000 1.299 223 A CA 0.343 52.383 52.037 0.005 0.000 0.899 223 A CB -0.301 18.694 19.000 -0.008 0.000 0.997 223 A HN 0.309 nan 8.150 nan 0.000 0.506 224 R N 0.607 121.121 120.500 0.024 0.000 2.140 224 R HA -0.194 4.146 4.340 -0.000 0.000 0.250 224 R C 1.228 177.525 176.300 -0.005 0.000 1.150 224 R CA 2.086 58.199 56.100 0.021 0.000 0.966 224 R CB -0.118 30.203 30.300 0.035 0.000 0.869 224 R HN 0.450 nan 8.270 nan 0.000 0.445 225 K N -1.419 118.975 120.400 -0.010 0.000 2.404 225 K HA 0.113 4.433 4.320 -0.000 0.000 0.194 225 K C 0.456 177.030 176.600 -0.042 0.000 1.023 225 K CA 0.417 56.694 56.287 -0.017 0.000 1.094 225 K CB 0.962 33.459 32.500 -0.006 0.000 0.841 225 K HN 0.147 nan 8.250 nan 0.000 0.523 226 A N 0.213 122.991 122.820 -0.071 0.000 2.594 226 A HA 0.260 4.580 4.320 -0.000 0.000 0.287 226 A C 1.566 179.055 177.584 -0.159 0.000 1.227 226 A CA -0.087 51.889 52.037 -0.102 0.000 0.952 226 A CB 0.065 19.006 19.000 -0.099 0.000 1.161 226 A HN 0.286 nan 8.150 nan 0.000 0.524 227 G N 0.685 109.392 108.800 -0.154 0.000 2.440 227 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 227 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 227 G C 1.604 176.398 174.900 -0.177 0.000 1.154 227 G CA 1.253 46.237 45.100 -0.193 0.000 0.767 227 G HN 0.487 nan 8.290 nan 0.000 0.552 228 K N 0.158 120.482 120.400 -0.126 0.000 2.009 228 K HA -0.133 4.187 4.320 -0.000 0.000 0.210 228 K C 2.584 179.113 176.600 -0.120 0.000 1.049 228 K CA 1.696 57.916 56.287 -0.111 0.000 0.929 228 K CB -0.119 32.336 32.500 -0.075 0.000 0.714 228 K HN 0.229 nan 8.250 nan 0.000 0.440 229 E N 0.882 121.018 120.200 -0.108 0.000 2.085 229 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 229 E C 1.987 178.518 176.600 -0.115 0.000 0.994 229 E CA 1.009 57.351 56.400 -0.096 0.000 0.801 229 E CB -0.126 29.527 29.700 -0.078 0.000 0.743 229 E HN 0.236 nan 8.360 nan 0.000 0.453 230 L N 0.429 121.551 121.223 -0.168 0.000 1.994 230 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 230 L C 2.607 179.382 176.870 -0.159 0.000 1.071 230 L CA 1.613 56.339 54.840 -0.190 0.000 0.745 230 L CB -0.331 41.488 42.059 -0.400 0.000 0.892 230 L HN 0.171 nan 8.230 nan 0.000 0.431 231 E N -0.458 119.597 120.200 -0.241 0.000 2.106 231 E HA -0.285 4.065 4.350 -0.000 0.000 0.192 231 E C 2.188 178.639 176.600 -0.248 0.000 0.984 231 E CA 1.066 57.235 56.400 -0.385 0.000 0.806 231 E CB 0.134 29.534 29.700 -0.500 0.000 0.750 231 E HN 0.281 nan 8.360 nan 0.000 0.458 232 Q N 0.605 120.313 119.800 -0.153 0.000 2.083 232 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 232 Q C 2.120 178.087 176.000 -0.057 0.000 0.969 232 Q CA 1.134 56.884 55.803 -0.088 0.000 0.838 232 Q CB -0.228 28.467 28.738 -0.072 0.000 0.900 232 Q HN 0.357 nan 8.270 nan 0.000 0.436 233 L N -0.290 120.902 121.223 -0.052 0.000 2.012 233 L HA -0.236 4.103 4.340 -0.000 0.000 0.210 233 L C 2.519 179.389 176.870 0.000 0.000 1.073 233 L CA 1.646 56.471 54.840 -0.025 0.000 0.748 233 L CB -0.698 41.353 42.059 -0.013 0.000 0.891 233 L HN 0.295 nan 8.230 nan 0.000 0.431 234 S N -0.277 115.452 115.700 0.048 0.000 2.356 234 S HA -0.224 4.246 4.470 -0.000 0.000 0.223 234 S C 2.002 176.660 174.600 0.097 0.000 1.032 234 S CA 1.543 59.845 58.200 0.170 0.000 1.005 234 S CB -0.028 63.396 63.200 0.373 0.000 0.867 234 S HN 0.320 nan 8.310 nan 0.000 0.449 235 K N -0.103 120.368 120.400 0.118 0.000 2.026 235 K HA -0.044 4.276 4.320 -0.000 0.000 0.208 235 K C 2.351 178.883 176.600 -0.113 0.000 1.048 235 K CA 1.827 58.161 56.287 0.078 0.000 0.929 235 K CB -0.559 32.011 32.500 0.117 0.000 0.713 235 K HN 0.352 nan 8.250 nan 0.000 0.439 236 T N 1.558 116.059 114.554 -0.088 0.000 2.737 236 T HA -0.050 4.300 4.350 -0.000 0.000 0.265 236 T C 1.668 176.272 174.700 -0.160 0.000 1.038 236 T CA 1.045 63.083 62.100 -0.103 0.000 1.144 236 T CB -0.026 68.803 68.868 -0.064 0.000 0.866 236 T HN 0.105 nan 8.240 nan 0.000 0.434 237 L N 0.048 121.172 121.223 -0.165 0.000 2.567 237 L HA 0.209 4.549 4.340 -0.000 0.000 0.225 237 L C 0.217 176.908 176.870 -0.299 0.000 1.119 237 L CA -0.017 54.723 54.840 -0.166 0.000 0.871 237 L CB -0.038 41.976 42.059 -0.074 0.000 1.036 237 L HN 0.083 nan 8.230 nan 0.000 0.459 238 K N 0.956 120.998 120.400 -0.597 0.000 3.162 238 K HA -0.131 4.189 4.320 -0.000 0.000 0.268 238 K C -0.586 175.773 176.600 -0.403 0.000 1.062 238 K CA 0.791 56.302 56.287 -1.293 0.000 0.769 238 K CB -2.267 29.486 32.500 -1.245 0.000 1.274 238 K HN 0.332 nan 8.250 nan 0.000 0.478 239 I N 1.162 121.705 120.570 -0.045 0.000 2.389 239 I HA 0.232 4.402 4.170 -0.000 0.000 0.288 239 I C -2.083 174.310 176.117 0.460 0.000 0.999 239 I CA -2.436 59.040 61.300 0.293 0.000 1.129 239 I CB 1.887 40.010 38.000 0.204 0.000 1.288 239 I HN -0.174 nan 8.210 nan 0.000 0.444 240 P HA 0.198 nan 4.420 nan 0.000 0.269 240 P C -0.892 176.586 177.300 0.297 0.000 1.215 240 P CA -0.104 63.174 63.100 0.296 0.000 0.780 240 P CB 0.614 32.321 31.700 0.012 0.000 0.898 241 L N 2.549 123.959 121.223 0.312 0.000 2.325 241 L HA 0.665 5.005 4.340 -0.000 0.000 0.278 241 L C 0.414 177.394 176.870 0.183 0.000 1.023 241 L CA -0.665 54.411 54.840 0.394 0.000 0.811 241 L CB 1.149 43.602 42.059 0.657 0.000 1.249 241 L HN 0.418 nan 8.230 nan 0.000 0.431 242 M N 1.258 120.923 119.600 0.108 0.000 2.618 242 M HA 0.789 5.269 4.480 -0.000 0.000 0.281 242 M C -1.007 175.174 176.300 -0.198 0.000 1.267 242 M CA -0.514 54.680 55.300 -0.178 0.000 0.845 242 M CB 2.509 34.878 32.600 -0.385 0.000 1.732 242 M HN 0.496 nan 8.290 nan 0.000 0.461 243 S N -0.185 115.407 115.700 -0.180 0.000 2.618 243 S HA 0.741 5.211 4.470 -0.000 0.000 0.277 243 S C -0.310 174.390 174.600 0.167 0.000 1.138 243 S CA -0.126 57.938 58.200 -0.227 0.000 0.844 243 S CB 1.632 64.560 63.200 -0.453 0.000 1.127 243 S HN 1.044 nan 8.310 nan 0.000 0.474 244 T N 0.339 114.987 114.554 0.156 0.000 2.900 244 T HA 0.162 4.512 4.350 -0.000 0.000 0.307 244 T C 0.987 175.861 174.700 0.291 0.000 1.065 244 T CA 0.026 62.282 62.100 0.260 0.000 1.105 244 T CB -0.038 68.953 68.868 0.206 0.000 0.979 244 T HN 0.883 nan 8.240 nan 0.000 0.544 245 Y N 3.742 124.189 120.300 0.244 0.000 2.069 245 Y HA -0.028 4.522 4.550 -0.000 0.000 0.278 245 Y C -1.067 175.001 175.900 0.280 0.000 1.175 245 Y CA 1.386 59.627 58.100 0.235 0.000 1.134 245 Y CB -2.009 36.586 38.460 0.225 0.000 0.965 245 Y HN 0.531 nan 8.280 nan 0.000 0.498 246 P HA -0.093 nan 4.420 nan 0.000 0.221 246 P C 1.145 178.418 177.300 -0.045 0.000 1.145 246 P CA 2.243 65.169 63.100 -0.291 0.000 0.795 246 P CB -0.348 31.231 31.700 -0.202 0.000 0.775 247 A N -0.938 121.941 122.820 0.097 0.000 2.235 247 A HA -0.057 4.263 4.320 -0.000 0.000 0.208 247 A C 1.180 178.919 177.584 0.259 0.000 1.172 247 A CA 0.020 52.168 52.037 0.184 0.000 0.786 247 A CB -0.991 18.122 19.000 0.188 0.000 0.804 247 A HN 0.083 nan 8.150 nan 0.000 0.479 248 K N -0.130 120.440 120.400 0.283 0.000 2.524 248 K HA 0.196 4.516 4.320 -0.000 0.000 0.279 248 K C 1.214 177.914 176.600 0.167 0.000 0.993 248 K CA 1.034 57.445 56.287 0.208 0.000 1.030 248 K CB -0.113 32.479 32.500 0.154 0.000 0.891 248 K HN 0.691 nan 8.250 nan 0.000 0.488 249 G N 3.763 112.562 108.800 -0.003 0.000 2.258 249 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.233 249 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.233 249 G C 0.914 175.827 174.900 0.022 0.000 1.006 249 G CA 0.303 45.410 45.100 0.012 0.000 0.620 249 G HN 0.653 nan 8.290 nan 0.000 0.511 250 I N 0.592 121.202 120.570 0.067 0.000 2.264 250 I HA -0.033 4.137 4.170 -0.000 0.000 0.248 250 I C 1.087 177.170 176.117 -0.057 0.000 1.111 250 I CA 1.315 62.636 61.300 0.034 0.000 1.382 250 I CB -0.133 37.926 38.000 0.099 0.000 1.060 250 I HN 0.125 nan 8.210 nan 0.000 0.418 251 V N 1.144 121.012 119.914 -0.077 0.000 2.513 251 V HA 0.510 4.630 4.120 -0.000 0.000 0.299 251 V C 0.336 176.337 176.094 -0.155 0.000 1.035 251 V CA -1.253 60.968 62.300 -0.131 0.000 0.889 251 V CB 1.447 33.206 31.823 -0.106 0.000 0.988 251 V HN 0.228 nan 8.190 nan 0.000 0.440 252 A N 2.680 125.451 122.820 -0.082 0.000 2.565 252 A HA 0.043 4.363 4.320 -0.000 0.000 0.237 252 A C 1.191 178.745 177.584 -0.049 0.000 1.053 252 A CA 0.069 52.081 52.037 -0.042 0.000 0.755 252 A CB -0.115 18.894 19.000 0.014 0.000 0.980 252 A HN 0.929 nan 8.150 nan 0.000 0.506 253 D N 1.633 121.999 120.400 -0.057 0.000 2.221 253 D HA -0.179 4.461 4.640 -0.000 0.000 0.204 253 D C 1.975 178.341 176.300 0.110 0.000 0.982 253 D CA 1.760 55.767 54.000 0.012 0.000 0.857 253 D CB 0.009 40.826 40.800 0.028 0.000 0.934 253 D HN 0.837 nan 8.370 nan 0.000 0.475 254 R N -0.111 120.439 120.500 0.084 0.000 2.235 254 R HA -0.102 4.238 4.340 -0.000 0.000 0.213 254 R C 0.933 177.309 176.300 0.125 0.000 1.059 254 R CA -0.038 56.112 56.100 0.084 0.000 0.997 254 R CB -0.745 29.590 30.300 0.059 0.000 0.884 254 R HN 0.032 nan 8.270 nan 0.000 0.462 255 Y N 3.775 124.105 120.300 0.050 0.000 2.745 255 Y HA 0.069 4.619 4.550 -0.000 0.000 0.335 255 Y C -1.730 174.224 175.900 0.090 0.000 1.212 255 Y CA -2.707 55.438 58.100 0.074 0.000 1.535 255 Y CB 0.922 39.435 38.460 0.088 0.000 1.220 255 Y HN -0.027 nan 8.280 nan 0.000 0.531 256 P HA -0.053 nan 4.420 nan 0.000 0.226 256 P C 0.262 177.190 177.300 -0.619 0.000 1.153 256 P CA 1.824 64.652 63.100 -0.453 0.000 0.777 256 P CB 0.287 31.772 31.700 -0.359 0.000 0.794 257 A N -2.197 120.009 122.820 -1.024 0.000 2.460 257 A HA 0.113 4.433 4.320 -0.000 0.000 0.258 257 A C -0.058 177.446 177.584 -0.134 0.000 1.300 257 A CA -0.295 51.379 52.037 -0.605 0.000 0.913 257 A CB -1.083 17.660 19.000 -0.429 0.000 1.031 257 A HN 0.076 nan 8.150 nan 0.000 0.512 258 Y N 0.988 121.200 120.300 -0.146 0.000 2.452 258 Y HA 0.396 4.946 4.550 -0.000 0.000 0.348 258 Y C 0.725 176.610 175.900 -0.025 0.000 0.985 258 Y CA -0.822 57.331 58.100 0.089 0.000 1.214 258 Y CB 0.461 39.053 38.460 0.220 0.000 1.136 258 Y HN 0.184 nan 8.280 nan 0.000 0.523 259 L N 5.550 126.442 121.223 -0.552 0.000 2.341 259 L HA 0.221 4.561 4.340 -0.000 0.000 0.214 259 L C 1.443 177.896 176.870 -0.694 0.000 1.115 259 L CA 0.696 55.214 54.840 -0.538 0.000 0.820 259 L CB -0.802 41.009 42.059 -0.415 0.000 0.944 259 L HN 1.001 nan 8.230 nan 0.000 0.452 260 G N 0.134 108.195 108.800 -1.231 0.000 2.451 260 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.208 260 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.208 260 G C -0.355 174.284 174.900 -0.434 0.000 1.248 260 G CA -0.254 44.387 45.100 -0.765 0.000 0.989 260 G HN 0.344 nan 8.290 nan 0.000 0.559 261 S N -0.383 115.211 115.700 -0.177 0.000 2.664 261 S HA 0.961 5.431 4.470 -0.000 0.000 0.304 261 S C 0.297 174.812 174.600 -0.142 0.000 1.099 261 S CA 0.606 58.762 58.200 -0.074 0.000 1.003 261 S CB 1.849 65.136 63.200 0.145 0.000 1.092 261 S HN 2.419 nan 8.310 nan 0.000 0.525 262 A N 0.764 123.515 122.820 -0.114 0.000 2.261 262 A HA 0.794 5.114 4.320 -0.000 0.000 0.323 262 A C 0.660 178.273 177.584 0.048 0.000 1.107 262 A CA -0.261 51.711 52.037 -0.109 0.000 0.883 262 A CB 0.075 18.946 19.000 -0.215 0.000 1.251 262 A HN 1.257 nan 8.150 nan 0.000 0.502 263 N N -1.403 117.284 118.700 -0.021 0.000 2.134 263 N HA -0.224 4.516 4.740 -0.000 0.000 0.204 263 N C 1.193 176.596 175.510 -0.177 0.000 0.732 263 N CA 1.575 54.536 53.050 -0.149 0.000 1.443 263 N CB -0.912 37.327 38.487 -0.412 0.000 1.597 263 N HN 0.755 nan 8.380 nan 0.000 0.388 264 R N 0.429 120.810 120.500 -0.198 0.000 2.167 264 R HA 0.335 4.675 4.340 -0.000 0.000 0.195 264 R C 0.152 176.477 176.300 0.042 0.000 1.027 264 R CA 0.717 56.753 56.100 -0.106 0.000 1.114 264 R CB 0.350 30.560 30.300 -0.151 0.000 1.075 264 R HN 0.198 nan 8.270 nan 0.000 0.538 265 V N 2.721 122.687 119.914 0.086 0.000 2.229 265 V HA 0.433 4.553 4.120 -0.000 0.000 0.245 265 V C -0.240 175.849 176.094 -0.008 0.000 1.243 265 V CA 0.168 62.469 62.300 0.000 0.000 1.176 265 V CB 0.021 31.711 31.823 -0.221 0.000 1.323 265 V HN 0.416 nan 8.190 nan 0.000 0.499 266 A N 4.455 127.270 122.820 -0.008 0.000 2.610 266 A HA 0.816 5.136 4.320 -0.000 0.000 0.291 266 A C -1.108 176.430 177.584 -0.076 0.000 1.086 266 A CA -0.825 51.183 52.037 -0.048 0.000 0.677 266 A CB 1.744 20.688 19.000 -0.093 0.000 1.278 266 A HN 0.497 nan 8.150 nan 0.000 0.414 267 Q N 0.696 120.369 119.800 -0.211 0.000 2.365 267 Q HA 0.330 4.670 4.340 -0.000 0.000 0.269 267 Q C 0.410 175.918 176.000 -0.820 0.000 1.061 267 Q CA -0.784 54.749 55.803 -0.449 0.000 0.816 267 Q CB 2.649 31.223 28.738 -0.275 0.000 1.325 267 Q HN 0.858 nan 8.270 nan 0.000 0.446 268 K N 2.251 121.790 120.400 -1.435 0.000 2.034 268 K HA -0.199 4.121 4.320 -0.000 0.000 0.214 268 K C -1.026 175.145 176.600 -0.714 0.000 1.051 268 K CA 2.086 57.767 56.287 -1.010 0.000 0.931 268 K CB -0.674 31.176 32.500 -1.084 0.000 0.715 268 K HN 0.338 nan 8.250 nan 0.000 0.446 269 P HA -0.093 nan 4.420 nan 0.000 0.218 269 P C 0.807 177.862 177.300 -0.408 0.000 1.149 269 P CA 1.728 64.534 63.100 -0.490 0.000 0.817 269 P CB -0.026 31.398 31.700 -0.460 0.000 0.785 270 A N -0.290 122.262 122.820 -0.446 0.000 1.873 270 A HA -0.193 4.127 4.320 -0.000 0.000 0.215 270 A C 2.205 179.600 177.584 -0.314 0.000 1.186 270 A CA 1.658 53.466 52.037 -0.382 0.000 0.616 270 A CB -1.451 17.299 19.000 -0.416 0.000 0.823 270 A HN 0.088 nan 8.150 nan 0.000 0.442 271 N N 0.100 118.617 118.700 -0.305 0.000 2.069 271 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 271 N C 1.691 177.092 175.510 -0.182 0.000 1.031 271 N CA 1.722 54.633 53.050 -0.232 0.000 0.852 271 N CB -0.406 37.945 38.487 -0.226 0.000 1.018 271 N HN 0.669 nan 8.380 nan 0.000 0.423 272 E N 0.438 120.520 120.200 -0.197 0.000 2.051 272 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 272 E C 1.951 178.518 176.600 -0.055 0.000 0.991 272 E CA 1.161 57.484 56.400 -0.129 0.000 0.799 272 E CB -0.107 29.506 29.700 -0.144 0.000 0.748 272 E HN 0.355 nan 8.360 nan 0.000 0.449 273 A N 1.204 123.975 122.820 -0.081 0.000 1.898 273 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 273 A C 2.164 179.846 177.584 0.163 0.000 1.181 273 A CA 0.944 53.018 52.037 0.061 0.000 0.620 273 A CB -0.525 18.419 19.000 -0.092 0.000 0.819 273 A HN 0.214 nan 8.150 nan 0.000 0.442 274 L N -0.067 121.156 121.223 0.001 0.000 2.079 274 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 274 L C 2.621 179.508 176.870 0.029 0.000 1.081 274 L CA 2.151 56.989 54.840 -0.003 0.000 0.752 274 L CB -0.750 41.225 42.059 -0.141 0.000 0.896 274 L HN 0.347 nan 8.230 nan 0.000 0.433 275 A N -1.606 121.214 122.820 0.001 0.000 2.019 275 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 275 A C 2.079 179.682 177.584 0.031 0.000 1.164 275 A CA 1.482 53.519 52.037 0.000 0.000 0.644 275 A CB -0.329 18.656 19.000 -0.024 0.000 0.805 275 A HN 0.603 nan 8.150 nan 0.000 0.449 276 Q N -0.803 119.050 119.800 0.089 0.000 2.396 276 Q HA 0.309 4.649 4.340 -0.000 0.000 0.209 276 Q C 0.897 176.858 176.000 -0.066 0.000 0.906 276 Q CA 0.649 56.499 55.803 0.078 0.000 0.927 276 Q CB -0.326 28.569 28.738 0.261 0.000 1.069 276 Q HN 0.572 nan 8.270 nan 0.000 0.523 277 A N 2.653 125.466 122.820 -0.011 0.000 2.498 277 A HA 0.064 4.384 4.320 -0.000 0.000 0.239 277 A C 0.768 178.271 177.584 -0.135 0.000 1.068 277 A CA 0.252 52.205 52.037 -0.139 0.000 0.766 277 A CB 0.200 19.250 19.000 0.083 0.000 1.003 277 A HN 0.234 nan 8.150 nan 0.000 0.497 278 D N 0.892 121.163 120.400 -0.215 0.000 2.277 278 D HA 0.059 4.699 4.640 -0.000 0.000 0.209 278 D C 0.099 176.374 176.300 -0.042 0.000 0.970 278 D CA 0.598 54.518 54.000 -0.133 0.000 0.874 278 D CB -0.116 40.586 40.800 -0.163 0.000 0.982 278 D HN 0.183 nan 8.370 nan 0.000 0.504 279 V N 1.053 120.962 119.914 -0.008 0.000 2.577 279 V HA 0.402 4.522 4.120 -0.000 0.000 0.303 279 V C -0.654 175.484 176.094 0.073 0.000 1.042 279 V CA -0.985 61.358 62.300 0.073 0.000 0.872 279 V CB 2.588 34.472 31.823 0.102 0.000 0.998 279 V HN -0.070 nan 8.190 nan 0.000 0.423 280 V N 5.612 125.558 119.914 0.052 0.000 2.409 280 V HA 0.429 4.549 4.120 -0.000 0.000 0.291 280 V C -0.465 175.560 176.094 -0.115 0.000 1.020 280 V CA -0.623 61.696 62.300 0.031 0.000 0.848 280 V CB 1.767 33.638 31.823 0.081 0.000 0.990 280 V HN 0.669 nan 8.190 nan 0.000 0.430 281 L N 6.141 127.366 121.223 0.004 0.000 2.268 281 L HA 0.499 4.839 4.340 -0.000 0.000 0.289 281 L C -0.834 176.064 176.870 0.046 0.000 1.064 281 L CA 0.079 54.906 54.840 -0.022 0.000 0.824 281 L CB 0.293 42.377 42.059 0.042 0.000 1.202 281 L HN 0.532 nan 8.230 nan 0.000 0.433 282 F N 6.336 126.091 119.950 -0.325 0.000 2.334 282 F HA 0.561 5.088 4.527 0.000 0.000 0.367 282 F C -0.627 175.093 175.800 -0.134 0.000 1.115 282 F CA -0.618 57.215 58.000 -0.278 0.000 1.116 282 F CB 0.895 39.523 39.000 -0.620 0.000 1.230 282 F HN 0.211 nan 8.300 nan 0.000 0.484 283 V N 4.385 124.180 119.914 -0.197 0.000 2.444 283 V HA 0.571 4.691 4.120 -0.000 0.000 0.294 283 V C 0.546 176.541 176.094 -0.165 0.000 1.022 283 V CA -0.759 61.473 62.300 -0.114 0.000 0.850 283 V CB 0.895 32.723 31.823 0.007 0.000 0.992 283 V HN 0.997 nan 8.190 nan 0.000 0.426 284 G N 3.041 111.755 108.800 -0.144 0.000 2.366 284 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.299 284 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.299 284 G C -0.047 174.744 174.900 -0.182 0.000 1.020 284 G CA 0.609 45.647 45.100 -0.104 0.000 1.026 284 G HN 0.800 nan 8.290 nan 0.000 0.512 285 N N -0.261 118.205 118.700 -0.391 0.000 2.352 285 N HA 0.394 5.134 4.740 -0.000 0.000 0.291 285 N C -0.473 174.808 175.510 -0.382 0.000 1.040 285 N CA -0.862 51.821 53.050 -0.612 0.000 0.864 285 N CB 1.488 39.099 38.487 -1.459 0.000 1.440 285 N HN 0.087 nan 8.380 nan 0.000 0.483 286 N N 2.851 121.527 118.700 -0.041 0.000 2.497 286 N HA 0.065 4.805 4.740 -0.000 0.000 0.284 286 N C -1.222 174.466 175.510 0.296 0.000 1.459 286 N CA -0.413 52.745 53.050 0.180 0.000 0.899 286 N CB -0.238 38.322 38.487 0.122 0.000 1.316 286 N HN 0.441 nan 8.380 nan 0.000 0.500 287 Y N 2.245 122.689 120.300 0.240 0.000 2.863 287 Y HA 0.003 4.553 4.550 -0.000 0.000 0.359 287 Y C -1.327 174.714 175.900 0.235 0.000 1.312 287 Y CA -1.042 57.232 58.100 0.291 0.000 1.650 287 Y CB 0.694 39.414 38.460 0.432 0.000 1.201 287 Y HN 0.315 nan 8.280 nan 0.000 0.531 288 P HA -0.085 nan 4.420 nan 0.000 0.241 288 P C 0.600 177.547 177.300 -0.589 0.000 1.191 288 P CA 1.027 63.915 63.100 -0.354 0.000 0.771 288 P CB -0.020 31.413 31.700 -0.444 0.000 0.929 289 F N 0.055 119.630 119.950 -0.625 0.000 2.765 289 F HA 0.306 4.833 4.527 -0.000 0.000 0.302 289 F C 2.451 178.039 175.800 -0.354 0.000 1.111 289 F CA 0.127 57.795 58.000 -0.554 0.000 1.359 289 F CB -1.009 37.566 39.000 -0.708 0.000 1.097 289 F HN -0.074 nan 8.300 nan 0.000 0.577 290 A N 0.792 123.564 122.820 -0.079 0.000 1.869 290 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 290 A C 2.081 179.713 177.584 0.080 0.000 1.203 290 A CA 2.421 54.556 52.037 0.164 0.000 0.638 290 A CB -0.716 18.537 19.000 0.422 0.000 0.831 290 A HN 0.363 nan 8.150 nan 0.000 0.450 291 E N -0.480 119.767 120.200 0.078 0.000 2.051 291 E HA -0.065 4.285 4.350 -0.000 0.000 0.189 291 E C 2.091 178.715 176.600 0.039 0.000 0.979 291 E CA 1.401 57.839 56.400 0.063 0.000 0.803 291 E CB -0.535 29.193 29.700 0.047 0.000 0.761 291 E HN 0.617 nan 8.360 nan 0.000 0.451 292 V N -0.074 119.860 119.914 0.033 0.000 2.490 292 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 292 V C 2.020 178.142 176.094 0.047 0.000 1.061 292 V CA 1.887 64.212 62.300 0.041 0.000 1.064 292 V CB -0.733 31.121 31.823 0.052 0.000 0.670 292 V HN 0.308 nan 8.190 nan 0.000 0.461 293 S N -1.038 114.694 115.700 0.053 0.000 2.575 293 S HA 0.169 4.639 4.470 -0.000 0.000 0.215 293 S C 0.940 175.536 174.600 -0.006 0.000 0.966 293 S CA 0.213 58.429 58.200 0.026 0.000 0.911 293 S CB -0.604 62.617 63.200 0.034 0.000 0.780 293 S HN 0.714 nan 8.310 nan 0.000 0.514 294 K N 0.308 120.707 120.400 -0.002 0.000 3.035 294 K HA -0.232 4.088 4.320 -0.000 0.000 0.262 294 K C 1.150 177.706 176.600 -0.074 0.000 1.024 294 K CA 0.362 56.642 56.287 -0.011 0.000 0.748 294 K CB -2.102 30.397 32.500 -0.002 0.000 1.247 294 K HN 0.558 nan 8.250 nan 0.000 0.482 295 A N 0.204 122.918 122.820 -0.177 0.000 1.917 295 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 295 A C 1.193 178.501 177.584 -0.461 0.000 1.182 295 A CA 1.547 53.351 52.037 -0.388 0.000 0.633 295 A CB -0.273 18.352 19.000 -0.624 0.000 0.819 295 A HN 0.362 nan 8.150 nan 0.000 0.448 296 F N -0.124 119.807 119.950 -0.032 0.000 2.750 296 F HA 0.215 4.742 4.527 -0.000 0.000 0.297 296 F C 1.629 177.334 175.800 -0.158 0.000 1.138 296 F CA -0.073 57.807 58.000 -0.198 0.000 1.346 296 F CB -0.026 38.603 39.000 -0.618 0.000 0.965 296 F HN 0.362 nan 8.300 nan 0.000 0.514 297 K N -0.322 120.115 120.400 0.062 0.000 2.148 297 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 297 K C 0.768 177.404 176.600 0.060 0.000 1.050 297 K CA 1.624 57.958 56.287 0.079 0.000 0.942 297 K CB -0.081 32.443 32.500 0.040 0.000 0.724 297 K HN 0.092 nan 8.250 nan 0.000 0.446 298 N N 0.829 119.550 118.700 0.035 0.000 2.203 298 N HA 0.038 4.778 4.740 -0.000 0.000 0.207 298 N C -0.657 174.855 175.510 0.004 0.000 1.130 298 N CA 0.156 53.214 53.050 0.012 0.000 0.861 298 N CB 0.928 39.413 38.487 -0.004 0.000 1.005 298 N HN 0.146 nan 8.380 nan 0.000 0.507 299 T N 0.774 115.348 114.554 0.032 0.000 2.834 299 T HA 0.102 4.452 4.350 -0.000 0.000 0.298 299 T C 1.473 176.163 174.700 -0.017 0.000 0.966 299 T CA -0.101 62.015 62.100 0.027 0.000 1.141 299 T CB 2.152 71.065 68.868 0.076 0.000 0.905 299 T HN 0.142 nan 8.240 nan 0.000 0.535 300 R N 2.100 122.532 120.500 -0.113 0.000 2.055 300 R HA 0.017 4.356 4.340 -0.000 0.000 0.226 300 R C -0.371 175.701 176.300 -0.379 0.000 1.135 300 R CA 1.093 56.996 56.100 -0.330 0.000 0.959 300 R CB 0.184 30.176 30.300 -0.513 0.000 0.854 300 R HN 0.591 nan 8.270 nan 0.000 0.431 301 Y N -1.171 119.175 120.300 0.077 0.000 2.409 301 Y HA 0.354 4.904 4.550 -0.000 0.000 0.343 301 Y C -1.147 174.832 175.900 0.131 0.000 0.973 301 Y CA -1.320 56.838 58.100 0.097 0.000 1.064 301 Y CB 1.569 40.057 38.460 0.047 0.000 1.207 301 Y HN -0.052 nan 8.280 nan 0.000 0.452 302 F N 4.714 124.756 119.950 0.153 0.000 2.460 302 F HA 0.679 5.206 4.527 -0.000 0.000 0.341 302 F C -1.553 174.272 175.800 0.042 0.000 1.130 302 F CA -0.949 57.059 58.000 0.014 0.000 0.962 302 F CB 0.657 39.648 39.000 -0.015 0.000 1.171 302 F HN 0.327 nan 8.300 nan 0.000 0.436 303 L N 5.888 126.937 121.223 -0.290 0.000 2.313 303 L HA 0.547 4.887 4.340 -0.000 0.000 0.283 303 L C -0.692 176.033 176.870 -0.241 0.000 1.013 303 L CA -0.666 54.083 54.840 -0.152 0.000 0.816 303 L CB 1.826 43.836 42.059 -0.081 0.000 1.236 303 L HN 0.570 nan 8.230 nan 0.000 0.419 304 Q N 3.545 123.305 119.800 -0.067 0.000 2.353 304 Q HA 0.662 5.002 4.340 -0.000 0.000 0.268 304 Q C -1.509 174.511 176.000 0.033 0.000 1.045 304 Q CA -0.608 55.203 55.803 0.013 0.000 0.811 304 Q CB 2.477 31.323 28.738 0.179 0.000 1.305 304 Q HN 0.621 nan 8.270 nan 0.000 0.447 305 I N 3.222 123.804 120.570 0.020 0.000 2.418 305 I HA 0.469 4.639 4.170 -0.000 0.000 0.287 305 I C -0.844 175.275 176.117 0.005 0.000 1.008 305 I CA -0.497 60.808 61.300 0.009 0.000 1.104 305 I CB 1.709 39.706 38.000 -0.006 0.000 1.264 305 I HN 0.540 nan 8.210 nan 0.000 0.438 306 D N 4.881 125.291 120.400 0.017 0.000 2.717 306 D HA 0.276 4.916 4.640 -0.000 0.000 0.223 306 D C 0.125 176.432 176.300 0.011 0.000 1.240 306 D CA -0.480 53.526 54.000 0.010 0.000 0.801 306 D CB 2.957 43.776 40.800 0.031 0.000 1.556 306 D HN 0.479 nan 8.370 nan 0.000 0.462 307 I N 0.910 121.482 120.570 0.002 0.000 2.761 307 I HA -0.079 4.091 4.170 -0.000 0.000 0.261 307 I C 0.246 176.365 176.117 0.004 0.000 1.198 307 I CA 0.653 61.955 61.300 0.003 0.000 1.482 307 I CB 0.352 38.352 38.000 -0.000 0.000 1.100 307 I HN 0.205 nan 8.210 nan 0.000 0.445 308 D N 0.865 121.267 120.400 0.003 0.000 2.329 308 D HA 0.157 4.797 4.640 -0.000 0.000 0.232 308 D C -1.633 174.677 176.300 0.017 0.000 1.088 308 D CA -2.617 51.385 54.000 0.002 0.000 0.835 308 D CB 1.476 42.267 40.800 -0.016 0.000 1.078 308 D HN 0.012 nan 8.370 nan 0.000 0.495 309 P HA -0.109 nan 4.420 nan 0.000 0.220 309 P C 0.927 178.244 177.300 0.029 0.000 1.148 309 P CA 0.626 63.741 63.100 0.024 0.000 0.803 309 P CB 0.180 31.890 31.700 0.018 0.000 0.782 310 A N -0.032 122.802 122.820 0.022 0.000 2.172 310 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 310 A C 2.009 179.619 177.584 0.043 0.000 1.154 310 A CA 1.213 53.265 52.037 0.025 0.000 0.701 310 A CB -0.625 18.383 19.000 0.013 0.000 0.789 310 A HN 0.051 nan 8.150 nan 0.000 0.465 311 K N -0.501 119.932 120.400 0.055 0.000 2.352 311 K HA 0.258 4.578 4.320 -0.000 0.000 0.194 311 K C 0.181 176.859 176.600 0.130 0.000 1.038 311 K CA 0.075 56.419 56.287 0.095 0.000 1.023 311 K CB -0.134 32.421 32.500 0.091 0.000 0.840 311 K HN 0.439 nan 8.250 nan 0.000 0.519 312 L N 1.477 122.761 121.223 0.101 0.000 2.456 312 L HA 0.119 4.459 4.340 -0.000 0.000 0.277 312 L C 1.021 177.954 176.870 0.105 0.000 1.124 312 L CA 0.300 55.209 54.840 0.114 0.000 0.880 312 L CB -0.030 42.078 42.059 0.080 0.000 1.192 312 L HN 0.483 nan 8.230 nan 0.000 0.463 313 G N 2.533 111.418 108.800 0.141 0.000 2.159 313 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.256 313 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.256 313 G C 1.082 176.010 174.900 0.046 0.000 0.977 313 G CA 0.591 45.741 45.100 0.083 0.000 0.652 313 G HN 0.719 nan 8.290 nan 0.000 0.531 314 K N -0.073 120.384 120.400 0.095 0.000 2.002 314 K HA -0.030 4.290 4.320 -0.000 0.000 0.209 314 K C 2.451 179.087 176.600 0.060 0.000 1.048 314 K CA 1.335 57.671 56.287 0.082 0.000 0.930 314 K CB -0.140 32.433 32.500 0.123 0.000 0.714 314 K HN 0.263 nan 8.250 nan 0.000 0.438 315 R N -0.567 119.980 120.500 0.079 0.000 2.280 315 R HA 0.151 4.491 4.340 -0.000 0.000 0.195 315 R C 0.208 176.446 176.300 -0.104 0.000 0.935 315 R CA 0.376 56.507 56.100 0.052 0.000 1.033 315 R CB 0.206 30.609 30.300 0.172 0.000 0.964 315 R HN 0.393 nan 8.270 nan 0.000 0.489 316 H N -0.447 118.336 119.070 -0.478 0.000 3.043 316 H HA 0.132 4.688 4.556 -0.000 0.000 0.317 316 H C -1.110 173.919 175.328 -0.498 0.000 1.321 316 H CA -0.677 54.948 56.048 -0.705 0.000 1.243 316 H CB 2.005 30.764 29.762 -1.672 0.000 1.924 316 H HN -0.177 nan 8.280 nan 0.000 0.527 317 K N 2.129 122.131 120.400 -0.663 0.000 2.451 317 K HA 0.056 4.376 4.320 -0.000 0.000 0.280 317 K C -0.118 176.455 176.600 -0.044 0.000 1.020 317 K CA 0.270 56.383 56.287 -0.290 0.000 1.008 317 K CB 0.397 32.734 32.500 -0.271 0.000 0.917 317 K HN 0.570 nan 8.250 nan 0.000 0.478 318 T N 0.474 115.089 114.554 0.101 0.000 2.909 318 T HA 0.182 4.532 4.350 -0.000 0.000 0.286 318 T C 0.481 175.285 174.700 0.173 0.000 1.002 318 T CA -0.853 61.400 62.100 0.255 0.000 1.074 318 T CB 1.340 70.345 68.868 0.229 0.000 0.984 318 T HN 0.521 nan 8.240 nan 0.000 0.495 319 D N 1.250 121.772 120.400 0.202 0.000 2.262 319 D HA 0.192 4.832 4.640 -0.000 0.000 0.212 319 D C 0.443 176.780 176.300 0.062 0.000 0.964 319 D CA 0.858 54.937 54.000 0.133 0.000 0.875 319 D CB 0.493 41.400 40.800 0.178 0.000 0.996 319 D HN 0.543 nan 8.370 nan 0.000 0.497 320 I N 0.486 121.092 120.570 0.060 0.000 2.569 320 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 320 I C -1.008 175.136 176.117 0.045 0.000 1.088 320 I CA -0.809 60.507 61.300 0.028 0.000 1.047 320 I CB 2.482 40.478 38.000 -0.008 0.000 1.237 320 I HN -0.221 nan 8.210 nan 0.000 0.421 321 A N 5.888 128.735 122.820 0.045 0.000 2.356 321 A HA 0.849 5.169 4.320 -0.000 0.000 0.310 321 A C -1.131 176.473 177.584 0.034 0.000 1.075 321 A CA -0.551 51.519 52.037 0.055 0.000 0.746 321 A CB 1.590 20.634 19.000 0.074 0.000 1.221 321 A HN 0.409 nan 8.150 nan 0.000 0.443 322 V N 3.382 123.314 119.914 0.030 0.000 2.407 322 V HA 0.274 4.394 4.120 -0.000 0.000 0.291 322 V C -0.545 175.561 176.094 0.021 0.000 1.018 322 V CA -0.361 61.949 62.300 0.018 0.000 0.842 322 V CB 1.353 33.181 31.823 0.007 0.000 0.996 322 V HN 0.790 nan 8.190 nan 0.000 0.426 323 L N 5.954 127.188 121.223 0.018 0.000 2.375 323 L HA 0.754 5.094 4.340 -0.000 0.000 0.276 323 L C 0.286 177.161 176.870 0.009 0.000 1.162 323 L CA 0.568 55.418 54.840 0.017 0.000 0.991 323 L CB -0.422 41.647 42.059 0.017 0.000 1.315 323 L HN 0.832 nan 8.230 nan 0.000 0.431 324 A N 2.811 125.634 122.820 0.006 0.000 2.601 324 A HA 0.415 4.735 4.320 -0.000 0.000 0.291 324 A C -1.265 176.318 177.584 -0.001 0.000 1.075 324 A CA -0.853 51.185 52.037 0.001 0.000 0.671 324 A CB 0.570 19.569 19.000 -0.001 0.000 1.277 324 A HN 0.445 nan 8.150 nan 0.000 0.417 325 D N 0.882 121.280 120.400 -0.004 0.000 2.493 325 D HA 0.407 5.047 4.640 -0.000 0.000 0.240 325 D C 1.359 177.653 176.300 -0.010 0.000 1.142 325 D CA 0.949 54.946 54.000 -0.005 0.000 0.872 325 D CB 1.173 41.969 40.800 -0.006 0.000 1.173 325 D HN 0.792 nan 8.370 nan 0.000 0.467 326 A N 3.945 126.758 122.820 -0.012 0.000 1.865 326 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 326 A C 1.964 179.533 177.584 -0.025 0.000 1.191 326 A CA 1.661 53.687 52.037 -0.018 0.000 0.623 326 A CB -0.704 18.285 19.000 -0.019 0.000 0.826 326 A HN 0.805 nan 8.150 nan 0.000 0.444 327 Q N -0.273 119.512 119.800 -0.026 0.000 2.119 327 Q HA -0.171 4.169 4.340 -0.000 0.000 0.201 327 Q C 1.971 177.955 176.000 -0.027 0.000 0.972 327 Q CA 1.699 57.482 55.803 -0.032 0.000 0.847 327 Q CB -0.137 28.583 28.738 -0.030 0.000 0.903 327 Q HN 0.714 nan 8.270 nan 0.000 0.433 328 K N -0.547 119.842 120.400 -0.019 0.000 2.097 328 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 328 K C 2.096 178.686 176.600 -0.018 0.000 1.049 328 K CA 1.730 58.007 56.287 -0.017 0.000 0.933 328 K CB -0.023 32.469 32.500 -0.013 0.000 0.717 328 K HN 0.194 nan 8.250 nan 0.000 0.442 329 T N 1.794 116.338 114.554 -0.017 0.000 2.812 329 T HA -0.032 4.318 4.350 -0.000 0.000 0.264 329 T C 1.892 176.581 174.700 -0.019 0.000 1.042 329 T CA 0.877 62.968 62.100 -0.016 0.000 1.140 329 T CB -0.110 68.751 68.868 -0.012 0.000 0.870 329 T HN 0.075 nan 8.240 nan 0.000 0.445 330 L N 0.864 122.073 121.223 -0.024 0.000 2.093 330 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 330 L C 2.998 179.850 176.870 -0.031 0.000 1.085 330 L CA 1.050 55.872 54.840 -0.029 0.000 0.755 330 L CB -0.621 41.412 42.059 -0.043 0.000 0.904 330 L HN 0.223 nan 8.230 nan 0.000 0.435 331 A N 0.084 122.886 122.820 -0.031 0.000 1.902 331 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 331 A C 2.552 180.122 177.584 -0.024 0.000 1.181 331 A CA 1.647 53.666 52.037 -0.029 0.000 0.623 331 A CB -0.684 18.300 19.000 -0.027 0.000 0.818 331 A HN 0.381 nan 8.150 nan 0.000 0.443 332 A N 0.062 122.870 122.820 -0.021 0.000 1.902 332 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 332 A C 2.109 179.682 177.584 -0.018 0.000 1.181 332 A CA 1.535 53.561 52.037 -0.018 0.000 0.623 332 A CB -0.625 18.366 19.000 -0.016 0.000 0.818 332 A HN 0.507 nan 8.150 nan 0.000 0.443 333 I N -0.955 119.604 120.570 -0.019 0.000 2.142 333 I HA -0.246 3.923 4.170 -0.000 0.000 0.240 333 I C 2.418 178.523 176.117 -0.020 0.000 1.078 333 I CA 1.356 62.645 61.300 -0.018 0.000 1.343 333 I CB -0.359 37.632 38.000 -0.015 0.000 1.046 333 I HN 0.369 nan 8.210 nan 0.000 0.405 334 L N 1.238 122.447 121.223 -0.024 0.000 2.079 334 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 334 L C 2.454 179.310 176.870 -0.024 0.000 1.081 334 L CA 2.059 56.883 54.840 -0.027 0.000 0.752 334 L CB -0.714 41.326 42.059 -0.032 0.000 0.896 334 L HN 0.209 nan 8.230 nan 0.000 0.433 335 A N -0.887 121.919 122.820 -0.022 0.000 2.121 335 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 335 A C 1.933 179.506 177.584 -0.018 0.000 1.154 335 A CA 1.282 53.307 52.037 -0.020 0.000 0.679 335 A CB -0.515 18.474 19.000 -0.018 0.000 0.795 335 A HN 0.759 nan 8.150 nan 0.000 0.458 336 Q N -0.237 119.552 119.800 -0.019 0.000 2.179 336 Q HA 0.360 4.700 4.340 -0.000 0.000 0.213 336 Q C -0.068 175.920 176.000 -0.020 0.000 0.833 336 Q CA 0.183 55.975 55.803 -0.018 0.000 0.990 336 Q CB -0.150 28.578 28.738 -0.017 0.000 1.132 336 Q HN 0.474 nan 8.270 nan 0.000 0.493 337 V N -1.689 118.212 119.914 -0.022 0.000 3.046 337 V HA 0.882 5.002 4.120 -0.000 0.000 0.316 337 V C -0.370 175.708 176.094 -0.027 0.000 1.104 337 V CA -0.413 61.872 62.300 -0.025 0.000 1.006 337 V CB 1.832 33.639 31.823 -0.027 0.000 1.058 337 V HN 0.315 nan 8.190 nan 0.000 0.440 338 S N 0.236 115.918 115.700 -0.029 0.000 2.709 338 S HA 0.663 5.133 4.470 -0.000 0.000 0.302 338 S C -0.378 174.197 174.600 -0.041 0.000 1.127 338 S CA -0.655 57.527 58.200 -0.031 0.000 0.905 338 S CB 1.416 64.602 63.200 -0.024 0.000 1.151 338 S HN 1.230 nan 8.310 nan 0.000 0.510 339 E N 0.854 121.029 120.200 -0.042 0.000 2.652 339 E HA 0.012 4.362 4.350 -0.000 0.000 0.255 339 E C -0.437 176.125 176.600 -0.062 0.000 0.952 339 E CA 0.674 57.040 56.400 -0.056 0.000 0.947 339 E CB 0.272 29.947 29.700 -0.042 0.000 0.912 339 E HN 0.448 nan 8.360 nan 0.000 0.489 340 R N 3.698 124.142 120.500 -0.094 0.000 2.604 340 R HA 0.224 4.564 4.340 -0.000 0.000 0.287 340 R C -0.178 176.055 176.300 -0.112 0.000 0.970 340 R CA -0.869 55.175 56.100 -0.094 0.000 0.946 340 R CB 1.297 31.532 30.300 -0.109 0.000 1.127 340 R HN 0.694 nan 8.270 nan 0.000 0.473 341 E N 1.230 121.386 120.200 -0.074 0.000 2.404 341 E HA -0.004 4.346 4.350 -0.000 0.000 0.261 341 E C -0.277 176.268 176.600 -0.093 0.000 1.074 341 E CA -0.048 56.317 56.400 -0.058 0.000 0.917 341 E CB 0.923 30.615 29.700 -0.015 0.000 0.965 341 E HN 0.460 nan 8.360 nan 0.000 0.433 342 S N 1.848 117.508 115.700 -0.066 0.000 2.550 342 S HA -0.012 4.458 4.470 -0.000 0.000 0.285 342 S C -0.228 174.401 174.600 0.048 0.000 1.326 342 S CA 0.528 58.718 58.200 -0.016 0.000 1.037 342 S CB 0.213 63.499 63.200 0.143 0.000 0.838 342 S HN 0.592 nan 8.310 nan 0.000 0.519 343 T N 1.413 116.044 114.554 0.129 0.000 2.901 343 T HA 0.590 4.940 4.350 -0.000 0.000 0.293 343 T C -2.420 172.372 174.700 0.154 0.000 1.084 343 T CA -1.692 60.498 62.100 0.150 0.000 1.008 343 T CB 1.334 70.312 68.868 0.182 0.000 1.170 343 T HN 0.325 nan 8.240 nan 0.000 0.509 344 P HA -0.079 nan 4.420 nan 0.000 0.216 344 P C 1.332 178.706 177.300 0.123 0.000 1.153 344 P CA 0.888 64.069 63.100 0.135 0.000 0.858 344 P CB -0.057 31.785 31.700 0.237 0.000 0.789 345 W N -0.450 120.875 121.300 0.041 0.000 2.335 345 W HA -0.196 4.465 4.660 0.000 0.000 0.311 345 W C 2.037 178.580 176.519 0.041 0.000 1.213 345 W CA 0.990 58.363 57.345 0.047 0.000 1.274 345 W CB -0.980 28.527 29.460 0.077 0.000 1.148 345 W HN 0.074 nan 8.180 nan 0.000 0.498 346 W N 1.717 122.935 121.300 -0.137 0.000 2.333 346 W HA -0.260 4.400 4.660 -0.000 0.000 0.316 346 W C 2.163 178.441 176.519 -0.400 0.000 1.215 346 W CA 1.637 58.816 57.345 -0.275 0.000 1.278 346 W CB -0.523 28.870 29.460 -0.111 0.000 1.154 346 W HN -0.011 nan 8.180 nan 0.000 0.486 347 Q N 0.556 120.070 119.800 -0.477 0.000 2.124 347 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 347 Q C 2.457 177.939 176.000 -0.864 0.000 0.977 347 Q CA 1.955 57.214 55.803 -0.907 0.000 0.850 347 Q CB -1.218 26.646 28.738 -1.456 0.000 0.901 347 Q HN 0.417 nan 8.270 nan 0.000 0.429 348 A N 1.713 124.156 122.820 -0.627 0.000 1.883 348 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 348 A C 1.949 179.314 177.584 -0.365 0.000 1.186 348 A CA 1.589 53.503 52.037 -0.204 0.000 0.624 348 A CB -0.534 18.473 19.000 0.010 0.000 0.822 348 A HN 0.353 nan 8.150 nan 0.000 0.444 349 N N -0.029 118.322 118.700 -0.581 0.000 2.142 349 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 349 N C 1.779 176.929 175.510 -0.600 0.000 1.023 349 N CA 1.343 54.018 53.050 -0.625 0.000 0.852 349 N CB -0.344 37.674 38.487 -0.781 0.000 0.998 349 N HN 0.484 nan 8.380 nan 0.000 0.424 350 L N 0.998 121.793 121.223 -0.712 0.000 2.042 350 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 350 L C 2.540 179.102 176.870 -0.514 0.000 1.076 350 L CA 1.265 55.702 54.840 -0.673 0.000 0.749 350 L CB -0.506 41.081 42.059 -0.788 0.000 0.893 350 L HN 0.128 nan 8.230 nan 0.000 0.432 351 A N -0.133 122.368 122.820 -0.532 0.000 1.930 351 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 351 A C 2.052 179.106 177.584 -0.884 0.000 1.175 351 A CA 1.935 53.599 52.037 -0.620 0.000 0.627 351 A CB -0.630 18.012 19.000 -0.597 0.000 0.815 351 A HN 0.440 nan 8.150 nan 0.000 0.443 352 N N 0.146 118.342 118.700 -0.839 0.000 2.120 352 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 352 N C 1.500 176.866 175.510 -0.241 0.000 1.024 352 N CA 1.684 54.433 53.050 -0.502 0.000 0.852 352 N CB -0.344 37.991 38.487 -0.252 0.000 1.003 352 N HN 0.161 nan 8.380 nan 0.000 0.424 353 V N 0.867 120.620 119.914 -0.269 0.000 2.343 353 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 353 V C 2.235 178.291 176.094 -0.063 0.000 1.051 353 V CA 1.561 63.780 62.300 -0.135 0.000 1.036 353 V CB -0.413 31.279 31.823 -0.219 0.000 0.654 353 V HN 0.347 nan 8.190 nan 0.000 0.451 354 K N 0.139 120.442 120.400 -0.162 0.000 2.026 354 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 354 K C 2.204 178.779 176.600 -0.042 0.000 1.048 354 K CA 1.714 57.934 56.287 -0.112 0.000 0.929 354 K CB -0.417 31.994 32.500 -0.149 0.000 0.713 354 K HN 0.507 nan 8.250 nan 0.000 0.439 355 N N 0.516 119.192 118.700 -0.040 0.000 2.104 355 N HA -0.222 4.518 4.740 -0.000 0.000 0.190 355 N C 1.724 177.331 175.510 0.163 0.000 1.024 355 N CA 1.213 54.308 53.050 0.074 0.000 0.853 355 N CB -0.123 38.450 38.487 0.144 0.000 1.008 355 N HN 0.421 nan 8.380 nan 0.000 0.424 356 W N 1.901 123.181 121.300 -0.032 0.000 2.355 356 W HA -0.118 4.542 4.660 0.000 0.000 0.309 356 W C 1.957 178.498 176.519 0.037 0.000 1.206 356 W CA 0.807 58.156 57.345 0.007 0.000 1.284 356 W CB -0.168 29.256 29.460 -0.059 0.000 1.145 356 W HN 0.108 nan 8.180 nan 0.000 0.502 357 R N 0.227 120.693 120.500 -0.057 0.000 2.092 357 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 357 R C 2.508 178.697 176.300 -0.185 0.000 1.119 357 R CA 1.449 57.428 56.100 -0.202 0.000 0.970 357 R CB -0.756 29.497 30.300 -0.079 0.000 0.864 357 R HN 0.151 nan 8.270 nan 0.000 0.440 358 A N 0.552 123.319 122.820 -0.087 0.000 1.933 358 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 358 A C 1.937 179.473 177.584 -0.081 0.000 1.175 358 A CA 1.137 53.135 52.037 -0.066 0.000 0.628 358 A CB -0.680 18.313 19.000 -0.012 0.000 0.814 358 A HN 0.442 nan 8.150 nan 0.000 0.444 359 Y N 0.771 120.952 120.300 -0.198 0.000 2.097 359 Y HA -0.232 4.318 4.550 0.000 0.000 0.282 359 Y C 1.954 177.634 175.900 -0.366 0.000 1.152 359 Y CA 2.033 59.980 58.100 -0.255 0.000 1.136 359 Y CB -0.507 37.802 38.460 -0.252 0.000 0.975 359 Y HN 0.218 nan 8.280 nan 0.000 0.498 360 L N -0.172 120.624 121.223 -0.711 0.000 2.042 360 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 360 L C 2.808 179.444 176.870 -0.391 0.000 1.076 360 L CA 1.250 55.667 54.840 -0.706 0.000 0.749 360 L CB -1.130 40.500 42.059 -0.716 0.000 0.893 360 L HN 0.369 nan 8.230 nan 0.000 0.432 361 A N 0.265 122.912 122.820 -0.287 0.000 1.933 361 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 361 A C 2.544 180.014 177.584 -0.190 0.000 1.175 361 A CA 2.005 53.932 52.037 -0.184 0.000 0.628 361 A CB -0.681 18.239 19.000 -0.132 0.000 0.814 361 A HN 0.548 nan 8.150 nan 0.000 0.444 362 S N 0.156 115.719 115.700 -0.229 0.000 2.382 362 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 362 S C 1.878 176.341 174.600 -0.228 0.000 1.027 362 S CA 1.456 59.540 58.200 -0.193 0.000 0.991 362 S CB -0.767 62.340 63.200 -0.155 0.000 0.823 362 S HN 0.474 nan 8.310 nan 0.000 0.469 363 L N 1.093 122.092 121.223 -0.374 0.000 2.027 363 L HA -0.046 4.294 4.340 -0.000 0.000 0.206 363 L C 2.926 179.692 176.870 -0.174 0.000 1.074 363 L CA 1.738 56.369 54.840 -0.348 0.000 0.745 363 L CB -0.695 40.910 42.059 -0.755 0.000 0.898 363 L HN 0.367 nan 8.230 nan 0.000 0.433 364 E N 0.036 120.125 120.200 -0.186 0.000 2.150 364 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 364 E C 1.169 177.702 176.600 -0.112 0.000 0.985 364 E CA 1.024 57.337 56.400 -0.145 0.000 0.814 364 E CB 0.009 29.632 29.700 -0.128 0.000 0.752 364 E HN 0.441 nan 8.360 nan 0.000 0.466 365 D N 0.751 121.087 120.400 -0.107 0.000 2.340 365 D HA 0.015 4.655 4.640 -0.000 0.000 0.220 365 D C -0.111 176.149 176.300 -0.067 0.000 1.039 365 D CA 0.310 54.261 54.000 -0.083 0.000 0.866 365 D CB 0.097 40.851 40.800 -0.077 0.000 0.913 365 D HN 0.047 nan 8.370 nan 0.000 0.523 366 K N 0.896 121.258 120.400 -0.064 0.000 2.485 366 K HA 0.004 4.324 4.320 -0.000 0.000 0.277 366 K C 1.104 177.678 176.600 -0.045 0.000 0.990 366 K CA 0.352 56.611 56.287 -0.045 0.000 0.994 366 K CB 0.824 33.306 32.500 -0.031 0.000 0.906 366 K HN -0.056 nan 8.250 nan 0.000 0.488 367 Q N 1.366 121.144 119.800 -0.036 0.000 2.245 367 Q HA 0.030 4.370 4.340 -0.000 0.000 0.236 367 Q C -0.189 175.795 176.000 -0.027 0.000 0.842 367 Q CA 0.616 56.398 55.803 -0.034 0.000 0.945 367 Q CB 0.909 29.629 28.738 -0.030 0.000 1.122 367 Q HN 0.799 nan 8.270 nan 0.000 0.506 368 E N -1.656 118.530 120.200 -0.023 0.000 2.407 368 E HA 0.597 4.947 4.350 -0.000 0.000 0.279 368 E C -0.268 176.323 176.600 -0.015 0.000 1.012 368 E CA -0.575 55.815 56.400 -0.018 0.000 0.800 368 E CB 1.837 31.529 29.700 -0.014 0.000 1.276 368 E HN 0.008 nan 8.360 nan 0.000 0.452 369 G N 0.705 109.497 108.800 -0.013 0.000 2.422 369 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.607 369 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.607 369 G C -2.958 171.934 174.900 -0.014 0.000 1.270 369 G CA -0.641 44.452 45.100 -0.012 0.000 0.992 369 G HN 0.527 nan 8.290 nan 0.000 0.499 370 P HA 0.375 nan 4.420 nan 0.000 0.263 370 P C 0.168 177.452 177.300 -0.026 0.000 1.195 370 P CA -0.332 62.757 63.100 -0.018 0.000 0.762 370 P CB 0.639 32.329 31.700 -0.018 0.000 0.799 371 L N 4.659 125.864 121.223 -0.030 0.000 2.455 371 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 371 L C 0.217 177.046 176.870 -0.068 0.000 1.174 371 L CA 0.895 55.709 54.840 -0.044 0.000 0.869 371 L CB -0.326 41.711 42.059 -0.037 0.000 1.130 371 L HN 0.401 nan 8.230 nan 0.000 0.474 372 Q N 3.171 122.910 119.800 -0.102 0.000 2.359 372 Q HA 0.572 4.912 4.340 -0.000 0.000 0.275 372 Q C 0.896 176.756 176.000 -0.233 0.000 1.082 372 Q CA -0.296 55.379 55.803 -0.213 0.000 0.849 372 Q CB 1.453 30.004 28.738 -0.312 0.000 1.377 372 Q HN 0.771 nan 8.270 nan 0.000 0.452 373 A N 0.392 123.023 122.820 -0.314 0.000 1.948 373 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 373 A C 1.444 178.927 177.584 -0.167 0.000 1.177 373 A CA 1.746 53.732 52.037 -0.084 0.000 0.636 373 A CB -0.788 18.135 19.000 -0.128 0.000 0.815 373 A HN 0.764 nan 8.150 nan 0.000 0.449 374 Y N 0.042 120.243 120.300 -0.164 0.000 2.165 374 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 374 Y C 2.574 178.233 175.900 -0.402 0.000 1.155 374 Y CA 1.570 59.373 58.100 -0.494 0.000 1.164 374 Y CB -1.095 37.107 38.460 -0.430 0.000 0.978 374 Y HN 0.381 nan 8.280 nan 0.000 0.513 375 Q N -0.211 119.526 119.800 -0.105 0.000 2.137 375 Q HA -0.051 4.289 4.340 -0.000 0.000 0.198 375 Q C 2.409 178.296 176.000 -0.189 0.000 0.960 375 Q CA 1.187 56.908 55.803 -0.136 0.000 0.847 375 Q CB -0.656 28.023 28.738 -0.098 0.000 0.915 375 Q HN 0.325 nan 8.270 nan 0.000 0.448 376 V N 0.835 120.664 119.914 -0.142 0.000 2.282 376 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 376 V C 2.079 178.066 176.094 -0.178 0.000 1.057 376 V CA 1.808 64.012 62.300 -0.160 0.000 1.032 376 V CB -0.632 31.140 31.823 -0.086 0.000 0.645 376 V HN 0.334 nan 8.190 nan 0.000 0.447 377 L N -0.450 120.741 121.223 -0.053 0.000 2.093 377 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 377 L C 2.800 179.571 176.870 -0.166 0.000 1.085 377 L CA 1.477 56.280 54.840 -0.063 0.000 0.755 377 L CB -0.665 41.373 42.059 -0.036 0.000 0.904 377 L HN 0.266 nan 8.230 nan 0.000 0.435 378 R N 0.897 121.272 120.500 -0.208 0.000 2.091 378 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 378 R C 2.144 178.287 176.300 -0.262 0.000 1.136 378 R CA 1.838 57.821 56.100 -0.194 0.000 0.959 378 R CB -0.359 29.835 30.300 -0.176 0.000 0.856 378 R HN 0.355 nan 8.270 nan 0.000 0.437 379 A N 0.389 122.949 122.820 -0.432 0.000 1.933 379 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 379 A C 2.453 179.637 177.584 -0.667 0.000 1.175 379 A CA 1.543 53.143 52.037 -0.729 0.000 0.628 379 A CB -0.510 17.658 19.000 -1.387 0.000 0.814 379 A HN 0.210 nan 8.150 nan 0.000 0.444 380 V N 1.011 120.633 119.914 -0.487 0.000 2.261 380 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 380 V C 2.338 178.357 176.094 -0.126 0.000 1.047 380 V CA 2.188 64.381 62.300 -0.179 0.000 1.015 380 V CB -1.010 30.695 31.823 -0.197 0.000 0.642 380 V HN 0.557 nan 8.190 nan 0.000 0.446 381 N N 0.314 118.936 118.700 -0.131 0.000 2.094 381 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 381 N C 1.778 177.277 175.510 -0.018 0.000 1.023 381 N CA 1.318 54.332 53.050 -0.061 0.000 0.857 381 N CB -0.369 38.077 38.487 -0.069 0.000 1.013 381 N HN 0.416 nan 8.380 nan 0.000 0.426 382 K N 0.876 121.244 120.400 -0.054 0.000 2.147 382 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 382 K C 1.915 178.542 176.600 0.044 0.000 1.049 382 K CA 0.703 56.977 56.287 -0.021 0.000 0.936 382 K CB -0.162 32.301 32.500 -0.061 0.000 0.722 382 K HN 0.490 nan 8.250 nan 0.000 0.446 383 I N -2.577 118.055 120.570 0.104 0.000 3.956 383 I HA 0.243 4.413 4.170 -0.000 0.000 0.333 383 I C 0.550 176.822 176.117 0.258 0.000 1.302 383 I CA -0.408 61.005 61.300 0.188 0.000 1.122 383 I CB 0.296 38.462 38.000 0.275 0.000 1.013 383 I HN -0.260 nan 8.210 nan 0.000 0.405 384 A N 2.225 125.192 122.820 0.245 0.000 2.409 384 A HA 0.346 4.666 4.320 -0.000 0.000 0.262 384 A C 0.309 178.012 177.584 0.198 0.000 1.113 384 A CA -0.317 51.908 52.037 0.313 0.000 0.790 384 A CB 0.151 19.300 19.000 0.248 0.000 1.046 384 A HN 0.428 nan 8.150 nan 0.000 0.496 385 E N 2.875 123.183 120.200 0.180 0.000 2.373 385 E HA 0.125 4.475 4.350 -0.000 0.000 0.263 385 E C -1.648 175.015 176.600 0.105 0.000 1.073 385 E CA -1.573 54.890 56.400 0.105 0.000 0.894 385 E CB 0.212 29.949 29.700 0.063 0.000 1.008 385 E HN 0.410 nan 8.360 nan 0.000 0.420 386 P HA -0.148 nan 4.420 nan 0.000 0.221 386 P C 0.284 177.627 177.300 0.073 0.000 1.145 386 P CA 1.272 64.416 63.100 0.072 0.000 0.795 386 P CB 0.116 31.846 31.700 0.050 0.000 0.775 387 D N -1.823 118.610 120.400 0.055 0.000 2.559 387 D HA 0.248 4.888 4.640 -0.000 0.000 0.234 387 D C 0.241 176.547 176.300 0.011 0.000 1.226 387 D CA -0.763 53.257 54.000 0.033 0.000 0.830 387 D CB -0.722 40.086 40.800 0.013 0.000 1.028 387 D HN -0.027 nan 8.370 nan 0.000 0.492 388 A N 0.532 123.378 122.820 0.042 0.000 2.520 388 A HA 0.392 4.712 4.320 -0.000 0.000 0.235 388 A C 0.195 177.716 177.584 -0.105 0.000 1.065 388 A CA -0.043 51.969 52.037 -0.041 0.000 0.764 388 A CB 0.118 19.117 19.000 -0.002 0.000 1.002 388 A HN 0.397 nan 8.150 nan 0.000 0.502 389 I N 1.162 121.619 120.570 -0.188 0.000 2.404 389 I HA 0.338 4.508 4.170 -0.000 0.000 0.293 389 I C -1.229 174.797 176.117 -0.151 0.000 0.992 389 I CA -0.281 60.957 61.300 -0.104 0.000 1.149 389 I CB 1.396 39.327 38.000 -0.115 0.000 1.315 389 I HN 0.591 nan 8.210 nan 0.000 0.446 390 Y N 3.960 124.369 120.300 0.183 0.000 2.328 390 Y HA 0.369 4.919 4.550 -0.000 0.000 0.337 390 Y C 0.418 176.420 175.900 0.169 0.000 0.966 390 Y CA -0.650 57.579 58.100 0.214 0.000 1.136 390 Y CB 1.918 40.481 38.460 0.172 0.000 1.170 390 Y HN 0.405 nan 8.280 nan 0.000 0.470 391 S N 5.033 120.896 115.700 0.271 0.000 2.422 391 S HA 0.652 5.122 4.470 -0.000 0.000 0.308 391 S C -0.731 173.990 174.600 0.201 0.000 1.097 391 S CA -0.440 57.874 58.200 0.190 0.000 1.099 391 S CB -0.278 62.997 63.200 0.125 0.000 0.976 391 S HN 0.571 nan 8.310 nan 0.000 0.471 392 I N 4.263 124.940 120.570 0.179 0.000 2.404 392 I HA 0.355 4.525 4.170 -0.000 0.000 0.293 392 I C 0.729 176.901 176.117 0.092 0.000 0.992 392 I CA -0.799 60.592 61.300 0.152 0.000 1.149 392 I CB 1.560 39.673 38.000 0.188 0.000 1.315 392 I HN 0.607 nan 8.210 nan 0.000 0.446 393 D N 3.840 124.270 120.400 0.051 0.000 2.315 393 D HA 0.323 4.963 4.640 -0.000 0.000 0.275 393 D C -0.850 175.427 176.300 -0.039 0.000 1.218 393 D CA 0.033 54.039 54.000 0.011 0.000 1.040 393 D CB 1.455 42.258 40.800 0.006 0.000 1.123 393 D HN 0.094 nan 8.370 nan 0.000 0.541 394 V N -0.381 119.483 119.914 -0.083 0.000 2.540 394 V HA 0.672 4.792 4.120 -0.000 0.000 0.302 394 V C 0.713 176.646 176.094 -0.268 0.000 1.035 394 V CA 0.270 62.461 62.300 -0.182 0.000 0.873 394 V CB 0.860 32.597 31.823 -0.143 0.000 0.992 394 V HN 0.907 nan 8.190 nan 0.000 0.428 395 G N 3.717 112.193 108.800 -0.539 0.000 2.291 395 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.249 395 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.249 395 G C -0.056 174.484 174.900 -0.599 0.000 1.340 395 G CA 0.033 44.798 45.100 -0.559 0.000 1.017 395 G HN 0.448 nan 8.290 nan 0.000 0.470 396 D N -0.462 119.904 120.400 -0.057 0.000 2.203 396 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 396 D C 2.382 178.591 176.300 -0.152 0.000 0.997 396 D CA 1.420 55.473 54.000 0.087 0.000 0.863 396 D CB -0.035 40.840 40.800 0.125 0.000 0.928 396 D HN 0.332 nan 8.370 nan 0.000 0.458 397 I N 1.256 121.659 120.570 -0.278 0.000 2.264 397 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 397 I C 1.361 177.315 176.117 -0.272 0.000 1.111 397 I CA 1.403 62.483 61.300 -0.367 0.000 1.382 397 I CB -0.335 37.430 38.000 -0.392 0.000 1.060 397 I HN -0.017 nan 8.210 nan 0.000 0.418 398 N N 0.274 118.780 118.700 -0.322 0.000 2.069 398 N HA -0.231 4.509 4.740 -0.000 0.000 0.191 398 N C 1.939 177.195 175.510 -0.422 0.000 1.031 398 N CA 1.828 54.648 53.050 -0.384 0.000 0.852 398 N CB -0.464 37.694 38.487 -0.549 0.000 1.018 398 N HN 0.462 nan 8.380 nan 0.000 0.423 399 L N 0.797 121.852 121.223 -0.281 0.000 2.017 399 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 399 L C 1.587 178.443 176.870 -0.024 0.000 1.073 399 L CA 1.447 56.243 54.840 -0.073 0.000 0.745 399 L CB -0.242 41.940 42.059 0.204 0.000 0.894 399 L HN 0.199 nan 8.230 nan 0.000 0.432 400 N N 0.500 119.194 118.700 -0.010 0.000 2.142 400 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 400 N C 1.838 177.388 175.510 0.066 0.000 1.023 400 N CA 1.567 54.672 53.050 0.091 0.000 0.852 400 N CB -0.453 38.047 38.487 0.023 0.000 0.998 400 N HN 0.516 nan 8.380 nan 0.000 0.424 401 A N 1.234 124.017 122.820 -0.062 0.000 1.902 401 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 401 A C 2.150 179.699 177.584 -0.060 0.000 1.181 401 A CA 1.723 53.717 52.037 -0.072 0.000 0.623 401 A CB -0.815 18.135 19.000 -0.083 0.000 0.818 401 A HN 0.342 nan 8.150 nan 0.000 0.443 402 N N -0.302 118.375 118.700 -0.037 0.000 2.149 402 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 402 N C 1.842 177.360 175.510 0.013 0.000 1.019 402 N CA 1.900 54.965 53.050 0.024 0.000 0.857 402 N CB -0.235 38.230 38.487 -0.037 0.000 0.997 402 N HN 0.543 nan 8.380 nan 0.000 0.426 403 R N -1.547 118.922 120.500 -0.052 0.000 2.075 403 R HA 0.060 4.400 4.340 -0.000 0.000 0.226 403 R C 1.566 177.674 176.300 -0.321 0.000 1.114 403 R CA 1.070 57.065 56.100 -0.175 0.000 0.972 403 R CB -0.186 29.918 30.300 -0.326 0.000 0.869 403 R HN 0.482 nan 8.270 nan 0.000 0.437 404 H N -0.108 118.930 119.070 -0.053 0.000 2.553 404 H HA 0.189 4.745 4.556 -0.000 0.000 0.276 404 H C 0.586 175.841 175.328 -0.121 0.000 0.979 404 H CA 0.021 56.014 56.048 -0.091 0.000 1.268 404 H CB 0.377 30.096 29.762 -0.073 0.000 1.450 404 H HN 0.012 nan 8.280 nan 0.000 0.527 405 L N 2.532 123.712 121.223 -0.073 0.000 2.455 405 L HA 0.023 4.363 4.340 -0.000 0.000 0.272 405 L C 0.292 177.077 176.870 -0.142 0.000 1.174 405 L CA 0.368 55.086 54.840 -0.204 0.000 0.869 405 L CB 0.499 42.295 42.059 -0.439 0.000 1.130 405 L HN -0.096 nan 8.230 nan 0.000 0.474 406 K N 5.910 126.245 120.400 -0.108 0.000 2.244 406 K HA 0.450 4.770 4.320 -0.000 0.000 0.263 406 K C -0.759 175.813 176.600 -0.047 0.000 1.103 406 K CA -0.155 56.100 56.287 -0.054 0.000 0.966 406 K CB 0.523 33.008 32.500 -0.024 0.000 1.429 406 K HN 0.445 nan 8.250 nan 0.000 0.434 407 L N 1.569 122.754 121.223 -0.063 0.000 2.352 407 L HA 0.518 4.858 4.340 -0.000 0.000 0.269 407 L C 0.663 177.526 176.870 -0.011 0.000 1.034 407 L CA -0.728 54.090 54.840 -0.036 0.000 0.806 407 L CB 1.702 43.711 42.059 -0.084 0.000 1.244 407 L HN 0.579 nan 8.230 nan 0.000 0.447 408 T N -2.965 111.601 114.554 0.019 0.000 2.838 408 T HA 0.413 4.763 4.350 -0.000 0.000 0.292 408 T C -2.408 172.305 174.700 0.022 0.000 1.113 408 T CA -1.816 60.291 62.100 0.012 0.000 1.008 408 T CB 1.839 70.720 68.868 0.021 0.000 1.259 408 T HN 0.214 nan 8.240 nan 0.000 0.520 409 P HA -0.049 nan 4.420 nan 0.000 0.219 409 P C 1.409 178.723 177.300 0.024 0.000 1.144 409 P CA 0.982 64.088 63.100 0.011 0.000 0.806 409 P CB -0.099 31.596 31.700 -0.008 0.000 0.771 410 S N -1.643 114.074 115.700 0.029 0.000 2.481 410 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 410 S C 0.815 175.438 174.600 0.039 0.000 0.996 410 S CA 0.477 58.696 58.200 0.030 0.000 0.942 410 S CB -0.811 62.408 63.200 0.033 0.000 0.768 410 S HN 0.352 nan 8.310 nan 0.000 0.520 411 N N 1.053 119.796 118.700 0.072 0.000 2.463 411 N HA 0.357 5.097 4.740 -0.000 0.000 0.270 411 N C -0.218 175.354 175.510 0.104 0.000 1.205 411 N CA -0.391 52.730 53.050 0.119 0.000 0.974 411 N CB 0.567 39.181 38.487 0.212 0.000 1.197 411 N HN -0.056 nan 8.380 nan 0.000 0.504 412 R N 0.726 121.294 120.500 0.113 0.000 2.670 412 R HA 0.369 4.709 4.340 -0.000 0.000 0.289 412 R C -1.078 175.386 176.300 0.275 0.000 0.965 412 R CA -0.808 55.358 56.100 0.110 0.000 0.899 412 R CB 1.061 31.341 30.300 -0.033 0.000 1.173 412 R HN 0.892 nan 8.270 nan 0.000 0.456 413 H N -0.143 118.986 119.070 0.099 0.000 2.771 413 H HA 0.741 5.297 4.556 -0.000 0.000 0.361 413 H C -0.359 174.993 175.328 0.041 0.000 1.108 413 H CA -1.005 55.114 56.048 0.119 0.000 1.201 413 H CB 1.566 31.385 29.762 0.095 0.000 1.681 413 H HN 0.568 nan 8.280 nan 0.000 0.534 414 I N 0.161 120.749 120.570 0.029 0.000 2.828 414 I HA 0.831 5.000 4.170 -0.000 0.000 0.302 414 I C -0.817 175.320 176.117 0.033 0.000 1.101 414 I CA -0.833 60.437 61.300 -0.051 0.000 1.031 414 I CB 2.547 40.541 38.000 -0.010 0.000 1.231 414 I HN 0.777 nan 8.210 nan 0.000 0.427 415 T N 1.069 115.624 114.554 0.001 0.000 2.645 415 T HA 0.323 4.673 4.350 -0.000 0.000 0.300 415 T C -1.070 173.651 174.700 0.036 0.000 1.210 415 T CA -0.418 61.715 62.100 0.055 0.000 1.034 415 T CB 1.780 70.726 68.868 0.130 0.000 1.537 415 T HN 0.762 nan 8.240 nan 0.000 0.492 416 S N 1.661 117.397 115.700 0.060 0.000 2.642 416 S HA 0.250 4.720 4.470 -0.000 0.000 0.309 416 S C 0.979 175.635 174.600 0.094 0.000 1.125 416 S CA -0.596 57.651 58.200 0.079 0.000 1.055 416 S CB -0.723 62.540 63.200 0.105 0.000 1.157 416 S HN 0.535 nan 8.310 nan 0.000 0.513 417 N N 3.545 122.288 118.700 0.072 0.000 2.120 417 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 417 N C 1.211 176.802 175.510 0.135 0.000 1.024 417 N CA 1.152 54.260 53.050 0.096 0.000 0.852 417 N CB -0.223 38.288 38.487 0.040 0.000 1.003 417 N HN 0.582 nan 8.380 nan 0.000 0.424 418 L N -1.727 119.575 121.223 0.131 0.000 2.586 418 L HA 0.308 4.648 4.340 -0.000 0.000 0.204 418 L C 1.558 178.537 176.870 0.182 0.000 1.053 418 L CA 0.425 55.346 54.840 0.135 0.000 0.856 418 L CB -0.629 41.505 42.059 0.125 0.000 1.192 418 L HN -0.097 nan 8.230 nan 0.000 0.484 419 F N 2.099 122.077 119.950 0.047 0.000 2.234 419 F HA 0.203 4.730 4.527 -0.000 0.000 0.299 419 F C 1.620 177.440 175.800 0.033 0.000 1.087 419 F CA 0.767 58.795 58.000 0.047 0.000 1.340 419 F CB -0.353 38.691 39.000 0.073 0.000 1.031 419 F HN 0.232 nan 8.300 nan 0.000 0.500 420 A N 0.859 123.732 122.820 0.088 0.000 2.687 420 A HA -0.250 4.070 4.320 -0.000 0.000 0.299 420 A C 0.769 178.275 177.584 -0.129 0.000 1.497 420 A CA 0.928 52.955 52.037 -0.017 0.000 0.751 420 A CB -2.674 16.312 19.000 -0.023 0.000 1.048 420 A HN 0.437 nan 8.150 nan 0.000 0.464 421 T N 0.729 115.241 114.554 -0.069 0.000 2.834 421 T HA 0.490 4.840 4.350 -0.000 0.000 0.298 421 T C 0.756 175.430 174.700 -0.043 0.000 0.966 421 T CA 0.028 62.077 62.100 -0.085 0.000 1.141 421 T CB -0.173 68.756 68.868 0.102 0.000 0.905 421 T HN 0.457 nan 8.240 nan 0.000 0.535 422 M N 3.855 123.410 119.600 -0.076 0.000 2.240 422 M HA 0.315 4.795 4.480 -0.000 0.000 0.317 422 M C 1.705 177.988 176.300 -0.030 0.000 1.087 422 M CA 1.347 56.618 55.300 -0.049 0.000 1.176 422 M CB 0.285 32.855 32.600 -0.050 0.000 1.439 422 M HN 0.991 nan 8.290 nan 0.000 0.452 423 G N -0.167 108.622 108.800 -0.018 0.000 2.213 423 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.236 423 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.236 423 G C 0.499 175.387 174.900 -0.021 0.000 0.991 423 G CA 0.356 45.440 45.100 -0.026 0.000 0.629 423 G HN 0.834 nan 8.290 nan 0.000 0.517 424 V N -0.239 119.672 119.914 -0.005 0.000 2.970 424 V HA 0.324 4.444 4.120 -0.000 0.000 0.260 424 V C 2.620 178.721 176.094 0.011 0.000 1.100 424 V CA 1.981 64.283 62.300 0.003 0.000 1.122 424 V CB -1.092 30.744 31.823 0.022 0.000 0.721 424 V HN 0.985 nan 8.190 nan 0.000 0.483 425 G N 1.178 109.990 108.800 0.021 0.000 2.514 425 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 425 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 425 G C 1.488 176.409 174.900 0.034 0.000 1.198 425 G CA 1.595 46.721 45.100 0.043 0.000 0.780 425 G HN 0.533 nan 8.290 nan 0.000 0.565 426 I N 1.835 122.413 120.570 0.013 0.000 2.113 426 I HA -0.119 4.051 4.170 -0.000 0.000 0.238 426 I C 0.004 176.115 176.117 -0.010 0.000 1.070 426 I CA 1.305 62.608 61.300 0.006 0.000 1.332 426 I CB -0.817 37.184 38.000 0.000 0.000 1.044 426 I HN 0.191 nan 8.210 nan 0.000 0.402 427 P HA -0.137 nan 4.420 nan 0.000 0.215 427 P C 1.621 178.886 177.300 -0.058 0.000 1.153 427 P CA 1.946 64.996 63.100 -0.084 0.000 0.853 427 P CB -0.368 31.258 31.700 -0.124 0.000 0.788 428 G N 0.173 108.963 108.800 -0.017 0.000 2.450 428 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 428 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 428 G C 1.700 176.626 174.900 0.044 0.000 1.130 428 G CA 1.007 46.118 45.100 0.019 0.000 0.760 428 G HN 0.376 nan 8.290 nan 0.000 0.557 429 A N 0.442 123.286 122.820 0.040 0.000 1.930 429 A HA 0.211 4.531 4.320 -0.000 0.000 0.215 429 A C 2.354 179.958 177.584 0.033 0.000 1.176 429 A CA 0.833 52.897 52.037 0.045 0.000 0.632 429 A CB -0.232 18.794 19.000 0.043 0.000 0.819 429 A HN 0.349 nan 8.150 nan 0.000 0.445 430 I N -0.038 120.543 120.570 0.019 0.000 2.127 430 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 430 I C 2.992 179.133 176.117 0.039 0.000 1.075 430 I CA 1.239 62.551 61.300 0.020 0.000 1.334 430 I CB -0.313 37.691 38.000 0.006 0.000 1.040 430 I HN 0.353 nan 8.210 nan 0.000 0.405 431 A N 0.579 123.434 122.820 0.058 0.000 1.902 431 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 431 A C 2.524 180.193 177.584 0.142 0.000 1.181 431 A CA 1.893 54.012 52.037 0.136 0.000 0.623 431 A CB -0.878 18.203 19.000 0.135 0.000 0.818 431 A HN 0.455 nan 8.150 nan 0.000 0.443 432 A N -0.254 122.647 122.820 0.136 0.000 1.877 432 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 432 A C 2.091 179.794 177.584 0.199 0.000 1.186 432 A CA 2.379 54.538 52.037 0.203 0.000 0.620 432 A CB -0.390 18.684 19.000 0.123 0.000 0.822 432 A HN 0.424 nan 8.150 nan 0.000 0.443 433 K N -0.087 120.366 120.400 0.088 0.000 2.155 433 K HA 0.095 4.415 4.320 -0.000 0.000 0.203 433 K C 1.697 178.301 176.600 0.007 0.000 1.052 433 K CA 1.044 57.361 56.287 0.050 0.000 0.948 433 K CB -0.544 31.965 32.500 0.014 0.000 0.728 433 K HN 0.467 nan 8.250 nan 0.000 0.448 434 L N 0.635 121.825 121.223 -0.055 0.000 2.046 434 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 434 L C 1.830 178.617 176.870 -0.139 0.000 1.077 434 L CA 1.236 55.961 54.840 -0.192 0.000 0.747 434 L CB -0.411 41.342 42.059 -0.510 0.000 0.896 434 L HN 0.246 nan 8.230 nan 0.000 0.432 435 N N -1.089 117.569 118.700 -0.069 0.000 2.416 435 N HA -0.065 4.675 4.740 -0.000 0.000 0.177 435 N C -0.198 175.007 175.510 -0.507 0.000 1.036 435 N CA 0.898 53.801 53.050 -0.244 0.000 0.901 435 N CB 0.343 38.668 38.487 -0.270 0.000 0.976 435 N HN 0.328 nan 8.380 nan 0.000 0.444 436 Y N -0.122 120.189 120.300 0.019 0.000 2.490 436 Y HA 0.313 4.862 4.550 -0.000 0.000 0.346 436 Y C -1.805 174.089 175.900 -0.011 0.000 1.023 436 Y CA -1.625 56.481 58.100 0.010 0.000 1.142 436 Y CB 1.354 39.823 38.460 0.015 0.000 1.126 436 Y HN -0.039 nan 8.280 nan 0.000 0.647 437 P HA -0.151 nan 4.420 nan 0.000 0.220 437 P C 0.781 178.098 177.300 0.028 0.000 1.148 437 P CA 1.494 64.612 63.100 0.031 0.000 0.803 437 P CB 0.604 32.304 31.700 0.001 0.000 0.782 438 E N -0.706 119.523 120.200 0.048 0.000 2.489 438 E HA 0.077 4.427 4.350 -0.000 0.000 0.193 438 E C 0.820 177.438 176.600 0.029 0.000 1.057 438 E CA 0.195 56.613 56.400 0.030 0.000 0.866 438 E CB 0.076 29.798 29.700 0.037 0.000 0.916 438 E HN 0.379 nan 8.360 nan 0.000 0.500 439 R N 0.976 121.507 120.500 0.051 0.000 2.540 439 R HA 0.256 4.596 4.340 -0.000 0.000 0.287 439 R C 0.336 176.610 176.300 -0.044 0.000 0.980 439 R CA -0.478 55.629 56.100 0.011 0.000 0.966 439 R CB 1.432 31.737 30.300 0.010 0.000 1.106 439 R HN 0.058 nan 8.270 nan 0.000 0.480 440 Q N 1.820 121.569 119.800 -0.086 0.000 2.337 440 Q HA 0.187 4.527 4.340 -0.000 0.000 0.270 440 Q C -1.110 174.750 176.000 -0.233 0.000 1.002 440 Q CA 0.088 55.782 55.803 -0.181 0.000 0.888 440 Q CB 0.954 29.588 28.738 -0.173 0.000 1.222 440 Q HN 0.285 nan 8.270 nan 0.000 0.400 441 V N 5.312 125.032 119.914 -0.324 0.000 2.531 441 V HA 0.448 4.568 4.120 -0.000 0.000 0.301 441 V C -0.989 174.874 176.094 -0.386 0.000 1.034 441 V CA -0.622 61.529 62.300 -0.248 0.000 0.865 441 V CB 1.343 33.104 31.823 -0.103 0.000 0.995 441 V HN 0.640 nan 8.190 nan 0.000 0.424 442 F N 2.814 122.676 119.950 -0.145 0.000 2.480 442 F HA 0.541 5.068 4.527 -0.000 0.000 0.329 442 F C 0.321 176.153 175.800 0.054 0.000 1.091 442 F CA -0.559 57.426 58.000 -0.025 0.000 0.972 442 F CB 1.766 40.777 39.000 0.018 0.000 1.150 442 F HN 0.509 nan 8.300 nan 0.000 0.467 443 N N 3.784 122.639 118.700 0.259 0.000 2.476 443 N HA 0.414 5.154 4.740 -0.000 0.000 0.257 443 N C -1.822 173.841 175.510 0.255 0.000 0.970 443 N CA -0.309 52.863 53.050 0.203 0.000 0.938 443 N CB 0.611 39.162 38.487 0.107 0.000 1.144 443 N HN 0.585 nan 8.380 nan 0.000 0.500 444 L N 2.518 123.905 121.223 0.272 0.000 2.294 444 L HA 0.835 5.175 4.340 -0.000 0.000 0.283 444 L C -0.316 176.673 176.870 0.198 0.000 1.015 444 L CA -0.859 54.171 54.840 0.316 0.000 0.831 444 L CB 1.207 43.444 42.059 0.297 0.000 1.217 444 L HN 0.642 nan 8.230 nan 0.000 0.420 445 A N 2.299 125.261 122.820 0.237 0.000 2.520 445 A HA 0.797 5.117 4.320 -0.000 0.000 0.298 445 A C -0.108 177.575 177.584 0.166 0.000 1.051 445 A CA -0.333 51.771 52.037 0.112 0.000 0.690 445 A CB 1.559 20.580 19.000 0.034 0.000 1.281 445 A HN 0.681 nan 8.150 nan 0.000 0.402 446 G N 0.171 109.018 108.800 0.078 0.000 2.634 446 G HA2 0.384 4.344 3.960 -0.000 0.000 0.255 446 G HA3 0.384 4.344 3.960 -0.000 0.000 0.255 446 G C 0.424 175.371 174.900 0.079 0.000 1.205 446 G CA 0.415 45.587 45.100 0.120 0.000 0.884 446 G HN 0.839 nan 8.290 nan 0.000 0.549 447 D N -0.321 120.160 120.400 0.134 0.000 2.144 447 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 447 D C 2.206 178.662 176.300 0.259 0.000 0.978 447 D CA 1.375 55.482 54.000 0.179 0.000 0.833 447 D CB -0.939 40.075 40.800 0.358 0.000 0.961 447 D HN 0.469 nan 8.370 nan 0.000 0.470 448 G N 0.506 109.492 108.800 0.310 0.000 2.433 448 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 448 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 448 G C 1.739 176.788 174.900 0.248 0.000 1.186 448 G CA 1.028 46.344 45.100 0.361 0.000 0.779 448 G HN 0.489 nan 8.290 nan 0.000 0.543 449 G N 0.978 109.880 108.800 0.170 0.000 2.402 449 G HA2 0.091 4.051 3.960 -0.000 0.000 0.216 449 G HA3 0.091 4.051 3.960 -0.000 0.000 0.216 449 G C 2.077 177.006 174.900 0.048 0.000 1.162 449 G CA 1.495 46.641 45.100 0.077 0.000 0.777 449 G HN 0.648 nan 8.290 nan 0.000 0.539 450 A N 0.880 123.708 122.820 0.013 0.000 1.940 450 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 450 A C 2.683 180.364 177.584 0.160 0.000 1.176 450 A CA 2.270 54.279 52.037 -0.047 0.000 0.631 450 A CB -0.662 18.085 19.000 -0.420 0.000 0.814 450 A HN 0.305 nan 8.150 nan 0.000 0.446 451 S N -0.408 115.473 115.700 0.301 0.000 2.370 451 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 451 S C 1.968 176.635 174.600 0.111 0.000 1.033 451 S CA 1.885 60.254 58.200 0.281 0.000 1.011 451 S CB -0.417 62.883 63.200 0.166 0.000 0.852 451 S HN 0.608 nan 8.310 nan 0.000 0.457 452 M N 0.822 120.459 119.600 0.062 0.000 2.213 452 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 452 M C 1.578 177.839 176.300 -0.066 0.000 1.062 452 M CA 1.395 56.687 55.300 -0.013 0.000 1.105 452 M CB -0.477 32.105 32.600 -0.030 0.000 1.385 452 M HN 0.422 nan 8.290 nan 0.000 0.417 453 T N -3.322 111.213 114.554 -0.032 0.000 3.200 453 T HA 0.269 4.619 4.350 -0.000 0.000 0.284 453 T C 1.179 175.884 174.700 0.008 0.000 1.009 453 T CA -0.380 61.684 62.100 -0.061 0.000 0.907 453 T CB -0.395 68.427 68.868 -0.076 0.000 1.120 453 T HN 0.424 nan 8.240 nan 0.000 0.534 454 M N 1.286 120.928 119.600 0.069 0.000 2.144 454 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 454 M C 2.340 178.681 176.300 0.068 0.000 1.067 454 M CA 1.929 57.307 55.300 0.130 0.000 1.095 454 M CB -0.815 31.915 32.600 0.216 0.000 1.365 454 M HN 0.240 nan 8.290 nan 0.000 0.406 455 Q N 1.038 120.861 119.800 0.038 0.000 2.181 455 Q HA -0.217 4.123 4.340 -0.000 0.000 0.205 455 Q C 0.766 176.785 176.000 0.031 0.000 0.980 455 Q CA 2.115 57.936 55.803 0.030 0.000 0.862 455 Q CB -1.231 27.532 28.738 0.042 0.000 0.905 455 Q HN 0.680 nan 8.270 nan 0.000 0.429 456 D N 0.636 121.054 120.400 0.030 0.000 2.336 456 D HA 0.095 4.735 4.640 -0.000 0.000 0.229 456 D C 1.733 178.051 176.300 0.030 0.000 1.061 456 D CA 0.002 54.021 54.000 0.031 0.000 0.875 456 D CB 0.180 40.990 40.800 0.017 0.000 0.904 456 D HN 0.292 nan 8.370 nan 0.000 0.525 457 L N 0.828 122.070 121.223 0.032 0.000 2.127 457 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 457 L C 2.611 179.488 176.870 0.011 0.000 1.089 457 L CA 0.883 55.739 54.840 0.027 0.000 0.757 457 L CB -0.314 41.769 42.059 0.039 0.000 0.899 457 L HN 0.017 nan 8.230 nan 0.000 0.434 458 A N -0.578 122.245 122.820 0.007 0.000 1.969 458 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 458 A C 2.336 179.923 177.584 0.004 0.000 1.169 458 A CA 2.076 54.108 52.037 -0.008 0.000 0.635 458 A CB -0.699 18.296 19.000 -0.009 0.000 0.810 458 A HN 0.386 nan 8.150 nan 0.000 0.445 459 T N 0.189 114.773 114.554 0.051 0.000 2.777 459 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 459 T C 2.015 176.802 174.700 0.146 0.000 1.040 459 T CA 1.664 63.845 62.100 0.135 0.000 1.141 459 T CB -0.257 68.694 68.868 0.139 0.000 0.868 459 T HN 0.651 nan 8.240 nan 0.000 0.444 460 Q N 0.384 120.225 119.800 0.068 0.000 2.084 460 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 460 Q C 2.578 178.570 176.000 -0.013 0.000 0.978 460 Q CA 1.188 57.018 55.803 0.045 0.000 0.844 460 Q CB -0.479 28.272 28.738 0.022 0.000 0.898 460 Q HN 0.355 nan 8.270 nan 0.000 0.426 461 V N 0.935 120.813 119.914 -0.059 0.000 2.295 461 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 461 V C 2.330 178.211 176.094 -0.355 0.000 1.049 461 V CA 2.216 64.421 62.300 -0.159 0.000 1.024 461 V CB -0.688 31.081 31.823 -0.091 0.000 0.648 461 V HN 0.398 nan 8.190 nan 0.000 0.447 462 Q N -0.674 118.960 119.800 -0.277 0.000 2.096 462 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 462 Q C 1.723 177.352 176.000 -0.617 0.000 0.982 462 Q CA 2.153 57.682 55.803 -0.458 0.000 0.850 462 Q CB -0.119 28.337 28.738 -0.469 0.000 0.901 462 Q HN 0.770 nan 8.270 nan 0.000 0.422 463 Y N -0.735 119.485 120.300 -0.133 0.000 2.493 463 Y HA 0.168 4.718 4.550 -0.000 0.000 0.275 463 Y C -0.567 175.362 175.900 0.049 0.000 1.183 463 Y CA 0.093 58.179 58.100 -0.024 0.000 1.258 463 Y CB -0.018 38.422 38.460 -0.033 0.000 1.108 463 Y HN 0.226 nan 8.280 nan 0.000 0.521 464 H N -0.563 118.540 119.070 0.055 0.000 2.604 464 H HA -0.172 4.384 4.556 -0.000 0.000 0.321 464 H C -0.850 174.507 175.328 0.048 0.000 1.132 464 H CA 0.288 56.360 56.048 0.041 0.000 1.129 464 H CB -1.925 27.853 29.762 0.027 0.000 1.526 464 H HN 0.302 nan 8.280 nan 0.000 0.415 465 L N 1.550 122.832 121.223 0.098 0.000 2.259 465 L HA 0.300 4.640 4.340 -0.000 0.000 0.288 465 L C -1.832 175.056 176.870 0.030 0.000 1.051 465 L CA -1.949 52.928 54.840 0.062 0.000 0.824 465 L CB 0.983 43.072 42.059 0.051 0.000 1.206 465 L HN -0.006 nan 8.230 nan 0.000 0.429 466 P HA 0.072 nan 4.420 nan 0.000 0.230 466 P C -0.145 177.115 177.300 -0.068 0.000 1.791 466 P CA -0.010 63.080 63.100 -0.017 0.000 1.020 466 P CB 0.057 31.741 31.700 -0.027 0.000 1.977 467 V N 2.854 122.735 119.914 -0.056 0.000 2.686 467 V HA 0.143 4.263 4.120 -0.000 0.000 0.295 467 V C 0.953 176.983 176.094 -0.107 0.000 1.055 467 V CA -0.276 61.972 62.300 -0.087 0.000 1.050 467 V CB 0.955 32.758 31.823 -0.034 0.000 0.984 467 V HN 0.250 nan 8.190 nan 0.000 0.482 468 I N 5.148 125.602 120.570 -0.193 0.000 2.287 468 I HA 0.263 4.433 4.170 -0.000 0.000 0.290 468 I C 0.221 176.343 176.117 0.008 0.000 1.069 468 I CA -0.090 61.121 61.300 -0.148 0.000 1.237 468 I CB 0.106 37.901 38.000 -0.341 0.000 1.418 468 I HN 0.598 nan 8.210 nan 0.000 0.481 469 N N 6.330 125.043 118.700 0.021 0.000 2.472 469 N HA 0.337 5.077 4.740 -0.000 0.000 0.277 469 N C -0.775 174.764 175.510 0.047 0.000 1.081 469 N CA -0.240 52.840 53.050 0.051 0.000 0.973 469 N CB 2.647 41.143 38.487 0.015 0.000 1.105 469 N HN 0.194 nan 8.380 nan 0.000 0.470 470 V N 2.771 122.742 119.914 0.095 0.000 2.409 470 V HA 0.239 4.359 4.120 -0.000 0.000 0.290 470 V C 0.029 176.112 176.094 -0.018 0.000 1.017 470 V CA -0.820 61.493 62.300 0.021 0.000 0.841 470 V CB 1.756 33.655 31.823 0.127 0.000 1.003 470 V HN 0.293 nan 8.190 nan 0.000 0.426 471 V N 5.234 125.055 119.914 -0.156 0.000 2.407 471 V HA 0.460 4.580 4.120 -0.000 0.000 0.278 471 V C -0.450 175.531 176.094 -0.189 0.000 1.037 471 V CA -0.371 61.828 62.300 -0.169 0.000 0.900 471 V CB 1.323 32.883 31.823 -0.438 0.000 0.983 471 V HN 0.667 nan 8.190 nan 0.000 0.459 472 F N 2.378 122.292 119.950 -0.060 0.000 2.334 472 F HA 0.344 4.871 4.527 0.000 0.000 0.365 472 F C 0.997 176.793 175.800 -0.007 0.000 1.124 472 F CA -0.291 57.695 58.000 -0.022 0.000 1.166 472 F CB 0.891 39.879 39.000 -0.021 0.000 1.355 472 F HN 0.348 nan 8.300 nan 0.000 0.532 473 T N 3.204 117.820 114.554 0.105 0.000 2.811 473 T HA 0.112 4.462 4.350 -0.000 0.000 0.309 473 T C 0.906 175.644 174.700 0.064 0.000 1.005 473 T CA -0.519 61.650 62.100 0.116 0.000 0.955 473 T CB 0.008 68.958 68.868 0.138 0.000 0.970 473 T HN 0.520 nan 8.240 nan 0.000 0.496 474 N N 0.315 119.036 118.700 0.035 0.000 2.205 474 N HA 0.044 4.784 4.740 -0.000 0.000 0.201 474 N C 0.485 175.893 175.510 -0.170 0.000 1.128 474 N CA -0.493 52.526 53.050 -0.051 0.000 0.867 474 N CB -0.587 37.871 38.487 -0.049 0.000 0.996 474 N HN 0.549 nan 8.380 nan 0.000 0.503 475 C N 0.561 119.747 119.300 -0.191 0.000 4.356 475 C HA -0.162 4.298 4.460 -0.000 0.000 0.296 475 C C -0.273 174.007 174.990 -1.182 0.000 1.424 475 C CA 0.494 59.228 59.018 -0.473 0.000 2.000 475 C CB -2.923 24.672 27.740 -0.243 0.000 1.262 475 C HN 0.616 nan 8.230 nan 0.000 0.789 476 Q N -2.512 116.637 119.800 -1.084 0.000 2.462 476 Q HA 0.500 4.840 4.340 -0.000 0.000 0.285 476 Q C -1.116 174.597 176.000 -0.479 0.000 1.035 476 Q CA -0.764 54.480 55.803 -0.931 0.000 0.799 476 Q CB 1.351 29.845 28.738 -0.407 0.000 1.452 476 Q HN 0.313 nan 8.270 nan 0.000 0.404 477 Y N 0.858 121.160 120.300 0.004 0.000 2.714 477 Y HA 0.216 4.766 4.550 -0.000 0.000 0.333 477 Y C 1.274 177.221 175.900 0.078 0.000 1.220 477 Y CA -0.262 57.944 58.100 0.176 0.000 1.513 477 Y CB 0.197 38.801 38.460 0.240 0.000 1.435 477 Y HN 0.951 nan 8.280 nan 0.000 0.489 478 G N 2.257 111.160 108.800 0.173 0.000 2.421 478 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 478 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 478 G C 1.642 176.651 174.900 0.181 0.000 1.171 478 G CA 0.208 45.368 45.100 0.099 0.000 0.775 478 G HN 0.773 nan 8.290 nan 0.000 0.543 479 W N 0.829 122.160 121.300 0.050 0.000 2.305 479 W HA -0.191 4.469 4.660 -0.000 0.000 0.308 479 W C 1.973 178.522 176.519 0.050 0.000 1.226 479 W CA 1.243 58.612 57.345 0.041 0.000 1.253 479 W CB 0.014 29.497 29.460 0.038 0.000 1.146 479 W HN 0.148 nan 8.180 nan 0.000 0.507 480 I N 0.371 121.078 120.570 0.229 0.000 2.584 480 I HA -0.171 3.999 4.170 -0.000 0.000 0.255 480 I C 2.225 178.395 176.117 0.088 0.000 1.145 480 I CA 1.215 62.592 61.300 0.128 0.000 1.462 480 I CB -1.577 36.526 38.000 0.171 0.000 1.102 480 I HN -0.022 nan 8.210 nan 0.000 0.433 481 K N 1.481 121.917 120.400 0.060 0.000 2.044 481 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 481 K C 1.593 178.211 176.600 0.031 0.000 1.049 481 K CA 2.042 58.290 56.287 -0.065 0.000 0.927 481 K CB 0.037 32.364 32.500 -0.289 0.000 0.713 481 K HN 0.184 nan 8.250 nan 0.000 0.443 482 D N 0.638 121.032 120.400 -0.011 0.000 2.144 482 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 482 D C 1.737 178.030 176.300 -0.012 0.000 0.984 482 D CA 1.223 55.220 54.000 -0.006 0.000 0.834 482 D CB -0.095 40.654 40.800 -0.085 0.000 0.955 482 D HN 0.446 nan 8.370 nan 0.000 0.465 483 E N 0.593 120.756 120.200 -0.062 0.000 2.072 483 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 483 E C 2.190 178.814 176.600 0.041 0.000 0.985 483 E CA 0.665 57.034 56.400 -0.052 0.000 0.801 483 E CB -0.072 29.581 29.700 -0.079 0.000 0.750 483 E HN 0.370 nan 8.360 nan 0.000 0.452 484 Q N 0.644 120.520 119.800 0.127 0.000 2.084 484 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 484 Q C 2.216 178.307 176.000 0.152 0.000 0.978 484 Q CA 1.235 57.143 55.803 0.175 0.000 0.844 484 Q CB -0.120 28.814 28.738 0.326 0.000 0.898 484 Q HN 0.328 nan 8.270 nan 0.000 0.426 485 E N 0.850 121.235 120.200 0.308 0.000 2.085 485 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 485 E C 1.056 177.691 176.600 0.057 0.000 0.994 485 E CA 1.521 58.034 56.400 0.188 0.000 0.801 485 E CB 0.141 30.025 29.700 0.307 0.000 0.743 485 E HN 0.299 nan 8.360 nan 0.000 0.453 486 D N -0.819 119.610 120.400 0.049 0.000 2.183 486 D HA -0.095 4.545 4.640 -0.000 0.000 0.203 486 D C 1.946 178.244 176.300 -0.004 0.000 0.969 486 D CA 1.925 55.932 54.000 0.012 0.000 0.842 486 D CB -0.009 40.784 40.800 -0.012 0.000 0.957 486 D HN 0.407 nan 8.370 nan 0.000 0.484 487 T N -3.189 111.363 114.554 -0.003 0.000 2.964 487 T HA 0.109 4.459 4.350 -0.000 0.000 0.249 487 T C 0.712 175.402 174.700 -0.017 0.000 1.000 487 T CA -0.445 61.650 62.100 -0.010 0.000 0.992 487 T CB 0.183 69.049 68.868 -0.005 0.000 1.087 487 T HN -0.214 nan 8.240 nan 0.000 0.489 488 N N 2.246 120.932 118.700 -0.023 0.000 2.529 488 N HA 0.344 5.084 4.740 -0.000 0.000 0.278 488 N C 0.917 176.386 175.510 -0.069 0.000 1.146 488 N CA -0.427 52.601 53.050 -0.037 0.000 0.980 488 N CB 1.159 39.628 38.487 -0.030 0.000 1.124 488 N HN 0.158 nan 8.380 nan 0.000 0.458 489 Q N 0.411 120.177 119.800 -0.056 0.000 2.212 489 Q HA 0.140 4.480 4.340 -0.000 0.000 0.199 489 Q C -0.105 175.845 176.000 -0.085 0.000 0.950 489 Q CA 0.986 56.751 55.803 -0.064 0.000 0.863 489 Q CB 0.021 28.734 28.738 -0.042 0.000 0.944 489 Q HN 0.543 nan 8.270 nan 0.000 0.465 490 N N 1.343 119.997 118.700 -0.077 0.000 2.448 490 N HA 0.090 4.830 4.740 -0.000 0.000 0.274 490 N C -0.302 175.130 175.510 -0.131 0.000 1.239 490 N CA -0.395 52.607 53.050 -0.080 0.000 0.982 490 N CB 0.442 38.905 38.487 -0.040 0.000 1.199 490 N HN -0.048 nan 8.380 nan 0.000 0.576 491 D N 0.168 120.503 120.400 -0.109 0.000 2.378 491 D HA 0.056 4.696 4.640 -0.000 0.000 0.238 491 D C 0.170 176.421 176.300 -0.082 0.000 1.180 491 D CA 0.320 54.234 54.000 -0.144 0.000 0.895 491 D CB 0.172 40.947 40.800 -0.041 0.000 1.192 491 D HN 0.172 nan 8.370 nan 0.000 0.438 492 F N 0.787 120.747 119.950 0.017 0.000 2.642 492 F HA 0.050 4.577 4.527 -0.000 0.000 0.371 492 F C 0.985 176.808 175.800 0.037 0.000 1.120 492 F CA 0.405 58.420 58.000 0.026 0.000 1.331 492 F CB -0.123 38.889 39.000 0.020 0.000 1.044 492 F HN 0.110 nan 8.300 nan 0.000 0.594 493 I N 1.446 122.177 120.570 0.269 0.000 2.610 493 I HA 0.495 4.665 4.170 -0.000 0.000 0.289 493 I C 0.348 176.577 176.117 0.186 0.000 1.163 493 I CA -0.106 61.302 61.300 0.179 0.000 1.044 493 I CB 1.679 39.752 38.000 0.122 0.000 1.251 493 I HN 0.683 nan 8.210 nan 0.000 0.424 494 G N 4.365 113.276 108.800 0.185 0.000 2.168 494 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 494 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 494 G C 0.463 175.574 174.900 0.351 0.000 0.977 494 G CA 0.712 45.957 45.100 0.241 0.000 0.659 494 G HN 1.370 nan 8.290 nan 0.000 0.533 495 V N -3.582 116.476 119.914 0.241 0.000 3.605 495 V HA 0.527 4.647 4.120 -0.000 0.000 0.284 495 V C 0.472 176.516 176.094 -0.084 0.000 1.386 495 V CA 0.764 63.187 62.300 0.205 0.000 1.053 495 V CB 0.342 32.231 31.823 0.110 0.000 0.857 495 V HN 0.363 nan 8.190 nan 0.000 0.436 496 E N 1.353 121.488 120.200 -0.109 0.000 2.210 496 E HA 0.682 5.032 4.350 -0.000 0.000 0.266 496 E C -1.317 175.187 176.600 -0.160 0.000 0.883 496 E CA -0.586 55.624 56.400 -0.316 0.000 0.761 496 E CB 2.453 32.025 29.700 -0.213 0.000 1.156 496 E HN 0.478 nan 8.360 nan 0.000 0.412 497 F N -0.780 119.102 119.950 -0.113 0.000 2.754 497 F HA 0.484 5.011 4.527 -0.000 0.000 0.320 497 F C -0.538 175.217 175.800 -0.074 0.000 1.156 497 F CA -1.627 56.317 58.000 -0.093 0.000 0.950 497 F CB 0.354 39.269 39.000 -0.142 0.000 1.388 497 F HN 0.114 nan 8.300 nan 0.000 0.485 498 N N 0.561 119.443 118.700 0.305 0.000 2.508 498 N HA 0.144 4.884 4.740 -0.000 0.000 0.264 498 N C -1.193 174.448 175.510 0.219 0.000 1.216 498 N CA 0.046 53.199 53.050 0.172 0.000 0.943 498 N CB 0.240 38.782 38.487 0.090 0.000 1.113 498 N HN 0.785 nan 8.380 nan 0.000 0.447 499 D N 0.917 121.383 120.400 0.110 0.000 2.488 499 D HA 0.062 4.702 4.640 -0.000 0.000 0.238 499 D C -0.654 175.670 176.300 0.039 0.000 1.138 499 D CA 0.422 54.475 54.000 0.089 0.000 0.873 499 D CB 0.367 41.192 40.800 0.041 0.000 1.183 499 D HN 0.273 nan 8.370 nan 0.000 0.458 500 I N 2.972 123.560 120.570 0.029 0.000 2.406 500 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 500 I C -0.359 175.687 176.117 -0.120 0.000 0.999 500 I CA -0.868 60.343 61.300 -0.148 0.000 1.124 500 I CB 1.781 39.556 38.000 -0.375 0.000 1.289 500 I HN 0.385 nan 8.210 nan 0.000 0.441 501 D N 6.024 126.338 120.400 -0.143 0.000 2.411 501 D HA 0.152 4.792 4.640 -0.000 0.000 0.225 501 D C 0.561 176.794 176.300 -0.111 0.000 1.156 501 D CA -0.070 53.898 54.000 -0.054 0.000 0.874 501 D CB 0.553 41.329 40.800 -0.041 0.000 1.034 501 D HN 0.297 nan 8.370 nan 0.000 0.502 502 F N 1.401 121.347 119.950 -0.006 0.000 2.502 502 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 502 F C 2.680 178.463 175.800 -0.029 0.000 1.111 502 F CA 0.671 58.663 58.000 -0.013 0.000 1.445 502 F CB 0.008 39.008 39.000 0.000 0.000 1.081 502 F HN 0.377 nan 8.300 nan 0.000 0.558 503 S N 0.029 115.800 115.700 0.118 0.000 2.399 503 S HA -0.189 4.281 4.470 -0.000 0.000 0.231 503 S C 1.852 176.439 174.600 -0.022 0.000 1.022 503 S CA 0.957 59.175 58.200 0.029 0.000 0.983 503 S CB -0.392 62.811 63.200 0.004 0.000 0.803 503 S HN 0.398 nan 8.310 nan 0.000 0.480 504 K N 0.488 120.867 120.400 -0.036 0.000 2.116 504 K HA 0.146 4.466 4.320 -0.000 0.000 0.203 504 K C 1.974 178.523 176.600 -0.085 0.000 1.052 504 K CA 0.848 57.096 56.287 -0.065 0.000 0.952 504 K CB -0.278 32.180 32.500 -0.071 0.000 0.729 504 K HN 0.286 nan 8.250 nan 0.000 0.446 505 I N 1.813 122.319 120.570 -0.106 0.000 2.127 505 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 505 I C 2.537 178.619 176.117 -0.058 0.000 1.075 505 I CA 1.508 62.743 61.300 -0.108 0.000 1.334 505 I CB -1.499 36.407 38.000 -0.156 0.000 1.040 505 I HN 0.104 nan 8.210 nan 0.000 0.405 506 A N 0.423 123.238 122.820 -0.008 0.000 1.908 506 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 506 A C 2.153 179.694 177.584 -0.072 0.000 1.181 506 A CA 2.174 54.200 52.037 -0.018 0.000 0.627 506 A CB -0.845 18.159 19.000 0.006 0.000 0.818 506 A HN 0.435 nan 8.150 nan 0.000 0.445 507 D N -0.369 119.985 120.400 -0.076 0.000 2.116 507 D HA -0.105 4.535 4.640 -0.000 0.000 0.193 507 D C 2.029 178.239 176.300 -0.149 0.000 0.998 507 D CA 1.818 55.770 54.000 -0.080 0.000 0.836 507 D CB -0.677 40.084 40.800 -0.065 0.000 0.951 507 D HN 0.310 nan 8.370 nan 0.000 0.449 508 G N 0.113 108.811 108.800 -0.171 0.000 2.469 508 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 508 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 508 G C 1.587 176.211 174.900 -0.460 0.000 1.136 508 G CA 1.579 46.526 45.100 -0.255 0.000 0.759 508 G HN 0.448 nan 8.290 nan 0.000 0.562 509 V N -3.363 116.347 119.914 -0.339 0.000 3.633 509 V HA 0.253 4.373 4.120 -0.000 0.000 0.283 509 V C 0.834 176.744 176.094 -0.306 0.000 1.305 509 V CA 0.336 62.439 62.300 -0.327 0.000 1.153 509 V CB -1.118 30.629 31.823 -0.126 0.000 0.950 509 V HN 0.555 nan 8.190 nan 0.000 0.432 510 H N -1.263 117.784 119.070 -0.038 0.000 2.933 510 H HA -0.144 4.412 4.556 -0.000 0.000 0.301 510 H C -0.099 175.201 175.328 -0.047 0.000 1.280 510 H CA 1.204 57.225 56.048 -0.044 0.000 1.155 510 H CB -1.660 28.076 29.762 -0.044 0.000 1.379 510 H HN 0.698 nan 8.280 nan 0.000 0.419 511 M N 0.942 120.546 119.600 0.006 0.000 2.311 511 M HA 0.261 4.741 4.480 -0.000 0.000 0.325 511 M C 0.081 176.356 176.300 -0.042 0.000 1.061 511 M CA -0.530 54.764 55.300 -0.010 0.000 0.957 511 M CB 1.406 33.996 32.600 -0.016 0.000 1.646 511 M HN 0.151 nan 8.290 nan 0.000 0.434 512 Q N 2.494 122.262 119.800 -0.053 0.000 2.330 512 Q HA 0.460 4.800 4.340 -0.000 0.000 0.279 512 Q C -0.832 175.053 176.000 -0.193 0.000 1.024 512 Q CA 0.233 55.954 55.803 -0.137 0.000 0.900 512 Q CB 0.837 29.513 28.738 -0.104 0.000 1.221 512 Q HN 0.737 nan 8.270 nan 0.000 0.396 513 A N 2.484 125.067 122.820 -0.394 0.000 2.610 513 A HA 0.802 5.122 4.320 -0.000 0.000 0.291 513 A C -1.760 175.424 177.584 -0.667 0.000 1.086 513 A CA -0.668 51.167 52.037 -0.336 0.000 0.677 513 A CB 1.208 20.132 19.000 -0.126 0.000 1.278 513 A HN 0.561 nan 8.150 nan 0.000 0.414 514 F N -0.421 119.498 119.950 -0.053 0.000 2.599 514 F HA 0.807 5.334 4.527 -0.000 0.000 0.311 514 F C 0.098 175.871 175.800 -0.045 0.000 1.076 514 F CA -0.488 57.479 58.000 -0.054 0.000 0.937 514 F CB 2.477 41.424 39.000 -0.088 0.000 1.282 514 F HN 0.658 nan 8.300 nan 0.000 0.460 515 R N 1.670 122.263 120.500 0.155 0.000 2.513 515 R HA 0.837 5.177 4.340 -0.000 0.000 0.301 515 R C -1.991 174.357 176.300 0.079 0.000 0.968 515 R CA -0.672 55.482 56.100 0.089 0.000 0.872 515 R CB 1.720 32.056 30.300 0.060 0.000 1.177 515 R HN 0.616 nan 8.270 nan 0.000 0.444 516 V N 2.155 122.098 119.914 0.049 0.000 2.823 516 V HA 0.634 4.754 4.120 -0.000 0.000 0.312 516 V C -0.661 175.443 176.094 0.017 0.000 1.072 516 V CA -0.747 61.574 62.300 0.036 0.000 0.937 516 V CB 2.219 34.064 31.823 0.038 0.000 1.013 516 V HN 1.002 nan 8.190 nan 0.000 0.430 517 N N 0.380 119.087 118.700 0.013 0.000 2.116 517 N HA 0.248 4.988 4.740 -0.000 0.000 0.230 517 N C -0.371 175.136 175.510 -0.004 0.000 1.326 517 N CA -0.498 52.553 53.050 0.001 0.000 0.867 517 N CB 0.433 38.922 38.487 0.003 0.000 1.174 517 N HN 0.791 nan 8.380 nan 0.000 0.506 518 K N 0.224 120.624 120.400 -0.000 0.000 2.422 518 K HA 0.473 4.793 4.320 -0.000 0.000 0.251 518 K C 0.588 177.183 176.600 -0.008 0.000 0.933 518 K CA -0.770 55.514 56.287 -0.005 0.000 0.798 518 K CB 2.521 35.020 32.500 -0.002 0.000 1.238 518 K HN -0.194 nan 8.250 nan 0.000 0.428 519 I N 2.015 122.574 120.570 -0.018 0.000 2.151 519 I HA -0.354 3.816 4.170 -0.000 0.000 0.243 519 I C 2.323 178.427 176.117 -0.023 0.000 1.080 519 I CA 1.547 62.831 61.300 -0.028 0.000 1.339 519 I CB -0.236 37.745 38.000 -0.032 0.000 1.039 519 I HN 0.754 nan 8.210 nan 0.000 0.409 520 E N 1.407 121.598 120.200 -0.015 0.000 2.333 520 E HA -0.277 4.073 4.350 -0.000 0.000 0.198 520 E C 1.691 178.288 176.600 -0.004 0.000 1.007 520 E CA 1.198 57.591 56.400 -0.012 0.000 0.845 520 E CB -0.484 29.211 29.700 -0.009 0.000 0.766 520 E HN 0.660 nan 8.360 nan 0.000 0.507 521 Q N 0.342 120.144 119.800 0.004 0.000 2.389 521 Q HA 0.110 4.450 4.340 -0.000 0.000 0.204 521 Q C 2.385 178.403 176.000 0.030 0.000 0.944 521 Q CA 0.364 56.175 55.803 0.014 0.000 0.908 521 Q CB -0.008 28.742 28.738 0.020 0.000 1.002 521 Q HN 0.303 nan 8.270 nan 0.000 0.493 522 L N 0.635 121.883 121.223 0.042 0.000 2.017 522 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 522 L C -0.661 176.282 176.870 0.122 0.000 1.073 522 L CA 1.318 56.226 54.840 0.114 0.000 0.745 522 L CB -1.637 40.405 42.059 -0.027 0.000 0.894 522 L HN 0.138 nan 8.230 nan 0.000 0.432 523 P HA -0.192 nan 4.420 nan 0.000 0.215 523 P C 1.022 178.344 177.300 0.036 0.000 1.157 523 P CA 1.635 64.747 63.100 0.020 0.000 0.868 523 P CB 0.045 31.739 31.700 -0.009 0.000 0.788 524 D N -1.362 119.041 120.400 0.004 0.000 2.149 524 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 524 D C 1.809 178.035 176.300 -0.123 0.000 0.972 524 D CA 0.610 54.590 54.000 -0.034 0.000 0.835 524 D CB -0.354 40.428 40.800 -0.029 0.000 0.966 524 D HN -0.187 nan 8.370 nan 0.000 0.476 525 V N -0.073 119.741 119.914 -0.167 0.000 2.358 525 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 525 V C 1.892 177.684 176.094 -0.503 0.000 1.047 525 V CA 1.338 63.337 62.300 -0.501 0.000 1.035 525 V CB -0.565 31.008 31.823 -0.417 0.000 0.658 525 V HN 0.244 nan 8.190 nan 0.000 0.452 526 F N 0.045 119.847 119.950 -0.246 0.000 2.234 526 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 526 F C 2.509 178.247 175.800 -0.102 0.000 1.087 526 F CA 1.215 59.132 58.000 -0.138 0.000 1.340 526 F CB -0.253 38.711 39.000 -0.060 0.000 1.031 526 F HN 0.139 nan 8.300 nan 0.000 0.500 527 E N 0.196 120.426 120.200 0.050 0.000 2.077 527 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 527 E C 2.165 178.744 176.600 -0.036 0.000 0.989 527 E CA 1.078 57.488 56.400 0.016 0.000 0.800 527 E CB -0.545 29.161 29.700 0.010 0.000 0.746 527 E HN 0.542 nan 8.360 nan 0.000 0.452 528 Q N 0.273 120.000 119.800 -0.122 0.000 2.050 528 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 528 Q C 2.217 178.182 176.000 -0.058 0.000 0.980 528 Q CA 1.533 57.277 55.803 -0.098 0.000 0.840 528 Q CB -0.235 28.388 28.738 -0.191 0.000 0.898 528 Q HN 0.233 nan 8.270 nan 0.000 0.424 529 A N 1.641 124.350 122.820 -0.184 0.000 1.908 529 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 529 A C 2.026 179.589 177.584 -0.035 0.000 1.181 529 A CA 1.818 53.805 52.037 -0.082 0.000 0.627 529 A CB -0.545 18.316 19.000 -0.233 0.000 0.818 529 A HN 0.264 nan 8.150 nan 0.000 0.445 530 K N -0.383 120.006 120.400 -0.018 0.000 2.063 530 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 530 K C 2.123 178.714 176.600 -0.015 0.000 1.048 530 K CA 1.372 57.658 56.287 -0.002 0.000 0.928 530 K CB -0.329 32.200 32.500 0.049 0.000 0.713 530 K HN 0.384 nan 8.250 nan 0.000 0.442 531 A N 1.260 124.083 122.820 0.005 0.000 1.872 531 A HA -0.077 4.243 4.320 -0.000 0.000 0.214 531 A C 2.083 179.686 177.584 0.032 0.000 1.187 531 A CA 1.271 53.318 52.037 0.018 0.000 0.614 531 A CB -0.520 18.502 19.000 0.037 0.000 0.826 531 A HN 0.332 nan 8.150 nan 0.000 0.442 532 I N 0.116 120.719 120.570 0.054 0.000 2.194 532 I HA -0.305 3.864 4.170 -0.000 0.000 0.246 532 I C 2.570 178.708 176.117 0.035 0.000 1.093 532 I CA 1.267 62.612 61.300 0.075 0.000 1.355 532 I CB -0.216 37.848 38.000 0.108 0.000 1.046 532 I HN 0.334 nan 8.210 nan 0.000 0.413 533 A N -0.132 122.677 122.820 -0.019 0.000 2.252 533 A HA -0.064 4.256 4.320 -0.000 0.000 0.207 533 A C 1.915 179.426 177.584 -0.122 0.000 1.194 533 A CA 0.444 52.440 52.037 -0.069 0.000 0.809 533 A CB -0.280 18.648 19.000 -0.120 0.000 0.814 533 A HN 0.373 nan 8.150 nan 0.000 0.482 534 Q N -0.796 118.908 119.800 -0.161 0.000 2.369 534 Q HA -0.093 4.247 4.340 -0.000 0.000 0.206 534 Q C 0.583 176.210 176.000 -0.623 0.000 0.963 534 Q CA 1.585 57.163 55.803 -0.375 0.000 0.894 534 Q CB -0.169 28.311 28.738 -0.429 0.000 0.965 534 Q HN 0.966 nan 8.270 nan 0.000 0.475 535 H N -1.801 117.271 119.070 0.004 0.000 3.734 535 H HA 0.256 4.812 4.556 -0.000 0.000 0.253 535 H C -0.125 175.226 175.328 0.037 0.000 1.072 535 H CA -0.109 55.947 56.048 0.014 0.000 1.147 535 H CB 1.223 30.991 29.762 0.010 0.000 1.495 535 H HN -0.097 nan 8.280 nan 0.000 0.588 536 E N 0.663 120.936 120.200 0.121 0.000 2.413 536 E HA 0.253 4.603 4.350 -0.000 0.000 0.277 536 E C -2.819 173.808 176.600 0.045 0.000 0.958 536 E CA -2.189 54.273 56.400 0.104 0.000 0.779 536 E CB 2.372 32.141 29.700 0.114 0.000 1.278 536 E HN -0.070 nan 8.360 nan 0.000 0.456 537 P HA 0.167 nan 4.420 nan 0.000 0.272 537 P C -0.465 176.841 177.300 0.009 0.000 1.230 537 P CA -0.238 62.864 63.100 0.004 0.000 0.788 537 P CB 0.996 32.697 31.700 0.002 0.000 0.949 538 V N 2.663 122.578 119.914 0.002 0.000 3.087 538 V HA 0.561 4.681 4.120 -0.000 0.000 0.306 538 V C -1.353 174.752 176.094 0.017 0.000 1.187 538 V CA -1.095 61.220 62.300 0.024 0.000 0.999 538 V CB 2.264 34.127 31.823 0.066 0.000 1.049 538 V HN 0.443 nan 8.190 nan 0.000 0.431 539 L N 5.730 126.971 121.223 0.031 0.000 2.362 539 L HA 0.708 5.048 4.340 -0.000 0.000 0.275 539 L C -1.183 175.718 176.870 0.051 0.000 0.998 539 L CA -0.418 54.437 54.840 0.025 0.000 0.820 539 L CB 1.750 43.828 42.059 0.032 0.000 1.270 539 L HN 0.669 nan 8.230 nan 0.000 0.415 540 I N 3.896 124.453 120.570 -0.022 0.000 2.355 540 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 540 I C -0.939 175.137 176.117 -0.069 0.000 0.999 540 I CA -0.460 60.801 61.300 -0.065 0.000 1.163 540 I CB 1.567 39.372 38.000 -0.325 0.000 1.316 540 I HN 0.507 nan 8.210 nan 0.000 0.454 541 D N 6.512 126.910 120.400 -0.002 0.000 2.380 541 D HA 0.407 5.047 4.640 -0.000 0.000 0.230 541 D C -0.307 175.976 176.300 -0.029 0.000 1.154 541 D CA -0.148 53.856 54.000 0.006 0.000 0.859 541 D CB 1.305 42.173 40.800 0.112 0.000 1.045 541 D HN 0.565 nan 8.370 nan 0.000 0.495 542 A N 4.208 126.956 122.820 -0.120 0.000 2.294 542 A HA 0.416 4.736 4.320 -0.000 0.000 0.316 542 A C -0.156 177.384 177.584 -0.074 0.000 1.359 542 A CA -0.701 51.257 52.037 -0.131 0.000 0.956 542 A CB 0.536 19.362 19.000 -0.290 0.000 1.155 542 A HN 0.401 nan 8.150 nan 0.000 0.544 543 V N 5.540 125.440 119.914 -0.023 0.000 2.397 543 V HA 0.210 4.330 4.120 -0.000 0.000 0.262 543 V C 0.401 176.484 176.094 -0.017 0.000 1.047 543 V CA 0.337 62.636 62.300 -0.002 0.000 1.003 543 V CB -0.713 31.115 31.823 0.009 0.000 1.037 543 V HN 0.730 nan 8.190 nan 0.000 0.480 544 I N 2.217 122.780 120.570 -0.012 0.000 2.863 544 I HA 0.778 4.948 4.170 -0.000 0.000 0.311 544 I C 0.716 176.812 176.117 -0.036 0.000 1.026 544 I CA -0.630 60.656 61.300 -0.025 0.000 1.077 544 I CB 2.021 40.023 38.000 0.004 0.000 1.262 544 I HN 0.542 nan 8.210 nan 0.000 0.461 545 T N 0.118 114.640 114.554 -0.054 0.000 2.766 545 T HA 0.280 4.630 4.350 -0.000 0.000 0.295 545 T C 0.992 175.655 174.700 -0.061 0.000 1.024 545 T CA -0.127 61.940 62.100 -0.055 0.000 1.018 545 T CB 0.917 69.753 68.868 -0.053 0.000 1.002 545 T HN 0.941 nan 8.240 nan 0.000 0.532 546 G N 0.188 108.950 108.800 -0.063 0.000 3.327 546 G HA2 0.156 4.116 3.960 -0.000 0.000 0.240 546 G HA3 0.156 4.116 3.960 -0.000 0.000 0.240 546 G C 0.004 174.876 174.900 -0.047 0.000 1.222 546 G CA -0.496 44.561 45.100 -0.072 0.000 0.871 546 G HN 0.772 nan 8.290 nan 0.000 0.525 547 D N 0.705 121.086 120.400 -0.031 0.000 2.458 547 D HA 0.033 4.673 4.640 -0.000 0.000 0.243 547 D C 0.609 176.947 176.300 0.063 0.000 1.146 547 D CA 0.272 54.280 54.000 0.013 0.000 0.877 547 D CB 1.342 42.167 40.800 0.042 0.000 1.176 547 D HN 0.173 nan 8.370 nan 0.000 0.461 548 R N 3.247 123.818 120.500 0.117 0.000 2.389 548 R HA 0.180 4.520 4.340 -0.000 0.000 0.295 548 R C -2.235 174.265 176.300 0.333 0.000 1.075 548 R CA -1.157 55.063 56.100 0.200 0.000 1.005 548 R CB 0.579 31.026 30.300 0.246 0.000 0.987 548 R HN 0.198 nan 8.270 nan 0.000 0.452 549 P HA -0.014 nan 4.420 nan 0.000 0.274 549 P C -0.420 176.916 177.300 0.060 0.000 1.231 549 P CA -0.356 62.923 63.100 0.299 0.000 0.790 549 P CB 0.586 32.461 31.700 0.292 0.000 0.951 550 L N 4.146 125.332 121.223 -0.062 0.000 2.667 550 L HA 0.046 4.386 4.340 -0.000 0.000 0.278 550 L C -1.887 174.801 176.870 -0.305 0.000 1.217 550 L CA -1.007 53.487 54.840 -0.577 0.000 0.935 550 L CB -0.309 41.632 42.059 -0.196 0.000 1.193 550 L HN 0.266 nan 8.230 nan 0.000 0.493 551 P HA 0.091 nan 4.420 nan 0.000 0.277 551 P C 0.119 177.369 177.300 -0.084 0.000 1.354 551 P CA -0.254 62.749 63.100 -0.162 0.000 0.891 551 P CB 1.396 33.022 31.700 -0.122 0.000 1.058 552 A N 4.459 127.227 122.820 -0.087 0.000 2.131 552 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 552 A C 1.750 179.246 177.584 -0.148 0.000 1.158 552 A CA 1.370 53.324 52.037 -0.139 0.000 0.665 552 A CB -0.638 18.244 19.000 -0.196 0.000 0.795 552 A HN 0.566 nan 8.150 nan 0.000 0.460 553 E N -0.538 119.586 120.200 -0.126 0.000 2.474 553 E HA 0.051 4.401 4.350 -0.000 0.000 0.195 553 E C 0.233 176.771 176.600 -0.104 0.000 1.039 553 E CA 0.327 56.652 56.400 -0.126 0.000 0.881 553 E CB 0.038 29.656 29.700 -0.137 0.000 0.970 553 E HN 0.423 nan 8.360 nan 0.000 0.486 554 K N 1.375 121.727 120.400 -0.080 0.000 3.309 554 K HA 0.333 4.653 4.320 -0.000 0.000 0.187 554 K C -0.482 176.065 176.600 -0.088 0.000 1.085 554 K CA -0.274 55.980 56.287 -0.054 0.000 0.867 554 K CB 0.686 33.192 32.500 0.010 0.000 0.846 554 K HN 0.073 nan 8.250 nan 0.000 0.522 555 L N 1.864 122.953 121.223 -0.223 0.000 2.416 555 L HA 0.208 4.547 4.340 -0.000 0.000 0.272 555 L C 0.573 177.020 176.870 -0.706 0.000 1.161 555 L CA 0.014 54.536 54.840 -0.528 0.000 0.845 555 L CB 0.269 42.114 42.059 -0.357 0.000 1.119 555 L HN -0.015 nan 8.230 nan 0.000 0.464 556 R N 5.931 125.604 120.500 -1.378 0.000 2.494 556 R HA 0.371 4.711 4.340 -0.000 0.000 0.284 556 R C -0.076 175.838 176.300 -0.643 0.000 1.525 556 R CA -0.105 55.527 56.100 -0.780 0.000 1.460 556 R CB 0.774 30.802 30.300 -0.452 0.000 1.134 556 R HN 0.731 nan 8.270 nan 0.000 0.592 557 L N -0.916 120.064 121.223 -0.404 0.000 3.154 557 L HA 0.251 4.591 4.340 -0.000 0.000 0.280 557 L C 0.161 176.942 176.870 -0.149 0.000 1.134 557 L CA -0.025 54.677 54.840 -0.229 0.000 1.037 557 L CB 0.679 42.616 42.059 -0.204 0.000 1.571 557 L HN 0.171 nan 8.230 nan 0.000 0.576 558 D N 0.494 120.802 120.400 -0.154 0.000 2.359 558 D HA 0.117 4.757 4.640 -0.000 0.000 0.230 558 D C 1.216 177.460 176.300 -0.094 0.000 1.118 558 D CA 0.180 54.111 54.000 -0.114 0.000 0.844 558 D CB 1.704 42.438 40.800 -0.111 0.000 1.059 558 D HN 0.082 nan 8.370 nan 0.000 0.493 559 S N 2.762 118.417 115.700 -0.076 0.000 2.440 559 S HA -0.183 4.287 4.470 -0.000 0.000 0.238 559 S C 1.815 176.382 174.600 -0.054 0.000 1.010 559 S CA 0.880 59.044 58.200 -0.060 0.000 0.972 559 S CB -0.099 63.071 63.200 -0.050 0.000 0.774 559 S HN 0.430 nan 8.310 nan 0.000 0.501 560 A N 1.014 123.801 122.820 -0.056 0.000 2.168 560 A HA 0.348 4.668 4.320 -0.000 0.000 0.215 560 A C 2.083 179.637 177.584 -0.050 0.000 1.152 560 A CA 1.021 53.029 52.037 -0.048 0.000 0.716 560 A CB -0.473 18.501 19.000 -0.044 0.000 0.794 560 A HN 0.663 nan 8.150 nan 0.000 0.465 561 M N -1.778 117.785 119.600 -0.062 0.000 2.329 561 M HA 0.182 4.662 4.480 -0.000 0.000 0.281 561 M C -0.219 176.040 176.300 -0.069 0.000 1.088 561 M CA 0.236 55.496 55.300 -0.065 0.000 1.108 561 M CB 0.759 33.313 32.600 -0.077 0.000 1.657 561 M HN 0.124 nan 8.290 nan 0.000 0.579 562 S N 0.726 116.380 115.700 -0.076 0.000 2.568 562 S HA 0.518 4.988 4.470 -0.000 0.000 0.293 562 S C -0.072 174.498 174.600 -0.051 0.000 1.089 562 S CA -0.985 57.172 58.200 -0.071 0.000 0.945 562 S CB 1.925 65.063 63.200 -0.104 0.000 1.077 562 S HN 0.375 nan 8.310 nan 0.000 0.485 563 S N 1.174 116.852 115.700 -0.037 0.000 2.584 563 S HA 0.419 4.889 4.470 -0.000 0.000 0.270 563 S C 1.372 175.960 174.600 -0.020 0.000 1.346 563 S CA -0.235 57.950 58.200 -0.025 0.000 1.018 563 S CB 0.564 63.754 63.200 -0.016 0.000 0.899 563 S HN 0.930 nan 8.310 nan 0.000 0.542 564 A N 2.332 125.143 122.820 -0.015 0.000 1.978 564 A HA 0.119 4.439 4.320 -0.000 0.000 0.220 564 A C 2.368 179.954 177.584 0.003 0.000 1.170 564 A CA 1.754 53.786 52.037 -0.009 0.000 0.636 564 A CB -1.571 17.423 19.000 -0.009 0.000 0.810 564 A HN 1.355 nan 8.150 nan 0.000 0.448 565 A N -0.218 122.605 122.820 0.004 0.000 1.930 565 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 565 A C 1.759 179.360 177.584 0.028 0.000 1.175 565 A CA 1.736 53.781 52.037 0.013 0.000 0.627 565 A CB -0.418 18.587 19.000 0.008 0.000 0.815 565 A HN 0.439 nan 8.150 nan 0.000 0.443 566 D N 0.066 120.482 120.400 0.026 0.000 2.123 566 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 566 D C 1.869 178.219 176.300 0.084 0.000 0.976 566 D CA 0.875 54.905 54.000 0.049 0.000 0.831 566 D CB -0.327 40.485 40.800 0.020 0.000 0.974 566 D HN 0.494 nan 8.370 nan 0.000 0.469 567 I N 1.251 121.844 120.570 0.038 0.000 2.151 567 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 567 I C 2.243 178.436 176.117 0.125 0.000 1.080 567 I CA 1.167 62.497 61.300 0.050 0.000 1.339 567 I CB -0.100 37.897 38.000 -0.005 0.000 1.039 567 I HN -0.058 nan 8.210 nan 0.000 0.409 568 E N 0.752 121.000 120.200 0.080 0.000 2.107 568 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 568 E C 2.313 178.960 176.600 0.077 0.000 0.982 568 E CA 1.234 57.678 56.400 0.073 0.000 0.809 568 E CB -0.274 29.449 29.700 0.037 0.000 0.756 568 E HN 0.482 nan 8.360 nan 0.000 0.459 569 A N 0.770 123.637 122.820 0.078 0.000 1.933 569 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 569 A C 2.073 179.699 177.584 0.069 0.000 1.175 569 A CA 1.100 53.168 52.037 0.052 0.000 0.628 569 A CB -0.763 18.265 19.000 0.048 0.000 0.814 569 A HN 0.268 nan 8.150 nan 0.000 0.444 570 F N 0.708 120.673 119.950 0.026 0.000 2.075 570 F HA -0.149 4.378 4.527 0.000 0.000 0.297 570 F C 2.220 178.094 175.800 0.122 0.000 1.113 570 F CA 2.211 60.284 58.000 0.121 0.000 1.218 570 F CB -0.162 38.925 39.000 0.144 0.000 0.984 570 F HN 0.099 nan 8.300 nan 0.000 0.472 571 K N -0.371 120.198 120.400 0.282 0.000 2.103 571 K HA -0.278 4.042 4.320 -0.000 0.000 0.207 571 K C 2.074 178.686 176.600 0.020 0.000 1.048 571 K CA 1.791 58.166 56.287 0.146 0.000 0.930 571 K CB -0.344 32.242 32.500 0.144 0.000 0.716 571 K HN 0.314 nan 8.250 nan 0.000 0.444 572 Q N 1.322 121.113 119.800 -0.015 0.000 2.049 572 Q HA -0.121 4.219 4.340 -0.000 0.000 0.198 572 Q C 2.025 177.941 176.000 -0.140 0.000 0.971 572 Q CA 1.502 57.274 55.803 -0.052 0.000 0.833 572 Q CB -0.089 28.625 28.738 -0.041 0.000 0.896 572 Q HN 0.154 nan 8.270 nan 0.000 0.434 573 R N -1.299 119.027 120.500 -0.290 0.000 2.081 573 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 573 R C 0.887 176.838 176.300 -0.582 0.000 1.131 573 R CA 1.555 57.336 56.100 -0.532 0.000 0.960 573 R CB -0.104 29.671 30.300 -0.876 0.000 0.856 573 R HN 0.370 nan 8.270 nan 0.000 0.436 574 Y N 0.560 120.749 120.300 -0.184 0.000 2.524 574 Y HA 0.240 4.790 4.550 -0.000 0.000 0.266 574 Y C -0.296 175.623 175.900 0.031 0.000 1.180 574 Y CA -0.244 57.774 58.100 -0.137 0.000 1.244 574 Y CB 0.181 38.400 38.460 -0.401 0.000 1.125 574 Y HN 0.128 nan 8.280 nan 0.000 0.524 575 E N -0.389 119.867 120.200 0.093 0.000 2.360 575 E HA -0.249 4.101 4.350 -0.000 0.000 0.238 575 E C 0.589 177.343 176.600 0.256 0.000 1.186 575 E CA 0.434 56.912 56.400 0.129 0.000 0.719 575 E CB -1.245 28.509 29.700 0.091 0.000 1.236 575 E HN 0.499 nan 8.360 nan 0.000 0.386 576 A N 0.402 123.317 122.820 0.158 0.000 2.630 576 A HA 0.188 4.508 4.320 -0.000 0.000 0.290 576 A C 1.397 179.028 177.584 0.078 0.000 1.267 576 A CA -0.246 51.824 52.037 0.055 0.000 0.950 576 A CB 0.314 19.252 19.000 -0.104 0.000 1.144 576 A HN 0.155 nan 8.150 nan 0.000 0.527 577 Q N 0.496 120.352 119.800 0.092 0.000 2.197 577 Q HA -0.175 4.165 4.340 -0.000 0.000 0.207 577 Q C 0.544 176.582 176.000 0.063 0.000 0.984 577 Q CA 2.026 57.871 55.803 0.071 0.000 0.869 577 Q CB -0.028 28.744 28.738 0.056 0.000 0.906 577 Q HN 0.562 nan 8.270 nan 0.000 0.426 578 D N -0.908 119.539 120.400 0.078 0.000 2.349 578 D HA 0.093 4.733 4.640 -0.000 0.000 0.214 578 D C -0.195 176.152 176.300 0.078 0.000 1.063 578 D CA 0.076 54.120 54.000 0.074 0.000 0.847 578 D CB 0.292 41.141 40.800 0.083 0.000 0.933 578 D HN 0.225 nan 8.370 nan 0.000 0.513 579 L N 1.520 122.775 121.223 0.054 0.000 2.380 579 L HA 0.122 4.462 4.340 -0.000 0.000 0.273 579 L C 0.584 177.482 176.870 0.047 0.000 1.138 579 L CA -0.024 54.846 54.840 0.050 0.000 0.832 579 L CB 0.773 42.815 42.059 -0.028 0.000 1.124 579 L HN -0.236 nan 8.230 nan 0.000 0.454 580 Q N 4.402 124.245 119.800 0.072 0.000 2.306 580 Q HA 0.468 4.808 4.340 -0.000 0.000 0.265 580 Q C -2.320 173.670 176.000 -0.017 0.000 1.022 580 Q CA -1.907 53.883 55.803 -0.021 0.000 0.853 580 Q CB 2.115 30.773 28.738 -0.133 0.000 1.327 580 Q HN 0.320 nan 8.270 nan 0.000 0.449 581 P HA 0.001 nan 4.420 nan 0.000 0.272 581 P C 0.796 178.062 177.300 -0.057 0.000 1.223 581 P CA -0.367 62.684 63.100 -0.083 0.000 0.784 581 P CB 0.870 32.502 31.700 -0.113 0.000 0.923 582 L N 3.053 124.281 121.223 0.007 0.000 2.129 582 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 582 L C 2.364 179.261 176.870 0.045 0.000 1.087 582 L CA 2.677 57.572 54.840 0.092 0.000 0.757 582 L CB -1.601 40.469 42.059 0.019 0.000 0.896 582 L HN 0.481 nan 8.230 nan 0.000 0.434 583 S N -2.644 113.041 115.700 -0.024 0.000 2.402 583 S HA -0.247 4.223 4.470 -0.000 0.000 0.233 583 S C 1.883 176.433 174.600 -0.083 0.000 1.030 583 S CA 1.696 59.879 58.200 -0.029 0.000 1.003 583 S CB -1.393 61.779 63.200 -0.047 0.000 0.813 583 S HN 0.573 nan 8.310 nan 0.000 0.477 584 T N 1.281 115.704 114.554 -0.218 0.000 2.684 584 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 584 T C 1.393 175.893 174.700 -0.334 0.000 1.036 584 T CA 1.888 63.767 62.100 -0.368 0.000 1.148 584 T CB -0.518 67.960 68.868 -0.649 0.000 0.863 584 T HN 0.628 nan 8.240 nan 0.000 0.436 585 Y N 0.786 121.103 120.300 0.028 0.000 2.286 585 Y HA 0.235 4.785 4.550 -0.000 0.000 0.293 585 Y C 2.175 178.187 175.900 0.187 0.000 1.124 585 Y CA -0.053 58.108 58.100 0.103 0.000 1.178 585 Y CB -0.717 37.798 38.460 0.092 0.000 1.010 585 Y HN 0.120 nan 8.280 nan 0.000 0.536 586 L N 0.075 121.444 121.223 0.243 0.000 2.042 586 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 586 L C 2.276 179.250 176.870 0.174 0.000 1.076 586 L CA 1.682 56.658 54.840 0.227 0.000 0.749 586 L CB -0.492 41.670 42.059 0.173 0.000 0.893 586 L HN 0.174 nan 8.230 nan 0.000 0.432 587 K N -0.449 119.997 120.400 0.076 0.000 2.057 587 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 587 K C 2.153 178.744 176.600 -0.015 0.000 1.050 587 K CA 1.204 57.504 56.287 0.021 0.000 0.935 587 K CB -0.134 32.348 32.500 -0.030 0.000 0.715 587 K HN 0.365 nan 8.250 nan 0.000 0.439 588 Q N -0.348 119.413 119.800 -0.065 0.000 2.152 588 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 588 Q C 1.083 176.847 176.000 -0.393 0.000 0.985 588 Q CA 1.458 57.101 55.803 -0.266 0.000 0.863 588 Q CB -0.029 28.477 28.738 -0.388 0.000 0.904 588 Q HN 0.282 nan 8.270 nan 0.000 0.422 589 F N -1.081 118.910 119.950 0.068 0.000 2.645 589 F HA 0.285 4.811 4.527 -0.000 0.000 0.300 589 F C 1.183 177.028 175.800 0.074 0.000 1.115 589 F CA 0.429 58.474 58.000 0.075 0.000 1.355 589 F CB 0.748 39.802 39.000 0.089 0.000 1.026 589 F HN 0.095 nan 8.300 nan 0.000 0.536 590 G N 0.788 109.674 108.800 0.144 0.000 2.136 590 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.242 590 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.242 590 G C -0.070 174.899 174.900 0.116 0.000 0.989 590 G CA -0.243 44.920 45.100 0.105 0.000 0.682 590 G HN 0.292 nan 8.290 nan 0.000 0.522 591 L N 0.908 122.219 121.223 0.146 0.000 2.325 591 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 591 L C 0.298 177.228 176.870 0.100 0.000 1.023 591 L CA -0.907 54.014 54.840 0.136 0.000 0.811 591 L CB 1.440 43.618 42.059 0.199 0.000 1.249 591 L HN 0.414 nan 8.230 nan 0.000 0.431 592 D N -0.558 119.885 120.400 0.071 0.000 2.253 592 D HA 0.212 4.852 4.640 -0.000 0.000 0.249 592 D C -0.533 175.799 176.300 0.053 0.000 1.049 592 D CA -0.677 53.352 54.000 0.048 0.000 0.929 592 D CB 1.379 42.195 40.800 0.027 0.000 1.176 592 D HN 0.332 nan 8.370 nan 0.000 0.437 593 D N 0.000 120.422 120.400 0.037 0.000 6.856 593 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 593 D CA 0.000 54.021 54.000 0.034 0.000 0.868 593 D CB 0.000 40.810 40.800 0.017 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683