REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ez8_1_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 0.000 174.736 174.700 0.061 0.000 1.109 9 T CA 0.000 62.127 62.100 0.045 0.000 1.349 9 T CB 0.000 68.888 68.868 0.033 0.000 0.612 10 N N 0.213 118.950 118.700 0.062 0.000 2.328 10 N HA 0.787 5.527 4.740 -0.000 0.000 0.299 10 N C -1.605 173.951 175.510 0.078 0.000 1.179 10 N CA -0.705 52.387 53.050 0.070 0.000 0.793 10 N CB 2.862 41.380 38.487 0.051 0.000 1.366 10 N HN 0.397 nan 8.380 nan 0.000 0.493 11 I N 1.097 121.714 120.570 0.079 0.000 2.769 11 I HA 0.350 4.520 4.170 -0.000 0.000 0.298 11 I C -1.212 174.911 176.117 0.009 0.000 1.128 11 I CA -0.823 60.508 61.300 0.052 0.000 1.031 11 I CB 1.546 39.596 38.000 0.082 0.000 1.235 11 I HN 0.376 nan 8.210 nan 0.000 0.423 12 L N 6.465 127.684 121.223 -0.007 0.000 2.499 12 L HA 0.134 4.474 4.340 -0.000 0.000 0.273 12 L C 1.592 178.406 176.870 -0.093 0.000 1.195 12 L CA 0.212 55.042 54.840 -0.016 0.000 0.882 12 L CB 1.115 43.183 42.059 0.015 0.000 1.133 12 L HN 0.866 nan 8.230 nan 0.000 0.483 13 A N 3.716 126.483 122.820 -0.089 0.000 1.948 13 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 13 A C 2.137 179.590 177.584 -0.218 0.000 1.177 13 A CA 2.016 53.963 52.037 -0.150 0.000 0.636 13 A CB -0.920 18.020 19.000 -0.101 0.000 0.815 13 A HN 0.991 nan 8.150 nan 0.000 0.449 14 G N -0.755 107.923 108.800 -0.203 0.000 2.402 14 G HA2 0.031 3.991 3.960 -0.000 0.000 0.216 14 G HA3 0.031 3.991 3.960 -0.000 0.000 0.216 14 G C 1.751 176.504 174.900 -0.245 0.000 1.162 14 G CA 1.364 46.314 45.100 -0.250 0.000 0.777 14 G HN 0.817 nan 8.290 nan 0.000 0.539 15 A N 1.277 123.974 122.820 -0.205 0.000 1.902 15 A HA 0.223 4.543 4.320 -0.000 0.000 0.217 15 A C 2.827 180.211 177.584 -0.333 0.000 1.181 15 A CA 2.354 54.270 52.037 -0.202 0.000 0.623 15 A CB -0.848 18.078 19.000 -0.123 0.000 0.818 15 A HN 0.797 nan 8.150 nan 0.000 0.443 16 A N -0.628 121.898 122.820 -0.491 0.000 1.902 16 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 16 A C 2.243 179.362 177.584 -0.774 0.000 1.181 16 A CA 1.797 53.238 52.037 -0.992 0.000 0.623 16 A CB -0.983 17.273 19.000 -1.240 0.000 0.818 16 A HN 0.393 nan 8.150 nan 0.000 0.443 17 V N 0.724 120.364 119.914 -0.457 0.000 2.287 17 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 17 V C 2.435 178.381 176.094 -0.247 0.000 1.053 17 V CA 1.934 64.050 62.300 -0.306 0.000 1.027 17 V CB -0.659 31.016 31.823 -0.247 0.000 0.646 17 V HN 0.540 nan 8.190 nan 0.000 0.447 18 I N -0.327 120.098 120.570 -0.241 0.000 2.286 18 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 18 I C 2.408 178.448 176.117 -0.128 0.000 1.115 18 I CA 1.440 62.636 61.300 -0.172 0.000 1.392 18 I CB -1.349 36.554 38.000 -0.161 0.000 1.065 18 I HN 0.305 nan 8.210 nan 0.000 0.418 19 K N 0.789 121.079 120.400 -0.185 0.000 2.147 19 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 19 K C 2.291 178.924 176.600 0.056 0.000 1.049 19 K CA 0.715 56.963 56.287 -0.065 0.000 0.936 19 K CB -0.829 31.627 32.500 -0.073 0.000 0.722 19 K HN 0.215 nan 8.250 nan 0.000 0.446 20 V N 1.821 121.727 119.914 -0.013 0.000 2.295 20 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 20 V C 2.408 178.649 176.094 0.245 0.000 1.049 20 V CA 1.445 63.857 62.300 0.187 0.000 1.024 20 V CB -0.478 31.415 31.823 0.117 0.000 0.648 20 V HN 0.184 nan 8.190 nan 0.000 0.447 21 L N -0.357 120.921 121.223 0.091 0.000 2.046 21 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 21 L C 2.587 179.519 176.870 0.104 0.000 1.077 21 L CA 1.812 56.699 54.840 0.078 0.000 0.747 21 L CB -0.738 41.307 42.059 -0.024 0.000 0.896 21 L HN 0.399 nan 8.230 nan 0.000 0.432 22 E N 0.288 120.524 120.200 0.060 0.000 2.077 22 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 22 E C 2.318 178.960 176.600 0.070 0.000 0.989 22 E CA 1.198 57.627 56.400 0.047 0.000 0.800 22 E CB -0.195 29.520 29.700 0.025 0.000 0.746 22 E HN 0.501 nan 8.360 nan 0.000 0.452 23 A N 0.545 123.423 122.820 0.097 0.000 1.933 23 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 23 A C 1.465 179.007 177.584 -0.070 0.000 1.175 23 A CA 0.995 53.039 52.037 0.011 0.000 0.628 23 A CB -0.898 18.110 19.000 0.014 0.000 0.814 23 A HN 0.370 nan 8.150 nan 0.000 0.444 24 W N -0.707 120.590 121.300 -0.004 0.000 3.077 24 W HA 0.345 5.005 4.660 -0.000 0.000 0.245 24 W C 1.569 178.060 176.519 -0.047 0.000 1.316 24 W CA 0.875 58.202 57.345 -0.030 0.000 1.537 24 W CB -0.094 29.359 29.460 -0.013 0.000 1.131 24 W HN 0.580 nan 8.180 nan 0.000 0.695 25 G N 0.126 108.997 108.800 0.118 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 -0.022 174.897 174.900 0.033 0.000 1.005 25 G CA -0.052 45.081 45.100 0.055 0.000 0.713 25 G HN 0.025 nan 8.290 nan 0.000 0.515 26 V N 0.772 120.705 119.914 0.032 0.000 2.450 26 V HA 0.236 4.356 4.120 -0.000 0.000 0.281 26 V C 1.481 177.533 176.094 -0.070 0.000 1.019 26 V CA 1.153 63.423 62.300 -0.050 0.000 1.062 26 V CB 1.271 33.062 31.823 -0.052 0.000 0.979 26 V HN 0.516 nan 8.190 nan 0.000 0.477 27 D N 3.225 123.553 120.400 -0.121 0.000 2.197 27 D HA -0.018 4.622 4.640 -0.000 0.000 0.212 27 D C 0.737 177.062 176.300 0.041 0.000 0.963 27 D CA 0.846 54.843 54.000 -0.004 0.000 0.864 27 D CB 0.342 41.181 40.800 0.065 0.000 1.009 27 D HN 0.800 nan 8.370 nan 0.000 0.479 28 H N -1.226 117.814 119.070 -0.050 0.000 2.961 28 H HA 0.536 5.092 4.556 -0.000 0.000 0.371 28 H C -0.775 174.387 175.328 -0.276 0.000 1.190 28 H CA -1.185 54.773 56.048 -0.151 0.000 1.138 28 H CB 1.078 30.704 29.762 -0.227 0.000 1.816 28 H HN 0.127 nan 8.280 nan 0.000 0.551 29 L N -0.570 120.520 121.223 -0.222 0.000 2.469 29 L HA 0.697 5.037 4.340 -0.000 0.000 0.256 29 L C -1.995 174.698 176.870 -0.295 0.000 1.006 29 L CA -1.210 53.487 54.840 -0.239 0.000 0.832 29 L CB 2.457 44.542 42.059 0.044 0.000 1.421 29 L HN 0.482 nan 8.230 nan 0.000 0.410 30 Y N 0.099 120.462 120.300 0.105 0.000 2.485 30 Y HA 0.981 5.531 4.550 -0.000 0.000 0.345 30 Y C 0.655 176.344 175.900 -0.350 0.000 0.998 30 Y CA -0.129 57.941 58.100 -0.049 0.000 1.059 30 Y CB 2.383 40.788 38.460 -0.092 0.000 1.234 30 Y HN 1.048 nan 8.280 nan 0.000 0.461 31 G N 1.014 109.644 108.800 -0.283 0.000 2.325 31 G HA2 0.488 4.448 3.960 -0.000 0.000 0.295 31 G HA3 0.488 4.448 3.960 -0.000 0.000 0.295 31 G C -2.232 172.516 174.900 -0.255 0.000 1.274 31 G CA -0.927 43.634 45.100 -0.898 0.000 0.857 31 G HN 0.503 nan 8.290 nan 0.000 0.499 32 I N 2.071 122.526 120.570 -0.191 0.000 2.533 32 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 32 I C -2.153 174.154 176.117 0.317 0.000 1.056 32 I CA -2.007 59.389 61.300 0.160 0.000 1.057 32 I CB 2.941 40.999 38.000 0.097 0.000 1.240 32 I HN 0.312 nan 8.210 nan 0.000 0.423 33 P HA 0.429 nan 4.420 nan 0.000 0.276 33 P C -0.456 176.941 177.300 0.161 0.000 1.261 33 P CA -0.086 63.160 63.100 0.243 0.000 0.800 33 P CB 1.438 33.225 31.700 0.144 0.000 1.066 34 G N -1.593 107.269 108.800 0.104 0.000 2.646 34 G HA2 0.435 4.395 3.960 -0.000 0.000 0.291 34 G HA3 0.435 4.395 3.960 -0.000 0.000 0.291 34 G C 0.694 175.628 174.900 0.058 0.000 1.445 34 G CA -0.115 45.039 45.100 0.090 0.000 0.814 34 G HN 0.472 nan 8.290 nan 0.000 0.495 35 G N 0.112 108.959 108.800 0.078 0.000 2.469 35 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.220 35 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.220 35 G C 2.042 176.947 174.900 0.008 0.000 1.136 35 G CA 2.326 47.465 45.100 0.064 0.000 0.759 35 G HN 1.574 nan 8.290 nan 0.000 0.562 36 S N -0.665 115.042 115.700 0.012 0.000 2.555 36 S HA 0.183 4.653 4.470 -0.000 0.000 0.230 36 S C 1.623 176.163 174.600 -0.100 0.000 0.978 36 S CA 0.742 58.921 58.200 -0.035 0.000 0.934 36 S CB 0.052 63.268 63.200 0.027 0.000 0.766 36 S HN 0.330 nan 8.310 nan 0.000 0.533 37 I N 0.311 120.813 120.570 -0.113 0.000 3.994 37 I HA 0.326 4.496 4.170 -0.000 0.000 0.323 37 I C 0.623 176.559 176.117 -0.303 0.000 1.501 37 I CA -0.129 61.041 61.300 -0.217 0.000 1.112 37 I CB 0.355 38.256 38.000 -0.165 0.000 1.254 37 I HN 0.004 nan 8.210 nan 0.000 0.495 38 N N 0.556 119.108 118.700 -0.247 0.000 2.459 38 N HA -0.090 4.650 4.740 -0.000 0.000 0.181 38 N C 1.959 177.202 175.510 -0.445 0.000 1.046 38 N CA 1.417 54.343 53.050 -0.207 0.000 0.904 38 N CB 0.123 38.628 38.487 0.029 0.000 0.964 38 N HN 0.514 nan 8.380 nan 0.000 0.444 39 S N -0.179 114.953 115.700 -0.946 0.000 2.425 39 S HA 0.070 4.539 4.470 -0.000 0.000 0.225 39 S C 1.894 176.017 174.600 -0.794 0.000 1.024 39 S CA 0.161 57.457 58.200 -1.506 0.000 0.951 39 S CB -0.063 61.700 63.200 -2.394 0.000 0.796 39 S HN 0.044 nan 8.310 nan 0.000 0.498 40 I N 1.951 122.151 120.570 -0.616 0.000 2.252 40 I HA -0.068 4.102 4.170 -0.000 0.000 0.245 40 I C 2.399 178.233 176.117 -0.472 0.000 1.102 40 I CA 1.242 62.238 61.300 -0.507 0.000 1.385 40 I CB -1.037 36.646 38.000 -0.528 0.000 1.064 40 I HN 0.319 nan 8.210 nan 0.000 0.414 41 M N -0.055 119.266 119.600 -0.465 0.000 2.149 41 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 41 M C 1.942 178.102 176.300 -0.233 0.000 1.064 41 M CA 1.553 56.627 55.300 -0.377 0.000 1.102 41 M CB -1.435 30.998 32.600 -0.278 0.000 1.369 41 M HN 0.156 nan 8.290 nan 0.000 0.408 42 D N 0.200 120.492 120.400 -0.181 0.000 2.144 42 D HA -0.030 4.610 4.640 -0.000 0.000 0.199 42 D C 1.923 178.181 176.300 -0.070 0.000 0.984 42 D CA 1.558 55.536 54.000 -0.038 0.000 0.834 42 D CB 0.143 41.033 40.800 0.150 0.000 0.955 42 D HN 0.290 nan 8.370 nan 0.000 0.465 43 A N 0.113 122.840 122.820 -0.156 0.000 1.898 43 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 43 A C 2.463 179.963 177.584 -0.139 0.000 1.181 43 A CA 0.778 52.727 52.037 -0.147 0.000 0.620 43 A CB -0.742 18.133 19.000 -0.208 0.000 0.819 43 A HN 0.309 nan 8.150 nan 0.000 0.442 44 L N -0.645 120.468 121.223 -0.183 0.000 2.042 44 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 44 L C 2.935 179.756 176.870 -0.082 0.000 1.076 44 L CA 1.577 56.325 54.840 -0.153 0.000 0.749 44 L CB -0.449 41.471 42.059 -0.231 0.000 0.893 44 L HN 0.504 nan 8.230 nan 0.000 0.432 45 S N -0.338 115.320 115.700 -0.070 0.000 2.370 45 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 45 S C 2.057 176.656 174.600 -0.002 0.000 1.033 45 S CA 1.377 59.569 58.200 -0.013 0.000 1.011 45 S CB -0.130 63.069 63.200 -0.002 0.000 0.852 45 S HN 0.466 nan 8.310 nan 0.000 0.457 46 A N 0.482 123.292 122.820 -0.016 0.000 2.067 46 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 46 A C 1.753 179.328 177.584 -0.015 0.000 1.158 46 A CA 1.102 53.134 52.037 -0.008 0.000 0.661 46 A CB -0.202 18.791 19.000 -0.011 0.000 0.801 46 A HN 0.503 nan 8.150 nan 0.000 0.452 47 E N -0.507 119.672 120.200 -0.035 0.000 2.499 47 E HA 0.014 4.364 4.350 -0.000 0.000 0.199 47 E C 1.522 178.084 176.600 -0.063 0.000 1.016 47 E CA 0.047 56.417 56.400 -0.050 0.000 0.933 47 E CB 0.053 29.708 29.700 -0.075 0.000 1.050 47 E HN 0.860 nan 8.360 nan 0.000 0.462 48 R N 0.153 120.640 120.500 -0.022 0.000 2.241 48 R HA -0.057 4.283 4.340 -0.000 0.000 0.224 48 R C 0.669 176.974 176.300 0.007 0.000 1.101 48 R CA 1.045 57.146 56.100 0.002 0.000 0.995 48 R CB -0.027 30.320 30.300 0.079 0.000 0.870 48 R HN -0.155 nan 8.270 nan 0.000 0.463 49 D N 0.689 121.098 120.400 0.015 0.000 2.269 49 D HA -0.042 4.598 4.640 -0.000 0.000 0.208 49 D C 1.566 177.877 176.300 0.018 0.000 0.963 49 D CA 0.820 54.858 54.000 0.062 0.000 0.864 49 D CB 0.163 40.994 40.800 0.051 0.000 0.936 49 D HN 0.337 nan 8.370 nan 0.000 0.505 50 R N -0.587 119.844 120.500 -0.115 0.000 2.316 50 R HA 0.346 4.686 4.340 -0.000 0.000 0.201 50 R C 0.656 176.771 176.300 -0.309 0.000 0.888 50 R CA -0.099 55.925 56.100 -0.126 0.000 1.041 50 R CB 1.534 31.798 30.300 -0.059 0.000 1.115 50 R HN 0.145 nan 8.270 nan 0.000 0.559 51 I N 1.466 121.741 120.570 -0.491 0.000 2.686 51 I HA 0.281 4.451 4.170 -0.000 0.000 0.295 51 I C -1.247 174.504 176.117 -0.610 0.000 1.114 51 I CA -0.890 60.124 61.300 -0.477 0.000 1.038 51 I CB 2.244 40.130 38.000 -0.190 0.000 1.238 51 I HN 0.041 nan 8.210 nan 0.000 0.420 52 H N 6.867 125.963 119.070 0.044 0.000 2.638 52 H HA 0.170 4.726 4.556 -0.000 0.000 0.303 52 H C -1.325 174.030 175.328 0.046 0.000 1.034 52 H CA -0.431 55.647 56.048 0.050 0.000 1.225 52 H CB 1.004 30.779 29.762 0.022 0.000 1.394 52 H HN 0.481 nan 8.280 nan 0.000 0.477 53 Y N 4.800 125.130 120.300 0.050 0.000 2.402 53 Y HA 0.149 4.699 4.550 -0.000 0.000 0.333 53 Y C -0.580 175.304 175.900 -0.025 0.000 1.076 53 Y CA -0.758 57.362 58.100 0.034 0.000 1.299 53 Y CB 0.401 38.919 38.460 0.098 0.000 1.197 53 Y HN 0.420 nan 8.280 nan 0.000 0.517 54 I N 7.616 127.787 120.570 -0.665 0.000 2.330 54 I HA 0.162 4.332 4.170 -0.000 0.000 0.286 54 I C -0.160 175.487 176.117 -0.783 0.000 1.025 54 I CA -0.620 60.174 61.300 -0.843 0.000 1.197 54 I CB 1.121 38.719 38.000 -0.669 0.000 1.358 54 I HN 0.621 nan 8.210 nan 0.000 0.467 55 Q N 7.171 126.561 119.800 -0.683 0.000 2.307 55 Q HA 0.336 4.676 4.340 -0.000 0.000 0.259 55 Q C -0.698 175.326 176.000 0.039 0.000 0.998 55 Q CA -0.235 55.407 55.803 -0.268 0.000 0.923 55 Q CB 1.480 30.202 28.738 -0.027 0.000 1.196 55 Q HN 0.601 nan 8.270 nan 0.000 0.416 56 V N 2.923 122.864 119.914 0.045 0.000 3.262 56 V HA 0.482 4.602 4.120 -0.000 0.000 0.313 56 V C 0.729 176.873 176.094 0.084 0.000 1.070 56 V CA -0.722 61.621 62.300 0.072 0.000 1.049 56 V CB 1.358 33.204 31.823 0.038 0.000 1.157 56 V HN 0.698 nan 8.190 nan 0.000 0.454 57 R N -0.356 120.195 120.500 0.085 0.000 2.312 57 R HA 0.312 4.652 4.340 -0.000 0.000 0.205 57 R C 0.200 176.577 176.300 0.128 0.000 0.904 57 R CA 0.398 56.554 56.100 0.093 0.000 1.052 57 R CB -0.587 29.759 30.300 0.077 0.000 1.014 57 R HN 0.947 nan 8.270 nan 0.000 0.503 58 H N -0.191 118.875 119.070 -0.006 0.000 3.026 58 H HA 0.174 4.730 4.556 -0.000 0.000 0.352 58 H C -0.207 175.091 175.328 -0.051 0.000 1.090 58 H CA -0.227 55.795 56.048 -0.043 0.000 1.268 58 H CB 1.602 31.291 29.762 -0.122 0.000 1.816 58 H HN -0.213 nan 8.280 nan 0.000 0.518 59 E N 2.246 122.504 120.200 0.097 0.000 2.204 59 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 59 E C 1.779 178.469 176.600 0.150 0.000 0.990 59 E CA 1.350 57.813 56.400 0.104 0.000 0.821 59 E CB 0.176 29.933 29.700 0.095 0.000 0.750 59 E HN 0.787 nan 8.360 nan 0.000 0.477 60 E N 0.630 121.017 120.200 0.312 0.000 2.153 60 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 60 E C 1.807 178.401 176.600 -0.010 0.000 0.988 60 E CA 1.369 57.836 56.400 0.111 0.000 0.811 60 E CB -0.214 29.487 29.700 0.002 0.000 0.746 60 E HN 0.127 nan 8.360 nan 0.000 0.466 61 V N 1.516 121.410 119.914 -0.033 0.000 2.427 61 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 61 V C 2.522 178.494 176.094 -0.205 0.000 1.051 61 V CA 1.855 64.090 62.300 -0.108 0.000 1.048 61 V CB -0.858 30.917 31.823 -0.081 0.000 0.666 61 V HN 0.560 nan 8.190 nan 0.000 0.456 62 G N -0.202 108.504 108.800 -0.156 0.000 2.421 62 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 62 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 62 G C 1.787 176.553 174.900 -0.224 0.000 1.171 62 G CA 1.079 46.043 45.100 -0.227 0.000 0.775 62 G HN 0.595 nan 8.290 nan 0.000 0.543 63 A N 0.478 123.242 122.820 -0.093 0.000 1.902 63 A HA 0.025 4.344 4.320 -0.000 0.000 0.217 63 A C 2.480 180.011 177.584 -0.088 0.000 1.181 63 A CA 1.889 53.894 52.037 -0.054 0.000 0.623 63 A CB -0.364 18.640 19.000 0.007 0.000 0.818 63 A HN 0.388 nan 8.150 nan 0.000 0.443 64 M N -0.655 118.884 119.600 -0.103 0.000 2.132 64 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 64 M C 2.496 178.704 176.300 -0.153 0.000 1.065 64 M CA 1.374 56.619 55.300 -0.092 0.000 1.122 64 M CB -0.332 32.227 32.600 -0.069 0.000 1.365 64 M HN 0.481 nan 8.290 nan 0.000 0.411 65 A N 0.263 122.890 122.820 -0.322 0.000 1.930 65 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 65 A C 2.343 179.773 177.584 -0.256 0.000 1.175 65 A CA 1.774 53.540 52.037 -0.452 0.000 0.627 65 A CB -0.878 17.483 19.000 -1.066 0.000 0.815 65 A HN 0.490 nan 8.150 nan 0.000 0.443 66 A N 0.010 122.713 122.820 -0.195 0.000 1.902 66 A HA 0.139 4.458 4.320 -0.000 0.000 0.217 66 A C 2.515 180.113 177.584 0.024 0.000 1.181 66 A CA 2.128 54.218 52.037 0.089 0.000 0.623 66 A CB -1.048 18.014 19.000 0.104 0.000 0.818 66 A HN 1.046 nan 8.150 nan 0.000 0.443 67 A N -0.107 122.696 122.820 -0.027 0.000 1.883 67 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 67 A C 2.527 180.106 177.584 -0.008 0.000 1.186 67 A CA 2.302 54.322 52.037 -0.029 0.000 0.624 67 A CB -1.084 17.894 19.000 -0.037 0.000 0.822 67 A HN 1.100 nan 8.150 nan 0.000 0.444 68 A N -0.283 122.536 122.820 -0.001 0.000 1.902 68 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 68 A C 1.802 179.432 177.584 0.078 0.000 1.181 68 A CA 1.795 53.849 52.037 0.029 0.000 0.623 68 A CB -0.633 18.380 19.000 0.022 0.000 0.818 68 A HN 0.477 nan 8.150 nan 0.000 0.443 69 D N 0.223 120.690 120.400 0.112 0.000 2.126 69 D HA -0.193 4.447 4.640 -0.000 0.000 0.190 69 D C 2.236 178.590 176.300 0.089 0.000 1.001 69 D CA 1.931 56.020 54.000 0.148 0.000 0.841 69 D CB -0.415 40.492 40.800 0.178 0.000 0.949 69 D HN 0.432 nan 8.370 nan 0.000 0.446 70 A N 0.904 123.752 122.820 0.046 0.000 1.930 70 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 70 A C 2.069 179.680 177.584 0.045 0.000 1.175 70 A CA 1.463 53.516 52.037 0.027 0.000 0.627 70 A CB -0.331 18.655 19.000 -0.024 0.000 0.815 70 A HN 0.188 nan 8.150 nan 0.000 0.443 71 K N -0.343 120.075 120.400 0.030 0.000 2.063 71 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 71 K C 1.784 178.421 176.600 0.063 0.000 1.048 71 K CA 1.495 57.795 56.287 0.022 0.000 0.928 71 K CB -0.372 32.124 32.500 -0.006 0.000 0.713 71 K HN 0.464 nan 8.250 nan 0.000 0.442 72 L N 0.158 121.447 121.223 0.110 0.000 2.068 72 L HA -0.096 4.244 4.340 -0.000 0.000 0.204 72 L C 2.572 179.575 176.870 0.222 0.000 1.076 72 L CA 1.475 56.428 54.840 0.189 0.000 0.753 72 L CB -0.376 41.861 42.059 0.296 0.000 0.910 72 L HN 0.347 nan 8.230 nan 0.000 0.439 73 T N -5.123 109.533 114.554 0.170 0.000 2.990 73 T HA 0.264 4.614 4.350 -0.000 0.000 0.250 73 T C 1.486 176.264 174.700 0.131 0.000 1.041 73 T CA 0.516 62.704 62.100 0.147 0.000 1.010 73 T CB 0.882 69.796 68.868 0.076 0.000 1.003 73 T HN 0.390 nan 8.240 nan 0.000 0.499 74 G N 1.549 110.426 108.800 0.128 0.000 2.179 74 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 74 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 74 G C -0.002 175.028 174.900 0.217 0.000 0.977 74 G CA 0.470 45.666 45.100 0.160 0.000 0.641 74 G HN 0.924 nan 8.290 nan 0.000 0.533 75 K N 0.833 121.324 120.400 0.152 0.000 2.172 75 K HA 0.657 4.977 4.320 -0.000 0.000 0.276 75 K C 0.746 177.348 176.600 0.003 0.000 1.013 75 K CA -1.055 55.331 56.287 0.164 0.000 0.913 75 K CB 0.778 33.329 32.500 0.086 0.000 1.055 75 K HN 0.364 nan 8.250 nan 0.000 0.461 76 I N 3.764 124.227 120.570 -0.180 0.000 2.826 76 I HA 0.032 4.202 4.170 -0.000 0.000 0.295 76 I C 0.372 176.372 176.117 -0.194 0.000 1.213 76 I CA 0.725 61.785 61.300 -0.399 0.000 1.436 76 I CB 0.177 37.730 38.000 -0.744 0.000 1.348 76 I HN 0.848 nan 8.210 nan 0.000 0.570 77 G N 6.279 114.995 108.800 -0.140 0.000 2.448 77 G HA2 0.531 4.491 3.960 -0.000 0.000 0.285 77 G HA3 0.531 4.491 3.960 -0.000 0.000 0.285 77 G C -1.089 173.782 174.900 -0.049 0.000 1.176 77 G CA -0.447 44.626 45.100 -0.045 0.000 0.852 77 G HN 0.535 nan 8.290 nan 0.000 0.530 78 V N 0.572 120.500 119.914 0.023 0.000 2.686 78 V HA 0.568 4.688 4.120 -0.000 0.000 0.306 78 V C 0.137 176.320 176.094 0.148 0.000 1.065 78 V CA -0.752 61.565 62.300 0.027 0.000 0.894 78 V CB 0.970 32.779 31.823 -0.023 0.000 1.004 78 V HN 1.262 nan 8.190 nan 0.000 0.424 79 C N 3.384 122.764 119.300 0.133 0.000 3.236 79 C HA 1.026 5.486 4.460 -0.000 0.000 0.312 79 C C -0.994 174.103 174.990 0.179 0.000 1.374 79 C CA -1.038 58.069 59.018 0.148 0.000 1.455 79 C CB 1.384 29.175 27.740 0.084 0.000 1.834 79 C HN 1.089 nan 8.230 nan 0.000 0.460 80 F N -0.623 119.364 119.950 0.061 0.000 2.668 80 F HA 0.907 5.433 4.527 -0.000 0.000 0.309 80 F C -0.381 175.442 175.800 0.038 0.000 1.117 80 F CA -0.246 57.757 58.000 0.006 0.000 0.951 80 F CB 1.348 40.328 39.000 -0.033 0.000 1.323 80 F HN 1.176 nan 8.300 nan 0.000 0.451 81 G N 0.627 109.553 108.800 0.211 0.000 2.706 81 G HA2 0.541 4.501 3.960 -0.000 0.000 0.297 81 G HA3 0.541 4.501 3.960 -0.000 0.000 0.297 81 G C -1.299 173.709 174.900 0.181 0.000 1.403 81 G CA -0.589 44.596 45.100 0.143 0.000 0.954 81 G HN 1.078 nan 8.290 nan 0.000 0.500 82 S N 0.460 116.253 115.700 0.156 0.000 2.596 82 S HA 0.605 5.075 4.470 -0.000 0.000 0.260 82 S C 0.995 175.632 174.600 0.063 0.000 1.336 82 S CA 0.178 58.440 58.200 0.102 0.000 0.993 82 S CB 1.008 64.265 63.200 0.094 0.000 0.923 82 S HN 1.910 nan 8.310 nan 0.000 0.567 83 A N 1.124 123.972 122.820 0.046 0.000 2.561 83 A HA 0.519 4.839 4.320 -0.000 0.000 0.234 83 A C 1.513 179.104 177.584 0.012 0.000 1.055 83 A CA 0.318 52.379 52.037 0.040 0.000 0.756 83 A CB -1.475 17.556 19.000 0.053 0.000 0.986 83 A HN 2.463 nan 8.150 nan 0.000 0.505 84 G N 2.254 111.066 108.800 0.019 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 -0.648 174.232 174.900 -0.032 0.000 1.162 84 G CA 0.389 45.474 45.100 -0.026 0.000 0.964 84 G HN 0.851 nan 8.290 nan 0.000 0.541 85 P HA -0.023 nan 4.420 nan 0.000 0.220 85 P C 1.930 179.111 177.300 -0.198 0.000 1.148 85 P CA 2.533 65.519 63.100 -0.190 0.000 0.803 85 P CB -0.684 30.876 31.700 -0.233 0.000 0.782 86 G N 0.611 109.369 108.800 -0.069 0.000 2.433 86 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 86 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 86 G C 1.890 176.839 174.900 0.081 0.000 1.186 86 G CA 0.955 46.061 45.100 0.010 0.000 0.779 86 G HN 0.365 nan 8.290 nan 0.000 0.543 87 G N 0.492 109.360 108.800 0.113 0.000 2.402 87 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 87 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 87 G C 2.016 177.094 174.900 0.296 0.000 1.162 87 G CA 2.212 47.441 45.100 0.214 0.000 0.777 87 G HN 0.594 nan 8.290 nan 0.000 0.539 88 T N -2.277 112.387 114.554 0.183 0.000 2.915 88 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 88 T C 1.931 176.753 174.700 0.204 0.000 1.071 88 T CA 1.463 63.639 62.100 0.127 0.000 1.132 88 T CB -0.650 68.226 68.868 0.013 0.000 0.878 88 T HN 0.540 nan 8.240 nan 0.000 0.479 89 H N 0.565 119.693 119.070 0.097 0.000 2.489 89 H HA 0.171 4.727 4.556 -0.000 0.000 0.293 89 H C 1.908 177.336 175.328 0.168 0.000 1.066 89 H CA 0.648 56.770 56.048 0.123 0.000 1.305 89 H CB -0.148 29.611 29.762 -0.006 0.000 1.386 89 H HN 0.316 nan 8.280 nan 0.000 0.551 90 L N -0.109 121.274 121.223 0.266 0.000 2.275 90 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 90 L C 2.167 179.151 176.870 0.190 0.000 1.119 90 L CA 0.100 55.054 54.840 0.189 0.000 0.790 90 L CB -0.198 41.955 42.059 0.156 0.000 0.919 90 L HN 0.372 nan 8.230 nan 0.000 0.443 91 M N -0.014 119.729 119.600 0.238 0.000 2.106 91 M HA -0.250 4.230 4.480 -0.000 0.000 0.259 91 M C 1.864 178.336 176.300 0.286 0.000 1.068 91 M CA 1.828 57.293 55.300 0.276 0.000 1.100 91 M CB -1.373 31.390 32.600 0.273 0.000 1.351 91 M HN 0.290 nan 8.290 nan 0.000 0.404 92 N N 0.029 118.879 118.700 0.250 0.000 2.244 92 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 92 N C 1.762 177.395 175.510 0.205 0.000 1.016 92 N CA 1.464 54.703 53.050 0.315 0.000 0.866 92 N CB -0.523 38.128 38.487 0.274 0.000 0.980 92 N HN 0.487 nan 8.380 nan 0.000 0.430 93 G N 0.168 109.034 108.800 0.111 0.000 2.430 93 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.216 93 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.216 93 G C 1.397 176.287 174.900 -0.017 0.000 1.146 93 G CA 0.215 45.339 45.100 0.040 0.000 0.793 93 G HN 0.185 nan 8.290 nan 0.000 0.537 94 L N -1.050 120.161 121.223 -0.020 0.000 2.056 94 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 94 L C 2.612 179.314 176.870 -0.280 0.000 1.078 94 L CA 0.871 55.640 54.840 -0.119 0.000 0.749 94 L CB -0.517 41.488 42.059 -0.090 0.000 0.901 94 L HN 0.143 nan 8.230 nan 0.000 0.433 95 Y N 0.351 120.435 120.300 -0.359 0.000 2.242 95 Y HA -0.280 4.270 4.550 -0.000 0.000 0.291 95 Y C 2.430 177.911 175.900 -0.698 0.000 1.137 95 Y CA 1.740 59.391 58.100 -0.748 0.000 1.181 95 Y CB -0.287 37.246 38.460 -1.545 0.000 0.989 95 Y HN 0.251 nan 8.280 nan 0.000 0.527 96 D N -0.334 119.887 120.400 -0.299 0.000 2.097 96 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 96 D C 2.226 178.485 176.300 -0.068 0.000 0.989 96 D CA 1.447 55.426 54.000 -0.034 0.000 0.827 96 D CB -0.245 40.611 40.800 0.093 0.000 0.966 96 D HN 0.240 nan 8.370 nan 0.000 0.456 97 A N 0.312 123.072 122.820 -0.100 0.000 1.933 97 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 97 A C 2.284 179.810 177.584 -0.097 0.000 1.175 97 A CA 1.664 53.644 52.037 -0.095 0.000 0.628 97 A CB -0.644 18.299 19.000 -0.096 0.000 0.814 97 A HN 0.255 nan 8.150 nan 0.000 0.444 98 R N -0.517 119.897 120.500 -0.144 0.000 2.062 98 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 98 R C 1.871 178.157 176.300 -0.023 0.000 1.136 98 R CA 1.613 57.648 56.100 -0.108 0.000 0.948 98 R CB -0.223 29.951 30.300 -0.210 0.000 0.845 98 R HN 0.420 nan 8.270 nan 0.000 0.430 99 E N 0.641 120.827 120.200 -0.024 0.000 2.150 99 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 99 E C 1.080 177.716 176.600 0.060 0.000 0.985 99 E CA 1.051 57.491 56.400 0.067 0.000 0.814 99 E CB -0.127 29.654 29.700 0.135 0.000 0.752 99 E HN 0.385 nan 8.360 nan 0.000 0.466 100 D N -0.068 120.303 120.400 -0.048 0.000 2.328 100 D HA -0.020 4.620 4.640 -0.000 0.000 0.226 100 D C -0.394 175.556 176.300 -0.584 0.000 1.066 100 D CA 0.217 54.062 54.000 -0.259 0.000 0.861 100 D CB -0.574 40.118 40.800 -0.180 0.000 0.912 100 D HN 0.363 nan 8.370 nan 0.000 0.521 101 H N -2.230 116.847 119.070 0.010 0.000 2.592 101 H HA -0.149 4.407 4.556 -0.000 0.000 0.323 101 H C -0.650 174.686 175.328 0.014 0.000 1.117 101 H CA 0.322 56.377 56.048 0.013 0.000 1.120 101 H CB -2.625 27.154 29.762 0.028 0.000 1.561 101 H HN 0.010 nan 8.280 nan 0.000 0.409 102 V N -2.628 117.275 119.914 -0.020 0.000 2.769 102 V HA 0.779 4.899 4.120 -0.000 0.000 0.312 102 V C -2.405 173.661 176.094 -0.046 0.000 1.061 102 V CA -2.481 59.809 62.300 -0.017 0.000 0.931 102 V CB 2.642 34.434 31.823 -0.051 0.000 1.010 102 V HN 0.278 nan 8.190 nan 0.000 0.433 103 P HA 0.385 nan 4.420 nan 0.000 0.276 103 P C -0.855 176.311 177.300 -0.223 0.000 1.243 103 P CA -0.013 62.965 63.100 -0.204 0.000 0.768 103 P CB 1.503 32.953 31.700 -0.415 0.000 0.856 104 V N 4.956 124.755 119.914 -0.191 0.000 2.760 104 V HA 0.285 4.405 4.120 -0.000 0.000 0.309 104 V C -0.237 175.759 176.094 -0.163 0.000 1.077 104 V CA -0.835 61.372 62.300 -0.156 0.000 0.910 104 V CB 2.314 34.077 31.823 -0.100 0.000 1.008 104 V HN 0.391 nan 8.190 nan 0.000 0.424 105 L N 4.483 125.610 121.223 -0.159 0.000 2.282 105 L HA 0.926 5.266 4.340 -0.000 0.000 0.288 105 L C 0.093 176.912 176.870 -0.085 0.000 1.033 105 L CA -0.056 54.700 54.840 -0.141 0.000 0.807 105 L CB 1.250 43.205 42.059 -0.174 0.000 1.209 105 L HN 0.802 nan 8.230 nan 0.000 0.423 106 A N 6.524 129.289 122.820 -0.091 0.000 2.318 106 A HA 0.714 5.034 4.320 -0.000 0.000 0.317 106 A C -1.161 176.363 177.584 -0.101 0.000 1.159 106 A CA -0.574 51.417 52.037 -0.077 0.000 0.799 106 A CB 0.614 19.541 19.000 -0.122 0.000 1.194 106 A HN 0.716 nan 8.150 nan 0.000 0.479 107 L N 3.729 124.935 121.223 -0.028 0.000 2.295 107 L HA 0.507 4.847 4.340 -0.000 0.000 0.285 107 L C -0.709 176.131 176.870 -0.049 0.000 1.035 107 L CA -0.690 54.113 54.840 -0.062 0.000 0.806 107 L CB 1.308 43.332 42.059 -0.058 0.000 1.214 107 L HN 0.484 nan 8.230 nan 0.000 0.426 108 I N 2.246 122.738 120.570 -0.130 0.000 2.406 108 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 108 I C 0.827 176.904 176.117 -0.067 0.000 0.999 108 I CA -0.333 60.903 61.300 -0.108 0.000 1.124 108 I CB 1.336 39.194 38.000 -0.236 0.000 1.289 108 I HN 0.584 nan 8.210 nan 0.000 0.441 109 G N 4.419 113.207 108.800 -0.020 0.000 2.554 109 G HA2 0.294 4.254 3.960 -0.000 0.000 0.238 109 G HA3 0.294 4.254 3.960 -0.000 0.000 0.238 109 G C -0.422 174.473 174.900 -0.009 0.000 1.259 109 G CA 0.154 45.234 45.100 -0.034 0.000 0.843 109 G HN 0.619 nan 8.290 nan 0.000 0.582 110 Q N -0.022 119.771 119.800 -0.012 0.000 2.391 110 Q HA 0.483 4.823 4.340 -0.000 0.000 0.279 110 Q C -1.020 175.022 176.000 0.070 0.000 1.028 110 Q CA -0.906 54.924 55.803 0.045 0.000 0.836 110 Q CB 1.271 30.029 28.738 0.034 0.000 1.414 110 Q HN 0.458 nan 8.270 nan 0.000 0.397 111 F N 1.519 121.472 119.950 0.005 0.000 2.626 111 F HA 0.431 4.958 4.527 -0.000 0.000 0.354 111 F C 1.235 177.048 175.800 0.021 0.000 1.168 111 F CA 1.646 59.662 58.000 0.026 0.000 1.368 111 F CB 0.587 39.608 39.000 0.035 0.000 1.092 111 F HN 0.653 nan 8.300 nan 0.000 0.612 112 G N 2.356 111.028 108.800 -0.215 0.000 2.559 112 G HA2 0.140 4.100 3.960 -0.000 0.000 0.235 112 G HA3 0.140 4.100 3.960 -0.000 0.000 0.235 112 G C 0.915 175.924 174.900 0.181 0.000 1.266 112 G CA 0.023 45.105 45.100 -0.029 0.000 0.847 112 G HN 0.953 nan 8.290 nan 0.000 0.583 113 T N -1.803 112.815 114.554 0.106 0.000 2.849 113 T HA -0.233 4.117 4.350 -0.000 0.000 0.270 113 T C 2.303 177.080 174.700 0.128 0.000 1.066 113 T CA 2.100 64.263 62.100 0.106 0.000 1.130 113 T CB -0.672 68.233 68.868 0.062 0.000 0.864 113 T HN 0.743 nan 8.240 nan 0.000 0.481 114 T N -1.641 113.001 114.554 0.147 0.000 3.035 114 T HA 0.243 4.593 4.350 -0.000 0.000 0.268 114 T C 1.960 176.780 174.700 0.199 0.000 1.109 114 T CA 0.792 62.979 62.100 0.146 0.000 1.119 114 T CB -0.458 68.486 68.868 0.127 0.000 0.900 114 T HN 0.519 nan 8.240 nan 0.000 0.503 115 G N 0.095 109.102 108.800 0.345 0.000 3.079 115 G HA2 0.393 4.353 3.960 -0.000 0.000 0.233 115 G HA3 0.393 4.353 3.960 -0.000 0.000 0.233 115 G C 0.357 175.253 174.900 -0.008 0.000 1.062 115 G CA -0.620 44.603 45.100 0.205 0.000 0.809 115 G HN 0.411 nan 8.290 nan 0.000 0.535 116 M N 1.512 121.201 119.600 0.147 0.000 2.250 116 M HA 0.093 4.573 4.480 -0.000 0.000 0.337 116 M C 0.535 176.835 176.300 -0.000 0.000 1.161 116 M CA 0.329 55.665 55.300 0.061 0.000 1.088 116 M CB 0.258 32.915 32.600 0.094 0.000 1.639 116 M HN 0.164 nan 8.290 nan 0.000 0.447 117 N N 0.810 119.494 118.700 -0.027 0.000 2.800 117 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 117 N C -0.039 175.443 175.510 -0.047 0.000 1.078 117 N CA 0.912 53.944 53.050 -0.030 0.000 0.804 117 N CB -0.746 37.736 38.487 -0.008 0.000 1.135 117 N HN 0.632 nan 8.380 nan 0.000 0.565 118 M N 0.027 119.575 119.600 -0.086 0.000 2.428 118 M HA 0.073 4.553 4.480 -0.000 0.000 0.239 118 M C -0.166 176.073 176.300 -0.102 0.000 1.121 118 M CA 0.321 55.566 55.300 -0.091 0.000 1.019 118 M CB -0.441 32.090 32.600 -0.115 0.000 1.485 118 M HN -0.025 nan 8.290 nan 0.000 0.484 119 D N 1.756 122.090 120.400 -0.111 0.000 2.746 119 D HA -0.137 4.503 4.640 -0.000 0.000 0.241 119 D C 0.411 176.641 176.300 -0.115 0.000 1.140 119 D CA 0.887 54.829 54.000 -0.096 0.000 0.707 119 D CB -0.981 39.785 40.800 -0.057 0.000 1.034 119 D HN 0.296 nan 8.370 nan 0.000 0.423 120 T N -1.077 113.353 114.554 -0.206 0.000 2.888 120 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 120 T C -0.044 174.597 174.700 -0.099 0.000 1.013 120 T CA -0.690 61.283 62.100 -0.213 0.000 0.938 120 T CB 0.631 69.204 68.868 -0.491 0.000 1.298 120 T HN 0.077 nan 8.240 nan 0.000 0.580 121 F N 1.960 121.827 119.950 -0.138 0.000 2.578 121 F HA 0.196 4.723 4.527 -0.000 0.000 0.381 121 F C 1.363 177.175 175.800 0.020 0.000 1.069 121 F CA 0.411 58.398 58.000 -0.023 0.000 1.231 121 F CB -0.289 38.737 39.000 0.043 0.000 1.086 121 F HN 0.792 nan 8.300 nan 0.000 0.564 122 Q N 1.773 121.160 119.800 -0.688 0.000 2.461 122 Q HA -0.293 4.047 4.340 -0.000 0.000 0.264 122 Q C -0.394 175.505 176.000 -0.167 0.000 1.085 122 Q CA 1.150 56.664 55.803 -0.482 0.000 1.006 122 Q CB -1.041 27.362 28.738 -0.559 0.000 1.437 122 Q HN 0.694 nan 8.270 nan 0.000 0.514 123 E N 1.001 121.121 120.200 -0.133 0.000 2.158 123 E HA 0.555 4.905 4.350 -0.000 0.000 0.271 123 E C -0.410 176.147 176.600 -0.072 0.000 0.911 123 E CA -0.329 56.026 56.400 -0.076 0.000 0.767 123 E CB 0.906 30.496 29.700 -0.183 0.000 1.120 123 E HN 0.343 nan 8.360 nan 0.000 0.405 124 M N 2.362 121.943 119.600 -0.032 0.000 2.773 124 M HA 0.416 4.896 4.480 -0.000 0.000 0.270 124 M C -1.017 175.281 176.300 -0.002 0.000 1.238 124 M CA -1.094 54.190 55.300 -0.028 0.000 0.832 124 M CB 1.279 33.858 32.600 -0.034 0.000 1.672 124 M HN 0.155 nan 8.290 nan 0.000 0.480 125 N N 1.692 120.389 118.700 -0.004 0.000 2.406 125 N HA 0.104 4.844 4.740 -0.000 0.000 0.265 125 N C -0.065 175.458 175.510 0.021 0.000 1.203 125 N CA 0.521 53.576 53.050 0.009 0.000 0.945 125 N CB 0.377 38.864 38.487 0.001 0.000 1.165 125 N HN 0.751 nan 8.380 nan 0.000 0.485 126 E N 2.036 122.266 120.200 0.050 0.000 2.442 126 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 126 E C 1.090 177.780 176.600 0.149 0.000 1.030 126 E CA -0.046 56.418 56.400 0.107 0.000 0.869 126 E CB 0.104 29.898 29.700 0.157 0.000 0.857 126 E HN 0.637 nan 8.360 nan 0.000 0.505 127 N N 1.476 120.229 118.700 0.088 0.000 2.104 127 N HA -0.102 4.638 4.740 -0.000 0.000 0.190 127 N C -0.955 174.595 175.510 0.066 0.000 1.024 127 N CA 1.127 54.228 53.050 0.084 0.000 0.853 127 N CB -0.355 38.147 38.487 0.024 0.000 1.008 127 N HN 0.080 nan 8.380 nan 0.000 0.424 128 P HA -0.009 nan 4.420 nan 0.000 0.222 128 P C 1.429 178.689 177.300 -0.066 0.000 1.147 128 P CA 0.707 63.798 63.100 -0.014 0.000 0.790 128 P CB -0.059 31.629 31.700 -0.020 0.000 0.780 129 I N -2.236 118.252 120.570 -0.137 0.000 2.286 129 I HA -0.235 3.934 4.170 -0.000 0.000 0.248 129 I C 1.428 177.222 176.117 -0.538 0.000 1.115 129 I CA 1.662 62.728 61.300 -0.389 0.000 1.392 129 I CB -0.567 37.060 38.000 -0.621 0.000 1.065 129 I HN -0.025 nan 8.210 nan 0.000 0.418 130 Y N -0.098 120.198 120.300 -0.007 0.000 2.458 130 Y HA 0.371 4.921 4.550 -0.000 0.000 0.256 130 Y C 2.196 178.069 175.900 -0.045 0.000 1.159 130 Y CA 0.170 58.252 58.100 -0.030 0.000 1.261 130 Y CB -0.312 38.118 38.460 -0.050 0.000 1.119 130 Y HN -0.002 nan 8.280 nan 0.000 0.524 131 A N 0.148 122.991 122.820 0.039 0.000 1.933 131 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 131 A C 1.810 179.402 177.584 0.014 0.000 1.175 131 A CA 2.201 54.252 52.037 0.024 0.000 0.628 131 A CB -0.518 18.489 19.000 0.011 0.000 0.814 131 A HN 0.446 nan 8.150 nan 0.000 0.444 132 D N -1.144 119.268 120.400 0.020 0.000 2.137 132 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 132 D C 1.685 177.959 176.300 -0.044 0.000 0.970 132 D CA 1.286 55.308 54.000 0.037 0.000 0.837 132 D CB -0.022 40.852 40.800 0.122 0.000 0.981 132 D HN 0.090 nan 8.370 nan 0.000 0.475 133 V N -0.267 119.543 119.914 -0.174 0.000 2.719 133 V HA 0.272 4.392 4.120 -0.000 0.000 0.252 133 V C 0.700 176.645 176.094 -0.249 0.000 1.065 133 V CA 0.956 62.961 62.300 -0.492 0.000 1.086 133 V CB -0.302 31.020 31.823 -0.835 0.000 0.700 133 V HN 0.320 nan 8.190 nan 0.000 0.467 134 A N -0.211 122.548 122.820 -0.102 0.000 2.301 134 A HA 0.382 4.702 4.320 -0.000 0.000 0.312 134 A C 0.759 178.343 177.584 -0.001 0.000 1.182 134 A CA 0.194 52.204 52.037 -0.045 0.000 0.826 134 A CB 0.971 19.967 19.000 -0.007 0.000 1.134 134 A HN 0.444 nan 8.150 nan 0.000 0.501 135 D N 0.229 120.650 120.400 0.034 0.000 2.183 135 D HA -0.073 4.566 4.640 -0.000 0.000 0.203 135 D C -0.170 176.243 176.300 0.188 0.000 0.969 135 D CA 1.517 55.576 54.000 0.099 0.000 0.842 135 D CB 0.029 40.913 40.800 0.139 0.000 0.957 135 D HN 0.486 nan 8.370 nan 0.000 0.484 136 Y N -0.056 120.246 120.300 0.002 0.000 2.421 136 Y HA 0.506 5.056 4.550 -0.000 0.000 0.339 136 Y C -1.649 174.237 175.900 -0.024 0.000 0.996 136 Y CA -1.501 56.596 58.100 -0.004 0.000 1.046 136 Y CB 1.456 39.903 38.460 -0.023 0.000 1.226 136 Y HN -0.184 nan 8.280 nan 0.000 0.445 137 N N 4.879 123.337 118.700 -0.402 0.000 2.664 137 N HA 0.490 5.230 4.740 -0.000 0.000 0.268 137 N C -2.315 172.980 175.510 -0.359 0.000 1.222 137 N CA -0.351 52.527 53.050 -0.287 0.000 0.805 137 N CB 1.104 39.537 38.487 -0.090 0.000 1.399 137 N HN 0.545 nan 8.380 nan 0.000 0.547 138 V N -0.042 119.626 119.914 -0.410 0.000 2.925 138 V HA 0.730 4.850 4.120 -0.000 0.000 0.311 138 V C -0.210 175.780 176.094 -0.173 0.000 1.104 138 V CA -0.661 61.452 62.300 -0.311 0.000 0.954 138 V CB 1.652 33.222 31.823 -0.421 0.000 1.022 138 V HN 0.377 nan 8.190 nan 0.000 0.427 139 T N 3.845 118.337 114.554 -0.103 0.000 2.733 139 T HA 0.703 5.053 4.350 -0.000 0.000 0.294 139 T C 0.419 175.090 174.700 -0.049 0.000 0.956 139 T CA 0.397 62.459 62.100 -0.063 0.000 0.987 139 T CB 1.013 69.863 68.868 -0.029 0.000 0.920 139 T HN 1.405 nan 8.240 nan 0.000 0.470 140 A N 2.586 125.378 122.820 -0.048 0.000 2.425 140 A HA 0.464 4.784 4.320 -0.000 0.000 0.249 140 A C 1.211 178.787 177.584 -0.014 0.000 1.084 140 A CA -0.463 51.558 52.037 -0.027 0.000 0.781 140 A CB 0.115 19.092 19.000 -0.039 0.000 1.019 140 A HN 1.061 nan 8.150 nan 0.000 0.490 141 V N -0.461 119.454 119.914 0.001 0.000 3.337 141 V HA 0.384 4.504 4.120 -0.000 0.000 0.307 141 V C 0.029 176.131 176.094 0.014 0.000 1.505 141 V CA 0.142 62.447 62.300 0.009 0.000 1.072 141 V CB -0.807 31.024 31.823 0.014 0.000 0.929 141 V HN 0.832 nan 8.190 nan 0.000 0.455 142 N N -0.017 118.691 118.700 0.013 0.000 2.308 142 N HA 0.589 5.329 4.740 -0.000 0.000 0.283 142 N C 0.625 176.142 175.510 0.011 0.000 1.105 142 N CA 0.434 53.495 53.050 0.018 0.000 0.840 142 N CB 2.591 41.095 38.487 0.028 0.000 1.633 142 N HN 0.095 nan 8.380 nan 0.000 0.476 143 A N 2.722 125.548 122.820 0.010 0.000 1.898 143 A HA 0.128 4.448 4.320 -0.000 0.000 0.214 143 A C 1.972 179.561 177.584 0.009 0.000 1.183 143 A CA 1.711 53.746 52.037 -0.003 0.000 0.622 143 A CB -0.709 18.292 19.000 0.001 0.000 0.824 143 A HN 0.746 nan 8.150 nan 0.000 0.444 144 A N -0.159 122.680 122.820 0.032 0.000 1.972 144 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 144 A C 2.257 179.886 177.584 0.076 0.000 1.169 144 A CA 2.277 54.348 52.037 0.057 0.000 0.635 144 A CB -1.068 17.969 19.000 0.061 0.000 0.810 144 A HN 0.750 nan 8.150 nan 0.000 0.446 145 T N -3.053 111.541 114.554 0.067 0.000 3.107 145 T HA 0.136 4.486 4.350 -0.000 0.000 0.249 145 T C 1.534 176.293 174.700 0.099 0.000 1.096 145 T CA 0.693 62.853 62.100 0.099 0.000 1.012 145 T CB -0.160 68.763 68.868 0.093 0.000 0.977 145 T HN 0.143 nan 8.240 nan 0.000 0.527 146 L N 2.476 123.722 121.223 0.038 0.000 2.012 146 L HA 0.156 4.496 4.340 -0.000 0.000 0.210 146 L C -0.920 175.937 176.870 -0.022 0.000 1.073 146 L CA 1.771 56.608 54.840 -0.006 0.000 0.748 146 L CB -1.188 40.838 42.059 -0.056 0.000 0.891 146 L HN 0.104 nan 8.230 nan 0.000 0.431 147 P HA -0.219 nan 4.420 nan 0.000 0.215 147 P C 1.519 178.830 177.300 0.018 0.000 1.153 147 P CA 1.684 64.762 63.100 -0.036 0.000 0.853 147 P CB -0.340 31.350 31.700 -0.017 0.000 0.788 148 H N -0.208 118.858 119.070 -0.006 0.000 2.353 148 H HA -0.081 4.475 4.556 -0.000 0.000 0.300 148 H C 1.647 176.966 175.328 -0.015 0.000 1.090 148 H CA 1.405 57.431 56.048 -0.035 0.000 1.327 148 H CB -0.377 29.381 29.762 -0.005 0.000 1.383 148 H HN -0.110 nan 8.280 nan 0.000 0.508 149 V N 1.664 121.550 119.914 -0.047 0.000 2.343 149 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 149 V C 2.812 178.856 176.094 -0.083 0.000 1.051 149 V CA 1.301 63.582 62.300 -0.032 0.000 1.036 149 V CB -0.446 31.420 31.823 0.072 0.000 0.654 149 V HN 0.379 nan 8.190 nan 0.000 0.451 150 I N 0.404 120.914 120.570 -0.101 0.000 2.252 150 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 150 I C 2.356 178.353 176.117 -0.200 0.000 1.102 150 I CA 2.003 63.225 61.300 -0.129 0.000 1.385 150 I CB -1.288 36.639 38.000 -0.122 0.000 1.064 150 I HN 0.414 nan 8.210 nan 0.000 0.414 151 D N 0.913 121.207 120.400 -0.176 0.000 2.104 151 D HA -0.276 4.364 4.640 -0.000 0.000 0.194 151 D C 2.105 178.237 176.300 -0.280 0.000 0.994 151 D CA 1.559 55.478 54.000 -0.134 0.000 0.830 151 D CB 0.145 40.910 40.800 -0.060 0.000 0.959 151 D HN 0.209 nan 8.370 nan 0.000 0.452 152 E N -0.034 119.907 120.200 -0.432 0.000 2.058 152 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 152 E C 1.882 178.143 176.600 -0.565 0.000 0.997 152 E CA 1.561 57.660 56.400 -0.503 0.000 0.801 152 E CB -0.624 28.722 29.700 -0.591 0.000 0.746 152 E HN 0.322 nan 8.360 nan 0.000 0.450 153 A N 0.457 123.018 122.820 -0.431 0.000 1.883 153 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 153 A C 2.384 179.751 177.584 -0.361 0.000 1.186 153 A CA 1.806 53.669 52.037 -0.292 0.000 0.624 153 A CB -0.811 18.169 19.000 -0.034 0.000 0.822 153 A HN 0.366 nan 8.150 nan 0.000 0.444 154 I N -1.221 119.067 120.570 -0.470 0.000 2.202 154 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 154 I C 2.717 178.476 176.117 -0.596 0.000 1.091 154 I CA 1.771 62.669 61.300 -0.670 0.000 1.368 154 I CB -0.322 37.017 38.000 -1.101 0.000 1.058 154 I HN 0.375 nan 8.210 nan 0.000 0.410 155 R N 1.114 121.301 120.500 -0.522 0.000 2.081 155 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 155 R C 2.463 178.651 176.300 -0.187 0.000 1.131 155 R CA 1.446 57.430 56.100 -0.192 0.000 0.960 155 R CB -0.099 30.199 30.300 -0.004 0.000 0.856 155 R HN 0.248 nan 8.270 nan 0.000 0.436 156 R N -0.236 120.058 120.500 -0.344 0.000 2.075 156 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 156 R C 2.380 178.490 176.300 -0.317 0.000 1.126 156 R CA 1.279 57.105 56.100 -0.456 0.000 0.963 156 R CB -0.350 29.678 30.300 -0.454 0.000 0.858 156 R HN 0.277 nan 8.270 nan 0.000 0.435 157 A N 0.486 123.162 122.820 -0.240 0.000 1.908 157 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 157 A C 1.819 179.326 177.584 -0.129 0.000 1.181 157 A CA 1.308 53.234 52.037 -0.184 0.000 0.627 157 A CB -0.677 18.153 19.000 -0.283 0.000 0.818 157 A HN 0.278 nan 8.150 nan 0.000 0.445 158 Y N -0.254 119.972 120.300 -0.124 0.000 2.089 158 Y HA -0.086 4.464 4.550 -0.000 0.000 0.282 158 Y C 3.004 178.920 175.900 0.026 0.000 1.139 158 Y CA 0.975 59.076 58.100 0.002 0.000 1.123 158 Y CB -0.860 37.670 38.460 0.117 0.000 0.980 158 Y HN 0.312 nan 8.280 nan 0.000 0.493 159 A N -0.921 121.969 122.820 0.116 0.000 1.933 159 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 159 A C 1.518 179.182 177.584 0.133 0.000 1.175 159 A CA 2.021 54.075 52.037 0.028 0.000 0.628 159 A CB -0.996 17.906 19.000 -0.164 0.000 0.814 159 A HN 0.719 nan 8.150 nan 0.000 0.444 160 H N -1.433 117.675 119.070 0.062 0.000 2.586 160 H HA 0.142 4.698 4.556 -0.000 0.000 0.273 160 H C -0.291 175.064 175.328 0.045 0.000 0.997 160 H CA -0.240 55.831 56.048 0.039 0.000 1.177 160 H CB 0.330 30.104 29.762 0.019 0.000 1.471 160 H HN 0.344 nan 8.280 nan 0.000 0.538 161 Q N 0.683 120.581 119.800 0.164 0.000 2.443 161 Q HA -0.153 4.187 4.340 -0.000 0.000 0.337 161 Q C 0.264 176.325 176.000 0.101 0.000 1.401 161 Q CA 1.011 56.895 55.803 0.134 0.000 0.943 161 Q CB -1.458 27.384 28.738 0.173 0.000 1.177 161 Q HN 0.813 nan 8.270 nan 0.000 0.394 162 G N -1.987 106.841 108.800 0.046 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 -1.101 173.773 174.900 -0.042 0.000 1.273 162 G CA -0.333 44.775 45.100 0.012 0.000 0.798 162 G HN 0.092 nan 8.290 nan 0.000 0.509 163 V N 0.811 120.693 119.914 -0.054 0.000 2.439 163 V HA 0.663 4.783 4.120 -0.000 0.000 0.282 163 V C 0.466 176.537 176.094 -0.039 0.000 1.039 163 V CA -0.170 62.083 62.300 -0.078 0.000 0.913 163 V CB 0.929 32.683 31.823 -0.115 0.000 0.983 163 V HN 1.165 nan 8.190 nan 0.000 0.460 164 A N 5.018 127.808 122.820 -0.050 0.000 2.331 164 A HA 0.844 5.164 4.320 -0.000 0.000 0.320 164 A C -0.843 176.715 177.584 -0.043 0.000 1.138 164 A CA -0.506 51.541 52.037 0.016 0.000 0.790 164 A CB 1.434 20.453 19.000 0.031 0.000 1.206 164 A HN 0.647 nan 8.150 nan 0.000 0.470 165 V N 2.791 122.666 119.914 -0.065 0.000 2.540 165 V HA 0.552 4.672 4.120 -0.000 0.000 0.302 165 V C -0.538 175.447 176.094 -0.181 0.000 1.035 165 V CA -0.531 61.666 62.300 -0.172 0.000 0.873 165 V CB 1.675 33.346 31.823 -0.253 0.000 0.992 165 V HN 0.649 nan 8.190 nan 0.000 0.428 166 V N 4.432 124.238 119.914 -0.181 0.000 2.483 166 V HA 0.422 4.542 4.120 -0.000 0.000 0.297 166 V C -0.518 175.474 176.094 -0.170 0.000 1.027 166 V CA -0.739 61.466 62.300 -0.158 0.000 0.855 166 V CB 1.815 33.577 31.823 -0.102 0.000 0.995 166 V HN 0.952 nan 8.190 nan 0.000 0.424 167 Q N 4.473 124.183 119.800 -0.150 0.000 2.279 167 Q HA 0.631 4.971 4.340 -0.000 0.000 0.256 167 Q C -0.753 175.193 176.000 -0.090 0.000 0.937 167 Q CA 0.223 55.957 55.803 -0.115 0.000 0.933 167 Q CB 1.671 30.369 28.738 -0.066 0.000 1.189 167 Q HN 0.677 nan 8.270 nan 0.000 0.417 168 I N 4.673 125.186 120.570 -0.095 0.000 2.420 168 I HA 0.328 4.498 4.170 -0.000 0.000 0.282 168 I C -2.312 173.749 176.117 -0.092 0.000 1.019 168 I CA -2.590 58.648 61.300 -0.103 0.000 1.130 168 I CB 1.683 39.595 38.000 -0.148 0.000 1.262 168 I HN 0.334 nan 8.210 nan 0.000 0.454 169 P HA -0.054 nan 4.420 nan 0.000 0.264 169 P C 0.924 178.164 177.300 -0.099 0.000 1.193 169 P CA 0.177 63.251 63.100 -0.043 0.000 0.763 169 P CB 1.051 32.749 31.700 -0.005 0.000 0.810 170 V N 3.574 123.410 119.914 -0.130 0.000 2.720 170 V HA -0.216 3.904 4.120 -0.000 0.000 0.256 170 V C 1.597 177.588 176.094 -0.172 0.000 1.082 170 V CA 2.416 64.586 62.300 -0.215 0.000 1.101 170 V CB -0.900 30.794 31.823 -0.216 0.000 0.693 170 V HN 0.621 nan 8.190 nan 0.000 0.479 171 D N -0.325 120.046 120.400 -0.048 0.000 2.178 171 D HA -0.217 4.423 4.640 -0.000 0.000 0.202 171 D C 2.012 178.330 176.300 0.030 0.000 0.974 171 D CA 1.467 55.506 54.000 0.064 0.000 0.841 171 D CB -0.585 40.251 40.800 0.059 0.000 0.953 171 D HN 0.500 nan 8.370 nan 0.000 0.478 172 L N 0.352 121.548 121.223 -0.046 0.000 2.017 172 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 172 L C -0.309 176.511 176.870 -0.082 0.000 1.073 172 L CA 1.315 56.127 54.840 -0.048 0.000 0.745 172 L CB -1.795 40.227 42.059 -0.061 0.000 0.894 172 L HN 0.099 nan 8.230 nan 0.000 0.432 173 P HA -0.142 nan 4.420 nan 0.000 0.230 173 P C 0.975 178.163 177.300 -0.185 0.000 1.158 173 P CA 0.999 63.947 63.100 -0.253 0.000 0.769 173 P CB -0.028 31.419 31.700 -0.421 0.000 0.807 174 W N 0.045 121.293 121.300 -0.086 0.000 3.290 174 W HA 0.224 4.884 4.660 -0.000 0.000 0.287 174 W C 0.339 176.824 176.519 -0.057 0.000 1.288 174 W CA 0.100 57.401 57.345 -0.073 0.000 1.725 174 W CB -0.571 28.846 29.460 -0.072 0.000 1.103 174 W HN 0.129 nan 8.180 nan 0.000 0.670 175 Q N 1.015 120.895 119.800 0.134 0.000 2.259 175 Q HA 0.138 4.478 4.340 -0.000 0.000 0.249 175 Q C 0.403 176.432 176.000 0.049 0.000 0.914 175 Q CA -0.293 55.557 55.803 0.078 0.000 0.904 175 Q CB 1.182 29.950 28.738 0.050 0.000 1.213 175 Q HN -0.180 nan 8.270 nan 0.000 0.428 176 Q N 2.381 122.208 119.800 0.045 0.000 2.314 176 Q HA 0.332 4.672 4.340 -0.000 0.000 0.258 176 Q C -0.165 175.858 176.000 0.037 0.000 0.954 176 Q CA 0.183 56.008 55.803 0.037 0.000 0.890 176 Q CB 0.652 29.411 28.738 0.036 0.000 1.210 176 Q HN 0.591 nan 8.270 nan 0.000 0.410 177 I N -1.509 119.086 120.570 0.042 0.000 3.042 177 I HA 0.629 4.799 4.170 -0.000 0.000 0.310 177 I C -2.682 173.491 176.117 0.093 0.000 1.117 177 I CA -3.220 58.117 61.300 0.062 0.000 1.003 177 I CB 2.371 40.405 38.000 0.056 0.000 1.228 177 I HN 0.203 nan 8.210 nan 0.000 0.443 178 P HA 0.090 nan 4.420 nan 0.000 0.265 178 P C 0.293 177.706 177.300 0.188 0.000 1.193 178 P CA 0.052 63.222 63.100 0.117 0.000 0.765 178 P CB 1.089 32.847 31.700 0.097 0.000 0.823 179 A N 4.129 127.049 122.820 0.167 0.000 2.121 179 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 179 A C 1.568 179.265 177.584 0.187 0.000 1.154 179 A CA 1.333 53.511 52.037 0.235 0.000 0.679 179 A CB -0.635 18.459 19.000 0.156 0.000 0.795 179 A HN 0.631 nan 8.150 nan 0.000 0.458 180 E N -0.806 119.447 120.200 0.087 0.000 2.489 180 E HA 0.000 4.350 4.350 -0.000 0.000 0.204 180 E C -0.061 176.507 176.600 -0.054 0.000 1.006 180 E CA 0.462 56.846 56.400 -0.027 0.000 0.936 180 E CB -0.182 29.508 29.700 -0.017 0.000 1.002 180 E HN 0.414 nan 8.360 nan 0.000 0.488 181 D N 0.911 121.340 120.400 0.047 0.000 2.216 181 D HA -0.008 4.632 4.640 -0.000 0.000 0.208 181 D C 0.851 177.238 176.300 0.145 0.000 0.960 181 D CA 0.266 54.316 54.000 0.082 0.000 0.861 181 D CB -0.338 40.536 40.800 0.124 0.000 0.985 181 D HN 0.364 nan 8.370 nan 0.000 0.493 182 W N 2.190 123.563 121.300 0.122 0.000 2.150 182 W HA 0.369 5.029 4.660 -0.000 0.000 0.341 182 W C -0.591 176.060 176.519 0.219 0.000 1.276 182 W CA -0.692 56.735 57.345 0.136 0.000 1.238 182 W CB -0.248 29.250 29.460 0.064 0.000 1.128 182 W HN -0.060 nan 8.180 nan 0.000 0.581 183 Y N 0.153 120.540 120.300 0.145 0.000 2.670 183 Y HA 0.766 5.316 4.550 -0.000 0.000 0.334 183 Y C -1.524 174.540 175.900 0.273 0.000 1.185 183 Y CA -1.882 56.170 58.100 -0.081 0.000 1.053 183 Y CB 0.486 38.869 38.460 -0.129 0.000 1.298 183 Y HN 0.730 nan 8.280 nan 0.000 0.459 184 A N 0.625 123.554 122.820 0.183 0.000 2.340 184 A HA 0.581 4.901 4.320 -0.000 0.000 0.331 184 A C 0.190 177.856 177.584 0.137 0.000 1.140 184 A CA -0.326 51.794 52.037 0.138 0.000 0.801 184 A CB 0.834 19.930 19.000 0.159 0.000 1.234 184 A HN 1.263 nan 8.150 nan 0.000 0.469 185 S N 0.925 116.704 115.700 0.132 0.000 2.597 185 S HA 0.301 4.771 4.470 -0.000 0.000 0.224 185 S C 1.394 175.805 174.600 -0.315 0.000 0.955 185 S CA 0.513 58.795 58.200 0.136 0.000 0.933 185 S CB 0.014 63.406 63.200 0.321 0.000 0.788 185 S HN 1.262 nan 8.310 nan 0.000 0.488 186 A N 4.277 126.474 122.820 -1.037 0.000 1.948 186 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 186 A C 2.260 179.430 177.584 -0.690 0.000 1.177 186 A CA 1.849 52.837 52.037 -1.748 0.000 0.636 186 A CB -0.997 16.983 19.000 -1.699 0.000 0.815 186 A HN 0.813 nan 8.150 nan 0.000 0.449 187 N N 0.010 118.481 118.700 -0.382 0.000 2.272 187 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 187 N C 1.197 176.637 175.510 -0.117 0.000 1.014 187 N CA 1.845 54.779 53.050 -0.192 0.000 0.870 187 N CB -0.550 37.861 38.487 -0.128 0.000 0.975 187 N HN 0.336 nan 8.380 nan 0.000 0.433 188 S N -0.759 114.884 115.700 -0.096 0.000 2.535 188 S HA 0.031 4.501 4.470 -0.000 0.000 0.214 188 S C 0.104 174.706 174.600 0.003 0.000 0.980 188 S CA -0.696 57.488 58.200 -0.028 0.000 0.907 188 S CB -0.374 62.837 63.200 0.018 0.000 0.790 188 S HN 0.492 nan 8.310 nan 0.000 0.510 189 Y N 3.842 124.051 120.300 -0.153 0.000 2.811 189 Y HA 0.093 4.643 4.550 -0.000 0.000 0.334 189 Y C 0.220 176.074 175.900 -0.075 0.000 1.247 189 Y CA 0.496 58.545 58.100 -0.084 0.000 1.526 189 Y CB 0.323 38.692 38.460 -0.151 0.000 1.284 189 Y HN 0.091 nan 8.280 nan 0.000 0.586 190 Q N 3.359 122.657 119.800 -0.836 0.000 2.418 190 Q HA 0.270 4.610 4.340 -0.000 0.000 0.282 190 Q C -0.716 174.738 176.000 -0.911 0.000 1.044 190 Q CA -0.726 54.633 55.803 -0.740 0.000 0.813 190 Q CB 1.835 30.387 28.738 -0.310 0.000 1.428 190 Q HN 0.812 nan 8.270 nan 0.000 0.402 191 T N -1.643 112.572 114.554 -0.564 0.000 2.913 191 T HA 0.601 4.951 4.350 -0.000 0.000 0.287 191 T C -2.098 172.504 174.700 -0.164 0.000 1.008 191 T CA -1.342 60.577 62.100 -0.301 0.000 1.067 191 T CB 0.120 68.922 68.868 -0.110 0.000 0.996 191 T HN 0.185 nan 8.240 nan 0.000 0.513 192 P HA 0.181 nan 4.420 nan 0.000 0.267 192 P C -0.141 177.136 177.300 -0.038 0.000 1.200 192 P CA -0.394 62.679 63.100 -0.044 0.000 0.772 192 P CB 0.218 31.917 31.700 -0.002 0.000 0.855 193 L N 2.104 123.307 121.223 -0.033 0.000 2.514 193 L HA 0.009 4.349 4.340 -0.000 0.000 0.280 193 L C 0.532 177.394 176.870 -0.014 0.000 1.223 193 L CA 0.099 54.924 54.840 -0.025 0.000 0.864 193 L CB -0.317 41.729 42.059 -0.021 0.000 1.118 193 L HN 0.233 nan 8.230 nan 0.000 0.494 194 L N 5.625 126.840 121.223 -0.013 0.000 2.268 194 L HA 0.325 4.665 4.340 -0.000 0.000 0.289 194 L C -1.822 175.044 176.870 -0.006 0.000 1.064 194 L CA -1.907 52.929 54.840 -0.007 0.000 0.824 194 L CB 0.594 42.649 42.059 -0.006 0.000 1.202 194 L HN 0.412 nan 8.230 nan 0.000 0.433 195 P HA 0.129 nan 4.420 nan 0.000 0.272 195 P C -0.798 176.499 177.300 -0.004 0.000 1.223 195 P CA -0.334 62.764 63.100 -0.003 0.000 0.784 195 P CB 0.903 32.603 31.700 0.000 0.000 0.923 196 E N 2.177 122.374 120.200 -0.004 0.000 2.214 196 E HA 0.344 4.694 4.350 -0.000 0.000 0.274 196 E C -2.120 174.477 176.600 -0.005 0.000 0.977 196 E CA -1.948 54.449 56.400 -0.006 0.000 0.827 196 E CB 0.431 30.127 29.700 -0.007 0.000 1.130 196 E HN 0.402 nan 8.360 nan 0.000 0.394 197 P HA 0.081 nan 4.420 nan 0.000 0.276 197 P C -0.520 176.776 177.300 -0.006 0.000 1.230 197 P CA -0.263 62.833 63.100 -0.006 0.000 0.776 197 P CB 0.531 32.226 31.700 -0.008 0.000 0.888 198 D N 1.730 122.127 120.400 -0.004 0.000 2.450 198 D HA -0.009 4.631 4.640 -0.000 0.000 0.247 198 D C 1.498 177.794 176.300 -0.008 0.000 1.162 198 D CA -0.293 53.704 54.000 -0.005 0.000 0.879 198 D CB 0.786 41.584 40.800 -0.004 0.000 1.163 198 D HN 0.138 nan 8.370 nan 0.000 0.472 199 V N 2.057 121.966 119.914 -0.008 0.000 2.332 199 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 199 V C 1.824 177.911 176.094 -0.012 0.000 1.055 199 V CA 1.548 63.842 62.300 -0.010 0.000 1.038 199 V CB -1.088 30.729 31.823 -0.010 0.000 0.651 199 V HN 0.626 nan 8.190 nan 0.000 0.450 200 Q N 1.033 120.826 119.800 -0.011 0.000 2.079 200 Q HA 0.002 4.342 4.340 -0.000 0.000 0.200 200 Q C 2.518 178.509 176.000 -0.015 0.000 0.974 200 Q CA 1.848 57.643 55.803 -0.013 0.000 0.840 200 Q CB -0.558 28.174 28.738 -0.011 0.000 0.898 200 Q HN 0.760 nan 8.270 nan 0.000 0.430 201 A N 0.472 123.285 122.820 -0.012 0.000 1.902 201 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 201 A C 2.360 179.934 177.584 -0.016 0.000 1.181 201 A CA 1.406 53.435 52.037 -0.013 0.000 0.623 201 A CB -0.774 18.221 19.000 -0.007 0.000 0.818 201 A HN 0.216 nan 8.150 nan 0.000 0.443 202 V N -0.136 119.770 119.914 -0.015 0.000 2.343 202 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 202 V C 2.735 178.817 176.094 -0.020 0.000 1.051 202 V CA 2.464 64.754 62.300 -0.016 0.000 1.036 202 V CB -1.314 30.501 31.823 -0.014 0.000 0.654 202 V HN 0.619 nan 8.190 nan 0.000 0.451 203 T N -0.231 114.311 114.554 -0.020 0.000 2.708 203 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 203 T C 2.064 176.746 174.700 -0.030 0.000 1.037 203 T CA 1.601 63.688 62.100 -0.023 0.000 1.146 203 T CB -0.250 68.606 68.868 -0.020 0.000 0.865 203 T HN 0.443 nan 8.240 nan 0.000 0.435 204 R N 0.447 120.928 120.500 -0.032 0.000 2.081 204 R HA 0.033 4.373 4.340 -0.000 0.000 0.235 204 R C 2.544 178.811 176.300 -0.054 0.000 1.131 204 R CA 1.070 57.143 56.100 -0.045 0.000 0.960 204 R CB -0.688 29.586 30.300 -0.044 0.000 0.856 204 R HN 0.327 nan 8.270 nan 0.000 0.436 205 L N 0.696 121.894 121.223 -0.042 0.000 2.012 205 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 205 L C 1.978 178.826 176.870 -0.037 0.000 1.073 205 L CA 1.744 56.560 54.840 -0.040 0.000 0.748 205 L CB -0.427 41.616 42.059 -0.027 0.000 0.891 205 L HN 0.183 nan 8.230 nan 0.000 0.431 206 T N -0.616 113.920 114.554 -0.030 0.000 2.720 206 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 206 T C 1.868 176.550 174.700 -0.029 0.000 1.037 206 T CA 1.315 63.400 62.100 -0.025 0.000 1.144 206 T CB -0.163 68.692 68.868 -0.022 0.000 0.864 206 T HN 0.371 nan 8.240 nan 0.000 0.444 207 Q N 0.666 120.443 119.800 -0.039 0.000 2.119 207 Q HA -0.026 4.314 4.340 -0.000 0.000 0.201 207 Q C 2.640 178.606 176.000 -0.055 0.000 0.972 207 Q CA 1.320 57.097 55.803 -0.043 0.000 0.847 207 Q CB -1.031 27.679 28.738 -0.046 0.000 0.903 207 Q HN 0.508 nan 8.270 nan 0.000 0.433 208 T N 1.870 116.376 114.554 -0.081 0.000 2.746 208 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 208 T C 1.886 176.563 174.700 -0.037 0.000 1.039 208 T CA 0.958 62.991 62.100 -0.111 0.000 1.142 208 T CB -0.297 68.457 68.868 -0.190 0.000 0.866 208 T HN 0.102 nan 8.240 nan 0.000 0.444 209 L N 0.894 122.105 121.223 -0.020 0.000 2.046 209 L HA 0.059 4.399 4.340 -0.000 0.000 0.208 209 L C 2.113 178.989 176.870 0.009 0.000 1.077 209 L CA 1.581 56.426 54.840 0.008 0.000 0.747 209 L CB -0.594 41.471 42.059 0.010 0.000 0.896 209 L HN 0.250 nan 8.230 nan 0.000 0.432 210 L N -0.957 120.263 121.223 -0.005 0.000 2.217 210 L HA -0.077 4.263 4.340 -0.000 0.000 0.211 210 L C 2.462 179.331 176.870 -0.002 0.000 1.107 210 L CA 0.864 55.701 54.840 -0.005 0.000 0.783 210 L CB -0.751 41.300 42.059 -0.014 0.000 0.919 210 L HN 0.349 nan 8.230 nan 0.000 0.442 211 A N 0.243 123.061 122.820 -0.003 0.000 2.119 211 A HA 0.228 4.548 4.320 -0.000 0.000 0.216 211 A C 1.406 179.002 177.584 0.020 0.000 1.152 211 A CA 0.536 52.577 52.037 0.006 0.000 0.708 211 A CB -0.410 18.590 19.000 0.001 0.000 0.805 211 A HN 0.285 nan 8.150 nan 0.000 0.460 212 A N 0.243 123.075 122.820 0.021 0.000 2.531 212 A HA 0.283 4.603 4.320 -0.000 0.000 0.236 212 A C 1.006 178.559 177.584 -0.051 0.000 1.062 212 A CA 0.079 52.117 52.037 0.001 0.000 0.760 212 A CB 0.252 19.250 19.000 -0.003 0.000 0.995 212 A HN 0.396 nan 8.150 nan 0.000 0.501 213 E N 1.424 121.560 120.200 -0.107 0.000 2.190 213 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 213 E C 0.304 176.684 176.600 -0.367 0.000 0.978 213 E CA 0.867 57.177 56.400 -0.149 0.000 0.839 213 E CB 0.159 29.784 29.700 -0.126 0.000 0.787 213 E HN 0.693 nan 8.360 nan 0.000 0.473 214 R N 1.055 121.189 120.500 -0.609 0.000 2.681 214 R HA 0.229 4.569 4.340 -0.000 0.000 0.277 214 R C -2.518 173.269 176.300 -0.854 0.000 1.563 214 R CA -1.325 53.864 56.100 -1.518 0.000 1.673 214 R CB 1.451 30.686 30.300 -1.776 0.000 1.258 214 R HN 0.026 nan 8.270 nan 0.000 0.650 215 P HA 0.174 nan 4.420 nan 0.000 0.275 215 P C -0.577 176.938 177.300 0.359 0.000 1.228 215 P CA -0.070 63.079 63.100 0.081 0.000 0.786 215 P CB 1.481 33.255 31.700 0.123 0.000 0.927 216 L N 2.368 123.756 121.223 0.274 0.000 2.409 216 L HA 0.523 4.863 4.340 -0.000 0.000 0.262 216 L C 0.033 177.054 176.870 0.251 0.000 0.992 216 L CA -0.976 54.044 54.840 0.302 0.000 0.817 216 L CB 2.257 44.479 42.059 0.272 0.000 1.350 216 L HN 0.240 nan 8.230 nan 0.000 0.411 217 I N 2.557 123.290 120.570 0.273 0.000 2.330 217 I HA 0.256 4.426 4.170 -0.000 0.000 0.289 217 I C -1.285 175.065 176.117 0.389 0.000 1.001 217 I CA -0.491 60.985 61.300 0.294 0.000 1.193 217 I CB 1.199 39.364 38.000 0.275 0.000 1.345 217 I HN 0.387 nan 8.210 nan 0.000 0.461 218 Y N 9.512 129.933 120.300 0.202 0.000 2.447 218 Y HA 0.412 4.962 4.550 -0.000 0.000 0.325 218 Y C -1.177 174.757 175.900 0.056 0.000 0.976 218 Y CA -1.768 56.408 58.100 0.127 0.000 1.280 218 Y CB 0.492 39.099 38.460 0.246 0.000 1.104 218 Y HN 0.469 nan 8.280 nan 0.000 0.486 219 Y N 2.946 123.378 120.300 0.220 0.000 2.549 219 Y HA 0.982 5.531 4.550 -0.000 0.000 0.339 219 Y C 0.061 175.938 175.900 -0.038 0.000 1.053 219 Y CA -1.216 56.877 58.100 -0.012 0.000 1.105 219 Y CB 1.287 39.773 38.460 0.043 0.000 1.258 219 Y HN 0.578 nan 8.280 nan 0.000 0.478 220 G N 0.720 109.535 108.800 0.026 0.000 3.209 220 G HA2 0.383 4.343 3.960 -0.000 0.000 0.236 220 G HA3 0.383 4.343 3.960 -0.000 0.000 0.236 220 G C 0.266 175.248 174.900 0.136 0.000 1.329 220 G CA -0.723 44.395 45.100 0.030 0.000 1.015 220 G HN 1.109 nan 8.290 nan 0.000 0.571 221 I N -1.548 119.077 120.570 0.092 0.000 2.916 221 I HA 0.135 4.305 4.170 -0.000 0.000 0.267 221 I C 2.033 178.196 176.117 0.077 0.000 1.263 221 I CA 1.069 62.424 61.300 0.092 0.000 1.471 221 I CB -0.228 37.809 38.000 0.061 0.000 1.089 221 I HN 0.406 nan 8.210 nan 0.000 0.468 222 G N 1.307 110.140 108.800 0.056 0.000 2.470 222 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.220 222 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.220 222 G C 1.433 176.348 174.900 0.026 0.000 1.121 222 G CA 0.583 45.703 45.100 0.033 0.000 0.766 222 G HN 0.614 nan 8.290 nan 0.000 0.553 223 A N 0.852 123.697 122.820 0.043 0.000 2.415 223 A HA 0.267 4.587 4.320 -0.000 0.000 0.248 223 A C 2.162 179.740 177.584 -0.011 0.000 1.299 223 A CA 0.457 52.497 52.037 0.005 0.000 0.899 223 A CB -0.252 18.743 19.000 -0.008 0.000 0.997 223 A HN 0.421 nan 8.150 nan 0.000 0.506 224 R N 0.463 120.978 120.500 0.025 0.000 2.200 224 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 224 R C 0.728 177.025 176.300 -0.004 0.000 1.127 224 R CA 1.644 57.756 56.100 0.021 0.000 0.989 224 R CB -0.349 29.975 30.300 0.039 0.000 0.869 224 R HN 0.363 nan 8.270 nan 0.000 0.459 225 K N 0.308 120.702 120.400 -0.009 0.000 2.444 225 K HA 0.165 4.485 4.320 -0.000 0.000 0.193 225 K C 0.765 177.340 176.600 -0.041 0.000 1.024 225 K CA 0.530 56.808 56.287 -0.016 0.000 1.077 225 K CB 0.777 33.275 32.500 -0.004 0.000 0.833 225 K HN 0.262 nan 8.250 nan 0.000 0.517 226 A N 0.280 123.058 122.820 -0.070 0.000 2.631 226 A HA 0.271 4.591 4.320 -0.000 0.000 0.294 226 A C 1.513 179.003 177.584 -0.156 0.000 1.156 226 A CA -0.123 51.855 52.037 -0.100 0.000 0.963 226 A CB 0.073 19.015 19.000 -0.097 0.000 1.202 226 A HN 0.274 nan 8.150 nan 0.000 0.523 227 G N 0.676 109.386 108.800 -0.151 0.000 2.440 227 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 227 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 227 G C 1.615 176.412 174.900 -0.173 0.000 1.154 227 G CA 1.245 46.233 45.100 -0.187 0.000 0.767 227 G HN 0.471 nan 8.290 nan 0.000 0.552 228 K N 0.288 120.614 120.400 -0.124 0.000 2.026 228 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 228 K C 2.553 179.082 176.600 -0.119 0.000 1.048 228 K CA 1.659 57.880 56.287 -0.110 0.000 0.929 228 K CB -0.107 32.348 32.500 -0.075 0.000 0.713 228 K HN 0.243 nan 8.250 nan 0.000 0.439 229 E N 0.921 121.056 120.200 -0.108 0.000 2.077 229 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 229 E C 2.027 178.558 176.600 -0.116 0.000 0.989 229 E CA 1.006 57.348 56.400 -0.096 0.000 0.800 229 E CB -0.155 29.498 29.700 -0.078 0.000 0.746 229 E HN 0.237 nan 8.360 nan 0.000 0.452 230 L N 0.517 121.639 121.223 -0.169 0.000 2.017 230 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 230 L C 2.604 179.378 176.870 -0.160 0.000 1.073 230 L CA 1.598 56.325 54.840 -0.189 0.000 0.745 230 L CB -0.340 41.481 42.059 -0.396 0.000 0.894 230 L HN 0.173 nan 8.230 nan 0.000 0.432 231 E N -0.429 119.629 120.200 -0.236 0.000 2.106 231 E HA -0.284 4.066 4.350 -0.000 0.000 0.192 231 E C 2.196 178.647 176.600 -0.247 0.000 0.984 231 E CA 1.067 57.245 56.400 -0.370 0.000 0.806 231 E CB 0.140 29.559 29.700 -0.468 0.000 0.750 231 E HN 0.287 nan 8.360 nan 0.000 0.458 232 Q N 0.541 120.249 119.800 -0.153 0.000 2.083 232 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 232 Q C 2.121 178.084 176.000 -0.060 0.000 0.969 232 Q CA 1.139 56.888 55.803 -0.092 0.000 0.838 232 Q CB -0.207 28.487 28.738 -0.073 0.000 0.900 232 Q HN 0.349 nan 8.270 nan 0.000 0.436 233 L N -0.304 120.887 121.223 -0.053 0.000 2.042 233 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 233 L C 2.514 179.380 176.870 -0.006 0.000 1.076 233 L CA 1.593 56.416 54.840 -0.028 0.000 0.749 233 L CB -0.672 41.378 42.059 -0.015 0.000 0.893 233 L HN 0.282 nan 8.230 nan 0.000 0.432 234 S N -0.285 115.438 115.700 0.039 0.000 2.348 234 S HA -0.226 4.244 4.470 -0.000 0.000 0.221 234 S C 2.009 176.660 174.600 0.084 0.000 1.033 234 S CA 1.557 59.850 58.200 0.155 0.000 1.010 234 S CB -0.018 63.387 63.200 0.342 0.000 0.891 234 S HN 0.316 nan 8.310 nan 0.000 0.442 235 K N -0.150 120.312 120.400 0.103 0.000 2.026 235 K HA -0.047 4.273 4.320 -0.000 0.000 0.208 235 K C 2.347 178.880 176.600 -0.112 0.000 1.048 235 K CA 1.821 58.153 56.287 0.076 0.000 0.929 235 K CB -0.568 31.994 32.500 0.104 0.000 0.713 235 K HN 0.348 nan 8.250 nan 0.000 0.439 236 T N 1.571 116.071 114.554 -0.090 0.000 2.777 236 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 236 T C 1.669 176.273 174.700 -0.161 0.000 1.040 236 T CA 1.034 63.071 62.100 -0.104 0.000 1.141 236 T CB -0.017 68.811 68.868 -0.066 0.000 0.868 236 T HN 0.107 nan 8.240 nan 0.000 0.444 237 L N 0.079 121.200 121.223 -0.169 0.000 2.567 237 L HA 0.190 4.530 4.340 -0.000 0.000 0.225 237 L C 0.205 176.891 176.870 -0.307 0.000 1.119 237 L CA 0.010 54.749 54.840 -0.170 0.000 0.871 237 L CB -0.010 42.002 42.059 -0.078 0.000 1.036 237 L HN 0.106 nan 8.230 nan 0.000 0.459 238 K N 0.965 120.998 120.400 -0.611 0.000 3.162 238 K HA -0.140 4.180 4.320 -0.000 0.000 0.268 238 K C -0.582 175.743 176.600 -0.460 0.000 1.062 238 K CA 0.802 56.290 56.287 -1.331 0.000 0.769 238 K CB -2.287 29.458 32.500 -1.260 0.000 1.274 238 K HN 0.330 nan 8.250 nan 0.000 0.478 239 I N 1.117 121.641 120.570 -0.077 0.000 2.389 239 I HA 0.225 4.395 4.170 -0.000 0.000 0.288 239 I C -2.086 174.308 176.117 0.462 0.000 0.999 239 I CA -2.447 59.023 61.300 0.283 0.000 1.129 239 I CB 1.865 39.984 38.000 0.197 0.000 1.288 239 I HN -0.171 nan 8.210 nan 0.000 0.444 240 P HA 0.173 nan 4.420 nan 0.000 0.269 240 P C -0.898 176.578 177.300 0.292 0.000 1.215 240 P CA -0.056 63.219 63.100 0.291 0.000 0.780 240 P CB 0.592 32.292 31.700 -0.000 0.000 0.898 241 L N 2.632 124.037 121.223 0.303 0.000 2.334 241 L HA 0.649 4.989 4.340 -0.000 0.000 0.276 241 L C 0.393 177.370 176.870 0.178 0.000 1.014 241 L CA -0.630 54.441 54.840 0.385 0.000 0.815 241 L CB 1.116 43.560 42.059 0.642 0.000 1.268 241 L HN 0.410 nan 8.230 nan 0.000 0.428 242 M N 1.309 120.965 119.600 0.094 0.000 2.618 242 M HA 0.806 5.286 4.480 -0.000 0.000 0.281 242 M C -0.891 175.272 176.300 -0.228 0.000 1.267 242 M CA -0.529 54.656 55.300 -0.192 0.000 0.845 242 M CB 2.477 34.845 32.600 -0.386 0.000 1.732 242 M HN 0.486 nan 8.290 nan 0.000 0.461 243 S N -0.348 115.230 115.700 -0.202 0.000 2.651 243 S HA 0.762 5.232 4.470 -0.000 0.000 0.279 243 S C -0.295 174.395 174.600 0.149 0.000 1.148 243 S CA -0.148 57.904 58.200 -0.246 0.000 0.837 243 S CB 1.588 64.533 63.200 -0.425 0.000 1.138 243 S HN 1.033 nan 8.310 nan 0.000 0.478 244 T N -0.063 114.574 114.554 0.137 0.000 2.856 244 T HA 0.201 4.551 4.350 -0.000 0.000 0.306 244 T C 0.974 175.844 174.700 0.283 0.000 1.062 244 T CA 0.004 62.253 62.100 0.248 0.000 1.083 244 T CB -0.010 68.978 68.868 0.201 0.000 0.984 244 T HN 0.877 nan 8.240 nan 0.000 0.542 245 Y N 3.231 123.673 120.300 0.236 0.000 2.081 245 Y HA 0.021 4.571 4.550 -0.000 0.000 0.280 245 Y C -1.066 174.994 175.900 0.267 0.000 1.163 245 Y CA 1.189 59.426 58.100 0.228 0.000 1.135 245 Y CB -2.023 36.567 38.460 0.218 0.000 0.970 245 Y HN 0.512 nan 8.280 nan 0.000 0.498 246 P HA -0.120 nan 4.420 nan 0.000 0.219 246 P C 1.104 178.380 177.300 -0.040 0.000 1.146 246 P CA 2.322 65.239 63.100 -0.305 0.000 0.808 246 P CB -0.355 31.228 31.700 -0.196 0.000 0.779 247 A N -1.004 121.875 122.820 0.098 0.000 2.238 247 A HA -0.044 4.276 4.320 -0.000 0.000 0.208 247 A C 1.143 178.880 177.584 0.256 0.000 1.177 247 A CA -0.048 52.101 52.037 0.187 0.000 0.804 247 A CB -0.997 18.122 19.000 0.199 0.000 0.823 247 A HN 0.090 nan 8.150 nan 0.000 0.482 248 K N -0.014 120.550 120.400 0.274 0.000 2.524 248 K HA 0.216 4.536 4.320 -0.000 0.000 0.279 248 K C 1.179 177.868 176.600 0.148 0.000 0.993 248 K CA 1.019 57.425 56.287 0.198 0.000 1.030 248 K CB -0.124 32.473 32.500 0.161 0.000 0.891 248 K HN 0.689 nan 8.250 nan 0.000 0.488 249 G N 3.823 112.614 108.800 -0.015 0.000 2.258 249 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.233 249 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.233 249 G C 0.896 175.807 174.900 0.018 0.000 1.006 249 G CA 0.287 45.386 45.100 -0.001 0.000 0.620 249 G HN 0.654 nan 8.290 nan 0.000 0.511 250 I N 0.597 121.207 120.570 0.065 0.000 2.208 250 I HA -0.051 4.119 4.170 -0.000 0.000 0.245 250 I C 1.133 177.218 176.117 -0.053 0.000 1.097 250 I CA 1.323 62.644 61.300 0.034 0.000 1.363 250 I CB -0.196 37.861 38.000 0.097 0.000 1.051 250 I HN 0.119 nan 8.210 nan 0.000 0.413 251 V N 1.365 121.236 119.914 -0.072 0.000 2.483 251 V HA 0.493 4.613 4.120 -0.000 0.000 0.295 251 V C 0.389 176.393 176.094 -0.149 0.000 1.035 251 V CA -1.225 61.002 62.300 -0.122 0.000 0.896 251 V CB 1.366 33.137 31.823 -0.087 0.000 0.986 251 V HN 0.249 nan 8.190 nan 0.000 0.447 252 A N 2.891 125.663 122.820 -0.080 0.000 2.565 252 A HA 0.037 4.357 4.320 -0.000 0.000 0.237 252 A C 1.223 178.770 177.584 -0.061 0.000 1.053 252 A CA 0.041 52.049 52.037 -0.048 0.000 0.755 252 A CB -0.120 18.884 19.000 0.007 0.000 0.980 252 A HN 0.930 nan 8.150 nan 0.000 0.506 253 D N 1.716 122.071 120.400 -0.076 0.000 2.221 253 D HA -0.196 4.444 4.640 -0.000 0.000 0.204 253 D C 1.974 178.333 176.300 0.098 0.000 0.982 253 D CA 1.820 55.815 54.000 -0.008 0.000 0.857 253 D CB -0.001 40.809 40.800 0.017 0.000 0.934 253 D HN 0.849 nan 8.370 nan 0.000 0.475 254 R N -0.039 120.506 120.500 0.075 0.000 2.235 254 R HA -0.112 4.228 4.340 -0.000 0.000 0.213 254 R C 0.955 177.327 176.300 0.121 0.000 1.059 254 R CA -0.017 56.130 56.100 0.079 0.000 0.997 254 R CB -0.737 29.596 30.300 0.055 0.000 0.884 254 R HN 0.036 nan 8.270 nan 0.000 0.462 255 Y N 3.733 124.060 120.300 0.046 0.000 2.745 255 Y HA 0.071 4.621 4.550 -0.000 0.000 0.335 255 Y C -1.757 174.194 175.900 0.085 0.000 1.212 255 Y CA -2.685 55.457 58.100 0.070 0.000 1.535 255 Y CB 0.947 39.459 38.460 0.085 0.000 1.220 255 Y HN -0.020 nan 8.280 nan 0.000 0.531 256 P HA -0.034 nan 4.420 nan 0.000 0.226 256 P C 0.240 177.164 177.300 -0.626 0.000 1.153 256 P CA 1.744 64.569 63.100 -0.459 0.000 0.777 256 P CB 0.296 31.784 31.700 -0.353 0.000 0.794 257 A N -2.084 120.114 122.820 -1.037 0.000 2.460 257 A HA 0.110 4.430 4.320 -0.000 0.000 0.258 257 A C -0.051 177.448 177.584 -0.143 0.000 1.300 257 A CA -0.315 51.357 52.037 -0.608 0.000 0.913 257 A CB -1.110 17.617 19.000 -0.456 0.000 1.031 257 A HN 0.071 nan 8.150 nan 0.000 0.512 258 Y N 1.085 121.294 120.300 -0.151 0.000 2.486 258 Y HA 0.360 4.910 4.550 -0.000 0.000 0.348 258 Y C 0.753 176.638 175.900 -0.025 0.000 1.000 258 Y CA -0.716 57.433 58.100 0.081 0.000 1.253 258 Y CB 0.392 38.976 38.460 0.206 0.000 1.140 258 Y HN 0.205 nan 8.280 nan 0.000 0.526 259 L N 5.538 126.436 121.223 -0.542 0.000 2.341 259 L HA 0.230 4.570 4.340 -0.000 0.000 0.214 259 L C 1.433 177.898 176.870 -0.675 0.000 1.115 259 L CA 0.655 55.178 54.840 -0.528 0.000 0.820 259 L CB -0.806 41.007 42.059 -0.411 0.000 0.944 259 L HN 0.990 nan 8.230 nan 0.000 0.452 260 G N 0.134 108.214 108.800 -1.200 0.000 2.472 260 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.205 260 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.205 260 G C -0.401 174.239 174.900 -0.434 0.000 1.270 260 G CA -0.272 44.385 45.100 -0.739 0.000 0.974 260 G HN 0.327 nan 8.290 nan 0.000 0.542 261 S N -0.387 115.210 115.700 -0.171 0.000 2.664 261 S HA 0.958 5.428 4.470 -0.000 0.000 0.304 261 S C 0.342 174.863 174.600 -0.132 0.000 1.099 261 S CA 0.611 58.770 58.200 -0.068 0.000 1.003 261 S CB 1.844 65.132 63.200 0.146 0.000 1.092 261 S HN 2.410 nan 8.310 nan 0.000 0.525 262 A N 0.918 123.670 122.820 -0.113 0.000 2.261 262 A HA 0.771 5.091 4.320 -0.000 0.000 0.323 262 A C 0.722 178.331 177.584 0.043 0.000 1.107 262 A CA -0.190 51.782 52.037 -0.109 0.000 0.883 262 A CB -0.071 18.803 19.000 -0.210 0.000 1.251 262 A HN 1.287 nan 8.150 nan 0.000 0.502 263 N N -1.481 117.208 118.700 -0.019 0.000 2.054 263 N HA -0.232 4.508 4.740 -0.000 0.000 0.194 263 N C 1.187 176.592 175.510 -0.174 0.000 0.727 263 N CA 1.631 54.596 53.050 -0.142 0.000 1.387 263 N CB -0.935 37.318 38.487 -0.390 0.000 1.533 263 N HN 0.751 nan 8.380 nan 0.000 0.402 264 R N 0.336 120.719 120.500 -0.195 0.000 2.215 264 R HA 0.335 4.675 4.340 -0.000 0.000 0.190 264 R C 0.076 176.408 176.300 0.053 0.000 0.968 264 R CA 0.675 56.714 56.100 -0.101 0.000 1.122 264 R CB 0.399 30.613 30.300 -0.142 0.000 1.151 264 R HN 0.195 nan 8.270 nan 0.000 0.582 265 V N 2.771 122.740 119.914 0.091 0.000 2.229 265 V HA 0.437 4.557 4.120 -0.000 0.000 0.245 265 V C -0.227 175.861 176.094 -0.011 0.000 1.243 265 V CA 0.188 62.485 62.300 -0.005 0.000 1.176 265 V CB 0.055 31.730 31.823 -0.245 0.000 1.323 265 V HN 0.416 nan 8.190 nan 0.000 0.499 266 A N 4.572 127.390 122.820 -0.004 0.000 2.610 266 A HA 0.809 5.129 4.320 -0.000 0.000 0.291 266 A C -1.144 176.403 177.584 -0.062 0.000 1.086 266 A CA -0.814 51.199 52.037 -0.039 0.000 0.677 266 A CB 1.754 20.703 19.000 -0.084 0.000 1.278 266 A HN 0.491 nan 8.150 nan 0.000 0.414 267 Q N 0.665 120.350 119.800 -0.192 0.000 2.353 267 Q HA 0.317 4.657 4.340 -0.000 0.000 0.268 267 Q C 0.375 175.901 176.000 -0.790 0.000 1.045 267 Q CA -0.746 54.819 55.803 -0.397 0.000 0.811 267 Q CB 2.652 31.263 28.738 -0.212 0.000 1.305 267 Q HN 0.868 nan 8.270 nan 0.000 0.447 268 K N 2.429 121.964 120.400 -1.442 0.000 2.059 268 K HA -0.185 4.135 4.320 -0.000 0.000 0.212 268 K C -1.048 175.111 176.600 -0.735 0.000 1.050 268 K CA 1.961 57.618 56.287 -1.051 0.000 0.927 268 K CB -0.609 31.180 32.500 -1.186 0.000 0.714 268 K HN 0.322 nan 8.250 nan 0.000 0.447 269 P HA -0.097 nan 4.420 nan 0.000 0.218 269 P C 0.837 177.891 177.300 -0.411 0.000 1.149 269 P CA 1.746 64.548 63.100 -0.498 0.000 0.817 269 P CB -0.024 31.398 31.700 -0.463 0.000 0.785 270 A N -0.313 122.241 122.820 -0.444 0.000 1.898 270 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 270 A C 2.191 179.587 177.584 -0.313 0.000 1.181 270 A CA 1.758 53.567 52.037 -0.381 0.000 0.620 270 A CB -1.446 17.310 19.000 -0.407 0.000 0.819 270 A HN 0.099 nan 8.150 nan 0.000 0.442 271 N N 0.030 118.548 118.700 -0.303 0.000 2.120 271 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 271 N C 1.696 177.098 175.510 -0.181 0.000 1.024 271 N CA 1.626 54.538 53.050 -0.230 0.000 0.852 271 N CB -0.365 37.988 38.487 -0.224 0.000 1.003 271 N HN 0.666 nan 8.380 nan 0.000 0.424 272 E N 0.390 120.471 120.200 -0.198 0.000 2.047 272 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 272 E C 1.926 178.491 176.600 -0.058 0.000 0.987 272 E CA 1.050 57.372 56.400 -0.131 0.000 0.799 272 E CB -0.086 29.525 29.700 -0.149 0.000 0.752 272 E HN 0.338 nan 8.360 nan 0.000 0.449 273 A N 1.312 124.080 122.820 -0.088 0.000 1.898 273 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 273 A C 2.171 179.857 177.584 0.170 0.000 1.181 273 A CA 0.937 53.001 52.037 0.046 0.000 0.620 273 A CB -0.530 18.404 19.000 -0.111 0.000 0.819 273 A HN 0.207 nan 8.150 nan 0.000 0.442 274 L N -0.078 121.150 121.223 0.007 0.000 2.079 274 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 274 L C 2.636 179.526 176.870 0.034 0.000 1.081 274 L CA 2.128 56.971 54.840 0.005 0.000 0.752 274 L CB -0.734 41.245 42.059 -0.134 0.000 0.896 274 L HN 0.349 nan 8.230 nan 0.000 0.433 275 A N -1.524 121.299 122.820 0.004 0.000 2.019 275 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 275 A C 2.048 179.652 177.584 0.034 0.000 1.164 275 A CA 1.529 53.568 52.037 0.004 0.000 0.644 275 A CB -0.341 18.646 19.000 -0.022 0.000 0.805 275 A HN 0.611 nan 8.150 nan 0.000 0.449 276 Q N -0.759 119.097 119.800 0.093 0.000 2.396 276 Q HA 0.318 4.658 4.340 -0.000 0.000 0.209 276 Q C 0.851 176.815 176.000 -0.059 0.000 0.906 276 Q CA 0.643 56.493 55.803 0.079 0.000 0.927 276 Q CB -0.370 28.519 28.738 0.251 0.000 1.069 276 Q HN 0.573 nan 8.270 nan 0.000 0.523 277 A N 2.679 125.499 122.820 0.000 0.000 2.462 277 A HA 0.083 4.403 4.320 -0.000 0.000 0.243 277 A C 0.793 178.301 177.584 -0.127 0.000 1.076 277 A CA 0.179 52.142 52.037 -0.123 0.000 0.773 277 A CB 0.219 19.274 19.000 0.092 0.000 1.010 277 A HN 0.226 nan 8.150 nan 0.000 0.493 278 D N 0.870 121.145 120.400 -0.208 0.000 2.301 278 D HA 0.061 4.701 4.640 -0.000 0.000 0.206 278 D C 0.032 176.308 176.300 -0.040 0.000 0.979 278 D CA 0.539 54.461 54.000 -0.130 0.000 0.874 278 D CB -0.030 40.673 40.800 -0.161 0.000 0.968 278 D HN 0.173 nan 8.370 nan 0.000 0.510 279 V N 1.095 121.007 119.914 -0.003 0.000 2.623 279 V HA 0.371 4.491 4.120 -0.000 0.000 0.304 279 V C -0.663 175.481 176.094 0.083 0.000 1.054 279 V CA -0.978 61.370 62.300 0.080 0.000 0.882 279 V CB 2.556 34.442 31.823 0.105 0.000 1.002 279 V HN -0.077 nan 8.190 nan 0.000 0.424 280 V N 5.604 125.559 119.914 0.069 0.000 2.448 280 V HA 0.451 4.571 4.120 -0.000 0.000 0.295 280 V C -0.447 175.597 176.094 -0.084 0.000 1.025 280 V CA -0.638 61.697 62.300 0.059 0.000 0.859 280 V CB 1.796 33.695 31.823 0.128 0.000 0.988 280 V HN 0.676 nan 8.190 nan 0.000 0.431 281 L N 6.037 127.274 121.223 0.024 0.000 2.268 281 L HA 0.509 4.849 4.340 -0.000 0.000 0.289 281 L C -0.861 176.045 176.870 0.060 0.000 1.064 281 L CA 0.112 54.947 54.840 -0.009 0.000 0.824 281 L CB 0.323 42.409 42.059 0.044 0.000 1.202 281 L HN 0.545 nan 8.230 nan 0.000 0.433 282 F N 6.044 125.807 119.950 -0.311 0.000 2.334 282 F HA 0.543 5.070 4.527 0.000 0.000 0.367 282 F C -0.699 175.016 175.800 -0.141 0.000 1.115 282 F CA -0.506 57.330 58.000 -0.275 0.000 1.116 282 F CB 1.286 39.898 39.000 -0.647 0.000 1.230 282 F HN 0.248 nan 8.300 nan 0.000 0.484 283 V N 6.617 126.396 119.914 -0.224 0.000 2.483 283 V HA 0.654 4.774 4.120 -0.000 0.000 0.297 283 V C 0.235 176.230 176.094 -0.166 0.000 1.027 283 V CA 0.075 62.298 62.300 -0.128 0.000 0.855 283 V CB 1.086 32.905 31.823 -0.008 0.000 0.995 283 V HN 1.089 nan 8.190 nan 0.000 0.424 284 G N 4.818 113.533 108.800 -0.142 0.000 2.338 284 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.296 284 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.296 284 G C -0.117 174.681 174.900 -0.170 0.000 1.040 284 G CA 0.788 45.830 45.100 -0.098 0.000 1.004 284 G HN 1.120 nan 8.290 nan 0.000 0.509 285 N N -0.285 118.199 118.700 -0.360 0.000 2.371 285 N HA 0.403 5.143 4.740 -0.000 0.000 0.291 285 N C -0.517 174.797 175.510 -0.326 0.000 1.053 285 N CA -0.883 51.825 53.050 -0.569 0.000 0.870 285 N CB 1.516 39.158 38.487 -1.408 0.000 1.503 285 N HN 0.080 nan 8.380 nan 0.000 0.485 286 N N 2.829 121.522 118.700 -0.012 0.000 2.497 286 N HA 0.072 4.812 4.740 -0.000 0.000 0.284 286 N C -1.256 174.441 175.510 0.312 0.000 1.459 286 N CA -0.407 52.765 53.050 0.203 0.000 0.899 286 N CB -0.227 38.343 38.487 0.138 0.000 1.316 286 N HN 0.442 nan 8.380 nan 0.000 0.500 287 Y N 2.244 122.697 120.300 0.254 0.000 2.863 287 Y HA 0.011 4.561 4.550 -0.000 0.000 0.359 287 Y C -1.343 174.701 175.900 0.241 0.000 1.312 287 Y CA -1.043 57.233 58.100 0.294 0.000 1.650 287 Y CB 0.715 39.431 38.460 0.427 0.000 1.201 287 Y HN 0.315 nan 8.280 nan 0.000 0.531 288 P HA -0.069 nan 4.420 nan 0.000 0.241 288 P C 0.490 177.440 177.300 -0.583 0.000 1.191 288 P CA 0.984 63.887 63.100 -0.329 0.000 0.771 288 P CB -0.022 31.431 31.700 -0.411 0.000 0.929 289 F N -0.125 119.431 119.950 -0.658 0.000 2.727 289 F HA 0.334 4.861 4.527 -0.000 0.000 0.302 289 F C 2.403 177.975 175.800 -0.380 0.000 1.097 289 F CA 0.042 57.695 58.000 -0.578 0.000 1.330 289 F CB -0.851 37.728 39.000 -0.702 0.000 1.084 289 F HN -0.076 nan 8.300 nan 0.000 0.578 290 A N 0.688 123.457 122.820 -0.085 0.000 1.859 290 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 290 A C 2.067 179.703 177.584 0.086 0.000 1.198 290 A CA 2.244 54.383 52.037 0.170 0.000 0.629 290 A CB -0.596 18.665 19.000 0.435 0.000 0.830 290 A HN 0.346 nan 8.150 nan 0.000 0.446 291 E N -0.390 119.857 120.200 0.080 0.000 2.046 291 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 291 E C 2.090 178.714 176.600 0.040 0.000 0.982 291 E CA 1.422 57.860 56.400 0.063 0.000 0.800 291 E CB -0.537 29.191 29.700 0.045 0.000 0.756 291 E HN 0.600 nan 8.360 nan 0.000 0.449 292 V N -0.129 119.805 119.914 0.032 0.000 2.490 292 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 292 V C 1.992 178.116 176.094 0.050 0.000 1.061 292 V CA 1.857 64.182 62.300 0.041 0.000 1.064 292 V CB -0.715 31.137 31.823 0.049 0.000 0.670 292 V HN 0.304 nan 8.190 nan 0.000 0.461 293 S N -0.947 114.787 115.700 0.057 0.000 2.575 293 S HA 0.169 4.639 4.470 -0.000 0.000 0.215 293 S C 0.913 175.514 174.600 0.001 0.000 0.966 293 S CA 0.144 58.364 58.200 0.033 0.000 0.911 293 S CB -0.639 62.588 63.200 0.046 0.000 0.780 293 S HN 0.722 nan 8.310 nan 0.000 0.514 294 K N 0.504 120.907 120.400 0.005 0.000 3.071 294 K HA -0.244 4.076 4.320 -0.000 0.000 0.262 294 K C 1.183 177.747 176.600 -0.061 0.000 0.977 294 K CA 0.340 56.626 56.287 -0.002 0.000 0.721 294 K CB -2.170 30.333 32.500 0.006 0.000 1.293 294 K HN 0.560 nan 8.250 nan 0.000 0.475 295 A N 0.324 123.050 122.820 -0.156 0.000 1.917 295 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 295 A C 1.281 178.606 177.584 -0.431 0.000 1.182 295 A CA 1.613 53.433 52.037 -0.361 0.000 0.633 295 A CB -0.304 18.347 19.000 -0.582 0.000 0.819 295 A HN 0.385 nan 8.150 nan 0.000 0.448 296 F N 0.011 119.951 119.950 -0.016 0.000 2.684 296 F HA 0.194 4.721 4.527 -0.000 0.000 0.298 296 F C 1.714 177.440 175.800 -0.122 0.000 1.120 296 F CA 0.002 57.897 58.000 -0.176 0.000 1.332 296 F CB -0.100 38.540 39.000 -0.600 0.000 0.986 296 F HN 0.366 nan 8.300 nan 0.000 0.524 297 K N -0.173 120.276 120.400 0.081 0.000 2.152 297 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 297 K C 0.773 177.413 176.600 0.068 0.000 1.048 297 K CA 1.829 58.168 56.287 0.087 0.000 0.933 297 K CB -0.174 32.352 32.500 0.042 0.000 0.721 297 K HN 0.109 nan 8.250 nan 0.000 0.447 298 N N 0.746 119.472 118.700 0.043 0.000 2.214 298 N HA 0.039 4.779 4.740 -0.000 0.000 0.214 298 N C -0.663 174.851 175.510 0.007 0.000 1.132 298 N CA 0.160 53.220 53.050 0.017 0.000 0.856 298 N CB 0.918 39.404 38.487 -0.000 0.000 1.020 298 N HN 0.154 nan 8.380 nan 0.000 0.509 299 T N 0.732 115.307 114.554 0.035 0.000 2.834 299 T HA 0.108 4.458 4.350 -0.000 0.000 0.298 299 T C 1.481 176.169 174.700 -0.020 0.000 0.966 299 T CA -0.119 61.996 62.100 0.025 0.000 1.141 299 T CB 2.143 71.046 68.868 0.059 0.000 0.905 299 T HN 0.147 nan 8.240 nan 0.000 0.535 300 R N 2.136 122.567 120.500 -0.116 0.000 2.055 300 R HA 0.022 4.362 4.340 -0.000 0.000 0.226 300 R C -0.391 175.685 176.300 -0.374 0.000 1.135 300 R CA 1.108 57.008 56.100 -0.333 0.000 0.959 300 R CB 0.205 30.181 30.300 -0.539 0.000 0.854 300 R HN 0.593 nan 8.270 nan 0.000 0.431 301 Y N -1.315 119.033 120.300 0.078 0.000 2.425 301 Y HA 0.362 4.912 4.550 -0.000 0.000 0.344 301 Y C -1.206 174.776 175.900 0.136 0.000 0.969 301 Y CA -1.366 56.794 58.100 0.100 0.000 1.052 301 Y CB 1.628 40.118 38.460 0.049 0.000 1.215 301 Y HN -0.066 nan 8.280 nan 0.000 0.451 302 F N 4.568 124.610 119.950 0.153 0.000 2.460 302 F HA 0.684 5.211 4.527 -0.000 0.000 0.341 302 F C -1.630 174.195 175.800 0.041 0.000 1.130 302 F CA -0.944 57.064 58.000 0.013 0.000 0.962 302 F CB 0.689 39.676 39.000 -0.023 0.000 1.171 302 F HN 0.334 nan 8.300 nan 0.000 0.436 303 L N 5.998 127.036 121.223 -0.307 0.000 2.313 303 L HA 0.544 4.884 4.340 -0.000 0.000 0.283 303 L C -0.673 176.031 176.870 -0.276 0.000 1.013 303 L CA -0.623 54.109 54.840 -0.179 0.000 0.816 303 L CB 1.795 43.801 42.059 -0.088 0.000 1.236 303 L HN 0.578 nan 8.230 nan 0.000 0.419 304 Q N 3.597 123.336 119.800 -0.102 0.000 2.353 304 Q HA 0.664 5.004 4.340 -0.000 0.000 0.268 304 Q C -1.496 174.517 176.000 0.022 0.000 1.045 304 Q CA -0.612 55.184 55.803 -0.013 0.000 0.811 304 Q CB 2.555 31.383 28.738 0.149 0.000 1.305 304 Q HN 0.614 nan 8.270 nan 0.000 0.447 305 I N 3.177 123.755 120.570 0.014 0.000 2.410 305 I HA 0.460 4.630 4.170 -0.000 0.000 0.286 305 I C -0.904 175.216 176.117 0.005 0.000 1.009 305 I CA -0.490 60.814 61.300 0.007 0.000 1.111 305 I CB 1.751 39.746 38.000 -0.009 0.000 1.262 305 I HN 0.533 nan 8.210 nan 0.000 0.443 306 D N 4.923 125.333 120.400 0.018 0.000 2.717 306 D HA 0.273 4.913 4.640 -0.000 0.000 0.223 306 D C 0.039 176.346 176.300 0.012 0.000 1.240 306 D CA -0.480 53.527 54.000 0.012 0.000 0.801 306 D CB 2.986 43.808 40.800 0.036 0.000 1.556 306 D HN 0.502 nan 8.370 nan 0.000 0.462 307 I N 1.007 121.580 120.570 0.004 0.000 3.111 307 I HA -0.056 4.114 4.170 -0.000 0.000 0.272 307 I C 0.019 176.139 176.117 0.005 0.000 1.268 307 I CA 0.629 61.931 61.300 0.004 0.000 1.467 307 I CB 0.332 38.333 38.000 0.001 0.000 1.087 307 I HN 0.179 nan 8.210 nan 0.000 0.467 308 D N 0.636 121.040 120.400 0.006 0.000 2.381 308 D HA 0.203 4.843 4.640 -0.000 0.000 0.235 308 D C -1.692 174.619 176.300 0.018 0.000 1.068 308 D CA -2.665 51.337 54.000 0.004 0.000 0.832 308 D CB 1.604 42.395 40.800 -0.015 0.000 1.101 308 D HN -0.040 nan 8.370 nan 0.000 0.515 309 P HA -0.111 nan 4.420 nan 0.000 0.220 309 P C 0.997 178.315 177.300 0.029 0.000 1.148 309 P CA 0.650 63.765 63.100 0.025 0.000 0.803 309 P CB 0.169 31.880 31.700 0.018 0.000 0.782 310 A N 0.120 122.953 122.820 0.022 0.000 2.178 310 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 310 A C 2.033 179.643 177.584 0.044 0.000 1.157 310 A CA 1.282 53.334 52.037 0.025 0.000 0.689 310 A CB -0.666 18.341 19.000 0.012 0.000 0.787 310 A HN 0.076 nan 8.150 nan 0.000 0.465 311 K N -0.609 119.825 120.400 0.057 0.000 2.361 311 K HA 0.265 4.585 4.320 -0.000 0.000 0.194 311 K C 0.070 176.749 176.600 0.131 0.000 1.032 311 K CA 0.040 56.385 56.287 0.096 0.000 1.048 311 K CB -0.012 32.544 32.500 0.094 0.000 0.842 311 K HN 0.439 nan 8.250 nan 0.000 0.526 312 L N 1.438 122.722 121.223 0.103 0.000 2.385 312 L HA 0.136 4.476 4.340 -0.000 0.000 0.281 312 L C 1.030 177.966 176.870 0.110 0.000 1.106 312 L CA 0.211 55.121 54.840 0.117 0.000 0.856 312 L CB 0.132 42.241 42.059 0.083 0.000 1.186 312 L HN 0.449 nan 8.230 nan 0.000 0.453 313 G N 2.519 111.410 108.800 0.151 0.000 2.153 313 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.252 313 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.252 313 G C 1.086 176.018 174.900 0.052 0.000 0.994 313 G CA 0.708 45.865 45.100 0.095 0.000 0.698 313 G HN 0.755 nan 8.290 nan 0.000 0.521 314 K N -0.273 120.187 120.400 0.100 0.000 2.025 314 K HA 0.003 4.322 4.320 -0.000 0.000 0.207 314 K C 2.449 179.084 176.600 0.058 0.000 1.049 314 K CA 1.103 57.439 56.287 0.081 0.000 0.933 314 K CB -0.134 32.438 32.500 0.120 0.000 0.714 314 K HN 0.258 nan 8.250 nan 0.000 0.438 315 R N -0.530 120.016 120.500 0.077 0.000 2.280 315 R HA 0.149 4.489 4.340 -0.000 0.000 0.195 315 R C 0.243 176.483 176.300 -0.101 0.000 0.935 315 R CA 0.381 56.514 56.100 0.055 0.000 1.033 315 R CB 0.208 30.613 30.300 0.175 0.000 0.964 315 R HN 0.376 nan 8.270 nan 0.000 0.489 316 H N -0.433 118.351 119.070 -0.478 0.000 3.043 316 H HA 0.140 4.696 4.556 -0.000 0.000 0.317 316 H C -1.132 173.891 175.328 -0.508 0.000 1.321 316 H CA -0.694 54.926 56.048 -0.712 0.000 1.243 316 H CB 2.071 30.821 29.762 -1.686 0.000 1.924 316 H HN -0.179 nan 8.280 nan 0.000 0.527 317 K N 1.839 121.834 120.400 -0.676 0.000 2.451 317 K HA 0.056 4.376 4.320 -0.000 0.000 0.280 317 K C -0.437 176.139 176.600 -0.039 0.000 1.020 317 K CA 0.335 56.447 56.287 -0.292 0.000 1.008 317 K CB 0.581 32.919 32.500 -0.270 0.000 0.917 317 K HN 0.399 nan 8.250 nan 0.000 0.478 318 T N 3.392 118.007 114.554 0.101 0.000 2.845 318 T HA 0.102 4.452 4.350 -0.000 0.000 0.288 318 T C 0.355 175.161 174.700 0.176 0.000 0.980 318 T CA -0.652 61.600 62.100 0.253 0.000 1.071 318 T CB 0.812 69.806 68.868 0.211 0.000 0.941 318 T HN 0.615 nan 8.240 nan 0.000 0.487 319 D N 2.804 123.328 120.400 0.206 0.000 2.262 319 D HA 0.160 4.800 4.640 -0.000 0.000 0.212 319 D C 0.199 176.536 176.300 0.063 0.000 0.964 319 D CA 0.822 54.902 54.000 0.134 0.000 0.875 319 D CB 0.724 41.627 40.800 0.173 0.000 0.996 319 D HN 0.388 nan 8.370 nan 0.000 0.497 320 I N 0.423 121.028 120.570 0.059 0.000 2.534 320 I HA 0.377 4.547 4.170 -0.000 0.000 0.288 320 I C -1.053 175.090 176.117 0.042 0.000 1.077 320 I CA -0.641 60.675 61.300 0.027 0.000 1.051 320 I CB 2.475 40.470 38.000 -0.008 0.000 1.234 320 I HN -0.213 nan 8.210 nan 0.000 0.425 321 A N 5.856 128.702 122.820 0.043 0.000 2.356 321 A HA 0.863 5.183 4.320 -0.000 0.000 0.310 321 A C -1.219 176.384 177.584 0.033 0.000 1.075 321 A CA -0.569 51.500 52.037 0.053 0.000 0.746 321 A CB 1.507 20.551 19.000 0.073 0.000 1.221 321 A HN 0.397 nan 8.150 nan 0.000 0.443 322 V N 3.491 123.421 119.914 0.028 0.000 2.350 322 V HA 0.256 4.376 4.120 -0.000 0.000 0.285 322 V C -0.499 175.607 176.094 0.020 0.000 1.014 322 V CA -0.344 61.966 62.300 0.017 0.000 0.831 322 V CB 1.290 33.116 31.823 0.006 0.000 1.000 322 V HN 0.789 nan 8.190 nan 0.000 0.433 323 L N 6.039 127.273 121.223 0.018 0.000 2.404 323 L HA 0.739 5.079 4.340 -0.000 0.000 0.277 323 L C 0.300 177.175 176.870 0.009 0.000 1.184 323 L CA 0.580 55.430 54.840 0.017 0.000 1.013 323 L CB -0.446 41.623 42.059 0.017 0.000 1.318 323 L HN 0.810 nan 8.230 nan 0.000 0.435 324 A N 2.817 125.641 122.820 0.006 0.000 2.601 324 A HA 0.428 4.748 4.320 -0.000 0.000 0.291 324 A C -1.220 176.364 177.584 -0.001 0.000 1.075 324 A CA -0.851 51.187 52.037 0.001 0.000 0.671 324 A CB 0.590 19.589 19.000 -0.002 0.000 1.277 324 A HN 0.447 nan 8.150 nan 0.000 0.417 325 D N 0.815 121.213 120.400 -0.003 0.000 2.488 325 D HA 0.381 5.021 4.640 -0.000 0.000 0.238 325 D C 1.332 177.626 176.300 -0.009 0.000 1.138 325 D CA 1.023 55.020 54.000 -0.005 0.000 0.873 325 D CB 1.145 41.941 40.800 -0.005 0.000 1.183 325 D HN 0.775 nan 8.370 nan 0.000 0.458 326 A N 3.581 126.394 122.820 -0.011 0.000 1.877 326 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 326 A C 1.989 179.558 177.584 -0.026 0.000 1.186 326 A CA 1.860 53.886 52.037 -0.018 0.000 0.620 326 A CB -0.776 18.212 19.000 -0.019 0.000 0.822 326 A HN 0.820 nan 8.150 nan 0.000 0.443 327 Q N -0.231 119.553 119.800 -0.026 0.000 2.079 327 Q HA -0.192 4.148 4.340 -0.000 0.000 0.200 327 Q C 1.956 177.940 176.000 -0.026 0.000 0.974 327 Q CA 1.776 57.560 55.803 -0.032 0.000 0.840 327 Q CB -0.145 28.576 28.738 -0.029 0.000 0.898 327 Q HN 0.673 nan 8.270 nan 0.000 0.430 328 K N -0.475 119.914 120.400 -0.019 0.000 2.063 328 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 328 K C 2.104 178.694 176.600 -0.018 0.000 1.048 328 K CA 1.832 58.109 56.287 -0.017 0.000 0.928 328 K CB -0.081 32.412 32.500 -0.013 0.000 0.713 328 K HN 0.244 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 -0.038 4.312 4.350 -0.000 0.000 0.264 329 T C 1.908 176.597 174.700 -0.020 0.000 1.042 329 T CA 0.864 62.954 62.100 -0.016 0.000 1.140 329 T CB -0.140 68.720 68.868 -0.013 0.000 0.870 329 T HN 0.080 nan 8.240 nan 0.000 0.445 330 L N 0.885 122.093 121.223 -0.025 0.000 2.083 330 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 330 L C 3.041 179.892 176.870 -0.031 0.000 1.083 330 L CA 1.138 55.960 54.840 -0.030 0.000 0.752 330 L CB -0.655 41.378 42.059 -0.044 0.000 0.899 330 L HN 0.242 nan 8.230 nan 0.000 0.433 331 A N 0.024 122.825 122.820 -0.031 0.000 1.902 331 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 331 A C 2.536 180.106 177.584 -0.024 0.000 1.181 331 A CA 1.716 53.735 52.037 -0.029 0.000 0.623 331 A CB -0.677 18.307 19.000 -0.027 0.000 0.818 331 A HN 0.399 nan 8.150 nan 0.000 0.443 332 A N 0.011 122.818 122.820 -0.021 0.000 1.902 332 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 332 A C 2.110 179.682 177.584 -0.019 0.000 1.181 332 A CA 1.502 53.528 52.037 -0.018 0.000 0.623 332 A CB -0.606 18.385 19.000 -0.016 0.000 0.818 332 A HN 0.509 nan 8.150 nan 0.000 0.443 333 I N -0.947 119.611 120.570 -0.019 0.000 2.179 333 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 333 I C 2.407 178.512 176.117 -0.021 0.000 1.088 333 I CA 1.257 62.546 61.300 -0.019 0.000 1.357 333 I CB -0.350 37.640 38.000 -0.016 0.000 1.051 333 I HN 0.355 nan 8.210 nan 0.000 0.409 334 L N 1.292 122.500 121.223 -0.024 0.000 2.079 334 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 334 L C 2.488 179.343 176.870 -0.025 0.000 1.081 334 L CA 1.992 56.815 54.840 -0.028 0.000 0.752 334 L CB -0.725 41.314 42.059 -0.033 0.000 0.896 334 L HN 0.204 nan 8.230 nan 0.000 0.433 335 A N -0.823 121.983 122.820 -0.023 0.000 2.067 335 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 335 A C 1.954 179.527 177.584 -0.019 0.000 1.158 335 A CA 1.436 53.461 52.037 -0.020 0.000 0.661 335 A CB -0.516 18.473 19.000 -0.018 0.000 0.801 335 A HN 0.760 nan 8.150 nan 0.000 0.452 336 Q N -0.331 119.458 119.800 -0.019 0.000 2.179 336 Q HA 0.366 4.706 4.340 -0.000 0.000 0.213 336 Q C -0.104 175.884 176.000 -0.020 0.000 0.833 336 Q CA 0.203 55.995 55.803 -0.018 0.000 0.990 336 Q CB -0.106 28.622 28.738 -0.017 0.000 1.132 336 Q HN 0.486 nan 8.270 nan 0.000 0.493 337 V N -1.654 118.247 119.914 -0.022 0.000 3.046 337 V HA 0.894 5.014 4.120 -0.000 0.000 0.316 337 V C -0.390 175.688 176.094 -0.027 0.000 1.104 337 V CA -0.348 61.937 62.300 -0.025 0.000 1.006 337 V CB 1.799 33.605 31.823 -0.028 0.000 1.058 337 V HN 0.319 nan 8.190 nan 0.000 0.440 338 S N 0.157 115.839 115.700 -0.029 0.000 2.704 338 S HA 0.666 5.136 4.470 -0.000 0.000 0.296 338 S C -0.397 174.179 174.600 -0.040 0.000 1.138 338 S CA -0.611 57.571 58.200 -0.030 0.000 0.875 338 S CB 1.464 64.649 63.200 -0.024 0.000 1.151 338 S HN 1.278 nan 8.310 nan 0.000 0.500 339 E N 0.879 121.054 120.200 -0.041 0.000 2.652 339 E HA 0.014 4.364 4.350 -0.000 0.000 0.255 339 E C -0.393 176.171 176.600 -0.060 0.000 0.952 339 E CA 0.678 57.046 56.400 -0.053 0.000 0.947 339 E CB 0.274 29.950 29.700 -0.040 0.000 0.912 339 E HN 0.459 nan 8.360 nan 0.000 0.489 340 R N 3.716 124.162 120.500 -0.090 0.000 2.604 340 R HA 0.220 4.560 4.340 -0.000 0.000 0.287 340 R C -0.155 176.081 176.300 -0.107 0.000 0.970 340 R CA -0.861 55.185 56.100 -0.090 0.000 0.946 340 R CB 1.254 31.489 30.300 -0.109 0.000 1.127 340 R HN 0.695 nan 8.270 nan 0.000 0.473 341 E N 1.169 121.327 120.200 -0.070 0.000 2.404 341 E HA -0.012 4.338 4.350 -0.000 0.000 0.261 341 E C -0.273 176.272 176.600 -0.091 0.000 1.074 341 E CA -0.024 56.342 56.400 -0.055 0.000 0.917 341 E CB 0.881 30.574 29.700 -0.012 0.000 0.965 341 E HN 0.467 nan 8.360 nan 0.000 0.433 342 S N 1.918 117.580 115.700 -0.064 0.000 2.542 342 S HA -0.025 4.445 4.470 -0.000 0.000 0.287 342 S C -0.240 174.392 174.600 0.054 0.000 1.315 342 S CA 0.574 58.771 58.200 -0.005 0.000 1.037 342 S CB 0.175 63.464 63.200 0.149 0.000 0.822 342 S HN 0.590 nan 8.310 nan 0.000 0.513 343 T N 1.505 116.138 114.554 0.132 0.000 2.883 343 T HA 0.591 4.941 4.350 -0.000 0.000 0.296 343 T C -2.444 172.354 174.700 0.164 0.000 1.117 343 T CA -1.651 60.540 62.100 0.152 0.000 1.006 343 T CB 1.347 70.323 68.868 0.180 0.000 1.191 343 T HN 0.323 nan 8.240 nan 0.000 0.508 344 P HA -0.076 nan 4.420 nan 0.000 0.215 344 P C 1.338 178.723 177.300 0.143 0.000 1.153 344 P CA 0.890 64.084 63.100 0.157 0.000 0.853 344 P CB -0.059 31.788 31.700 0.244 0.000 0.788 345 W N -0.444 120.884 121.300 0.047 0.000 2.335 345 W HA -0.199 4.461 4.660 0.000 0.000 0.311 345 W C 2.049 178.593 176.519 0.042 0.000 1.213 345 W CA 0.970 58.344 57.345 0.050 0.000 1.274 345 W CB -0.952 28.555 29.460 0.079 0.000 1.148 345 W HN 0.073 nan 8.180 nan 0.000 0.498 346 W N 1.693 122.922 121.300 -0.119 0.000 2.333 346 W HA -0.259 4.401 4.660 -0.000 0.000 0.316 346 W C 2.171 178.451 176.519 -0.399 0.000 1.215 346 W CA 1.640 58.824 57.345 -0.268 0.000 1.278 346 W CB -0.524 28.872 29.460 -0.108 0.000 1.154 346 W HN -0.009 nan 8.180 nan 0.000 0.486 347 Q N 0.544 120.061 119.800 -0.470 0.000 2.124 347 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 347 Q C 2.460 177.924 176.000 -0.894 0.000 0.977 347 Q CA 1.898 57.156 55.803 -0.909 0.000 0.850 347 Q CB -1.206 26.641 28.738 -1.485 0.000 0.901 347 Q HN 0.414 nan 8.270 nan 0.000 0.429 348 A N 1.850 124.267 122.820 -0.671 0.000 1.883 348 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 348 A C 1.952 179.311 177.584 -0.375 0.000 1.186 348 A CA 1.640 53.537 52.037 -0.233 0.000 0.624 348 A CB -0.561 18.436 19.000 -0.006 0.000 0.822 348 A HN 0.355 nan 8.150 nan 0.000 0.444 349 N N -0.057 118.296 118.700 -0.578 0.000 2.142 349 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 349 N C 1.778 176.930 175.510 -0.597 0.000 1.023 349 N CA 1.373 54.050 53.050 -0.622 0.000 0.852 349 N CB -0.344 37.676 38.487 -0.779 0.000 0.998 349 N HN 0.489 nan 8.380 nan 0.000 0.424 350 L N 0.982 121.783 121.223 -0.705 0.000 2.046 350 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 350 L C 2.553 179.114 176.870 -0.514 0.000 1.077 350 L CA 1.136 55.575 54.840 -0.668 0.000 0.747 350 L CB -0.510 41.073 42.059 -0.793 0.000 0.896 350 L HN 0.120 nan 8.230 nan 0.000 0.432 351 A N 0.036 122.540 122.820 -0.527 0.000 1.930 351 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 351 A C 2.057 179.102 177.584 -0.899 0.000 1.175 351 A CA 2.038 53.708 52.037 -0.611 0.000 0.627 351 A CB -0.664 18.005 19.000 -0.551 0.000 0.815 351 A HN 0.444 nan 8.150 nan 0.000 0.443 352 N N 0.163 118.349 118.700 -0.856 0.000 2.120 352 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 352 N C 1.519 176.871 175.510 -0.263 0.000 1.024 352 N CA 1.751 54.478 53.050 -0.538 0.000 0.852 352 N CB -0.388 37.934 38.487 -0.276 0.000 1.003 352 N HN 0.170 nan 8.380 nan 0.000 0.424 353 V N 0.997 120.744 119.914 -0.279 0.000 2.295 353 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 353 V C 2.216 178.269 176.094 -0.068 0.000 1.049 353 V CA 1.614 63.831 62.300 -0.138 0.000 1.024 353 V CB -0.432 31.260 31.823 -0.218 0.000 0.648 353 V HN 0.364 nan 8.190 nan 0.000 0.447 354 K N 0.232 120.531 120.400 -0.168 0.000 2.063 354 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 354 K C 2.177 178.750 176.600 -0.045 0.000 1.048 354 K CA 1.730 57.948 56.287 -0.115 0.000 0.928 354 K CB -0.445 31.965 32.500 -0.149 0.000 0.713 354 K HN 0.524 nan 8.250 nan 0.000 0.442 355 N N 0.576 119.250 118.700 -0.045 0.000 2.120 355 N HA -0.210 4.530 4.740 -0.000 0.000 0.188 355 N C 1.710 177.320 175.510 0.166 0.000 1.024 355 N CA 1.092 54.187 53.050 0.074 0.000 0.852 355 N CB -0.100 38.473 38.487 0.144 0.000 1.003 355 N HN 0.423 nan 8.380 nan 0.000 0.424 356 W N 1.983 123.264 121.300 -0.031 0.000 2.379 356 W HA -0.111 4.549 4.660 0.000 0.000 0.307 356 W C 1.913 178.455 176.519 0.039 0.000 1.200 356 W CA 0.818 58.168 57.345 0.009 0.000 1.297 356 W CB -0.170 29.255 29.460 -0.058 0.000 1.140 356 W HN 0.094 nan 8.180 nan 0.000 0.507 357 R N 0.291 120.753 120.500 -0.063 0.000 2.120 357 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 357 R C 2.473 178.663 176.300 -0.182 0.000 1.123 357 R CA 1.425 57.402 56.100 -0.206 0.000 0.975 357 R CB -0.785 29.463 30.300 -0.087 0.000 0.866 357 R HN 0.159 nan 8.270 nan 0.000 0.446 358 A N 0.695 123.465 122.820 -0.085 0.000 1.898 358 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 358 A C 1.951 179.488 177.584 -0.079 0.000 1.181 358 A CA 1.106 53.104 52.037 -0.064 0.000 0.620 358 A CB -0.691 18.302 19.000 -0.010 0.000 0.819 358 A HN 0.436 nan 8.150 nan 0.000 0.442 359 Y N 0.851 121.037 120.300 -0.189 0.000 2.081 359 Y HA -0.255 4.295 4.550 0.000 0.000 0.280 359 Y C 1.949 177.639 175.900 -0.350 0.000 1.163 359 Y CA 2.120 60.074 58.100 -0.243 0.000 1.135 359 Y CB -0.501 37.823 38.460 -0.225 0.000 0.970 359 Y HN 0.224 nan 8.280 nan 0.000 0.498 360 L N -0.149 120.663 121.223 -0.686 0.000 2.046 360 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 360 L C 2.837 179.479 176.870 -0.380 0.000 1.077 360 L CA 1.227 55.660 54.840 -0.677 0.000 0.747 360 L CB -1.185 40.464 42.059 -0.685 0.000 0.896 360 L HN 0.364 nan 8.230 nan 0.000 0.432 361 A N 0.408 123.059 122.820 -0.281 0.000 1.940 361 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 361 A C 2.557 180.026 177.584 -0.192 0.000 1.176 361 A CA 2.180 54.107 52.037 -0.184 0.000 0.631 361 A CB -0.768 18.152 19.000 -0.132 0.000 0.814 361 A HN 0.552 nan 8.150 nan 0.000 0.446 362 S N 0.033 115.595 115.700 -0.229 0.000 2.382 362 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 362 S C 1.889 176.349 174.600 -0.233 0.000 1.027 362 S CA 1.465 59.549 58.200 -0.194 0.000 0.991 362 S CB -0.741 62.365 63.200 -0.157 0.000 0.823 362 S HN 0.475 nan 8.310 nan 0.000 0.469 363 L N 1.057 122.053 121.223 -0.378 0.000 2.027 363 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 363 L C 2.941 179.696 176.870 -0.192 0.000 1.074 363 L CA 1.750 56.372 54.840 -0.364 0.000 0.745 363 L CB -0.673 40.938 42.059 -0.747 0.000 0.898 363 L HN 0.380 nan 8.230 nan 0.000 0.433 364 E N -0.027 120.053 120.200 -0.200 0.000 2.150 364 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 364 E C 1.175 177.702 176.600 -0.122 0.000 0.985 364 E CA 1.014 57.318 56.400 -0.161 0.000 0.814 364 E CB 0.019 29.634 29.700 -0.141 0.000 0.752 364 E HN 0.428 nan 8.360 nan 0.000 0.466 365 D N 0.645 120.977 120.400 -0.114 0.000 2.340 365 D HA 0.019 4.659 4.640 -0.000 0.000 0.220 365 D C -0.122 176.135 176.300 -0.072 0.000 1.039 365 D CA 0.295 54.242 54.000 -0.088 0.000 0.866 365 D CB 0.129 40.880 40.800 -0.082 0.000 0.913 365 D HN 0.037 nan 8.370 nan 0.000 0.523 366 K N 0.896 121.254 120.400 -0.069 0.000 2.527 366 K HA -0.005 4.315 4.320 -0.000 0.000 0.278 366 K C 1.132 177.703 176.600 -0.049 0.000 0.981 366 K CA 0.339 56.596 56.287 -0.050 0.000 1.009 366 K CB 0.832 33.310 32.500 -0.036 0.000 0.895 366 K HN -0.052 nan 8.250 nan 0.000 0.493 367 Q N 1.370 121.147 119.800 -0.039 0.000 2.378 367 Q HA 0.020 4.360 4.340 -0.000 0.000 0.229 367 Q C -0.018 175.963 176.000 -0.030 0.000 0.882 367 Q CA 0.791 56.572 55.803 -0.037 0.000 0.936 367 Q CB 0.820 29.539 28.738 -0.032 0.000 1.092 367 Q HN 0.794 nan 8.270 nan 0.000 0.535 368 E N -1.652 118.533 120.200 -0.025 0.000 2.430 368 E HA 0.598 4.948 4.350 -0.000 0.000 0.279 368 E C -0.278 176.312 176.600 -0.017 0.000 1.003 368 E CA -0.591 55.797 56.400 -0.020 0.000 0.801 368 E CB 1.924 31.615 29.700 -0.016 0.000 1.313 368 E HN 0.012 nan 8.360 nan 0.000 0.459 369 G N 0.517 109.308 108.800 -0.015 0.000 2.373 369 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.634 369 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.634 369 G C -2.994 171.898 174.900 -0.014 0.000 1.267 369 G CA -0.653 44.439 45.100 -0.013 0.000 1.008 369 G HN 0.517 nan 8.290 nan 0.000 0.497 370 P HA 0.390 nan 4.420 nan 0.000 0.267 370 P C 0.150 177.435 177.300 -0.024 0.000 1.209 370 P CA -0.359 62.731 63.100 -0.018 0.000 0.763 370 P CB 0.709 32.399 31.700 -0.017 0.000 0.816 371 L N 4.694 125.899 121.223 -0.030 0.000 2.499 371 L HA 0.053 4.393 4.340 -0.000 0.000 0.273 371 L C 0.161 176.992 176.870 -0.065 0.000 1.195 371 L CA 0.946 55.760 54.840 -0.044 0.000 0.882 371 L CB -0.371 41.664 42.059 -0.040 0.000 1.133 371 L HN 0.400 nan 8.230 nan 0.000 0.483 372 Q N 3.346 123.090 119.800 -0.094 0.000 2.359 372 Q HA 0.573 4.913 4.340 -0.000 0.000 0.275 372 Q C 0.906 176.770 176.000 -0.228 0.000 1.082 372 Q CA -0.313 55.372 55.803 -0.197 0.000 0.849 372 Q CB 1.446 30.024 28.738 -0.267 0.000 1.377 372 Q HN 0.763 nan 8.270 nan 0.000 0.452 373 A N 0.383 123.014 122.820 -0.316 0.000 1.986 373 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 373 A C 1.391 178.885 177.584 -0.149 0.000 1.171 373 A CA 1.745 53.735 52.037 -0.078 0.000 0.640 373 A CB -0.747 18.163 19.000 -0.150 0.000 0.811 373 A HN 0.753 nan 8.150 nan 0.000 0.451 374 Y N -0.074 120.142 120.300 -0.139 0.000 2.145 374 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 374 Y C 2.605 178.271 175.900 -0.389 0.000 1.145 374 Y CA 1.561 59.387 58.100 -0.456 0.000 1.148 374 Y CB -1.106 37.109 38.460 -0.409 0.000 0.981 374 Y HN 0.368 nan 8.280 nan 0.000 0.507 375 Q N -0.095 119.646 119.800 -0.100 0.000 2.123 375 Q HA -0.072 4.267 4.340 -0.000 0.000 0.199 375 Q C 2.383 178.267 176.000 -0.194 0.000 0.966 375 Q CA 1.342 57.061 55.803 -0.140 0.000 0.845 375 Q CB -0.646 28.030 28.738 -0.103 0.000 0.907 375 Q HN 0.335 nan 8.270 nan 0.000 0.439 376 V N 0.724 120.552 119.914 -0.144 0.000 2.282 376 V HA -0.287 3.832 4.120 -0.000 0.000 0.249 376 V C 2.066 178.057 176.094 -0.171 0.000 1.057 376 V CA 1.757 63.954 62.300 -0.170 0.000 1.032 376 V CB -0.626 31.129 31.823 -0.112 0.000 0.645 376 V HN 0.330 nan 8.190 nan 0.000 0.447 377 L N -0.388 120.811 121.223 -0.040 0.000 2.093 377 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 377 L C 2.797 179.574 176.870 -0.155 0.000 1.085 377 L CA 1.443 56.254 54.840 -0.048 0.000 0.755 377 L CB -0.670 41.379 42.059 -0.016 0.000 0.904 377 L HN 0.259 nan 8.230 nan 0.000 0.435 378 R N 0.939 121.317 120.500 -0.204 0.000 2.091 378 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 378 R C 2.114 178.262 176.300 -0.253 0.000 1.136 378 R CA 1.857 57.843 56.100 -0.192 0.000 0.959 378 R CB -0.340 29.852 30.300 -0.179 0.000 0.856 378 R HN 0.357 nan 8.270 nan 0.000 0.437 379 A N 0.347 122.912 122.820 -0.424 0.000 1.930 379 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 379 A C 2.441 179.658 177.584 -0.611 0.000 1.175 379 A CA 1.380 53.000 52.037 -0.695 0.000 0.627 379 A CB -0.434 17.767 19.000 -1.331 0.000 0.815 379 A HN 0.202 nan 8.150 nan 0.000 0.443 380 V N 1.038 120.692 119.914 -0.433 0.000 2.261 380 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 380 V C 2.329 178.374 176.094 -0.082 0.000 1.047 380 V CA 2.189 64.424 62.300 -0.108 0.000 1.015 380 V CB -0.993 30.749 31.823 -0.136 0.000 0.642 380 V HN 0.550 nan 8.190 nan 0.000 0.446 381 N N 0.292 118.929 118.700 -0.106 0.000 2.094 381 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 381 N C 1.768 177.275 175.510 -0.005 0.000 1.023 381 N CA 1.269 54.291 53.050 -0.046 0.000 0.857 381 N CB -0.346 38.104 38.487 -0.062 0.000 1.013 381 N HN 0.407 nan 8.380 nan 0.000 0.426 382 K N 0.840 121.217 120.400 -0.038 0.000 2.211 382 K HA -0.011 4.309 4.320 -0.000 0.000 0.203 382 K C 1.859 178.491 176.600 0.053 0.000 1.050 382 K CA 0.594 56.875 56.287 -0.011 0.000 0.945 382 K CB -0.075 32.393 32.500 -0.054 0.000 0.732 382 K HN 0.488 nan 8.250 nan 0.000 0.451 383 I N -2.681 117.961 120.570 0.120 0.000 3.956 383 I HA 0.254 4.424 4.170 -0.000 0.000 0.333 383 I C 0.538 176.812 176.117 0.261 0.000 1.302 383 I CA -0.428 60.990 61.300 0.196 0.000 1.122 383 I CB 0.315 38.484 38.000 0.282 0.000 1.013 383 I HN -0.267 nan 8.210 nan 0.000 0.405 384 A N 1.833 124.807 122.820 0.255 0.000 2.409 384 A HA 0.360 4.680 4.320 -0.000 0.000 0.262 384 A C 0.150 177.854 177.584 0.201 0.000 1.113 384 A CA -0.238 51.991 52.037 0.321 0.000 0.790 384 A CB 0.082 19.242 19.000 0.267 0.000 1.046 384 A HN 0.487 nan 8.150 nan 0.000 0.496 385 E N 2.656 122.965 120.200 0.181 0.000 2.374 385 E HA 0.147 4.497 4.350 -0.000 0.000 0.260 385 E C -1.519 175.145 176.600 0.107 0.000 1.101 385 E CA -1.592 54.871 56.400 0.105 0.000 0.907 385 E CB 0.468 30.205 29.700 0.061 0.000 1.014 385 E HN 0.445 nan 8.360 nan 0.000 0.427 386 P HA -0.134 nan 4.420 nan 0.000 0.222 386 P C 0.075 177.419 177.300 0.072 0.000 1.147 386 P CA 1.151 64.294 63.100 0.072 0.000 0.790 386 P CB 0.128 31.857 31.700 0.049 0.000 0.780 387 D N -1.735 118.698 120.400 0.055 0.000 2.559 387 D HA 0.238 4.878 4.640 -0.000 0.000 0.234 387 D C 0.272 176.581 176.300 0.013 0.000 1.226 387 D CA -0.758 53.260 54.000 0.031 0.000 0.830 387 D CB -0.674 40.129 40.800 0.005 0.000 1.028 387 D HN -0.040 nan 8.370 nan 0.000 0.492 388 A N 0.578 123.429 122.820 0.052 0.000 2.520 388 A HA 0.394 4.714 4.320 -0.000 0.000 0.235 388 A C 0.237 177.768 177.584 -0.088 0.000 1.065 388 A CA -0.010 52.013 52.037 -0.024 0.000 0.764 388 A CB 0.152 19.169 19.000 0.028 0.000 1.002 388 A HN 0.398 nan 8.150 nan 0.000 0.502 389 I N 0.814 121.278 120.570 -0.177 0.000 2.441 389 I HA 0.355 4.525 4.170 -0.000 0.000 0.295 389 I C -1.269 174.755 176.117 -0.156 0.000 0.994 389 I CA -0.333 60.916 61.300 -0.086 0.000 1.144 389 I CB 1.574 39.529 38.000 -0.076 0.000 1.314 389 I HN 0.608 nan 8.210 nan 0.000 0.445 390 Y N 3.669 124.088 120.300 0.198 0.000 2.328 390 Y HA 0.329 4.879 4.550 -0.000 0.000 0.336 390 Y C 0.355 176.364 175.900 0.182 0.000 0.960 390 Y CA -0.608 57.627 58.100 0.226 0.000 1.134 390 Y CB 2.002 40.568 38.460 0.177 0.000 1.166 390 Y HN 0.411 nan 8.280 nan 0.000 0.464 391 S N 5.218 121.082 115.700 0.274 0.000 2.422 391 S HA 0.656 5.126 4.470 -0.000 0.000 0.308 391 S C -0.734 173.989 174.600 0.204 0.000 1.097 391 S CA -0.418 57.899 58.200 0.195 0.000 1.099 391 S CB -0.230 63.047 63.200 0.128 0.000 0.976 391 S HN 0.574 nan 8.310 nan 0.000 0.471 392 I N 4.251 124.930 120.570 0.182 0.000 2.404 392 I HA 0.351 4.521 4.170 -0.000 0.000 0.293 392 I C 0.702 176.877 176.117 0.096 0.000 0.992 392 I CA -0.841 60.553 61.300 0.158 0.000 1.149 392 I CB 1.622 39.739 38.000 0.196 0.000 1.315 392 I HN 0.613 nan 8.210 nan 0.000 0.446 393 D N 3.866 124.300 120.400 0.056 0.000 2.315 393 D HA 0.308 4.948 4.640 -0.000 0.000 0.275 393 D C -0.835 175.446 176.300 -0.031 0.000 1.218 393 D CA 0.066 54.076 54.000 0.016 0.000 1.040 393 D CB 1.452 42.259 40.800 0.011 0.000 1.123 393 D HN 0.090 nan 8.370 nan 0.000 0.541 394 V N -0.210 119.661 119.914 -0.073 0.000 2.444 394 V HA 0.669 4.789 4.120 -0.000 0.000 0.294 394 V C 0.723 176.668 176.094 -0.247 0.000 1.022 394 V CA 0.223 62.423 62.300 -0.166 0.000 0.850 394 V CB 0.835 32.580 31.823 -0.130 0.000 0.992 394 V HN 0.884 nan 8.190 nan 0.000 0.426 395 G N 3.682 112.188 108.800 -0.490 0.000 2.334 395 G HA2 0.024 3.984 3.960 -0.000 0.000 0.249 395 G HA3 0.024 3.984 3.960 -0.000 0.000 0.249 395 G C -0.089 174.468 174.900 -0.571 0.000 1.327 395 G CA 0.035 44.822 45.100 -0.522 0.000 0.979 395 G HN 0.422 nan 8.290 nan 0.000 0.471 396 D N -0.396 119.980 120.400 -0.040 0.000 2.203 396 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 396 D C 2.362 178.569 176.300 -0.155 0.000 0.997 396 D CA 1.441 55.495 54.000 0.089 0.000 0.863 396 D CB -0.039 40.835 40.800 0.124 0.000 0.928 396 D HN 0.305 nan 8.370 nan 0.000 0.458 397 I N 1.330 121.736 120.570 -0.273 0.000 2.264 397 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 397 I C 1.347 177.302 176.117 -0.269 0.000 1.111 397 I CA 1.397 62.478 61.300 -0.364 0.000 1.382 397 I CB -0.402 37.376 38.000 -0.369 0.000 1.060 397 I HN -0.017 nan 8.210 nan 0.000 0.418 398 N N 0.209 118.720 118.700 -0.316 0.000 2.069 398 N HA -0.221 4.519 4.740 -0.000 0.000 0.191 398 N C 1.933 177.197 175.510 -0.411 0.000 1.031 398 N CA 1.778 54.604 53.050 -0.373 0.000 0.852 398 N CB -0.437 37.732 38.487 -0.530 0.000 1.018 398 N HN 0.461 nan 8.380 nan 0.000 0.423 399 L N 0.745 121.804 121.223 -0.273 0.000 2.027 399 L HA -0.125 4.215 4.340 -0.000 0.000 0.206 399 L C 1.599 178.453 176.870 -0.027 0.000 1.074 399 L CA 1.388 56.185 54.840 -0.073 0.000 0.745 399 L CB -0.224 41.956 42.059 0.201 0.000 0.898 399 L HN 0.191 nan 8.230 nan 0.000 0.433 400 N N 0.499 119.190 118.700 -0.015 0.000 2.106 400 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 400 N C 1.832 177.375 175.510 0.055 0.000 1.029 400 N CA 1.584 54.684 53.050 0.083 0.000 0.848 400 N CB -0.443 38.051 38.487 0.011 0.000 1.007 400 N HN 0.508 nan 8.380 nan 0.000 0.423 401 A N 1.173 123.952 122.820 -0.067 0.000 1.933 401 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 401 A C 2.146 179.693 177.584 -0.063 0.000 1.175 401 A CA 1.671 53.664 52.037 -0.073 0.000 0.628 401 A CB -0.800 18.149 19.000 -0.085 0.000 0.814 401 A HN 0.336 nan 8.150 nan 0.000 0.444 402 N N -0.292 118.383 118.700 -0.042 0.000 2.104 402 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 402 N C 1.846 177.360 175.510 0.005 0.000 1.024 402 N CA 1.916 54.978 53.050 0.020 0.000 0.853 402 N CB -0.237 38.225 38.487 -0.042 0.000 1.008 402 N HN 0.538 nan 8.380 nan 0.000 0.424 403 R N -1.539 118.921 120.500 -0.067 0.000 2.075 403 R HA 0.046 4.386 4.340 -0.000 0.000 0.226 403 R C 1.655 177.753 176.300 -0.337 0.000 1.114 403 R CA 1.087 57.070 56.100 -0.196 0.000 0.972 403 R CB -0.177 29.904 30.300 -0.366 0.000 0.869 403 R HN 0.463 nan 8.270 nan 0.000 0.437 404 H N -0.082 118.954 119.070 -0.057 0.000 2.516 404 H HA 0.179 4.735 4.556 -0.000 0.000 0.284 404 H C 0.618 175.873 175.328 -0.122 0.000 0.999 404 H CA 0.095 56.088 56.048 -0.093 0.000 1.303 404 H CB 0.248 29.967 29.762 -0.072 0.000 1.452 404 H HN 0.012 nan 8.280 nan 0.000 0.530 405 L N 2.401 123.581 121.223 -0.071 0.000 2.499 405 L HA 0.017 4.357 4.340 -0.000 0.000 0.273 405 L C 0.333 177.114 176.870 -0.149 0.000 1.195 405 L CA 0.455 55.172 54.840 -0.205 0.000 0.882 405 L CB 0.484 42.279 42.059 -0.441 0.000 1.133 405 L HN -0.090 nan 8.230 nan 0.000 0.483 406 K N 5.731 126.060 120.400 -0.119 0.000 2.296 406 K HA 0.464 4.784 4.320 -0.000 0.000 0.257 406 K C -0.788 175.779 176.600 -0.056 0.000 1.088 406 K CA -0.207 56.043 56.287 -0.062 0.000 0.980 406 K CB 0.662 33.144 32.500 -0.030 0.000 1.430 406 K HN 0.447 nan 8.250 nan 0.000 0.441 407 L N 1.547 122.726 121.223 -0.075 0.000 2.352 407 L HA 0.512 4.852 4.340 -0.000 0.000 0.269 407 L C 0.681 177.538 176.870 -0.021 0.000 1.034 407 L CA -0.669 54.141 54.840 -0.050 0.000 0.806 407 L CB 1.703 43.700 42.059 -0.104 0.000 1.244 407 L HN 0.580 nan 8.230 nan 0.000 0.447 408 T N -2.882 111.678 114.554 0.010 0.000 2.838 408 T HA 0.409 4.759 4.350 -0.000 0.000 0.292 408 T C -2.422 172.289 174.700 0.018 0.000 1.113 408 T CA -1.799 60.304 62.100 0.006 0.000 1.008 408 T CB 1.846 70.724 68.868 0.016 0.000 1.259 408 T HN 0.213 nan 8.240 nan 0.000 0.520 409 P HA -0.039 nan 4.420 nan 0.000 0.220 409 P C 1.400 178.712 177.300 0.021 0.000 1.144 409 P CA 0.943 64.049 63.100 0.009 0.000 0.800 409 P CB -0.103 31.591 31.700 -0.009 0.000 0.772 410 S N -1.597 114.118 115.700 0.025 0.000 2.453 410 S HA -0.022 4.448 4.470 -0.000 0.000 0.231 410 S C 0.853 175.473 174.600 0.032 0.000 1.005 410 S CA 0.538 58.753 58.200 0.025 0.000 0.949 410 S CB -0.783 62.434 63.200 0.027 0.000 0.774 410 S HN 0.353 nan 8.310 nan 0.000 0.510 411 N N 0.998 119.739 118.700 0.068 0.000 2.463 411 N HA 0.360 5.100 4.740 -0.000 0.000 0.270 411 N C -0.191 175.383 175.510 0.108 0.000 1.205 411 N CA -0.344 52.776 53.050 0.118 0.000 0.974 411 N CB 0.550 39.161 38.487 0.208 0.000 1.197 411 N HN -0.043 nan 8.380 nan 0.000 0.504 412 R N 0.632 121.210 120.500 0.130 0.000 2.686 412 R HA 0.389 4.729 4.340 -0.000 0.000 0.286 412 R C -1.109 175.373 176.300 0.303 0.000 0.969 412 R CA -0.804 55.377 56.100 0.135 0.000 0.898 412 R CB 1.124 31.423 30.300 -0.001 0.000 1.183 412 R HN 0.913 nan 8.270 nan 0.000 0.456 413 H N -0.415 118.724 119.070 0.115 0.000 2.806 413 H HA 0.770 5.326 4.556 -0.000 0.000 0.367 413 H C -0.449 174.914 175.328 0.057 0.000 1.136 413 H CA -1.054 55.078 56.048 0.139 0.000 1.178 413 H CB 1.752 31.584 29.762 0.116 0.000 1.718 413 H HN 0.567 nan 8.280 nan 0.000 0.540 414 I N -0.123 120.460 120.570 0.022 0.000 2.769 414 I HA 0.784 4.954 4.170 -0.000 0.000 0.298 414 I C -0.930 175.203 176.117 0.027 0.000 1.128 414 I CA -0.769 60.495 61.300 -0.062 0.000 1.031 414 I CB 2.543 40.537 38.000 -0.010 0.000 1.235 414 I HN 0.778 nan 8.210 nan 0.000 0.423 415 T N 1.370 115.921 114.554 -0.005 0.000 2.654 415 T HA 0.361 4.711 4.350 -0.000 0.000 0.289 415 T C -0.857 173.864 174.700 0.035 0.000 1.062 415 T CA -0.449 61.684 62.100 0.055 0.000 1.041 415 T CB 1.910 70.857 68.868 0.132 0.000 1.417 415 T HN 0.743 nan 8.240 nan 0.000 0.510 416 S N 1.740 117.477 115.700 0.062 0.000 2.701 416 S HA 0.211 4.681 4.470 -0.000 0.000 0.317 416 S C 1.003 175.660 174.600 0.096 0.000 1.149 416 S CA -0.583 57.666 58.200 0.081 0.000 1.052 416 S CB -0.794 62.470 63.200 0.107 0.000 1.257 416 S HN 0.537 nan 8.310 nan 0.000 0.532 417 N N 3.581 122.324 118.700 0.071 0.000 2.120 417 N HA -0.054 4.686 4.740 -0.000 0.000 0.188 417 N C 1.208 176.799 175.510 0.134 0.000 1.024 417 N CA 1.090 54.195 53.050 0.093 0.000 0.852 417 N CB -0.204 38.305 38.487 0.036 0.000 1.003 417 N HN 0.585 nan 8.380 nan 0.000 0.424 418 L N -1.776 119.526 121.223 0.131 0.000 2.600 418 L HA 0.313 4.653 4.340 -0.000 0.000 0.213 418 L C 1.515 178.496 176.870 0.185 0.000 1.045 418 L CA 0.381 55.302 54.840 0.135 0.000 0.863 418 L CB -0.574 41.559 42.059 0.123 0.000 1.189 418 L HN -0.111 nan 8.230 nan 0.000 0.484 419 F N 2.182 122.161 119.950 0.048 0.000 2.234 419 F HA 0.222 4.749 4.527 -0.000 0.000 0.299 419 F C 1.612 177.434 175.800 0.035 0.000 1.087 419 F CA 0.719 58.749 58.000 0.051 0.000 1.340 419 F CB -0.378 38.668 39.000 0.076 0.000 1.031 419 F HN 0.226 nan 8.300 nan 0.000 0.500 420 A N 0.940 123.820 122.820 0.099 0.000 2.610 420 A HA -0.248 4.072 4.320 -0.000 0.000 0.299 420 A C 0.744 178.257 177.584 -0.119 0.000 1.487 420 A CA 0.945 52.976 52.037 -0.010 0.000 0.743 420 A CB -2.625 16.362 19.000 -0.021 0.000 1.070 420 A HN 0.445 nan 8.150 nan 0.000 0.439 421 T N 0.874 115.401 114.554 -0.044 0.000 2.779 421 T HA 0.511 4.861 4.350 -0.000 0.000 0.296 421 T C 0.741 175.421 174.700 -0.032 0.000 0.938 421 T CA -0.084 61.974 62.100 -0.070 0.000 1.119 421 T CB -0.158 68.780 68.868 0.118 0.000 0.891 421 T HN 0.465 nan 8.240 nan 0.000 0.526 422 M N 3.903 123.463 119.600 -0.067 0.000 2.245 422 M HA 0.288 4.768 4.480 -0.000 0.000 0.312 422 M C 1.679 177.965 176.300 -0.022 0.000 1.070 422 M CA 1.516 56.792 55.300 -0.040 0.000 1.162 422 M CB 0.218 32.794 32.600 -0.040 0.000 1.448 422 M HN 1.006 nan 8.290 nan 0.000 0.446 423 G N -0.024 108.768 108.800 -0.013 0.000 2.194 423 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.236 423 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.236 423 G C 0.446 175.336 174.900 -0.017 0.000 0.987 423 G CA 0.296 45.383 45.100 -0.021 0.000 0.635 423 G HN 0.827 nan 8.290 nan 0.000 0.520 424 V N -0.425 119.489 119.914 -0.000 0.000 2.970 424 V HA 0.341 4.461 4.120 -0.000 0.000 0.260 424 V C 2.633 178.736 176.094 0.014 0.000 1.100 424 V CA 1.952 64.256 62.300 0.006 0.000 1.122 424 V CB -1.039 30.799 31.823 0.025 0.000 0.721 424 V HN 0.923 nan 8.190 nan 0.000 0.483 425 G N 1.200 110.014 108.800 0.024 0.000 2.514 425 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 425 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 425 G C 1.492 176.414 174.900 0.036 0.000 1.198 425 G CA 1.597 46.724 45.100 0.046 0.000 0.780 425 G HN 0.530 nan 8.290 nan 0.000 0.565 426 I N 1.855 122.433 120.570 0.014 0.000 2.113 426 I HA -0.107 4.063 4.170 -0.000 0.000 0.238 426 I C 0.073 176.183 176.117 -0.011 0.000 1.070 426 I CA 1.255 62.559 61.300 0.006 0.000 1.332 426 I CB -0.858 37.143 38.000 0.002 0.000 1.044 426 I HN 0.185 nan 8.210 nan 0.000 0.402 427 P HA -0.144 nan 4.420 nan 0.000 0.216 427 P C 1.601 178.864 177.300 -0.062 0.000 1.150 427 P CA 2.013 65.061 63.100 -0.088 0.000 0.837 427 P CB -0.341 31.282 31.700 -0.128 0.000 0.786 428 G N 0.266 109.056 108.800 -0.017 0.000 2.432 428 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.219 428 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.219 428 G C 1.740 176.667 174.900 0.045 0.000 1.135 428 G CA 0.958 46.070 45.100 0.020 0.000 0.767 428 G HN 0.379 nan 8.290 nan 0.000 0.550 429 A N 0.456 123.301 122.820 0.041 0.000 1.970 429 A HA 0.210 4.530 4.320 -0.000 0.000 0.216 429 A C 2.343 179.946 177.584 0.032 0.000 1.170 429 A CA 0.788 52.852 52.037 0.046 0.000 0.645 429 A CB -0.226 18.800 19.000 0.044 0.000 0.816 429 A HN 0.352 nan 8.150 nan 0.000 0.447 430 I N -0.071 120.507 120.570 0.014 0.000 2.127 430 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 430 I C 3.005 179.138 176.117 0.027 0.000 1.075 430 I CA 1.210 62.518 61.300 0.012 0.000 1.334 430 I CB -0.333 37.664 38.000 -0.005 0.000 1.040 430 I HN 0.355 nan 8.210 nan 0.000 0.405 431 A N 0.658 123.506 122.820 0.046 0.000 1.908 431 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 431 A C 2.541 180.196 177.584 0.119 0.000 1.181 431 A CA 1.983 54.092 52.037 0.119 0.000 0.627 431 A CB -0.954 18.123 19.000 0.129 0.000 0.818 431 A HN 0.454 nan 8.150 nan 0.000 0.445 432 A N -0.312 122.585 122.820 0.129 0.000 1.883 432 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 432 A C 2.098 179.793 177.584 0.185 0.000 1.186 432 A CA 2.491 54.651 52.037 0.205 0.000 0.624 432 A CB -0.406 18.682 19.000 0.146 0.000 0.822 432 A HN 0.430 nan 8.150 nan 0.000 0.444 433 K N -0.127 120.321 120.400 0.080 0.000 2.155 433 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 433 K C 1.714 178.312 176.600 -0.003 0.000 1.052 433 K CA 0.993 57.307 56.287 0.044 0.000 0.948 433 K CB -0.537 31.970 32.500 0.012 0.000 0.728 433 K HN 0.478 nan 8.250 nan 0.000 0.448 434 L N 0.649 121.831 121.223 -0.069 0.000 2.046 434 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 434 L C 1.805 178.588 176.870 -0.145 0.000 1.077 434 L CA 1.252 55.969 54.840 -0.204 0.000 0.747 434 L CB -0.438 41.300 42.059 -0.536 0.000 0.896 434 L HN 0.250 nan 8.230 nan 0.000 0.432 435 N N -1.011 117.628 118.700 -0.101 0.000 2.354 435 N HA -0.081 4.659 4.740 -0.000 0.000 0.179 435 N C -0.205 174.959 175.510 -0.576 0.000 1.021 435 N CA 0.952 53.819 53.050 -0.305 0.000 0.887 435 N CB 0.297 38.547 38.487 -0.394 0.000 0.974 435 N HN 0.322 nan 8.380 nan 0.000 0.437 436 Y N -0.282 120.033 120.300 0.025 0.000 2.490 436 Y HA 0.319 4.869 4.550 -0.000 0.000 0.346 436 Y C -1.827 174.070 175.900 -0.006 0.000 1.023 436 Y CA -1.725 56.384 58.100 0.015 0.000 1.142 436 Y CB 1.335 39.807 38.460 0.019 0.000 1.126 436 Y HN -0.050 nan 8.280 nan 0.000 0.647 437 P HA -0.148 nan 4.420 nan 0.000 0.221 437 P C 0.802 178.122 177.300 0.034 0.000 1.145 437 P CA 1.384 64.504 63.100 0.035 0.000 0.795 437 P CB 0.598 32.302 31.700 0.007 0.000 0.775 438 E N -1.216 119.018 120.200 0.056 0.000 2.479 438 E HA 0.104 4.454 4.350 -0.000 0.000 0.193 438 E C 0.666 177.285 176.600 0.031 0.000 1.049 438 E CA 0.125 56.547 56.400 0.036 0.000 0.870 438 E CB 0.000 29.726 29.700 0.042 0.000 0.944 438 E HN 0.192 nan 8.360 nan 0.000 0.492 439 R N 0.557 121.086 120.500 0.050 0.000 2.604 439 R HA 0.284 4.624 4.340 -0.000 0.000 0.287 439 R C -0.149 176.126 176.300 -0.043 0.000 0.970 439 R CA -0.639 55.465 56.100 0.007 0.000 0.946 439 R CB 1.305 31.603 30.300 -0.002 0.000 1.127 439 R HN 0.115 nan 8.270 nan 0.000 0.473 440 Q N 1.797 121.548 119.800 -0.083 0.000 2.311 440 Q HA 0.170 4.510 4.340 -0.000 0.000 0.272 440 Q C -1.093 174.771 176.000 -0.226 0.000 1.012 440 Q CA 0.125 55.822 55.803 -0.177 0.000 0.891 440 Q CB 0.913 29.552 28.738 -0.166 0.000 1.201 440 Q HN 0.277 nan 8.270 nan 0.000 0.391 441 V N 5.555 125.283 119.914 -0.310 0.000 2.531 441 V HA 0.425 4.545 4.120 -0.000 0.000 0.301 441 V C -0.898 174.966 176.094 -0.383 0.000 1.034 441 V CA -0.610 61.547 62.300 -0.239 0.000 0.865 441 V CB 1.198 32.964 31.823 -0.095 0.000 0.995 441 V HN 0.632 nan 8.190 nan 0.000 0.424 442 F N 2.781 122.636 119.950 -0.158 0.000 2.458 442 F HA 0.524 5.051 4.527 -0.000 0.000 0.330 442 F C 0.425 176.251 175.800 0.045 0.000 1.082 442 F CA -0.532 57.446 58.000 -0.037 0.000 0.995 442 F CB 1.549 40.556 39.000 0.011 0.000 1.170 442 F HN 0.493 nan 8.300 nan 0.000 0.478 443 N N 3.555 122.407 118.700 0.253 0.000 2.476 443 N HA 0.387 5.127 4.740 -0.000 0.000 0.257 443 N C -1.761 173.902 175.510 0.254 0.000 0.970 443 N CA -0.309 52.862 53.050 0.202 0.000 0.938 443 N CB 0.520 39.071 38.487 0.107 0.000 1.144 443 N HN 0.573 nan 8.380 nan 0.000 0.500 444 L N 2.472 123.861 121.223 0.276 0.000 2.280 444 L HA 0.816 5.156 4.340 -0.000 0.000 0.287 444 L C -0.239 176.753 176.870 0.204 0.000 1.023 444 L CA -0.895 54.136 54.840 0.318 0.000 0.819 444 L CB 1.218 43.459 42.059 0.302 0.000 1.212 444 L HN 0.600 nan 8.230 nan 0.000 0.420 445 A N 2.332 125.295 122.820 0.238 0.000 2.455 445 A HA 0.788 5.108 4.320 -0.000 0.000 0.300 445 A C -0.035 177.650 177.584 0.170 0.000 1.040 445 A CA -0.357 51.750 52.037 0.117 0.000 0.697 445 A CB 1.555 20.572 19.000 0.029 0.000 1.265 445 A HN 0.693 nan 8.150 nan 0.000 0.407 446 G N 0.402 109.254 108.800 0.087 0.000 2.634 446 G HA2 0.379 4.339 3.960 -0.000 0.000 0.255 446 G HA3 0.379 4.339 3.960 -0.000 0.000 0.255 446 G C 0.439 175.385 174.900 0.076 0.000 1.205 446 G CA 0.401 45.575 45.100 0.123 0.000 0.884 446 G HN 0.833 nan 8.290 nan 0.000 0.549 447 D N -0.263 120.213 120.400 0.126 0.000 2.144 447 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 447 D C 2.213 178.648 176.300 0.226 0.000 0.978 447 D CA 1.345 55.434 54.000 0.148 0.000 0.833 447 D CB -0.940 40.042 40.800 0.303 0.000 0.961 447 D HN 0.470 nan 8.370 nan 0.000 0.470 448 G N 0.478 109.451 108.800 0.289 0.000 2.421 448 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 448 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 448 G C 1.722 176.761 174.900 0.231 0.000 1.171 448 G CA 1.023 46.327 45.100 0.339 0.000 0.775 448 G HN 0.494 nan 8.290 nan 0.000 0.543 449 G N 0.849 109.743 108.800 0.158 0.000 2.394 449 G HA2 0.139 4.099 3.960 -0.000 0.000 0.215 449 G HA3 0.139 4.099 3.960 -0.000 0.000 0.215 449 G C 2.061 176.988 174.900 0.045 0.000 1.165 449 G CA 1.394 46.538 45.100 0.074 0.000 0.784 449 G HN 0.631 nan 8.290 nan 0.000 0.535 450 A N 0.990 123.814 122.820 0.008 0.000 1.940 450 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 450 A C 2.676 180.360 177.584 0.167 0.000 1.176 450 A CA 2.275 54.282 52.037 -0.050 0.000 0.631 450 A CB -0.662 18.068 19.000 -0.450 0.000 0.814 450 A HN 0.298 nan 8.150 nan 0.000 0.446 451 S N -0.371 115.510 115.700 0.300 0.000 2.383 451 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 451 S C 1.960 176.628 174.600 0.112 0.000 1.030 451 S CA 1.855 60.229 58.200 0.290 0.000 1.002 451 S CB -0.420 62.873 63.200 0.155 0.000 0.829 451 S HN 0.606 nan 8.310 nan 0.000 0.467 452 M N 0.853 120.491 119.600 0.062 0.000 2.213 452 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 452 M C 1.578 177.838 176.300 -0.067 0.000 1.062 452 M CA 1.386 56.678 55.300 -0.014 0.000 1.105 452 M CB -0.508 32.074 32.600 -0.029 0.000 1.385 452 M HN 0.422 nan 8.290 nan 0.000 0.417 453 T N -3.362 111.174 114.554 -0.030 0.000 3.200 453 T HA 0.274 4.624 4.350 -0.000 0.000 0.284 453 T C 1.177 175.881 174.700 0.008 0.000 1.009 453 T CA -0.389 61.673 62.100 -0.062 0.000 0.907 453 T CB -0.387 68.435 68.868 -0.078 0.000 1.120 453 T HN 0.420 nan 8.240 nan 0.000 0.534 454 M N 1.282 120.924 119.600 0.071 0.000 2.144 454 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 454 M C 2.345 178.686 176.300 0.067 0.000 1.067 454 M CA 1.940 57.322 55.300 0.137 0.000 1.095 454 M CB -0.814 31.912 32.600 0.210 0.000 1.365 454 M HN 0.241 nan 8.290 nan 0.000 0.406 455 Q N 1.048 120.867 119.800 0.032 0.000 2.181 455 Q HA -0.221 4.119 4.340 -0.000 0.000 0.205 455 Q C 0.808 176.823 176.000 0.026 0.000 0.980 455 Q CA 2.139 57.955 55.803 0.023 0.000 0.862 455 Q CB -1.264 27.495 28.738 0.034 0.000 0.905 455 Q HN 0.680 nan 8.270 nan 0.000 0.429 456 D N 0.626 121.041 120.400 0.026 0.000 2.352 456 D HA 0.081 4.721 4.640 -0.000 0.000 0.232 456 D C 1.748 178.064 176.300 0.028 0.000 1.055 456 D CA 0.035 54.051 54.000 0.027 0.000 0.891 456 D CB 0.168 40.976 40.800 0.013 0.000 0.897 456 D HN 0.296 nan 8.370 nan 0.000 0.529 457 L N 0.839 122.080 121.223 0.031 0.000 2.127 457 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 457 L C 2.649 179.523 176.870 0.007 0.000 1.089 457 L CA 0.847 55.703 54.840 0.026 0.000 0.757 457 L CB -0.329 41.754 42.059 0.040 0.000 0.899 457 L HN 0.009 nan 8.230 nan 0.000 0.434 458 A N -0.406 122.415 122.820 0.001 0.000 1.972 458 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 458 A C 2.355 179.939 177.584 0.000 0.000 1.169 458 A CA 2.271 54.301 52.037 -0.013 0.000 0.635 458 A CB -0.803 18.191 19.000 -0.011 0.000 0.810 458 A HN 0.403 nan 8.150 nan 0.000 0.446 459 T N 0.129 114.711 114.554 0.048 0.000 2.821 459 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 459 T C 2.000 176.786 174.700 0.143 0.000 1.046 459 T CA 1.657 63.837 62.100 0.132 0.000 1.139 459 T CB -0.261 68.693 68.868 0.144 0.000 0.871 459 T HN 0.660 nan 8.240 nan 0.000 0.454 460 Q N 0.379 120.219 119.800 0.066 0.000 2.084 460 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 460 Q C 2.566 178.555 176.000 -0.018 0.000 0.978 460 Q CA 1.145 56.974 55.803 0.043 0.000 0.844 460 Q CB -0.440 28.309 28.738 0.019 0.000 0.898 460 Q HN 0.363 nan 8.270 nan 0.000 0.426 461 V N 0.863 120.737 119.914 -0.067 0.000 2.307 461 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 461 V C 2.306 178.191 176.094 -0.349 0.000 1.045 461 V CA 2.155 64.352 62.300 -0.172 0.000 1.024 461 V CB -0.671 31.090 31.823 -0.104 0.000 0.651 461 V HN 0.393 nan 8.190 nan 0.000 0.449 462 Q N -0.778 118.859 119.800 -0.271 0.000 2.124 462 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 462 Q C 1.715 177.361 176.000 -0.589 0.000 0.977 462 Q CA 2.042 57.579 55.803 -0.443 0.000 0.850 462 Q CB -0.074 28.383 28.738 -0.469 0.000 0.901 462 Q HN 0.773 nan 8.270 nan 0.000 0.429 463 Y N -0.912 119.331 120.300 -0.095 0.000 2.485 463 Y HA 0.170 4.720 4.550 -0.000 0.000 0.260 463 Y C -0.555 175.389 175.900 0.074 0.000 1.173 463 Y CA 0.066 58.167 58.100 0.001 0.000 1.252 463 Y CB 0.103 38.550 38.460 -0.022 0.000 1.123 463 Y HN 0.208 nan 8.280 nan 0.000 0.524 464 H N -0.475 118.623 119.070 0.047 0.000 2.604 464 H HA -0.165 4.391 4.556 -0.000 0.000 0.321 464 H C -0.897 174.459 175.328 0.046 0.000 1.132 464 H CA 0.318 56.388 56.048 0.037 0.000 1.129 464 H CB -1.903 27.873 29.762 0.024 0.000 1.526 464 H HN 0.279 nan 8.280 nan 0.000 0.415 465 L N 1.392 122.674 121.223 0.098 0.000 2.272 465 L HA 0.309 4.649 4.340 -0.000 0.000 0.284 465 L C -1.889 174.998 176.870 0.028 0.000 1.045 465 L CA -1.931 52.947 54.840 0.063 0.000 0.842 465 L CB 1.086 43.177 42.059 0.054 0.000 1.224 465 L HN -0.022 nan 8.230 nan 0.000 0.430 466 P HA 0.051 nan 4.420 nan 0.000 0.235 466 P C -0.143 177.116 177.300 -0.069 0.000 1.765 466 P CA 0.058 63.147 63.100 -0.018 0.000 1.034 466 P CB 0.038 31.722 31.700 -0.027 0.000 1.984 467 V N 3.061 122.940 119.914 -0.057 0.000 2.649 467 V HA 0.137 4.257 4.120 -0.000 0.000 0.292 467 V C 0.933 176.960 176.094 -0.113 0.000 1.055 467 V CA -0.288 61.959 62.300 -0.088 0.000 1.023 467 V CB 0.952 32.755 31.823 -0.035 0.000 0.992 467 V HN 0.261 nan 8.190 nan 0.000 0.480 468 I N 5.397 125.844 120.570 -0.206 0.000 2.281 468 I HA 0.245 4.415 4.170 -0.000 0.000 0.293 468 I C 0.286 176.400 176.117 -0.004 0.000 1.085 468 I CA -0.016 61.185 61.300 -0.165 0.000 1.257 468 I CB 0.035 37.817 38.000 -0.363 0.000 1.430 468 I HN 0.598 nan 8.210 nan 0.000 0.489 469 N N 6.408 125.115 118.700 0.012 0.000 2.434 469 N HA 0.348 5.088 4.740 -0.000 0.000 0.272 469 N C -0.809 174.725 175.510 0.041 0.000 1.040 469 N CA -0.264 52.813 53.050 0.046 0.000 0.956 469 N CB 2.635 41.131 38.487 0.015 0.000 1.108 469 N HN 0.190 nan 8.380 nan 0.000 0.481 470 V N 2.690 122.659 119.914 0.092 0.000 2.409 470 V HA 0.251 4.371 4.120 -0.000 0.000 0.290 470 V C 0.079 176.167 176.094 -0.010 0.000 1.017 470 V CA -0.844 61.468 62.300 0.021 0.000 0.841 470 V CB 1.691 33.590 31.823 0.127 0.000 1.003 470 V HN 0.286 nan 8.190 nan 0.000 0.426 471 V N 5.047 124.872 119.914 -0.149 0.000 2.407 471 V HA 0.456 4.576 4.120 -0.000 0.000 0.278 471 V C -0.428 175.547 176.094 -0.197 0.000 1.037 471 V CA -0.350 61.853 62.300 -0.161 0.000 0.900 471 V CB 1.306 32.882 31.823 -0.413 0.000 0.983 471 V HN 0.671 nan 8.190 nan 0.000 0.459 472 F N 2.291 122.206 119.950 -0.057 0.000 2.334 472 F HA 0.327 4.854 4.527 0.000 0.000 0.365 472 F C 1.029 176.822 175.800 -0.013 0.000 1.124 472 F CA -0.283 57.703 58.000 -0.024 0.000 1.166 472 F CB 0.841 39.828 39.000 -0.023 0.000 1.355 472 F HN 0.357 nan 8.300 nan 0.000 0.532 473 T N 3.138 117.744 114.554 0.087 0.000 2.875 473 T HA 0.086 4.436 4.350 -0.000 0.000 0.307 473 T C 0.987 175.721 174.700 0.057 0.000 1.013 473 T CA -0.473 61.688 62.100 0.101 0.000 0.970 473 T CB -0.087 68.851 68.868 0.117 0.000 0.986 473 T HN 0.502 nan 8.240 nan 0.000 0.536 474 N N 0.385 119.104 118.700 0.033 0.000 2.236 474 N HA 0.034 4.774 4.740 -0.000 0.000 0.196 474 N C 0.530 175.939 175.510 -0.168 0.000 1.114 474 N CA -0.471 52.547 53.050 -0.052 0.000 0.859 474 N CB -0.601 37.857 38.487 -0.049 0.000 0.982 474 N HN 0.551 nan 8.380 nan 0.000 0.493 475 C N 0.520 119.710 119.300 -0.183 0.000 4.356 475 C HA -0.165 4.295 4.460 -0.000 0.000 0.296 475 C C -0.275 174.018 174.990 -1.162 0.000 1.424 475 C CA 0.484 59.231 59.018 -0.452 0.000 2.000 475 C CB -2.949 24.651 27.740 -0.234 0.000 1.262 475 C HN 0.614 nan 8.230 nan 0.000 0.789 476 Q N -2.548 116.601 119.800 -1.085 0.000 2.511 476 Q HA 0.504 4.844 4.340 -0.000 0.000 0.289 476 Q C -1.091 174.606 176.000 -0.505 0.000 1.021 476 Q CA -0.778 54.441 55.803 -0.974 0.000 0.785 476 Q CB 1.319 29.805 28.738 -0.419 0.000 1.472 476 Q HN 0.310 nan 8.270 nan 0.000 0.411 477 Y N 0.885 121.180 120.300 -0.010 0.000 2.714 477 Y HA 0.211 4.761 4.550 -0.000 0.000 0.333 477 Y C 1.294 177.247 175.900 0.088 0.000 1.220 477 Y CA -0.234 57.976 58.100 0.183 0.000 1.513 477 Y CB 0.159 38.769 38.460 0.249 0.000 1.435 477 Y HN 0.954 nan 8.280 nan 0.000 0.489 478 G N 2.224 111.134 108.800 0.184 0.000 2.440 478 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 478 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 478 G C 1.627 176.645 174.900 0.196 0.000 1.154 478 G CA 0.206 45.374 45.100 0.113 0.000 0.767 478 G HN 0.771 nan 8.290 nan 0.000 0.552 479 W N 0.809 122.146 121.300 0.063 0.000 2.325 479 W HA -0.165 4.495 4.660 -0.000 0.000 0.299 479 W C 1.953 178.510 176.519 0.064 0.000 1.215 479 W CA 1.100 58.475 57.345 0.051 0.000 1.244 479 W CB 0.049 29.536 29.460 0.045 0.000 1.140 479 W HN 0.142 nan 8.180 nan 0.000 0.523 480 I N 0.365 121.087 120.570 0.252 0.000 2.480 480 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 480 I C 2.227 178.420 176.117 0.126 0.000 1.124 480 I CA 1.181 62.576 61.300 0.158 0.000 1.444 480 I CB -1.566 36.546 38.000 0.187 0.000 1.098 480 I HN -0.037 nan 8.210 nan 0.000 0.428 481 K N 1.429 121.893 120.400 0.107 0.000 2.044 481 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 481 K C 1.582 178.249 176.600 0.113 0.000 1.049 481 K CA 2.011 58.311 56.287 0.022 0.000 0.927 481 K CB 0.054 32.420 32.500 -0.224 0.000 0.713 481 K HN 0.195 nan 8.250 nan 0.000 0.443 482 D N 0.622 121.040 120.400 0.030 0.000 2.144 482 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 482 D C 1.743 178.041 176.300 -0.003 0.000 0.984 482 D CA 1.179 55.187 54.000 0.013 0.000 0.834 482 D CB -0.105 40.644 40.800 -0.085 0.000 0.955 482 D HN 0.428 nan 8.370 nan 0.000 0.465 483 E N 0.671 120.838 120.200 -0.055 0.000 2.051 483 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 483 E C 2.184 178.804 176.600 0.035 0.000 0.991 483 E CA 0.763 57.133 56.400 -0.049 0.000 0.799 483 E CB -0.097 29.564 29.700 -0.065 0.000 0.748 483 E HN 0.372 nan 8.360 nan 0.000 0.449 484 Q N 0.568 120.439 119.800 0.118 0.000 2.124 484 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 484 Q C 2.196 178.239 176.000 0.071 0.000 0.977 484 Q CA 1.196 57.075 55.803 0.127 0.000 0.850 484 Q CB -0.107 28.784 28.738 0.255 0.000 0.901 484 Q HN 0.330 nan 8.270 nan 0.000 0.429 485 E N 0.864 121.198 120.200 0.223 0.000 2.085 485 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 485 E C 1.001 177.616 176.600 0.026 0.000 0.994 485 E CA 1.523 58.001 56.400 0.129 0.000 0.801 485 E CB 0.155 30.021 29.700 0.278 0.000 0.743 485 E HN 0.303 nan 8.360 nan 0.000 0.453 486 D N -0.905 119.511 120.400 0.027 0.000 2.194 486 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 486 D C 1.914 178.204 176.300 -0.016 0.000 0.964 486 D CA 1.816 55.816 54.000 -0.001 0.000 0.846 486 D CB 0.060 40.849 40.800 -0.019 0.000 0.962 486 D HN 0.398 nan 8.370 nan 0.000 0.490 487 T N -3.137 111.405 114.554 -0.019 0.000 2.987 487 T HA 0.108 4.458 4.350 -0.000 0.000 0.248 487 T C 0.736 175.416 174.700 -0.034 0.000 0.997 487 T CA -0.413 61.674 62.100 -0.022 0.000 1.013 487 T CB 0.174 69.034 68.868 -0.014 0.000 1.077 487 T HN -0.216 nan 8.240 nan 0.000 0.483 488 N N 2.126 120.796 118.700 -0.050 0.000 2.529 488 N HA 0.356 5.096 4.740 -0.000 0.000 0.278 488 N C 0.902 176.357 175.510 -0.091 0.000 1.146 488 N CA -0.447 52.564 53.050 -0.064 0.000 0.980 488 N CB 1.161 39.605 38.487 -0.070 0.000 1.124 488 N HN 0.142 nan 8.380 nan 0.000 0.458 489 Q N 0.392 120.149 119.800 -0.072 0.000 2.212 489 Q HA 0.144 4.484 4.340 -0.000 0.000 0.199 489 Q C -0.105 175.839 176.000 -0.092 0.000 0.950 489 Q CA 0.999 56.758 55.803 -0.073 0.000 0.863 489 Q CB 0.036 28.745 28.738 -0.048 0.000 0.944 489 Q HN 0.547 nan 8.270 nan 0.000 0.465 490 N N 1.291 119.938 118.700 -0.088 0.000 2.448 490 N HA 0.088 4.828 4.740 -0.000 0.000 0.274 490 N C -0.335 175.089 175.510 -0.142 0.000 1.239 490 N CA -0.397 52.601 53.050 -0.087 0.000 0.982 490 N CB 0.399 38.859 38.487 -0.046 0.000 1.199 490 N HN -0.052 nan 8.380 nan 0.000 0.576 491 D N 0.179 120.514 120.400 -0.109 0.000 2.419 491 D HA 0.055 4.695 4.640 -0.000 0.000 0.236 491 D C 0.180 176.421 176.300 -0.098 0.000 1.165 491 D CA 0.329 54.250 54.000 -0.131 0.000 0.882 491 D CB 0.141 40.929 40.800 -0.020 0.000 1.201 491 D HN 0.175 nan 8.370 nan 0.000 0.443 492 F N 0.763 120.723 119.950 0.017 0.000 2.642 492 F HA 0.046 4.573 4.527 -0.000 0.000 0.371 492 F C 0.998 176.820 175.800 0.037 0.000 1.120 492 F CA 0.467 58.482 58.000 0.026 0.000 1.331 492 F CB -0.048 38.965 39.000 0.020 0.000 1.044 492 F HN 0.121 nan 8.300 nan 0.000 0.594 493 I N 1.374 122.104 120.570 0.266 0.000 2.610 493 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 493 I C 0.278 176.509 176.117 0.190 0.000 1.163 493 I CA -0.114 61.293 61.300 0.179 0.000 1.044 493 I CB 1.628 39.700 38.000 0.119 0.000 1.251 493 I HN 0.686 nan 8.210 nan 0.000 0.424 494 G N 4.396 113.311 108.800 0.190 0.000 2.148 494 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.254 494 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.254 494 G C 0.400 175.518 174.900 0.362 0.000 0.981 494 G CA 0.646 45.895 45.100 0.248 0.000 0.670 494 G HN 1.399 nan 8.290 nan 0.000 0.528 495 V N -3.800 116.266 119.914 0.253 0.000 3.556 495 V HA 0.530 4.650 4.120 -0.000 0.000 0.287 495 V C 0.429 176.465 176.094 -0.096 0.000 1.422 495 V CA 0.731 63.160 62.300 0.215 0.000 1.038 495 V CB 0.395 32.307 31.823 0.149 0.000 0.850 495 V HN 0.345 nan 8.190 nan 0.000 0.437 496 E N 1.487 121.613 120.200 -0.124 0.000 2.199 496 E HA 0.661 5.011 4.350 -0.000 0.000 0.265 496 E C -1.310 175.183 176.600 -0.177 0.000 0.882 496 E CA -0.568 55.637 56.400 -0.325 0.000 0.759 496 E CB 2.299 31.867 29.700 -0.220 0.000 1.148 496 E HN 0.506 nan 8.360 nan 0.000 0.412 497 F N -0.522 119.360 119.950 -0.112 0.000 2.824 497 F HA 0.509 5.036 4.527 -0.000 0.000 0.330 497 F C -0.406 175.350 175.800 -0.072 0.000 1.175 497 F CA -1.703 56.242 58.000 -0.092 0.000 0.974 497 F CB 0.354 39.270 39.000 -0.140 0.000 1.430 497 F HN 0.100 nan 8.300 nan 0.000 0.507 498 N N 0.590 119.481 118.700 0.319 0.000 2.508 498 N HA 0.144 4.884 4.740 -0.000 0.000 0.264 498 N C -1.213 174.434 175.510 0.228 0.000 1.216 498 N CA 0.022 53.179 53.050 0.179 0.000 0.943 498 N CB 0.303 38.849 38.487 0.098 0.000 1.113 498 N HN 0.774 nan 8.380 nan 0.000 0.447 499 D N 1.081 121.553 120.400 0.120 0.000 2.488 499 D HA 0.061 4.701 4.640 -0.000 0.000 0.238 499 D C -0.617 175.721 176.300 0.062 0.000 1.138 499 D CA 0.487 54.549 54.000 0.103 0.000 0.873 499 D CB 0.337 41.168 40.800 0.050 0.000 1.183 499 D HN 0.295 nan 8.370 nan 0.000 0.458 500 I N 2.922 123.532 120.570 0.067 0.000 2.406 500 I HA 0.150 4.320 4.170 -0.000 0.000 0.290 500 I C -0.319 175.769 176.117 -0.049 0.000 0.999 500 I CA -0.884 60.367 61.300 -0.081 0.000 1.124 500 I CB 1.782 39.626 38.000 -0.259 0.000 1.289 500 I HN 0.377 nan 8.210 nan 0.000 0.441 501 D N 6.036 126.378 120.400 -0.097 0.000 2.422 501 D HA 0.125 4.765 4.640 -0.000 0.000 0.227 501 D C 0.632 176.881 176.300 -0.086 0.000 1.190 501 D CA -0.008 53.974 54.000 -0.030 0.000 0.905 501 D CB 0.489 41.271 40.800 -0.029 0.000 1.034 501 D HN 0.304 nan 8.370 nan 0.000 0.507 502 F N 1.477 121.423 119.950 -0.008 0.000 2.451 502 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 502 F C 2.688 178.470 175.800 -0.030 0.000 1.101 502 F CA 0.838 58.829 58.000 -0.015 0.000 1.436 502 F CB 0.024 39.023 39.000 -0.002 0.000 1.074 502 F HN 0.389 nan 8.300 nan 0.000 0.553 503 S N -0.050 115.716 115.700 0.110 0.000 2.402 503 S HA -0.181 4.289 4.470 -0.000 0.000 0.229 503 S C 1.893 176.475 174.600 -0.029 0.000 1.021 503 S CA 0.922 59.137 58.200 0.024 0.000 0.974 503 S CB -0.370 62.832 63.200 0.003 0.000 0.800 503 S HN 0.389 nan 8.310 nan 0.000 0.484 504 K N 0.555 120.929 120.400 -0.043 0.000 2.062 504 K HA 0.115 4.435 4.320 -0.000 0.000 0.205 504 K C 2.021 178.562 176.600 -0.097 0.000 1.051 504 K CA 1.014 57.258 56.287 -0.072 0.000 0.941 504 K CB -0.309 32.146 32.500 -0.075 0.000 0.719 504 K HN 0.301 nan 8.250 nan 0.000 0.440 505 I N 1.780 122.274 120.570 -0.127 0.000 2.151 505 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 505 I C 2.552 178.621 176.117 -0.081 0.000 1.080 505 I CA 1.522 62.736 61.300 -0.142 0.000 1.339 505 I CB -1.537 36.316 38.000 -0.245 0.000 1.039 505 I HN 0.110 nan 8.210 nan 0.000 0.409 506 A N 0.553 123.358 122.820 -0.025 0.000 1.883 506 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 506 A C 2.167 179.702 177.584 -0.082 0.000 1.186 506 A CA 2.269 54.289 52.037 -0.028 0.000 0.624 506 A CB -0.907 18.094 19.000 0.002 0.000 0.822 506 A HN 0.441 nan 8.150 nan 0.000 0.444 507 D N -0.426 119.923 120.400 -0.085 0.000 2.133 507 D HA -0.106 4.534 4.640 -0.000 0.000 0.195 507 D C 2.007 178.214 176.300 -0.155 0.000 0.997 507 D CA 1.805 55.753 54.000 -0.087 0.000 0.840 507 D CB -0.674 40.084 40.800 -0.070 0.000 0.947 507 D HN 0.320 nan 8.370 nan 0.000 0.452 508 G N 0.057 108.749 108.800 -0.181 0.000 2.450 508 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 508 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 508 G C 1.590 176.198 174.900 -0.486 0.000 1.130 508 G CA 1.465 46.405 45.100 -0.266 0.000 0.760 508 G HN 0.438 nan 8.290 nan 0.000 0.557 509 V N -3.457 116.237 119.914 -0.367 0.000 3.649 509 V HA 0.257 4.377 4.120 -0.000 0.000 0.275 509 V C 0.833 176.723 176.094 -0.339 0.000 1.281 509 V CA 0.317 62.404 62.300 -0.354 0.000 1.143 509 V CB -1.065 30.674 31.823 -0.140 0.000 0.892 509 V HN 0.543 nan 8.190 nan 0.000 0.441 510 H N -1.230 117.812 119.070 -0.045 0.000 2.933 510 H HA -0.136 4.420 4.556 -0.000 0.000 0.301 510 H C -0.119 175.175 175.328 -0.056 0.000 1.280 510 H CA 1.176 57.193 56.048 -0.052 0.000 1.155 510 H CB -1.697 28.033 29.762 -0.053 0.000 1.379 510 H HN 0.696 nan 8.280 nan 0.000 0.419 511 M N 0.968 120.565 119.600 -0.004 0.000 2.311 511 M HA 0.267 4.747 4.480 -0.000 0.000 0.325 511 M C 0.080 176.352 176.300 -0.046 0.000 1.061 511 M CA -0.532 54.758 55.300 -0.018 0.000 0.957 511 M CB 1.414 34.000 32.600 -0.023 0.000 1.646 511 M HN 0.160 nan 8.290 nan 0.000 0.434 512 Q N 2.426 122.192 119.800 -0.056 0.000 2.361 512 Q HA 0.475 4.815 4.340 -0.000 0.000 0.276 512 Q C -0.810 175.078 176.000 -0.186 0.000 1.022 512 Q CA 0.232 55.953 55.803 -0.135 0.000 0.898 512 Q CB 0.843 29.520 28.738 -0.102 0.000 1.246 512 Q HN 0.741 nan 8.270 nan 0.000 0.410 513 A N 2.252 124.840 122.820 -0.387 0.000 2.610 513 A HA 0.798 5.118 4.320 -0.000 0.000 0.291 513 A C -1.786 175.394 177.584 -0.673 0.000 1.086 513 A CA -0.681 51.157 52.037 -0.330 0.000 0.677 513 A CB 1.193 20.121 19.000 -0.121 0.000 1.278 513 A HN 0.559 nan 8.150 nan 0.000 0.414 514 F N -0.452 119.469 119.950 -0.049 0.000 2.599 514 F HA 0.812 5.339 4.527 -0.000 0.000 0.311 514 F C 0.084 175.861 175.800 -0.039 0.000 1.076 514 F CA -0.504 57.468 58.000 -0.047 0.000 0.937 514 F CB 2.468 41.424 39.000 -0.074 0.000 1.282 514 F HN 0.670 nan 8.300 nan 0.000 0.460 515 R N 1.589 122.185 120.500 0.160 0.000 2.561 515 R HA 0.845 5.185 4.340 -0.000 0.000 0.297 515 R C -2.001 174.350 176.300 0.085 0.000 0.969 515 R CA -0.693 55.463 56.100 0.093 0.000 0.879 515 R CB 1.799 32.135 30.300 0.061 0.000 1.178 515 R HN 0.619 nan 8.270 nan 0.000 0.445 516 V N 2.272 122.218 119.914 0.054 0.000 2.823 516 V HA 0.628 4.748 4.120 -0.000 0.000 0.312 516 V C -0.622 175.483 176.094 0.018 0.000 1.072 516 V CA -0.733 61.592 62.300 0.041 0.000 0.937 516 V CB 2.192 34.042 31.823 0.045 0.000 1.013 516 V HN 1.010 nan 8.190 nan 0.000 0.430 517 N N 0.609 119.317 118.700 0.013 0.000 2.167 517 N HA 0.251 4.991 4.740 -0.000 0.000 0.234 517 N C -0.371 175.136 175.510 -0.006 0.000 1.312 517 N CA -0.498 52.552 53.050 -0.000 0.000 0.861 517 N CB 0.595 39.083 38.487 0.002 0.000 1.217 517 N HN 0.805 nan 8.380 nan 0.000 0.504 518 K N 0.261 120.659 120.400 -0.003 0.000 2.422 518 K HA 0.468 4.788 4.320 -0.000 0.000 0.251 518 K C 0.689 177.281 176.600 -0.012 0.000 0.933 518 K CA -0.749 55.533 56.287 -0.008 0.000 0.798 518 K CB 2.565 35.063 32.500 -0.004 0.000 1.238 518 K HN -0.204 nan 8.250 nan 0.000 0.428 519 I N 1.927 122.484 120.570 -0.022 0.000 2.208 519 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 519 I C 2.308 178.407 176.117 -0.030 0.000 1.097 519 I CA 1.470 62.750 61.300 -0.033 0.000 1.363 519 I CB -0.131 37.847 38.000 -0.037 0.000 1.051 519 I HN 0.720 nan 8.210 nan 0.000 0.413 520 E N 1.228 121.416 120.200 -0.020 0.000 2.338 520 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 520 E C 1.666 178.261 176.600 -0.008 0.000 1.007 520 E CA 1.026 57.416 56.400 -0.016 0.000 0.849 520 E CB -0.438 29.256 29.700 -0.012 0.000 0.774 520 E HN 0.637 nan 8.360 nan 0.000 0.506 521 Q N 0.385 120.185 119.800 -0.000 0.000 2.378 521 Q HA 0.109 4.449 4.340 -0.000 0.000 0.205 521 Q C 2.327 178.341 176.000 0.023 0.000 0.954 521 Q CA 0.373 56.183 55.803 0.011 0.000 0.901 521 Q CB -0.005 28.745 28.738 0.020 0.000 0.981 521 Q HN 0.307 nan 8.270 nan 0.000 0.483 522 L N 0.513 121.752 121.223 0.026 0.000 2.027 522 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 522 L C -0.677 176.249 176.870 0.093 0.000 1.074 522 L CA 1.137 56.026 54.840 0.081 0.000 0.745 522 L CB -1.546 40.478 42.059 -0.059 0.000 0.898 522 L HN 0.128 nan 8.230 nan 0.000 0.433 523 P HA -0.193 nan 4.420 nan 0.000 0.215 523 P C 0.997 178.314 177.300 0.029 0.000 1.157 523 P CA 1.605 64.711 63.100 0.010 0.000 0.868 523 P CB 0.046 31.737 31.700 -0.015 0.000 0.788 524 D N -1.268 119.132 120.400 -0.000 0.000 2.149 524 D HA -0.105 4.534 4.640 -0.000 0.000 0.201 524 D C 1.816 178.045 176.300 -0.119 0.000 0.972 524 D CA 0.658 54.636 54.000 -0.035 0.000 0.835 524 D CB -0.449 40.334 40.800 -0.030 0.000 0.966 524 D HN -0.177 nan 8.370 nan 0.000 0.476 525 V N -0.089 119.731 119.914 -0.157 0.000 2.295 525 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 525 V C 1.989 177.806 176.094 -0.461 0.000 1.049 525 V CA 1.357 63.376 62.300 -0.468 0.000 1.024 525 V CB -0.590 31.009 31.823 -0.373 0.000 0.648 525 V HN 0.222 nan 8.190 nan 0.000 0.447 526 F N 0.103 119.907 119.950 -0.243 0.000 2.186 526 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 526 F C 2.524 178.260 175.800 -0.106 0.000 1.090 526 F CA 1.355 59.272 58.000 -0.139 0.000 1.307 526 F CB -0.302 38.661 39.000 -0.061 0.000 1.019 526 F HN 0.134 nan 8.300 nan 0.000 0.489 527 E N 0.198 120.426 120.200 0.048 0.000 2.077 527 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 527 E C 2.183 178.759 176.600 -0.040 0.000 0.989 527 E CA 1.118 57.525 56.400 0.012 0.000 0.800 527 E CB -0.557 29.148 29.700 0.008 0.000 0.746 527 E HN 0.538 nan 8.360 nan 0.000 0.452 528 Q N 0.153 119.879 119.800 -0.123 0.000 2.050 528 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 528 Q C 2.202 178.161 176.000 -0.068 0.000 0.980 528 Q CA 1.515 57.257 55.803 -0.102 0.000 0.840 528 Q CB -0.222 28.401 28.738 -0.192 0.000 0.898 528 Q HN 0.237 nan 8.270 nan 0.000 0.424 529 A N 1.640 124.344 122.820 -0.193 0.000 1.908 529 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 529 A C 2.023 179.574 177.584 -0.055 0.000 1.181 529 A CA 1.817 53.793 52.037 -0.102 0.000 0.627 529 A CB -0.554 18.290 19.000 -0.261 0.000 0.818 529 A HN 0.263 nan 8.150 nan 0.000 0.445 530 K N -0.398 119.981 120.400 -0.036 0.000 2.074 530 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 530 K C 2.121 178.705 176.600 -0.027 0.000 1.048 530 K CA 1.449 57.728 56.287 -0.014 0.000 0.926 530 K CB -0.331 32.192 32.500 0.039 0.000 0.713 530 K HN 0.396 nan 8.250 nan 0.000 0.444 531 A N 1.171 123.987 122.820 -0.006 0.000 1.872 531 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 531 A C 2.087 179.682 177.584 0.019 0.000 1.187 531 A CA 1.264 53.305 52.037 0.007 0.000 0.614 531 A CB -0.515 18.502 19.000 0.028 0.000 0.826 531 A HN 0.331 nan 8.150 nan 0.000 0.442 532 I N 0.125 120.722 120.570 0.044 0.000 2.194 532 I HA -0.310 3.860 4.170 -0.000 0.000 0.246 532 I C 2.615 178.749 176.117 0.028 0.000 1.093 532 I CA 1.259 62.600 61.300 0.068 0.000 1.355 532 I CB -0.206 37.855 38.000 0.102 0.000 1.046 532 I HN 0.340 nan 8.210 nan 0.000 0.413 533 A N -0.197 122.608 122.820 -0.026 0.000 2.235 533 A HA -0.079 4.241 4.320 -0.000 0.000 0.208 533 A C 1.980 179.490 177.584 -0.124 0.000 1.172 533 A CA 0.505 52.498 52.037 -0.074 0.000 0.786 533 A CB -0.267 18.657 19.000 -0.126 0.000 0.804 533 A HN 0.380 nan 8.150 nan 0.000 0.479 534 Q N -0.729 118.971 119.800 -0.166 0.000 2.297 534 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 534 Q C 0.638 176.285 176.000 -0.588 0.000 0.962 534 Q CA 1.661 57.244 55.803 -0.368 0.000 0.879 534 Q CB -0.191 28.286 28.738 -0.436 0.000 0.947 534 Q HN 0.969 nan 8.270 nan 0.000 0.462 535 H N -1.768 117.304 119.070 0.005 0.000 3.583 535 H HA 0.262 4.818 4.556 -0.000 0.000 0.251 535 H C -0.087 175.265 175.328 0.041 0.000 1.060 535 H CA -0.121 55.937 56.048 0.017 0.000 1.159 535 H CB 1.208 30.979 29.762 0.015 0.000 1.496 535 H HN -0.094 nan 8.280 nan 0.000 0.540 536 E N 0.717 120.992 120.200 0.126 0.000 2.413 536 E HA 0.258 4.608 4.350 -0.000 0.000 0.277 536 E C -2.789 173.835 176.600 0.040 0.000 0.958 536 E CA -2.226 54.236 56.400 0.102 0.000 0.779 536 E CB 2.396 32.162 29.700 0.109 0.000 1.278 536 E HN -0.065 nan 8.360 nan 0.000 0.456 537 P HA 0.174 nan 4.420 nan 0.000 0.272 537 P C -0.464 176.837 177.300 0.002 0.000 1.230 537 P CA -0.242 62.856 63.100 -0.003 0.000 0.788 537 P CB 1.018 32.714 31.700 -0.006 0.000 0.949 538 V N 2.399 122.310 119.914 -0.004 0.000 3.087 538 V HA 0.590 4.710 4.120 -0.000 0.000 0.306 538 V C -1.459 174.642 176.094 0.012 0.000 1.187 538 V CA -1.093 61.219 62.300 0.019 0.000 0.999 538 V CB 2.274 34.131 31.823 0.057 0.000 1.049 538 V HN 0.459 nan 8.190 nan 0.000 0.431 539 L N 5.432 126.673 121.223 0.030 0.000 2.385 539 L HA 0.713 5.053 4.340 -0.000 0.000 0.273 539 L C -1.276 175.623 176.870 0.050 0.000 0.990 539 L CA -0.402 54.452 54.840 0.024 0.000 0.821 539 L CB 1.781 43.861 42.059 0.035 0.000 1.279 539 L HN 0.671 nan 8.230 nan 0.000 0.412 540 I N 3.774 124.330 120.570 -0.023 0.000 2.389 540 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 540 I C -1.013 175.070 176.117 -0.058 0.000 0.999 540 I CA -0.491 60.777 61.300 -0.054 0.000 1.129 540 I CB 1.671 39.490 38.000 -0.303 0.000 1.288 540 I HN 0.510 nan 8.210 nan 0.000 0.444 541 D N 6.431 126.833 120.400 0.004 0.000 2.396 541 D HA 0.433 5.073 4.640 -0.000 0.000 0.225 541 D C -0.373 175.910 176.300 -0.029 0.000 1.121 541 D CA -0.164 53.839 54.000 0.005 0.000 0.853 541 D CB 1.368 42.232 40.800 0.106 0.000 1.043 541 D HN 0.574 nan 8.370 nan 0.000 0.500 542 A N 4.120 126.868 122.820 -0.120 0.000 2.260 542 A HA 0.441 4.761 4.320 -0.000 0.000 0.312 542 A C -0.204 177.330 177.584 -0.083 0.000 1.321 542 A CA -0.696 51.263 52.037 -0.130 0.000 0.928 542 A CB 0.617 19.449 19.000 -0.280 0.000 1.158 542 A HN 0.401 nan 8.150 nan 0.000 0.542 543 V N 5.477 125.373 119.914 -0.030 0.000 2.405 543 V HA 0.246 4.366 4.120 -0.000 0.000 0.264 543 V C 0.378 176.458 176.094 -0.023 0.000 1.048 543 V CA 0.251 62.545 62.300 -0.009 0.000 0.966 543 V CB -0.474 31.352 31.823 0.005 0.000 1.015 543 V HN 0.737 nan 8.190 nan 0.000 0.477 544 I N 2.214 122.773 120.570 -0.018 0.000 2.863 544 I HA 0.779 4.949 4.170 -0.000 0.000 0.311 544 I C 0.726 176.820 176.117 -0.038 0.000 1.026 544 I CA -0.623 60.660 61.300 -0.028 0.000 1.077 544 I CB 2.031 40.032 38.000 0.002 0.000 1.262 544 I HN 0.559 nan 8.210 nan 0.000 0.461 545 T N 0.114 114.635 114.554 -0.055 0.000 2.701 545 T HA 0.290 4.640 4.350 -0.000 0.000 0.303 545 T C 0.947 175.611 174.700 -0.060 0.000 1.030 545 T CA -0.103 61.965 62.100 -0.054 0.000 1.010 545 T CB 0.849 69.687 68.868 -0.049 0.000 1.007 545 T HN 0.944 nan 8.240 nan 0.000 0.532 546 G N 0.008 108.770 108.800 -0.062 0.000 3.448 546 G HA2 0.186 4.146 3.960 -0.000 0.000 0.261 546 G HA3 0.186 4.146 3.960 -0.000 0.000 0.261 546 G C -0.047 174.826 174.900 -0.045 0.000 1.173 546 G CA -0.497 44.560 45.100 -0.072 0.000 0.835 546 G HN 0.751 nan 8.290 nan 0.000 0.534 547 D N 0.772 121.157 120.400 -0.026 0.000 2.458 547 D HA 0.036 4.676 4.640 -0.000 0.000 0.243 547 D C 0.582 176.925 176.300 0.072 0.000 1.146 547 D CA 0.266 54.280 54.000 0.023 0.000 0.877 547 D CB 1.388 42.223 40.800 0.059 0.000 1.176 547 D HN 0.182 nan 8.370 nan 0.000 0.461 548 R N 3.320 123.897 120.500 0.127 0.000 2.347 548 R HA 0.186 4.526 4.340 -0.000 0.000 0.304 548 R C -2.270 174.234 176.300 0.340 0.000 1.072 548 R CA -1.197 55.027 56.100 0.208 0.000 0.980 548 R CB 0.568 31.013 30.300 0.241 0.000 0.986 548 R HN 0.173 nan 8.270 nan 0.000 0.448 549 P HA -0.039 nan 4.420 nan 0.000 0.271 549 P C -0.337 176.970 177.300 0.011 0.000 1.218 549 P CA -0.253 63.014 63.100 0.279 0.000 0.780 549 P CB 0.559 32.424 31.700 0.275 0.000 0.901 550 L N 4.662 125.816 121.223 -0.115 0.000 2.667 550 L HA 0.047 4.387 4.340 -0.000 0.000 0.278 550 L C -1.878 174.799 176.870 -0.322 0.000 1.217 550 L CA -0.994 53.483 54.840 -0.605 0.000 0.935 550 L CB -0.258 41.679 42.059 -0.204 0.000 1.193 550 L HN 0.274 nan 8.230 nan 0.000 0.493 551 P HA 0.109 nan 4.420 nan 0.000 0.280 551 P C -0.015 177.240 177.300 -0.075 0.000 1.386 551 P CA -0.298 62.702 63.100 -0.166 0.000 0.899 551 P CB 1.420 33.044 31.700 -0.126 0.000 1.098 552 A N 4.345 127.113 122.820 -0.086 0.000 2.125 552 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 552 A C 1.753 179.250 177.584 -0.145 0.000 1.156 552 A CA 1.137 53.092 52.037 -0.136 0.000 0.671 552 A CB -0.613 18.267 19.000 -0.201 0.000 0.794 552 A HN 0.550 nan 8.150 nan 0.000 0.459 553 E N -0.101 120.025 120.200 -0.123 0.000 2.479 553 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 553 E C 0.047 176.588 176.600 -0.097 0.000 1.049 553 E CA 0.406 56.734 56.400 -0.121 0.000 0.870 553 E CB 0.012 29.632 29.700 -0.133 0.000 0.944 553 E HN 0.441 nan 8.360 nan 0.000 0.492 554 K N 1.370 121.727 120.400 -0.071 0.000 3.253 554 K HA 0.333 4.653 4.320 -0.000 0.000 0.174 554 K C -0.469 176.087 176.600 -0.073 0.000 1.071 554 K CA -0.277 55.983 56.287 -0.045 0.000 0.836 554 K CB 0.817 33.328 32.500 0.018 0.000 0.922 554 K HN 0.048 nan 8.250 nan 0.000 0.565 555 L N 1.763 122.861 121.223 -0.208 0.000 2.416 555 L HA 0.210 4.550 4.340 -0.000 0.000 0.272 555 L C 0.587 177.042 176.870 -0.693 0.000 1.161 555 L CA -0.037 54.499 54.840 -0.507 0.000 0.845 555 L CB 0.268 42.117 42.059 -0.350 0.000 1.119 555 L HN 0.011 nan 8.230 nan 0.000 0.464 556 R N 5.746 125.429 120.500 -1.362 0.000 2.494 556 R HA 0.361 4.701 4.340 -0.000 0.000 0.284 556 R C -0.123 175.790 176.300 -0.645 0.000 1.525 556 R CA -0.080 55.565 56.100 -0.758 0.000 1.460 556 R CB 0.639 30.689 30.300 -0.416 0.000 1.134 556 R HN 0.711 nan 8.270 nan 0.000 0.592 557 L N -0.893 120.077 121.223 -0.422 0.000 3.284 557 L HA 0.265 4.605 4.340 -0.000 0.000 0.294 557 L C 0.127 176.903 176.870 -0.157 0.000 1.183 557 L CA -0.008 54.689 54.840 -0.238 0.000 1.056 557 L CB 0.801 42.735 42.059 -0.207 0.000 1.513 557 L HN 0.148 nan 8.230 nan 0.000 0.601 558 D N 0.340 120.644 120.400 -0.160 0.000 2.392 558 D HA 0.138 4.778 4.640 -0.000 0.000 0.228 558 D C 1.092 177.335 176.300 -0.096 0.000 1.074 558 D CA 0.045 53.974 54.000 -0.118 0.000 0.838 558 D CB 1.729 42.461 40.800 -0.114 0.000 1.067 558 D HN 0.057 nan 8.370 nan 0.000 0.511 559 S N 2.338 117.991 115.700 -0.078 0.000 2.507 559 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 559 S C 1.696 176.264 174.600 -0.054 0.000 0.988 559 S CA 0.532 58.696 58.200 -0.061 0.000 0.944 559 S CB 0.057 63.226 63.200 -0.051 0.000 0.762 559 S HN 0.419 nan 8.310 nan 0.000 0.526 560 A N 1.051 123.837 122.820 -0.056 0.000 2.167 560 A HA 0.397 4.717 4.320 -0.000 0.000 0.214 560 A C 2.007 179.562 177.584 -0.049 0.000 1.151 560 A CA 0.698 52.707 52.037 -0.047 0.000 0.735 560 A CB -0.404 18.570 19.000 -0.044 0.000 0.802 560 A HN 0.615 nan 8.150 nan 0.000 0.467 561 M N -1.901 117.663 119.600 -0.061 0.000 2.329 561 M HA 0.192 4.672 4.480 -0.000 0.000 0.281 561 M C -0.343 175.917 176.300 -0.067 0.000 1.088 561 M CA 0.301 55.563 55.300 -0.064 0.000 1.108 561 M CB 0.865 33.420 32.600 -0.076 0.000 1.657 561 M HN 0.121 nan 8.290 nan 0.000 0.579 562 S N 0.760 116.416 115.700 -0.072 0.000 2.548 562 S HA 0.470 4.940 4.470 -0.000 0.000 0.286 562 S C -0.159 174.410 174.600 -0.051 0.000 1.098 562 S CA -0.923 57.235 58.200 -0.069 0.000 0.930 562 S CB 2.083 65.222 63.200 -0.102 0.000 1.070 562 S HN 0.377 nan 8.310 nan 0.000 0.480 563 S N 1.474 117.152 115.700 -0.037 0.000 2.579 563 S HA 0.416 4.886 4.470 -0.000 0.000 0.275 563 S C 1.446 176.033 174.600 -0.022 0.000 1.345 563 S CA -0.187 57.998 58.200 -0.025 0.000 1.031 563 S CB 0.631 63.821 63.200 -0.016 0.000 0.892 563 S HN 0.936 nan 8.310 nan 0.000 0.529 564 A N 2.893 125.702 122.820 -0.017 0.000 1.917 564 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 564 A C 2.430 180.014 177.584 0.000 0.000 1.182 564 A CA 2.044 54.074 52.037 -0.011 0.000 0.633 564 A CB -1.681 17.312 19.000 -0.011 0.000 0.819 564 A HN 1.440 nan 8.150 nan 0.000 0.448 565 A N -0.464 122.357 122.820 0.002 0.000 1.930 565 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 565 A C 1.785 179.383 177.584 0.025 0.000 1.175 565 A CA 1.815 53.858 52.037 0.011 0.000 0.627 565 A CB -0.474 18.530 19.000 0.006 0.000 0.815 565 A HN 0.451 nan 8.150 nan 0.000 0.443 566 D N -0.025 120.387 120.400 0.021 0.000 2.149 566 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 566 D C 1.871 178.215 176.300 0.072 0.000 0.972 566 D CA 0.874 54.899 54.000 0.042 0.000 0.835 566 D CB -0.255 40.555 40.800 0.016 0.000 0.966 566 D HN 0.517 nan 8.370 nan 0.000 0.476 567 I N 0.844 121.433 120.570 0.031 0.000 2.179 567 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 567 I C 2.451 178.638 176.117 0.116 0.000 1.088 567 I CA 1.052 62.378 61.300 0.043 0.000 1.357 567 I CB -0.201 37.792 38.000 -0.011 0.000 1.051 567 I HN 0.003 nan 8.210 nan 0.000 0.409 568 E N 1.106 121.349 120.200 0.072 0.000 2.058 568 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 568 E C 2.290 178.933 176.600 0.072 0.000 0.997 568 E CA 1.463 57.901 56.400 0.062 0.000 0.801 568 E CB -0.053 29.666 29.700 0.032 0.000 0.746 568 E HN 0.486 nan 8.360 nan 0.000 0.450 569 A N 0.441 123.305 122.820 0.074 0.000 1.902 569 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 569 A C 1.994 179.618 177.584 0.067 0.000 1.181 569 A CA 1.334 53.402 52.037 0.051 0.000 0.623 569 A CB -0.844 18.186 19.000 0.050 0.000 0.818 569 A HN 0.496 nan 8.150 nan 0.000 0.443 570 F N 0.723 120.683 119.950 0.017 0.000 2.075 570 F HA -0.153 4.374 4.527 0.000 0.000 0.297 570 F C 2.228 178.092 175.800 0.107 0.000 1.113 570 F CA 2.187 60.252 58.000 0.108 0.000 1.218 570 F CB -0.177 38.909 39.000 0.144 0.000 0.984 570 F HN 0.103 nan 8.300 nan 0.000 0.472 571 K N -0.270 120.310 120.400 0.300 0.000 2.059 571 K HA -0.316 4.004 4.320 -0.000 0.000 0.212 571 K C 2.087 178.699 176.600 0.019 0.000 1.050 571 K CA 2.047 58.425 56.287 0.150 0.000 0.927 571 K CB -0.434 32.151 32.500 0.142 0.000 0.714 571 K HN 0.331 nan 8.250 nan 0.000 0.447 572 Q N 1.289 121.078 119.800 -0.018 0.000 2.046 572 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 572 Q C 2.034 177.950 176.000 -0.141 0.000 0.975 572 Q CA 1.537 57.308 55.803 -0.054 0.000 0.836 572 Q CB -0.111 28.601 28.738 -0.043 0.000 0.896 572 Q HN 0.186 nan 8.270 nan 0.000 0.428 573 R N -1.346 118.977 120.500 -0.295 0.000 2.081 573 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 573 R C 0.794 176.743 176.300 -0.585 0.000 1.131 573 R CA 1.495 57.272 56.100 -0.539 0.000 0.960 573 R CB -0.081 29.683 30.300 -0.892 0.000 0.856 573 R HN 0.364 nan 8.270 nan 0.000 0.436 574 Y N 0.670 120.864 120.300 -0.177 0.000 2.524 574 Y HA 0.248 4.798 4.550 -0.000 0.000 0.266 574 Y C -0.339 175.578 175.900 0.028 0.000 1.180 574 Y CA -0.332 57.684 58.100 -0.140 0.000 1.244 574 Y CB 0.165 38.373 38.460 -0.420 0.000 1.125 574 Y HN 0.138 nan 8.280 nan 0.000 0.524 575 E N -0.504 119.756 120.200 0.100 0.000 2.360 575 E HA -0.253 4.097 4.350 -0.000 0.000 0.238 575 E C 0.628 177.385 176.600 0.262 0.000 1.186 575 E CA 0.459 56.940 56.400 0.136 0.000 0.719 575 E CB -1.281 28.476 29.700 0.095 0.000 1.236 575 E HN 0.494 nan 8.360 nan 0.000 0.386 576 A N 0.320 123.235 122.820 0.158 0.000 2.574 576 A HA 0.190 4.510 4.320 -0.000 0.000 0.283 576 A C 1.422 179.054 177.584 0.079 0.000 1.270 576 A CA -0.233 51.835 52.037 0.051 0.000 0.945 576 A CB 0.315 19.262 19.000 -0.088 0.000 1.127 576 A HN 0.145 nan 8.150 nan 0.000 0.522 577 Q N 0.509 120.365 119.800 0.093 0.000 2.197 577 Q HA -0.171 4.169 4.340 -0.000 0.000 0.207 577 Q C 0.552 176.591 176.000 0.064 0.000 0.984 577 Q CA 2.004 57.850 55.803 0.072 0.000 0.869 577 Q CB -0.035 28.738 28.738 0.057 0.000 0.906 577 Q HN 0.556 nan 8.270 nan 0.000 0.426 578 D N -0.866 119.583 120.400 0.080 0.000 2.349 578 D HA 0.087 4.727 4.640 -0.000 0.000 0.214 578 D C -0.162 176.187 176.300 0.082 0.000 1.063 578 D CA 0.088 54.134 54.000 0.077 0.000 0.847 578 D CB 0.264 41.116 40.800 0.087 0.000 0.933 578 D HN 0.226 nan 8.370 nan 0.000 0.513 579 L N 1.500 122.757 121.223 0.057 0.000 2.380 579 L HA 0.131 4.471 4.340 -0.000 0.000 0.273 579 L C 0.592 177.491 176.870 0.049 0.000 1.138 579 L CA -0.007 54.865 54.840 0.053 0.000 0.832 579 L CB 0.733 42.776 42.059 -0.027 0.000 1.124 579 L HN -0.213 nan 8.230 nan 0.000 0.454 580 Q N 4.235 124.080 119.800 0.075 0.000 2.345 580 Q HA 0.481 4.821 4.340 -0.000 0.000 0.268 580 Q C -2.401 173.586 176.000 -0.022 0.000 1.054 580 Q CA -1.979 53.809 55.803 -0.025 0.000 0.835 580 Q CB 2.182 30.827 28.738 -0.156 0.000 1.339 580 Q HN 0.338 nan 8.270 nan 0.000 0.447 581 P HA -0.003 nan 4.420 nan 0.000 0.272 581 P C 0.710 177.972 177.300 -0.063 0.000 1.223 581 P CA -0.352 62.694 63.100 -0.090 0.000 0.784 581 P CB 0.900 32.529 31.700 -0.119 0.000 0.923 582 L N 3.118 124.341 121.223 0.000 0.000 2.129 582 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 582 L C 2.380 179.275 176.870 0.043 0.000 1.087 582 L CA 2.620 57.510 54.840 0.084 0.000 0.757 582 L CB -1.567 40.502 42.059 0.017 0.000 0.896 582 L HN 0.482 nan 8.230 nan 0.000 0.434 583 S N -2.657 113.029 115.700 -0.023 0.000 2.400 583 S HA -0.238 4.232 4.470 -0.000 0.000 0.232 583 S C 1.877 176.431 174.600 -0.078 0.000 1.025 583 S CA 1.675 59.859 58.200 -0.026 0.000 0.993 583 S CB -1.350 61.824 63.200 -0.043 0.000 0.808 583 S HN 0.564 nan 8.310 nan 0.000 0.478 584 T N 1.179 115.607 114.554 -0.210 0.000 2.720 584 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 584 T C 1.355 175.871 174.700 -0.308 0.000 1.037 584 T CA 1.825 63.715 62.100 -0.349 0.000 1.144 584 T CB -0.489 68.016 68.868 -0.604 0.000 0.864 584 T HN 0.624 nan 8.240 nan 0.000 0.444 585 Y N 0.811 121.130 120.300 0.033 0.000 2.314 585 Y HA 0.245 4.795 4.550 -0.000 0.000 0.294 585 Y C 2.174 178.190 175.900 0.193 0.000 1.119 585 Y CA -0.076 58.089 58.100 0.109 0.000 1.179 585 Y CB -0.723 37.785 38.460 0.080 0.000 1.025 585 Y HN 0.115 nan 8.280 nan 0.000 0.541 586 L N 0.119 121.490 121.223 0.247 0.000 2.012 586 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 586 L C 2.273 179.250 176.870 0.178 0.000 1.073 586 L CA 1.728 56.705 54.840 0.228 0.000 0.748 586 L CB -0.561 41.602 42.059 0.174 0.000 0.891 586 L HN 0.169 nan 8.230 nan 0.000 0.431 587 K N -0.359 120.089 120.400 0.080 0.000 2.097 587 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 587 K C 2.161 178.755 176.600 -0.011 0.000 1.049 587 K CA 1.241 57.543 56.287 0.026 0.000 0.933 587 K CB -0.152 32.333 32.500 -0.024 0.000 0.717 587 K HN 0.373 nan 8.250 nan 0.000 0.442 588 Q N -0.354 119.414 119.800 -0.053 0.000 2.135 588 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 588 Q C 1.082 176.832 176.000 -0.417 0.000 0.981 588 Q CA 1.458 57.105 55.803 -0.260 0.000 0.856 588 Q CB -0.015 28.508 28.738 -0.359 0.000 0.902 588 Q HN 0.280 nan 8.270 nan 0.000 0.425 589 F N -1.222 118.769 119.950 0.067 0.000 2.645 589 F HA 0.282 4.809 4.527 -0.000 0.000 0.300 589 F C 1.202 177.046 175.800 0.074 0.000 1.115 589 F CA 0.460 58.504 58.000 0.074 0.000 1.355 589 F CB 0.802 39.856 39.000 0.090 0.000 1.026 589 F HN 0.096 nan 8.300 nan 0.000 0.536 590 G N 0.702 109.585 108.800 0.139 0.000 2.141 590 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 590 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 590 G C -0.053 174.915 174.900 0.113 0.000 0.982 590 G CA -0.272 44.890 45.100 0.102 0.000 0.662 590 G HN 0.276 nan 8.290 nan 0.000 0.527 591 L N 1.664 122.974 121.223 0.145 0.000 2.325 591 L HA 0.506 4.846 4.340 -0.000 0.000 0.278 591 L C 0.170 177.099 176.870 0.098 0.000 1.023 591 L CA -1.184 53.736 54.840 0.133 0.000 0.811 591 L CB 1.215 43.392 42.059 0.196 0.000 1.249 591 L HN 0.304 nan 8.230 nan 0.000 0.431 592 D N 0.386 120.827 120.400 0.069 0.000 2.294 592 D HA 0.142 4.782 4.640 -0.000 0.000 0.250 592 D C -0.649 175.682 176.300 0.053 0.000 1.058 592 D CA -0.585 53.444 54.000 0.047 0.000 0.950 592 D CB 2.019 42.835 40.800 0.026 0.000 1.158 592 D HN 0.412 nan 8.370 nan 0.000 0.453 593 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 0.035 0.000 0.868 593 D CB 0.000 40.808 40.800 0.014 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683