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 1l5s_1_A DATA FIRST_RESID 22 DATA SEQUENCE ENVAELKKSF NRHLHFTLVK DRNVATTRDY YFALAHTVRD HLVGRWIRTQ DATA SEQUENCE QHYYDKCPKR VYYLSLEFYM GRTLQNTMIN LGLQNACDEA IYQLGLDIEE DATA SEQUENCE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY EYGIFNQKIR DATA SEQUENCE DGWQVEEADD WLRYGNPWEK SRPEFMLPVH FYGKVEHTNT GTKWIDTQVV DATA SEQUENCE LALPYDTPVP GYMNNTVNTM RLWSARAPND XXXXXXXXXD YIQAVLDRNL DATA SEQUENCE AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF KASKFXXXXX DATA SEQUENCE XXXVFDAFPD QVAIQLNDTH PALAIPELMR IFVDIEKLPW SKAWELTQKT DATA SEQUENCE FAYTNHTVLP EALERWPVDL VEKLLPRHLE IIYEINQKHL DRIVALFPKD DATA SEQUENCE VDRLRRMSLI EEEGSKRINM AHLCIVGSHA VNGVAKIHSD IVKTKVFKDF DATA SEQUENCE SELEPDKFQN KTNGITPRRW LLLCNPGLAE LIAEKIGEDY VKDLSQLTKL DATA SEQUENCE HSFLGDDVFL RELAKVKQEN KLKFSQFLET EYKVKINPSS MFDVQVKRIH DATA SEQUENCE EYKRQLLNCL HVITMYNRIK KDPKKLFVPR TVIIGGKAAP GYHMAKMIIK DATA SEQUENCE LITSVADVVN NDPMVGSKLK VIFLENYRVS LAEKVIPATD LSEQISTAGT DATA SEQUENCE EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENLFIF GMRIDDVAAL DATA SEQUENCE DKKGYEAKEY YEALPELKLV IDQIDNGFFS PKQPDLFKDI INMLFYHDRF DATA SEQUENCE KVFADYEAYV KCQDKVSQLY MNPKAWNTMV LKNIAASGKF SSDRTIKEYA DATA SEQUENCE QNIWNVEPSD 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 22 E HA 0.000 nan 4.350 nan 0.000 0.291 22 E C 0.000 176.644 176.600 0.073 0.000 1.382 22 E CA 0.000 56.518 56.400 0.197 0.000 0.976 22 E CB 0.000 29.794 29.700 0.157 0.000 0.812 23 N N -0.397 118.346 118.700 0.072 0.000 2.482 23 N HA 0.359 5.099 4.740 -0.000 0.000 0.279 23 N C 1.052 176.590 175.510 0.046 0.000 1.182 23 N CA -0.573 52.503 53.050 0.043 0.000 0.969 23 N CB 1.718 40.228 38.487 0.038 0.000 1.201 23 N HN -0.141 nan 8.380 nan 0.000 0.523 24 V N 0.187 120.120 119.914 0.032 0.000 2.252 24 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 24 V C 2.494 178.610 176.094 0.037 0.000 1.056 24 V CA 2.563 64.882 62.300 0.031 0.000 1.022 24 V CB -1.528 30.309 31.823 0.023 0.000 0.641 24 V HN 0.915 nan 8.190 nan 0.000 0.445 25 A N -0.609 122.231 122.820 0.035 0.000 1.908 25 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 25 A C 2.192 179.807 177.584 0.053 0.000 1.181 25 A CA 1.817 53.875 52.037 0.035 0.000 0.627 25 A CB -0.466 18.551 19.000 0.029 0.000 0.818 25 A HN 0.529 nan 8.150 nan 0.000 0.445 26 E N -0.105 120.133 120.200 0.063 0.000 2.150 26 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 26 E C 1.996 178.667 176.600 0.117 0.000 0.985 26 E CA 0.668 57.117 56.400 0.081 0.000 0.814 26 E CB -0.356 29.392 29.700 0.080 0.000 0.752 26 E HN 0.691 nan 8.360 nan 0.000 0.466 27 L N 0.614 121.911 121.223 0.124 0.000 2.109 27 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 27 L C 2.375 179.349 176.870 0.172 0.000 1.086 27 L CA 1.041 55.980 54.840 0.165 0.000 0.760 27 L CB -0.235 41.898 42.059 0.125 0.000 0.910 27 L HN 0.014 nan 8.230 nan 0.000 0.437 28 K N 0.205 120.670 120.400 0.108 0.000 2.097 28 K HA -0.223 4.097 4.320 -0.000 0.000 0.206 28 K C 2.139 178.847 176.600 0.180 0.000 1.049 28 K CA 1.226 57.573 56.287 0.101 0.000 0.933 28 K CB -0.102 32.417 32.500 0.031 0.000 0.717 28 K HN 0.193 nan 8.250 nan 0.000 0.442 29 K N 0.896 121.378 120.400 0.136 0.000 2.057 29 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 29 K C 2.168 178.858 176.600 0.149 0.000 1.050 29 K CA 1.475 57.834 56.287 0.121 0.000 0.935 29 K CB 0.083 32.631 32.500 0.080 0.000 0.715 29 K HN -0.058 nan 8.250 nan 0.000 0.439 30 S N 0.483 116.289 115.700 0.176 0.000 2.368 30 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 30 S C 1.492 176.261 174.600 0.282 0.000 1.029 30 S CA 1.174 59.488 58.200 0.190 0.000 0.988 30 S CB -0.395 62.941 63.200 0.227 0.000 0.838 30 S HN 0.396 nan 8.310 nan 0.000 0.462 31 F N 3.422 123.477 119.950 0.175 0.000 2.095 31 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 31 F C 1.949 177.849 175.800 0.167 0.000 1.104 31 F CA 1.458 59.571 58.000 0.188 0.000 1.232 31 F CB -0.471 38.610 39.000 0.135 0.000 0.987 31 F HN 0.112 nan 8.300 nan 0.000 0.475 32 N N 0.433 119.339 118.700 0.344 0.000 2.223 32 N HA -0.177 4.563 4.740 -0.000 0.000 0.185 32 N C 2.004 177.551 175.510 0.062 0.000 1.016 32 N CA 1.136 54.297 53.050 0.186 0.000 0.863 32 N CB -0.517 38.071 38.487 0.167 0.000 0.983 32 N HN 0.390 nan 8.380 nan 0.000 0.429 33 R N -0.144 120.399 120.500 0.072 0.000 2.073 33 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 33 R C 1.835 178.164 176.300 0.049 0.000 1.120 33 R CA 1.059 57.206 56.100 0.078 0.000 0.967 33 R CB -0.067 30.263 30.300 0.051 0.000 0.862 33 R HN 0.325 nan 8.270 nan 0.000 0.436 34 H N 0.204 119.297 119.070 0.039 0.000 2.357 34 H HA -0.119 4.437 4.556 -0.000 0.000 0.301 34 H C 2.039 177.279 175.328 -0.147 0.000 1.082 34 H CA 1.402 57.414 56.048 -0.060 0.000 1.342 34 H CB -0.110 29.579 29.762 -0.120 0.000 1.389 34 H HN 0.157 nan 8.280 nan 0.000 0.511 35 L N 0.505 121.665 121.223 -0.104 0.000 2.042 35 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 35 L C 2.434 179.249 176.870 -0.093 0.000 1.076 35 L CA 1.896 56.643 54.840 -0.155 0.000 0.749 35 L CB -0.629 41.329 42.059 -0.169 0.000 0.893 35 L HN 0.214 nan 8.230 nan 0.000 0.432 36 H N -1.496 117.462 119.070 -0.186 0.000 2.265 36 H HA -0.121 4.435 4.556 -0.000 0.000 0.305 36 H C 1.842 176.985 175.328 -0.308 0.000 1.054 36 H CA 2.545 58.403 56.048 -0.315 0.000 1.296 36 H CB -0.393 29.050 29.762 -0.532 0.000 1.395 36 H HN 0.291 nan 8.280 nan 0.000 0.502 37 F N -0.350 119.578 119.950 -0.036 0.000 2.206 37 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 37 F C 2.652 178.377 175.800 -0.125 0.000 1.090 37 F CA 1.476 59.417 58.000 -0.098 0.000 1.323 37 F CB -0.526 38.452 39.000 -0.036 0.000 1.028 37 F HN 0.210 nan 8.300 nan 0.000 0.492 38 T N -0.396 114.190 114.554 0.053 0.000 2.976 38 T HA 0.079 4.429 4.350 -0.000 0.000 0.257 38 T C 1.709 176.319 174.700 -0.149 0.000 1.051 38 T CA 0.656 62.714 62.100 -0.070 0.000 1.141 38 T CB 0.036 68.828 68.868 -0.127 0.000 0.881 38 T HN -0.021 nan 8.240 nan 0.000 0.461 39 L N 1.169 122.308 121.223 -0.140 0.000 2.616 39 L HA 0.285 4.625 4.340 -0.000 0.000 0.229 39 L C 0.675 177.463 176.870 -0.136 0.000 1.110 39 L CA 0.403 55.163 54.840 -0.133 0.000 0.884 39 L CB -0.505 41.486 42.059 -0.114 0.000 1.115 39 L HN 0.082 nan 8.230 nan 0.000 0.481 40 V N 0.042 119.849 119.914 -0.178 0.000 5.616 40 V HA -0.278 3.842 4.120 -0.000 0.000 0.301 40 V C 0.389 176.369 176.094 -0.191 0.000 0.564 40 V CA 1.008 63.172 62.300 -0.225 0.000 0.653 40 V CB -2.121 29.607 31.823 -0.159 0.000 0.372 40 V HN 0.382 nan 8.190 nan 0.000 1.029 41 K N 0.719 121.012 120.400 -0.178 0.000 2.466 41 K HA 0.774 5.094 4.320 -0.000 0.000 0.260 41 K C -0.386 176.181 176.600 -0.055 0.000 1.011 41 K CA -0.310 55.907 56.287 -0.117 0.000 0.871 41 K CB 2.481 34.905 32.500 -0.126 0.000 1.404 41 K HN 0.475 nan 8.250 nan 0.000 0.450 42 D N -1.098 119.293 120.400 -0.015 0.000 2.553 42 D HA 0.362 5.001 4.640 -0.000 0.000 0.249 42 D C 0.633 176.978 176.300 0.074 0.000 1.062 42 D CA -0.647 53.379 54.000 0.043 0.000 1.085 42 D CB 0.805 41.627 40.800 0.037 0.000 1.350 42 D HN 0.053 nan 8.370 nan 0.000 0.575 43 R N -0.151 120.420 120.500 0.119 0.000 2.237 43 R HA 0.049 4.389 4.340 -0.000 0.000 0.219 43 R C 0.876 177.259 176.300 0.138 0.000 1.080 43 R CA 0.468 56.679 56.100 0.186 0.000 0.995 43 R CB -0.771 29.625 30.300 0.160 0.000 0.875 43 R HN 0.494 nan 8.270 nan 0.000 0.462 44 N N -0.179 118.565 118.700 0.074 0.000 2.251 44 N HA -0.058 4.682 4.740 -0.000 0.000 0.181 44 N C 1.520 177.048 175.510 0.029 0.000 1.019 44 N CA 0.911 53.991 53.050 0.050 0.000 0.862 44 N CB 0.160 38.664 38.487 0.029 0.000 0.992 44 N HN -0.005 nan 8.380 nan 0.000 0.429 45 V N 0.868 120.784 119.914 0.003 0.000 3.660 45 V HA 0.287 4.407 4.120 -0.000 0.000 0.276 45 V C 0.810 176.857 176.094 -0.078 0.000 1.317 45 V CA -0.181 62.101 62.300 -0.029 0.000 1.097 45 V CB -0.362 31.440 31.823 -0.035 0.000 0.863 45 V HN 0.152 nan 8.190 nan 0.000 0.438 46 A N 1.530 124.280 122.820 -0.116 0.000 2.477 46 A HA 0.453 4.773 4.320 -0.000 0.000 0.246 46 A C 0.872 178.229 177.584 -0.379 0.000 1.078 46 A CA 0.605 52.451 52.037 -0.320 0.000 0.770 46 A CB -0.023 18.651 19.000 -0.543 0.000 1.011 46 A HN 0.521 nan 8.150 nan 0.000 0.494 47 T N -0.599 113.733 114.554 -0.370 0.000 2.897 47 T HA 0.407 4.757 4.350 -0.000 0.000 0.278 47 T C 1.199 175.718 174.700 -0.303 0.000 0.981 47 T CA 0.224 62.178 62.100 -0.243 0.000 0.973 47 T CB 0.722 69.496 68.868 -0.157 0.000 1.092 47 T HN 0.473 nan 8.240 nan 0.000 0.543 48 T N 0.049 114.566 114.554 -0.062 0.000 2.788 48 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 48 T C 1.991 176.706 174.700 0.025 0.000 1.044 48 T CA 1.360 63.523 62.100 0.107 0.000 1.139 48 T CB -0.323 68.604 68.868 0.098 0.000 0.867 48 T HN 0.687 nan 8.240 nan 0.000 0.454 49 R N 1.146 121.577 120.500 -0.116 0.000 2.081 49 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 49 R C 1.861 178.032 176.300 -0.215 0.000 1.131 49 R CA 1.725 57.678 56.100 -0.245 0.000 0.960 49 R CB -0.267 29.840 30.300 -0.322 0.000 0.856 49 R HN 0.235 nan 8.270 nan 0.000 0.436 50 D N -0.369 119.945 120.400 -0.143 0.000 2.123 50 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 50 D C 1.727 177.991 176.300 -0.059 0.000 0.992 50 D CA 1.336 55.279 54.000 -0.094 0.000 0.833 50 D CB -0.279 40.357 40.800 -0.274 0.000 0.954 50 D HN 0.307 nan 8.370 nan 0.000 0.455 51 Y N -0.138 120.205 120.300 0.072 0.000 2.200 51 Y HA -0.186 4.364 4.550 -0.000 0.000 0.290 51 Y C 2.311 178.325 175.900 0.189 0.000 1.137 51 Y CA 0.392 58.597 58.100 0.176 0.000 1.163 51 Y CB -1.191 37.445 38.460 0.294 0.000 0.988 51 Y HN 0.075 nan 8.280 nan 0.000 0.518 52 Y N -0.224 120.180 120.300 0.174 0.000 2.097 52 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 52 Y C 2.008 177.985 175.900 0.128 0.000 1.152 52 Y CA 1.388 59.539 58.100 0.086 0.000 1.136 52 Y CB -1.044 37.341 38.460 -0.124 0.000 0.975 52 Y HN 0.003 nan 8.280 nan 0.000 0.498 53 F N 0.439 120.283 119.950 -0.177 0.000 2.126 53 F HA -0.160 4.366 4.527 -0.000 0.000 0.299 53 F C 2.707 178.381 175.800 -0.210 0.000 1.096 53 F CA 1.087 58.927 58.000 -0.268 0.000 1.255 53 F CB -1.535 37.420 39.000 -0.075 0.000 0.997 53 F HN 0.219 nan 8.300 nan 0.000 0.479 54 A N -0.208 122.597 122.820 -0.026 0.000 1.902 54 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 54 A C 2.175 179.712 177.584 -0.078 0.000 1.181 54 A CA 1.621 53.526 52.037 -0.220 0.000 0.623 54 A CB -1.081 17.503 19.000 -0.694 0.000 0.818 54 A HN 0.349 nan 8.150 nan 0.000 0.443 55 L N -0.385 120.915 121.223 0.128 0.000 2.072 55 L HA 0.056 4.396 4.340 -0.000 0.000 0.205 55 L C 2.594 179.515 176.870 0.086 0.000 1.079 55 L CA 2.077 57.093 54.840 0.293 0.000 0.752 55 L CB -0.833 41.439 42.059 0.354 0.000 0.906 55 L HN 0.312 nan 8.230 nan 0.000 0.436 56 A N -1.006 121.731 122.820 -0.137 0.000 1.908 56 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 56 A C 2.134 179.503 177.584 -0.358 0.000 1.181 56 A CA 2.090 53.969 52.037 -0.262 0.000 0.627 56 A CB -1.083 17.520 19.000 -0.661 0.000 0.818 56 A HN 0.670 nan 8.150 nan 0.000 0.445 57 H N -0.872 117.930 119.070 -0.446 0.000 2.389 57 H HA -0.029 4.527 4.556 -0.000 0.000 0.299 57 H C 2.337 177.427 175.328 -0.396 0.000 1.081 57 H CA 1.858 57.547 56.048 -0.598 0.000 1.345 57 H CB -0.363 28.738 29.762 -1.102 0.000 1.393 57 H HN 0.440 nan 8.280 nan 0.000 0.520 58 T N -0.331 114.194 114.554 -0.049 0.000 2.720 58 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 58 T C 2.237 177.115 174.700 0.296 0.000 1.037 58 T CA 1.401 63.641 62.100 0.233 0.000 1.144 58 T CB -0.383 68.688 68.868 0.338 0.000 0.864 58 T HN 0.096 nan 8.240 nan 0.000 0.444 59 V N 1.119 121.182 119.914 0.248 0.000 2.379 59 V HA -0.073 4.047 4.120 -0.000 0.000 0.245 59 V C 2.589 178.877 176.094 0.323 0.000 1.044 59 V CA 1.474 63.963 62.300 0.315 0.000 1.036 59 V CB -0.556 31.442 31.823 0.291 0.000 0.664 59 V HN 0.341 nan 8.190 nan 0.000 0.453 60 R N 0.268 120.888 120.500 0.200 0.000 2.103 60 R HA -0.224 4.116 4.340 -0.000 0.000 0.242 60 R C 1.952 178.322 176.300 0.118 0.000 1.142 60 R CA 2.126 58.312 56.100 0.144 0.000 0.960 60 R CB -0.388 29.779 30.300 -0.221 0.000 0.858 60 R HN 0.492 nan 8.270 nan 0.000 0.439 61 D N -0.348 120.105 120.400 0.088 0.000 2.221 61 D HA -0.170 4.470 4.640 -0.000 0.000 0.204 61 D C 1.588 177.882 176.300 -0.009 0.000 0.982 61 D CA 1.067 55.093 54.000 0.044 0.000 0.857 61 D CB -0.352 40.471 40.800 0.039 0.000 0.934 61 D HN 0.470 nan 8.370 nan 0.000 0.475 62 H N -0.290 118.833 119.070 0.087 0.000 2.521 62 H HA 0.048 4.604 4.556 -0.000 0.000 0.286 62 H C 2.089 177.448 175.328 0.052 0.000 1.034 62 H CA 0.420 56.507 56.048 0.065 0.000 1.278 62 H CB 0.376 30.171 29.762 0.055 0.000 1.386 62 H HN 0.219 nan 8.280 nan 0.000 0.567 63 L N -0.504 120.812 121.223 0.155 0.000 2.249 63 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 63 L C 2.515 179.475 176.870 0.150 0.000 1.090 63 L CA 0.097 54.993 54.840 0.094 0.000 0.802 63 L CB -0.091 41.979 42.059 0.017 0.000 0.947 63 L HN -0.015 nan 8.230 nan 0.000 0.453 64 V N 0.734 120.754 119.914 0.176 0.000 2.220 64 V HA -0.341 3.779 4.120 -0.000 0.000 0.250 64 V C 2.655 178.853 176.094 0.174 0.000 1.056 64 V CA 2.377 64.807 62.300 0.217 0.000 1.016 64 V CB -1.585 30.319 31.823 0.136 0.000 0.639 64 V HN 0.581 nan 8.190 nan 0.000 0.446 65 G N -0.476 108.384 108.800 0.100 0.000 2.529 65 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 65 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 65 G C 1.710 176.658 174.900 0.080 0.000 1.177 65 G CA 1.178 46.319 45.100 0.069 0.000 0.773 65 G HN 0.483 nan 8.290 nan 0.000 0.573 66 R N -1.574 118.980 120.500 0.090 0.000 2.235 66 R HA -0.013 4.327 4.340 -0.000 0.000 0.213 66 R C 2.158 178.549 176.300 0.153 0.000 1.059 66 R CA 0.623 56.769 56.100 0.077 0.000 0.997 66 R CB -0.200 30.125 30.300 0.041 0.000 0.884 66 R HN 0.521 nan 8.270 nan 0.000 0.462 67 W N 1.170 122.452 121.300 -0.029 0.000 2.443 67 W HA 0.035 4.695 4.660 -0.000 0.000 0.296 67 W C 1.509 178.001 176.519 -0.046 0.000 1.202 67 W CA 0.594 57.917 57.345 -0.036 0.000 1.312 67 W CB -0.399 29.056 29.460 -0.008 0.000 1.120 67 W HN -0.086 nan 8.180 nan 0.000 0.536 68 I N 0.448 121.084 120.570 0.110 0.000 2.202 68 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 68 I C 2.555 178.658 176.117 -0.024 0.000 1.091 68 I CA 1.409 62.686 61.300 -0.038 0.000 1.368 68 I CB -0.549 37.437 38.000 -0.024 0.000 1.058 68 I HN -0.117 nan 8.210 nan 0.000 0.410 69 R N 0.117 120.622 120.500 0.008 0.000 2.081 69 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 69 R C 2.313 178.586 176.300 -0.046 0.000 1.131 69 R CA 1.925 58.021 56.100 -0.006 0.000 0.960 69 R CB -0.804 29.492 30.300 -0.007 0.000 0.856 69 R HN 0.339 nan 8.270 nan 0.000 0.436 70 T N 1.269 115.772 114.554 -0.084 0.000 2.708 70 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 70 T C 1.831 176.214 174.700 -0.529 0.000 1.037 70 T CA 1.106 63.040 62.100 -0.276 0.000 1.146 70 T CB -0.077 68.682 68.868 -0.182 0.000 0.865 70 T HN 0.199 nan 8.240 nan 0.000 0.435 71 Q N 0.642 120.289 119.800 -0.255 0.000 2.230 71 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 71 Q C 2.313 178.301 176.000 -0.019 0.000 0.963 71 Q CA 1.038 56.756 55.803 -0.141 0.000 0.866 71 Q CB -0.384 28.311 28.738 -0.071 0.000 0.931 71 Q HN 0.476 nan 8.270 nan 0.000 0.452 72 Q N 0.278 120.068 119.800 -0.017 0.000 2.083 72 Q HA -0.170 4.170 4.340 -0.000 0.000 0.198 72 Q C 1.854 177.940 176.000 0.144 0.000 0.969 72 Q CA 1.861 57.708 55.803 0.073 0.000 0.838 72 Q CB -0.385 28.383 28.738 0.049 0.000 0.900 72 Q HN 0.548 nan 8.270 nan 0.000 0.436 73 H N -0.965 118.092 119.070 -0.022 0.000 2.421 73 H HA -0.136 4.420 4.556 -0.000 0.000 0.298 73 H C 0.971 176.393 175.328 0.157 0.000 1.087 73 H CA 1.866 57.927 56.048 0.022 0.000 1.330 73 H CB -0.147 29.583 29.762 -0.053 0.000 1.388 73 H HN 0.312 nan 8.280 nan 0.000 0.526 74 Y N -0.946 119.376 120.300 0.036 0.000 2.242 74 Y HA -0.169 4.381 4.550 -0.000 0.000 0.291 74 Y C 2.356 178.272 175.900 0.025 0.000 1.137 74 Y CA 1.075 59.172 58.100 -0.006 0.000 1.181 74 Y CB -1.332 37.209 38.460 0.135 0.000 0.989 74 Y HN 0.368 nan 8.280 nan 0.000 0.527 75 Y N 1.213 121.594 120.300 0.134 0.000 2.163 75 Y HA -0.186 4.364 4.550 -0.000 0.000 0.288 75 Y C 1.878 177.791 175.900 0.022 0.000 1.136 75 Y CA 1.789 59.934 58.100 0.075 0.000 1.147 75 Y CB -0.350 38.151 38.460 0.067 0.000 0.987 75 Y HN 0.024 nan 8.280 nan 0.000 0.509 76 D N 0.098 120.481 120.400 -0.029 0.000 2.084 76 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 76 D C 1.791 177.989 176.300 -0.170 0.000 0.985 76 D CA 1.380 55.301 54.000 -0.132 0.000 0.826 76 D CB -0.140 40.664 40.800 0.006 0.000 0.978 76 D HN 0.233 nan 8.370 nan 0.000 0.456 77 K N 0.014 120.297 120.400 -0.195 0.000 2.426 77 K HA 0.077 4.397 4.320 -0.000 0.000 0.193 77 K C 0.437 176.961 176.600 -0.126 0.000 1.028 77 K CA -0.135 56.044 56.287 -0.179 0.000 1.047 77 K CB -0.483 31.841 32.500 -0.294 0.000 0.821 77 K HN 0.091 nan 8.250 nan 0.000 0.513 78 C N 2.568 121.802 119.300 -0.110 0.000 3.592 78 C HA -0.105 4.355 4.460 -0.000 0.000 0.281 78 C C -1.822 173.142 174.990 -0.044 0.000 1.400 78 C CA -0.972 58.010 59.018 -0.060 0.000 2.104 78 C CB -1.986 25.711 27.740 -0.072 0.000 1.369 78 C HN 0.356 nan 8.230 nan 0.000 0.597 79 P HA 0.176 nan 4.420 nan 0.000 0.274 79 P C -0.202 177.053 177.300 -0.076 0.000 1.237 79 P CA 0.018 63.084 63.100 -0.056 0.000 0.793 79 P CB 0.585 32.247 31.700 -0.063 0.000 0.977 80 K N 1.985 122.349 120.400 -0.061 0.000 2.451 80 K HA 0.021 4.341 4.320 -0.000 0.000 0.280 80 K C 0.126 176.633 176.600 -0.154 0.000 1.020 80 K CA 0.093 56.334 56.287 -0.077 0.000 1.008 80 K CB 0.270 32.744 32.500 -0.044 0.000 0.917 80 K HN 0.353 nan 8.250 nan 0.000 0.478 81 R N 2.093 122.470 120.500 -0.206 0.000 2.536 81 R HA 0.377 4.717 4.340 -0.000 0.000 0.279 81 R C -0.823 175.185 176.300 -0.487 0.000 1.001 81 R CA -0.969 54.920 56.100 -0.351 0.000 1.027 81 R CB 1.635 31.698 30.300 -0.396 0.000 1.096 81 R HN 0.258 nan 8.270 nan 0.000 0.502 82 V N 2.998 122.580 119.914 -0.553 0.000 2.459 82 V HA 0.310 4.430 4.120 -0.000 0.000 0.295 82 V C -1.149 174.620 176.094 -0.543 0.000 1.029 82 V CA -0.692 61.226 62.300 -0.637 0.000 0.874 82 V CB 1.089 32.416 31.823 -0.827 0.000 0.985 82 V HN 0.574 nan 8.190 nan 0.000 0.438 83 Y N 3.750 123.975 120.300 -0.124 0.000 2.328 83 Y HA 0.437 4.987 4.550 -0.000 0.000 0.333 83 Y C -0.525 175.455 175.900 0.134 0.000 0.958 83 Y CA -0.874 57.290 58.100 0.106 0.000 1.167 83 Y CB 1.353 39.827 38.460 0.024 0.000 1.151 83 Y HN 0.630 nan 8.280 nan 0.000 0.470 84 Y N 4.956 125.448 120.300 0.320 0.000 2.518 84 Y HA 0.422 4.972 4.550 -0.000 0.000 0.344 84 Y C -0.982 175.213 175.900 0.492 0.000 0.982 84 Y CA -1.048 57.255 58.100 0.339 0.000 1.234 84 Y CB 0.414 39.082 38.460 0.346 0.000 1.114 84 Y HN 0.572 nan 8.280 nan 0.000 0.515 85 L N 5.463 126.770 121.223 0.141 0.000 2.260 85 L HA 0.547 4.887 4.340 -0.000 0.000 0.289 85 L C -0.531 176.404 176.870 0.108 0.000 1.057 85 L CA 0.191 55.168 54.840 0.230 0.000 0.811 85 L CB 0.680 42.837 42.059 0.164 0.000 1.184 85 L HN 0.537 nan 8.230 nan 0.000 0.429 86 S N 4.519 120.381 115.700 0.270 0.000 2.537 86 S HA 0.430 4.899 4.470 -0.000 0.000 0.270 86 S C 0.244 175.003 174.600 0.266 0.000 1.142 86 S CA -0.757 57.524 58.200 0.136 0.000 0.870 86 S CB 1.008 64.113 63.200 -0.158 0.000 1.112 86 S HN 0.566 nan 8.310 nan 0.000 0.466 87 L N 2.438 123.821 121.223 0.266 0.000 2.599 87 L HA 0.352 4.692 4.340 -0.000 0.000 0.230 87 L C 0.301 177.391 176.870 0.368 0.000 1.141 87 L CA 1.181 56.228 54.840 0.346 0.000 0.877 87 L CB -0.963 41.291 42.059 0.324 0.000 1.009 87 L HN 0.709 nan 8.230 nan 0.000 0.447 88 E N -0.924 119.377 120.200 0.168 0.000 2.272 88 E HA 0.419 4.769 4.350 -0.000 0.000 0.269 88 E C -1.503 174.976 176.600 -0.201 0.000 0.877 88 E CA -0.444 56.016 56.400 0.101 0.000 0.755 88 E CB 2.152 31.863 29.700 0.018 0.000 1.192 88 E HN -0.159 nan 8.360 nan 0.000 0.422 89 F N 2.079 122.148 119.950 0.197 0.000 3.034 89 F HA 0.145 4.672 4.527 -0.000 0.000 0.371 89 F C -0.946 174.958 175.800 0.173 0.000 1.233 89 F CA -0.730 57.377 58.000 0.178 0.000 1.134 89 F CB 0.953 40.052 39.000 0.166 0.000 1.495 89 F HN 0.490 nan 8.300 nan 0.000 0.563 90 Y N 5.214 125.575 120.300 0.101 0.000 2.636 90 Y HA 0.214 4.764 4.550 -0.000 0.000 0.334 90 Y C 0.990 176.914 175.900 0.040 0.000 1.286 90 Y CA -0.917 57.201 58.100 0.029 0.000 1.688 90 Y CB 0.310 38.767 38.460 -0.004 0.000 1.662 90 Y HN 0.525 nan 8.280 nan 0.000 0.465 91 M N 1.239 120.941 119.600 0.169 0.000 2.419 91 M HA 0.108 4.588 4.480 -0.000 0.000 0.264 91 M C 1.540 177.794 176.300 -0.076 0.000 1.082 91 M CA 0.974 56.299 55.300 0.042 0.000 1.119 91 M CB -1.163 31.464 32.600 0.044 0.000 1.398 91 M HN 0.660 nan 8.290 nan 0.000 0.453 92 G N 1.441 110.172 108.800 -0.115 0.000 2.569 92 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.259 92 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.259 92 G C -0.231 174.604 174.900 -0.108 0.000 1.263 92 G CA -0.316 44.686 45.100 -0.163 0.000 0.928 92 G HN 0.445 nan 8.290 nan 0.000 0.572 93 R N -0.915 119.511 120.500 -0.124 0.000 2.528 93 R HA 0.598 4.938 4.340 -0.000 0.000 0.271 93 R C 1.070 177.264 176.300 -0.177 0.000 1.056 93 R CA 0.158 56.209 56.100 -0.082 0.000 1.117 93 R CB 0.855 31.120 30.300 -0.058 0.000 1.085 93 R HN 0.529 nan 8.270 nan 0.000 0.530 94 T N 0.827 115.228 114.554 -0.255 0.000 2.999 94 T HA 0.070 4.420 4.350 -0.000 0.000 0.247 94 T C 1.663 175.978 174.700 -0.643 0.000 1.012 94 T CA -0.217 61.524 62.100 -0.599 0.000 1.048 94 T CB 0.158 68.318 68.868 -1.180 0.000 1.020 94 T HN 0.373 nan 8.240 nan 0.000 0.478 95 L N 1.329 122.382 121.223 -0.284 0.000 1.963 95 L HA -0.240 4.099 4.340 -0.000 0.000 0.220 95 L C 2.678 179.512 176.870 -0.060 0.000 1.076 95 L CA 1.936 56.781 54.840 0.009 0.000 0.772 95 L CB -0.390 41.913 42.059 0.407 0.000 0.892 95 L HN 0.325 nan 8.230 nan 0.000 0.435 96 Q N -0.543 119.232 119.800 -0.041 0.000 2.061 96 Q HA -0.291 4.049 4.340 -0.000 0.000 0.204 96 Q C 1.937 177.866 176.000 -0.117 0.000 0.984 96 Q CA 2.261 58.028 55.803 -0.061 0.000 0.846 96 Q CB -0.108 28.590 28.738 -0.066 0.000 0.902 96 Q HN 0.514 nan 8.270 nan 0.000 0.421 97 N N -0.724 117.868 118.700 -0.180 0.000 2.094 97 N HA -0.150 4.590 4.740 -0.000 0.000 0.191 97 N C 1.494 176.898 175.510 -0.175 0.000 1.023 97 N CA 2.075 55.009 53.050 -0.192 0.000 0.857 97 N CB -0.093 38.249 38.487 -0.242 0.000 1.013 97 N HN 0.118 nan 8.380 nan 0.000 0.426 98 T N 0.249 114.660 114.554 -0.239 0.000 2.737 98 T HA -0.063 4.287 4.350 -0.000 0.000 0.265 98 T C 1.917 176.546 174.700 -0.117 0.000 1.038 98 T CA 1.217 63.188 62.100 -0.214 0.000 1.144 98 T CB -0.183 68.489 68.868 -0.327 0.000 0.866 98 T HN 0.249 nan 8.240 nan 0.000 0.434 99 M N 0.342 119.891 119.600 -0.086 0.000 2.108 99 M HA -0.048 4.432 4.480 -0.000 0.000 0.261 99 M C 2.244 178.507 176.300 -0.061 0.000 1.066 99 M CA 1.680 56.945 55.300 -0.058 0.000 1.107 99 M CB -0.610 31.974 32.600 -0.027 0.000 1.356 99 M HN 0.233 nan 8.290 nan 0.000 0.406 100 I N 0.239 120.781 120.570 -0.047 0.000 2.202 100 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 100 I C 1.717 177.847 176.117 0.021 0.000 1.091 100 I CA 1.222 62.521 61.300 -0.001 0.000 1.368 100 I CB -0.593 37.413 38.000 0.011 0.000 1.058 100 I HN 0.309 nan 8.210 nan 0.000 0.410 101 N N 0.429 119.136 118.700 0.012 0.000 2.453 101 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 101 N C 1.180 176.596 175.510 -0.158 0.000 1.041 101 N CA 0.846 53.893 53.050 -0.005 0.000 0.900 101 N CB -0.031 38.464 38.487 0.013 0.000 0.961 101 N HN 0.159 nan 8.380 nan 0.000 0.443 102 L N -0.737 120.408 121.223 -0.129 0.000 2.640 102 L HA 0.349 4.689 4.340 -0.000 0.000 0.230 102 L C 1.066 177.846 176.870 -0.150 0.000 1.123 102 L CA 0.026 54.785 54.840 -0.135 0.000 0.900 102 L CB -0.696 41.304 42.059 -0.099 0.000 1.146 102 L HN 0.205 nan 8.230 nan 0.000 0.484 103 G N -0.085 108.622 108.800 -0.155 0.000 2.249 103 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 103 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 103 G C 0.741 175.577 174.900 -0.107 0.000 1.036 103 G CA 0.568 45.590 45.100 -0.130 0.000 0.824 103 G HN 0.259 nan 8.290 nan 0.000 0.504 104 L N -0.533 120.623 121.223 -0.110 0.000 2.638 104 L HA 0.302 4.642 4.340 -0.000 0.000 0.232 104 L C 2.516 179.343 176.870 -0.073 0.000 1.099 104 L CA 1.654 56.421 54.840 -0.121 0.000 0.883 104 L CB -0.238 41.704 42.059 -0.195 0.000 1.136 104 L HN 0.490 nan 8.230 nan 0.000 0.492 105 Q N 0.024 119.793 119.800 -0.050 0.000 2.045 105 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 105 Q C 1.819 177.805 176.000 -0.023 0.000 0.991 105 Q CA 2.161 57.947 55.803 -0.028 0.000 0.851 105 Q CB 0.114 28.839 28.738 -0.022 0.000 0.911 105 Q HN 0.486 nan 8.270 nan 0.000 0.418 106 N N -0.265 118.419 118.700 -0.026 0.000 2.120 106 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 106 N C 1.649 177.147 175.510 -0.020 0.000 1.024 106 N CA 1.357 54.393 53.050 -0.023 0.000 0.852 106 N CB -0.321 38.152 38.487 -0.023 0.000 1.003 106 N HN 0.366 nan 8.380 nan 0.000 0.424 107 A N 0.764 123.570 122.820 -0.023 0.000 1.902 107 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 107 A C 2.709 180.289 177.584 -0.007 0.000 1.181 107 A CA 1.115 53.144 52.037 -0.014 0.000 0.623 107 A CB -0.922 18.066 19.000 -0.021 0.000 0.818 107 A HN 0.419 nan 8.150 nan 0.000 0.443 108 C N -0.567 118.726 119.300 -0.011 0.000 2.440 108 C HA -0.071 4.389 4.460 -0.000 0.000 0.278 108 C C 2.358 177.348 174.990 0.001 0.000 1.295 108 C CA 1.078 60.098 59.018 0.003 0.000 1.738 108 C CB -1.260 26.490 27.740 0.016 0.000 1.987 108 C HN 0.634 nan 8.230 nan 0.000 0.492 109 D N 0.559 120.959 120.400 -0.000 0.000 2.104 109 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 109 D C 2.287 178.599 176.300 0.020 0.000 0.994 109 D CA 1.092 55.093 54.000 0.002 0.000 0.830 109 D CB -0.360 40.430 40.800 -0.016 0.000 0.959 109 D HN 0.388 nan 8.370 nan 0.000 0.452 110 E N 0.286 120.497 120.200 0.018 0.000 2.051 110 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 110 E C 2.069 178.713 176.600 0.074 0.000 0.991 110 E CA 0.980 57.418 56.400 0.062 0.000 0.799 110 E CB -0.387 29.335 29.700 0.037 0.000 0.748 110 E HN 0.203 nan 8.360 nan 0.000 0.449 111 A N 1.640 124.467 122.820 0.012 0.000 1.873 111 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 111 A C 2.242 179.753 177.584 -0.123 0.000 1.193 111 A CA 1.631 53.644 52.037 -0.041 0.000 0.629 111 A CB -0.670 18.307 19.000 -0.038 0.000 0.826 111 A HN 0.222 nan 8.150 nan 0.000 0.447 112 I N -1.510 118.976 120.570 -0.139 0.000 2.163 112 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 112 I C 2.440 178.478 176.117 -0.132 0.000 1.085 112 I CA 1.791 62.953 61.300 -0.231 0.000 1.347 112 I CB -1.539 36.373 38.000 -0.146 0.000 1.044 112 I HN 0.598 nan 8.210 nan 0.000 0.408 113 Y N 2.091 122.310 120.300 -0.135 0.000 2.165 113 Y HA -0.275 4.275 4.550 -0.000 0.000 0.286 113 Y C 2.690 178.528 175.900 -0.102 0.000 1.155 113 Y CA 1.873 59.913 58.100 -0.101 0.000 1.164 113 Y CB -0.490 37.930 38.460 -0.066 0.000 0.978 113 Y HN 0.249 nan 8.280 nan 0.000 0.513 114 Q N -0.237 119.452 119.800 -0.185 0.000 2.224 114 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 114 Q C 1.976 177.821 176.000 -0.259 0.000 0.970 114 Q CA 1.294 56.937 55.803 -0.266 0.000 0.865 114 Q CB -0.114 28.565 28.738 -0.097 0.000 0.922 114 Q HN 0.517 nan 8.270 nan 0.000 0.445 115 L N -0.750 120.320 121.223 -0.254 0.000 2.610 115 L HA 0.075 4.415 4.340 -0.000 0.000 0.232 115 L C 1.005 177.721 176.870 -0.258 0.000 1.149 115 L CA 0.395 55.082 54.840 -0.256 0.000 0.872 115 L CB -0.042 41.784 42.059 -0.388 0.000 0.992 115 L HN 0.391 nan 8.230 nan 0.000 0.447 116 G N 0.231 108.858 108.800 -0.288 0.000 2.137 116 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.237 116 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.237 116 G C -0.038 174.741 174.900 -0.202 0.000 1.002 116 G CA 0.029 44.980 45.100 -0.248 0.000 0.702 116 G HN 0.244 nan 8.290 nan 0.000 0.515 117 L N -0.730 120.367 121.223 -0.211 0.000 2.271 117 L HA 0.755 5.095 4.340 -0.000 0.000 0.265 117 L C -0.529 176.307 176.870 -0.057 0.000 1.013 117 L CA -1.159 53.578 54.840 -0.172 0.000 0.820 117 L CB 1.710 43.591 42.059 -0.296 0.000 1.352 117 L HN 0.080 nan 8.230 nan 0.000 0.443 118 D N 0.406 120.797 120.400 -0.015 0.000 2.453 118 D HA 0.224 4.864 4.640 -0.000 0.000 0.238 118 D C 0.564 176.890 176.300 0.042 0.000 1.088 118 D CA -0.286 53.735 54.000 0.035 0.000 0.854 118 D CB 1.411 42.238 40.800 0.045 0.000 1.076 118 D HN 0.488 nan 8.370 nan 0.000 0.533 119 I N 3.101 123.696 120.570 0.042 0.000 2.315 119 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 119 I C 1.949 178.115 176.117 0.080 0.000 1.125 119 I CA 1.353 62.691 61.300 0.063 0.000 1.392 119 I CB 0.206 38.235 38.000 0.048 0.000 1.065 119 I HN 0.593 nan 8.210 nan 0.000 0.424 120 E N 0.599 120.836 120.200 0.061 0.000 2.150 120 E HA -0.308 4.042 4.350 -0.000 0.000 0.193 120 E C 2.027 178.668 176.600 0.068 0.000 0.985 120 E CA 1.323 57.758 56.400 0.059 0.000 0.814 120 E CB -0.220 29.508 29.700 0.046 0.000 0.752 120 E HN 0.651 nan 8.360 nan 0.000 0.466 121 E N 0.609 120.852 120.200 0.071 0.000 2.107 121 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 121 E C 2.241 178.894 176.600 0.089 0.000 0.982 121 E CA 0.647 57.090 56.400 0.073 0.000 0.809 121 E CB 0.002 29.743 29.700 0.069 0.000 0.756 121 E HN 0.373 nan 8.360 nan 0.000 0.459 122 L N 0.635 121.935 121.223 0.129 0.000 2.093 122 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 122 L C 2.359 179.347 176.870 0.195 0.000 1.085 122 L CA 1.270 56.233 54.840 0.206 0.000 0.755 122 L CB -0.476 41.752 42.059 0.281 0.000 0.904 122 L HN 0.166 nan 8.230 nan 0.000 0.435 123 E N -0.008 120.290 120.200 0.163 0.000 2.160 123 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 123 E C 1.996 178.590 176.600 -0.009 0.000 0.991 123 E CA 0.845 57.319 56.400 0.122 0.000 0.810 123 E CB 0.055 29.813 29.700 0.098 0.000 0.742 123 E HN 0.359 nan 8.360 nan 0.000 0.466 124 E N 0.333 120.530 120.200 -0.004 0.000 2.338 124 E HA -0.127 4.223 4.350 -0.000 0.000 0.197 124 E C 1.853 178.397 176.600 -0.093 0.000 1.007 124 E CA 0.397 56.783 56.400 -0.023 0.000 0.849 124 E CB 0.080 29.797 29.700 0.028 0.000 0.774 124 E HN 0.306 nan 8.360 nan 0.000 0.506 125 I N 1.018 121.472 120.570 -0.192 0.000 2.394 125 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 125 I C 1.348 177.205 176.117 -0.434 0.000 1.136 125 I CA 0.460 61.579 61.300 -0.302 0.000 1.425 125 I CB -0.753 37.014 38.000 -0.387 0.000 1.079 125 I HN 0.134 nan 8.210 nan 0.000 0.425 126 E N 2.670 122.476 120.200 -0.657 0.000 2.415 126 E HA -0.069 4.281 4.350 -0.000 0.000 0.263 126 E C -0.129 176.426 176.600 -0.075 0.000 0.995 126 E CA -0.097 56.023 56.400 -0.466 0.000 0.915 126 E CB 0.658 30.176 29.700 -0.304 0.000 0.951 126 E HN 0.118 nan 8.360 nan 0.000 0.449 127 E N 3.554 123.808 120.200 0.090 0.000 2.343 127 E HA 0.095 4.445 4.350 -0.000 0.000 0.269 127 E C -0.760 175.948 176.600 0.180 0.000 1.047 127 E CA -0.290 56.216 56.400 0.177 0.000 0.874 127 E CB 0.762 30.649 29.700 0.311 0.000 1.033 127 E HN 0.505 nan 8.360 nan 0.000 0.409 128 D N 0.459 120.921 120.400 0.104 0.000 2.372 128 D HA 0.225 4.865 4.640 -0.000 0.000 0.243 128 D C -0.375 175.914 176.300 -0.017 0.000 1.121 128 D CA 0.009 54.025 54.000 0.028 0.000 0.898 128 D CB 0.698 41.481 40.800 -0.028 0.000 1.202 128 D HN 0.386 nan 8.370 nan 0.000 0.428 129 A N 1.889 124.641 122.820 -0.114 0.000 2.923 129 A HA 0.476 4.795 4.320 -0.000 0.000 0.306 129 A C 0.933 178.321 177.584 -0.327 0.000 1.542 129 A CA -0.537 51.196 52.037 -0.508 0.000 1.225 129 A CB -0.404 18.411 19.000 -0.307 0.000 1.147 129 A HN 0.519 nan 8.150 nan 0.000 0.542 130 G N 1.629 110.244 108.800 -0.308 0.000 3.401 130 G HA2 0.397 4.357 3.960 -0.000 0.000 0.251 130 G HA3 0.397 4.357 3.960 -0.000 0.000 0.251 130 G C 0.319 175.134 174.900 -0.141 0.000 0.960 130 G CA -0.268 44.815 45.100 -0.028 0.000 1.900 130 G HN 0.687 nan 8.290 nan 0.000 0.645 131 L N 1.367 122.535 121.223 -0.093 0.000 2.862 131 L HA 0.389 4.729 4.340 -0.000 0.000 0.240 131 L C 1.091 177.962 176.870 0.002 0.000 1.283 131 L CA -0.259 54.587 54.840 0.010 0.000 1.117 131 L CB -0.314 41.848 42.059 0.173 0.000 1.444 131 L HN 0.343 nan 8.230 nan 0.000 0.456 132 G N -1.306 107.315 108.800 -0.299 0.000 2.649 132 G HA2 0.212 4.172 3.960 -0.000 0.000 0.290 132 G HA3 0.212 4.172 3.960 -0.000 0.000 0.290 132 G C -0.164 174.208 174.900 -0.880 0.000 1.426 132 G CA -0.438 44.359 45.100 -0.505 0.000 0.794 132 G HN -0.084 nan 8.290 nan 0.000 0.483 133 N N -0.873 117.469 118.700 -0.596 0.000 2.439 133 N HA 0.225 4.965 4.740 -0.000 0.000 0.176 133 N C 1.078 176.392 175.510 -0.328 0.000 1.029 133 N CA 1.236 54.036 53.050 -0.415 0.000 0.886 133 N CB 1.330 39.744 38.487 -0.123 0.000 1.057 133 N HN 0.827 nan 8.380 nan 0.000 0.437 134 G N -0.745 107.933 108.800 -0.204 0.000 2.637 134 G HA2 0.226 4.186 3.960 -0.000 0.000 0.112 134 G HA3 0.226 4.186 3.960 -0.000 0.000 0.112 134 G C 0.687 175.690 174.900 0.171 0.000 1.181 134 G CA 0.185 45.370 45.100 0.142 0.000 1.150 134 G HN 0.122 nan 8.290 nan 0.000 0.561 135 G N 0.331 109.190 108.800 0.099 0.000 2.476 135 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 135 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 135 G C 1.892 176.772 174.900 -0.034 0.000 1.164 135 G CA 1.537 46.654 45.100 0.029 0.000 0.768 135 G HN 0.778 nan 8.290 nan 0.000 0.560 136 L N 0.588 121.764 121.223 -0.079 0.000 2.042 136 L HA 0.018 4.358 4.340 -0.000 0.000 0.210 136 L C 2.843 179.620 176.870 -0.154 0.000 1.076 136 L CA 2.010 56.716 54.840 -0.222 0.000 0.749 136 L CB -0.508 41.402 42.059 -0.249 0.000 0.893 136 L HN 0.266 nan 8.230 nan 0.000 0.432 137 G N -0.979 107.780 108.800 -0.068 0.000 2.421 137 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 137 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 137 G C 1.617 176.561 174.900 0.073 0.000 1.143 137 G CA 0.547 45.626 45.100 -0.034 0.000 0.784 137 G HN 0.267 nan 8.290 nan 0.000 0.541 138 R N -0.001 120.590 120.500 0.151 0.000 2.148 138 R HA 0.154 4.494 4.340 -0.000 0.000 0.223 138 R C 2.244 178.530 176.300 -0.024 0.000 1.088 138 R CA 0.654 56.829 56.100 0.125 0.000 0.985 138 R CB -0.773 29.588 30.300 0.102 0.000 0.880 138 R HN 0.328 nan 8.270 nan 0.000 0.451 139 L N 0.122 121.255 121.223 -0.151 0.000 2.046 139 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 139 L C 2.052 178.561 176.870 -0.601 0.000 1.077 139 L CA 2.162 56.757 54.840 -0.408 0.000 0.747 139 L CB -0.888 40.914 42.059 -0.429 0.000 0.896 139 L HN 0.224 nan 8.230 nan 0.000 0.432 140 A N -0.430 122.174 122.820 -0.361 0.000 1.908 140 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 140 A C 2.455 180.041 177.584 0.003 0.000 1.181 140 A CA 1.992 53.864 52.037 -0.274 0.000 0.627 140 A CB -1.233 17.561 19.000 -0.344 0.000 0.818 140 A HN 0.586 nan 8.150 nan 0.000 0.445 141 A N -1.087 121.788 122.820 0.091 0.000 1.902 141 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 141 A C 2.316 179.987 177.584 0.145 0.000 1.181 141 A CA 1.685 53.839 52.037 0.195 0.000 0.623 141 A CB -1.287 17.819 19.000 0.177 0.000 0.818 141 A HN 0.606 nan 8.150 nan 0.000 0.443 142 C N -1.505 117.866 119.300 0.119 0.000 2.425 142 C HA -0.057 4.403 4.460 -0.000 0.000 0.277 142 C C 2.411 177.565 174.990 0.273 0.000 1.280 142 C CA 0.560 59.690 59.018 0.187 0.000 1.744 142 C CB -1.628 26.230 27.740 0.197 0.000 1.989 142 C HN 0.606 nan 8.230 nan 0.000 0.491 143 F N 1.199 121.132 119.950 -0.029 0.000 2.126 143 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 143 F C 2.237 178.003 175.800 -0.058 0.000 1.096 143 F CA 1.074 59.012 58.000 -0.104 0.000 1.255 143 F CB -1.298 37.486 39.000 -0.360 0.000 0.997 143 F HN 0.206 nan 8.300 nan 0.000 0.479 144 L N -0.575 120.758 121.223 0.184 0.000 2.056 144 L HA -0.225 4.115 4.340 -0.000 0.000 0.207 144 L C 2.122 179.032 176.870 0.067 0.000 1.078 144 L CA 1.871 56.778 54.840 0.112 0.000 0.749 144 L CB -0.756 41.380 42.059 0.128 0.000 0.901 144 L HN 0.092 nan 8.230 nan 0.000 0.433 145 D N -0.463 119.983 120.400 0.077 0.000 2.117 145 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 145 D C 2.232 178.564 176.300 0.054 0.000 0.987 145 D CA 1.360 55.387 54.000 0.044 0.000 0.829 145 D CB 0.244 41.066 40.800 0.036 0.000 0.961 145 D HN 0.053 nan 8.370 nan 0.000 0.460 146 S N -0.750 114.998 115.700 0.080 0.000 2.368 146 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 146 S C 1.979 176.602 174.600 0.039 0.000 1.029 146 S CA 0.887 59.124 58.200 0.061 0.000 0.988 146 S CB -0.200 63.043 63.200 0.071 0.000 0.838 146 S HN 0.342 nan 8.310 nan 0.000 0.462 147 M N 0.842 120.460 119.600 0.030 0.000 2.159 147 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 147 M C 2.407 178.720 176.300 0.022 0.000 1.063 147 M CA 1.375 56.687 55.300 0.020 0.000 1.110 147 M CB -0.476 32.121 32.600 -0.005 0.000 1.374 147 M HN 0.383 nan 8.290 nan 0.000 0.411 148 A N -0.356 122.476 122.820 0.021 0.000 1.929 148 A HA -0.091 4.228 4.320 -0.000 0.000 0.216 148 A C 2.158 179.765 177.584 0.038 0.000 1.176 148 A CA 1.799 53.850 52.037 0.024 0.000 0.628 148 A CB -0.913 18.086 19.000 -0.002 0.000 0.816 148 A HN 0.407 nan 8.150 nan 0.000 0.444 149 T N 0.110 114.692 114.554 0.046 0.000 2.867 149 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 149 T C 1.337 176.071 174.700 0.058 0.000 1.057 149 T CA 1.138 63.277 62.100 0.065 0.000 1.136 149 T CB -0.204 68.714 68.868 0.082 0.000 0.874 149 T HN 0.209 nan 8.240 nan 0.000 0.466 150 L N 0.482 121.735 121.223 0.050 0.000 2.599 150 L HA 0.334 4.674 4.340 -0.000 0.000 0.230 150 L C 1.821 178.723 176.870 0.054 0.000 1.141 150 L CA 0.542 55.411 54.840 0.048 0.000 0.877 150 L CB -0.942 41.144 42.059 0.046 0.000 1.009 150 L HN 0.424 nan 8.230 nan 0.000 0.447 151 G N -0.241 108.595 108.800 0.061 0.000 2.176 151 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 151 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 151 G C 0.252 175.209 174.900 0.096 0.000 1.024 151 G CA 0.156 45.308 45.100 0.086 0.000 0.755 151 G HN 0.283 nan 8.290 nan 0.000 0.507 152 L N -0.167 121.084 121.223 0.046 0.000 2.375 152 L HA 0.631 4.971 4.340 -0.000 0.000 0.271 152 L C 1.221 177.990 176.870 -0.169 0.000 1.107 152 L CA -0.345 54.477 54.840 -0.029 0.000 0.806 152 L CB 1.444 43.492 42.059 -0.019 0.000 1.146 152 L HN 0.261 nan 8.230 nan 0.000 0.447 153 A N 2.545 125.107 122.820 -0.430 0.000 2.990 153 A HA 0.581 4.901 4.320 -0.000 0.000 0.282 153 A C 0.215 177.433 177.584 -0.609 0.000 1.688 153 A CA -0.157 51.257 52.037 -1.039 0.000 1.391 153 A CB -0.667 17.585 19.000 -1.246 0.000 1.112 153 A HN 0.707 nan 8.150 nan 0.000 0.588 154 A N 1.697 124.222 122.820 -0.492 0.000 2.355 154 A HA 0.818 5.138 4.320 -0.000 0.000 0.324 154 A C -1.065 176.256 177.584 -0.439 0.000 1.117 154 A CA -0.475 51.347 52.037 -0.359 0.000 0.785 154 A CB 0.893 19.760 19.000 -0.222 0.000 1.254 154 A HN 0.625 nan 8.150 nan 0.000 0.453 155 Y N 0.088 120.357 120.300 -0.053 0.000 2.462 155 Y HA 0.580 5.130 4.550 -0.000 0.000 0.346 155 Y C 0.806 176.851 175.900 0.241 0.000 0.976 155 Y CA -0.567 57.601 58.100 0.113 0.000 1.044 155 Y CB 2.580 41.223 38.460 0.305 0.000 1.230 155 Y HN 0.840 nan 8.280 nan 0.000 0.455 156 G N 1.527 110.472 108.800 0.241 0.000 2.343 156 G HA2 0.508 4.468 3.960 -0.000 0.000 0.319 156 G HA3 0.508 4.468 3.960 -0.000 0.000 0.319 156 G C -1.986 172.963 174.900 0.083 0.000 1.126 156 G CA -0.406 44.859 45.100 0.275 0.000 0.889 156 G HN 0.520 nan 8.290 nan 0.000 0.457 157 Y N 1.178 121.697 120.300 0.364 0.000 2.326 157 Y HA 0.605 5.154 4.550 -0.000 0.000 0.331 157 Y C 0.751 176.936 175.900 0.476 0.000 0.962 157 Y CA 0.064 58.348 58.100 0.307 0.000 1.167 157 Y CB 2.483 41.143 38.460 0.334 0.000 1.148 157 Y HN 0.854 nan 8.280 nan 0.000 0.463 158 G N 2.529 111.615 108.800 0.476 0.000 2.947 158 G HA2 0.642 4.602 3.960 -0.000 0.000 0.293 158 G HA3 0.642 4.602 3.960 -0.000 0.000 0.293 158 G C -1.619 173.510 174.900 0.381 0.000 1.243 158 G CA -0.823 44.609 45.100 0.553 0.000 0.802 158 G HN 0.404 nan 8.290 nan 0.000 0.560 159 I N 0.596 121.295 120.570 0.216 0.000 2.404 159 I HA 0.399 4.569 4.170 -0.000 0.000 0.293 159 I C 0.302 176.337 176.117 -0.137 0.000 0.992 159 I CA -0.688 60.621 61.300 0.014 0.000 1.149 159 I CB 2.198 39.996 38.000 -0.338 0.000 1.315 159 I HN 0.362 nan 8.210 nan 0.000 0.446 160 R N 6.405 126.933 120.500 0.048 0.000 2.891 160 R HA 0.196 4.536 4.340 -0.000 0.000 0.248 160 R C -1.143 175.236 176.300 0.130 0.000 1.439 160 R CA -0.431 55.736 56.100 0.112 0.000 1.288 160 R CB -0.164 30.180 30.300 0.074 0.000 1.212 160 R HN 0.386 nan 8.270 nan 0.000 0.605 161 Y N 1.235 121.718 120.300 0.305 0.000 2.610 161 Y HA -0.110 4.440 4.550 -0.000 0.000 0.332 161 Y C 1.572 177.682 175.900 0.350 0.000 1.201 161 Y CA 0.232 58.499 58.100 0.280 0.000 1.465 161 Y CB 0.674 39.272 38.460 0.231 0.000 1.283 161 Y HN 0.560 nan 8.280 nan 0.000 0.563 162 E N 1.932 122.340 120.200 0.346 0.000 2.152 162 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 162 E C -0.814 175.735 176.600 -0.085 0.000 0.983 162 E CA 0.787 57.209 56.400 0.036 0.000 0.818 162 E CB 0.188 29.833 29.700 -0.092 0.000 0.758 162 E HN 0.633 nan 8.360 nan 0.000 0.467 163 Y N -0.907 119.617 120.300 0.373 0.000 2.361 163 Y HA 0.479 5.029 4.550 -0.000 0.000 0.337 163 Y C 0.662 176.664 175.900 0.171 0.000 0.965 163 Y CA -0.759 57.518 58.100 0.296 0.000 1.091 163 Y CB 1.993 40.549 38.460 0.159 0.000 1.182 163 Y HN -0.083 nan 8.280 nan 0.000 0.450 164 G N 1.618 110.522 108.800 0.175 0.000 2.582 164 G HA2 0.313 4.273 3.960 -0.000 0.000 0.232 164 G HA3 0.313 4.273 3.960 -0.000 0.000 0.232 164 G C -0.666 174.205 174.900 -0.049 0.000 1.458 164 G CA -0.691 44.372 45.100 -0.062 0.000 1.062 164 G HN 0.586 nan 8.290 nan 0.000 0.566 165 I N 1.208 121.688 120.570 -0.150 0.000 2.668 165 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 165 I C 0.607 176.624 176.117 -0.166 0.000 1.168 165 I CA -1.259 59.916 61.300 -0.207 0.000 1.424 165 I CB -0.524 37.275 38.000 -0.336 0.000 1.377 165 I HN 0.341 nan 8.210 nan 0.000 0.560 166 F N 6.326 126.287 119.950 0.020 0.000 2.650 166 F HA 0.143 4.670 4.527 -0.000 0.000 0.355 166 F C 0.516 176.364 175.800 0.080 0.000 1.163 166 F CA -0.332 57.699 58.000 0.052 0.000 1.374 166 F CB -0.269 38.747 39.000 0.027 0.000 1.065 166 F HN 0.451 nan 8.300 nan 0.000 0.616 167 N N 2.445 121.324 118.700 0.298 0.000 2.488 167 N HA 0.053 4.793 4.740 -0.000 0.000 0.274 167 N C -0.816 174.939 175.510 0.409 0.000 1.111 167 N CA -0.278 52.910 53.050 0.230 0.000 0.974 167 N CB 1.184 39.788 38.487 0.195 0.000 1.089 167 N HN 0.747 nan 8.380 nan 0.000 0.465 168 Q N 2.568 122.574 119.800 0.344 0.000 2.278 168 Q HA 0.188 4.528 4.340 -0.000 0.000 0.257 168 Q C -0.935 175.241 176.000 0.293 0.000 0.928 168 Q CA -0.388 55.675 55.803 0.433 0.000 0.932 168 Q CB 0.720 29.731 28.738 0.455 0.000 1.221 168 Q HN 0.246 nan 8.270 nan 0.000 0.434 169 K N 3.629 124.176 120.400 0.245 0.000 2.267 169 K HA 0.525 4.845 4.320 -0.000 0.000 0.246 169 K C -0.670 176.037 176.600 0.179 0.000 0.954 169 K CA -0.907 55.490 56.287 0.184 0.000 0.824 169 K CB 1.595 34.173 32.500 0.131 0.000 1.167 169 K HN 0.610 nan 8.250 nan 0.000 0.431 170 I N 2.784 123.452 120.570 0.163 0.000 2.355 170 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 170 I C -0.171 176.012 176.117 0.111 0.000 0.999 170 I CA -0.690 60.691 61.300 0.135 0.000 1.163 170 I CB 1.120 39.207 38.000 0.145 0.000 1.316 170 I HN 0.238 nan 8.210 nan 0.000 0.454 171 R N 4.033 124.608 120.500 0.124 0.000 2.439 171 R HA 0.227 4.567 4.340 -0.000 0.000 0.310 171 R C -0.274 176.133 176.300 0.178 0.000 0.955 171 R CA -0.701 55.473 56.100 0.122 0.000 0.853 171 R CB 0.991 31.353 30.300 0.103 0.000 1.171 171 R HN 0.656 nan 8.270 nan 0.000 0.449 172 D N 1.743 122.218 120.400 0.124 0.000 2.772 172 D HA -0.201 4.439 4.640 -0.000 0.000 0.233 172 D C 0.883 177.205 176.300 0.037 0.000 1.143 172 D CA 2.016 56.092 54.000 0.128 0.000 0.700 172 D CB -0.802 40.130 40.800 0.220 0.000 1.076 172 D HN 1.005 nan 8.370 nan 0.000 0.430 173 G N -2.446 106.327 108.800 -0.045 0.000 2.205 173 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.261 173 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.261 173 G C 0.191 174.886 174.900 -0.342 0.000 0.980 173 G CA 0.365 45.325 45.100 -0.233 0.000 0.632 173 G HN 0.355 nan 8.290 nan 0.000 0.533 174 W N 0.747 122.001 121.300 -0.077 0.000 2.578 174 W HA 0.680 5.339 4.660 -0.000 0.000 0.346 174 W C 0.571 177.038 176.519 -0.086 0.000 1.075 174 W CA -0.910 56.376 57.345 -0.098 0.000 1.233 174 W CB 0.786 30.204 29.460 -0.071 0.000 1.358 174 W HN 0.267 nan 8.180 nan 0.000 0.574 175 Q N 1.483 121.383 119.800 0.166 0.000 2.332 175 Q HA 0.432 4.772 4.340 -0.000 0.000 0.263 175 Q C -1.220 174.834 176.000 0.089 0.000 0.979 175 Q CA 0.062 55.934 55.803 0.116 0.000 0.885 175 Q CB 0.936 29.737 28.738 0.104 0.000 1.218 175 Q HN 0.463 nan 8.270 nan 0.000 0.405 176 V N 3.596 123.557 119.914 0.077 0.000 2.735 176 V HA 0.328 4.448 4.120 -0.000 0.000 0.310 176 V C -1.097 174.990 176.094 -0.012 0.000 1.061 176 V CA -0.841 61.465 62.300 0.010 0.000 0.913 176 V CB 2.193 34.039 31.823 0.038 0.000 1.005 176 V HN 0.875 nan 8.190 nan 0.000 0.428 177 E N 2.515 122.632 120.200 -0.139 0.000 2.191 177 E HA 0.594 4.944 4.350 -0.000 0.000 0.278 177 E C -0.830 175.760 176.600 -0.017 0.000 0.972 177 E CA -0.413 55.876 56.400 -0.185 0.000 0.804 177 E CB 1.663 30.989 29.700 -0.623 0.000 1.110 177 E HN 0.611 nan 8.360 nan 0.000 0.394 178 E N 1.032 121.308 120.200 0.126 0.000 2.222 178 E HA 0.552 4.902 4.350 -0.000 0.000 0.267 178 E C -0.954 175.742 176.600 0.160 0.000 0.884 178 E CA -1.218 55.249 56.400 0.111 0.000 0.764 178 E CB 1.948 31.722 29.700 0.124 0.000 1.169 178 E HN 0.586 nan 8.360 nan 0.000 0.413 179 A N 2.244 125.122 122.820 0.097 0.000 2.540 179 A HA -0.018 4.302 4.320 -0.000 0.000 0.239 179 A C 0.063 177.814 177.584 0.279 0.000 1.061 179 A CA 0.136 52.246 52.037 0.122 0.000 0.758 179 A CB -0.018 18.949 19.000 -0.056 0.000 0.991 179 A HN 0.617 nan 8.150 nan 0.000 0.502 180 D N 1.839 122.465 120.400 0.377 0.000 2.522 180 D HA 0.162 4.802 4.640 -0.000 0.000 0.218 180 D C -0.294 176.272 176.300 0.443 0.000 1.149 180 D CA -0.268 53.941 54.000 0.348 0.000 0.981 180 D CB 0.267 41.213 40.800 0.244 0.000 1.041 180 D HN 0.374 nan 8.370 nan 0.000 0.518 181 D N 3.444 124.058 120.400 0.357 0.000 2.885 181 D HA -0.058 4.582 4.640 -0.000 0.000 0.234 181 D C 1.234 177.562 176.300 0.046 0.000 1.129 181 D CA -0.452 53.617 54.000 0.116 0.000 0.991 181 D CB -0.274 40.608 40.800 0.136 0.000 1.137 181 D HN 0.570 nan 8.370 nan 0.000 0.459 182 W N 1.331 122.588 121.300 -0.072 0.000 2.387 182 W HA -0.116 4.544 4.660 -0.000 0.000 0.272 182 W C 0.171 176.670 176.519 -0.032 0.000 1.224 182 W CA 0.280 57.614 57.345 -0.018 0.000 1.210 182 W CB -0.764 28.717 29.460 0.035 0.000 1.125 182 W HN 0.194 nan 8.180 nan 0.000 0.572 183 L N 0.822 121.637 121.223 -0.681 0.000 2.607 183 L HA 0.169 4.509 4.340 -0.000 0.000 0.228 183 L C 2.756 179.390 176.870 -0.392 0.000 1.123 183 L CA 0.055 54.475 54.840 -0.699 0.000 0.890 183 L CB -0.684 40.854 42.059 -0.868 0.000 1.103 183 L HN -0.112 nan 8.230 nan 0.000 0.468 184 R N 0.925 121.191 120.500 -0.389 0.000 2.134 184 R HA -0.245 4.095 4.340 -0.000 0.000 0.248 184 R C 1.392 177.447 176.300 -0.408 0.000 1.143 184 R CA 2.255 58.072 56.100 -0.471 0.000 0.957 184 R CB -0.277 29.583 30.300 -0.734 0.000 0.867 184 R HN 0.390 nan 8.270 nan 0.000 0.441 185 Y N -0.777 119.553 120.300 0.051 0.000 2.457 185 Y HA 0.353 4.903 4.550 -0.000 0.000 0.263 185 Y C 0.728 176.685 175.900 0.095 0.000 1.164 185 Y CA -0.164 58.020 58.100 0.140 0.000 1.274 185 Y CB 1.185 39.823 38.460 0.297 0.000 1.097 185 Y HN 0.409 nan 8.280 nan 0.000 0.523 186 G N 1.522 110.359 108.800 0.062 0.000 2.617 186 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 186 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 186 G C -1.660 173.228 174.900 -0.020 0.000 1.214 186 G CA -1.042 44.013 45.100 -0.075 0.000 0.796 186 G HN 0.186 nan 8.290 nan 0.000 0.654 187 N N 1.729 120.365 118.700 -0.107 0.000 2.573 187 N HA 0.567 5.307 4.740 -0.000 0.000 0.262 187 N C -0.705 174.737 175.510 -0.113 0.000 1.029 187 N CA -1.998 51.036 53.050 -0.026 0.000 0.882 187 N CB 2.160 40.574 38.487 -0.122 0.000 1.204 187 N HN 0.242 nan 8.380 nan 0.000 0.519 188 P HA -0.007 nan 4.420 nan 0.000 0.226 188 P C 0.401 177.360 177.300 -0.568 0.000 1.153 188 P CA 0.716 63.464 63.100 -0.587 0.000 0.777 188 P CB 0.031 31.167 31.700 -0.941 0.000 0.794 189 W N 1.929 123.237 121.300 0.013 0.000 3.180 189 W HA 0.099 4.759 4.660 -0.000 0.000 0.254 189 W C 0.869 177.419 176.519 0.051 0.000 1.318 189 W CA -0.544 56.810 57.345 0.015 0.000 1.608 189 W CB -0.015 29.481 29.460 0.060 0.000 1.124 189 W HN 0.094 nan 8.180 nan 0.000 0.694 190 E N 0.776 121.103 120.200 0.212 0.000 2.227 190 E HA 0.528 4.878 4.350 -0.000 0.000 0.268 190 E C -0.971 175.772 176.600 0.239 0.000 0.907 190 E CA -1.215 55.336 56.400 0.251 0.000 0.786 190 E CB 1.875 31.718 29.700 0.239 0.000 1.191 190 E HN -0.299 nan 8.360 nan 0.000 0.411 191 K N 1.610 122.177 120.400 0.279 0.000 2.502 191 K HA 0.237 4.557 4.320 -0.000 0.000 0.254 191 K C -1.005 175.605 176.600 0.018 0.000 0.947 191 K CA -0.605 55.784 56.287 0.169 0.000 0.834 191 K CB 1.985 34.600 32.500 0.192 0.000 1.112 191 K HN 0.526 nan 8.250 nan 0.000 0.427 192 S N 3.500 119.118 115.700 -0.138 0.000 2.549 192 S HA 0.221 4.691 4.470 -0.000 0.000 0.286 192 S C -0.327 174.093 174.600 -0.301 0.000 1.314 192 S CA -0.220 57.656 58.200 -0.539 0.000 1.062 192 S CB 0.208 63.157 63.200 -0.418 0.000 0.865 192 S HN 0.493 nan 8.310 nan 0.000 0.498 193 R N 5.022 125.338 120.500 -0.306 0.000 2.651 193 R HA 0.262 4.602 4.340 -0.000 0.000 0.282 193 R C -2.312 173.926 176.300 -0.103 0.000 1.565 193 R CA -2.153 53.878 56.100 -0.115 0.000 1.661 193 R CB 0.267 30.598 30.300 0.052 0.000 1.189 193 R HN 0.452 nan 8.270 nan 0.000 0.621 194 P HA -0.235 nan 4.420 nan 0.000 0.214 194 P C 1.188 178.415 177.300 -0.122 0.000 1.163 194 P CA 1.285 64.319 63.100 -0.111 0.000 0.889 194 P CB 0.274 31.906 31.700 -0.113 0.000 0.790 195 E N -0.630 119.418 120.200 -0.253 0.000 2.455 195 E HA -0.177 4.173 4.350 -0.000 0.000 0.202 195 E C 0.570 176.898 176.600 -0.454 0.000 1.045 195 E CA 1.168 57.328 56.400 -0.399 0.000 0.872 195 E CB -0.945 28.409 29.700 -0.577 0.000 0.792 195 E HN 0.296 nan 8.360 nan 0.000 0.542 196 F N 0.582 120.535 119.950 0.005 0.000 2.668 196 F HA 0.365 4.892 4.527 -0.000 0.000 0.301 196 F C 0.997 176.900 175.800 0.172 0.000 1.106 196 F CA -0.716 57.326 58.000 0.071 0.000 1.289 196 F CB -0.051 38.978 39.000 0.048 0.000 1.006 196 F HN -0.101 nan 8.300 nan 0.000 0.535 197 M N 1.351 121.100 119.600 0.249 0.000 2.252 197 M HA 0.254 4.734 4.480 -0.000 0.000 0.321 197 M C -0.885 175.536 176.300 0.201 0.000 1.070 197 M CA 0.892 56.343 55.300 0.251 0.000 1.143 197 M CB 0.509 33.192 32.600 0.137 0.000 1.498 197 M HN 0.068 nan 8.290 nan 0.000 0.445 198 L N 5.046 126.350 121.223 0.135 0.000 2.466 198 L HA 0.625 4.965 4.340 -0.000 0.000 0.258 198 L C -2.448 174.379 176.870 -0.071 0.000 0.973 198 L CA -1.880 52.958 54.840 -0.004 0.000 0.826 198 L CB 2.518 44.495 42.059 -0.136 0.000 1.372 198 L HN 0.533 nan 8.230 nan 0.000 0.409 199 P HA 0.345 nan 4.420 nan 0.000 0.292 199 P C -1.261 175.874 177.300 -0.275 0.000 1.283 199 P CA -0.471 62.530 63.100 -0.165 0.000 0.835 199 P CB 2.313 33.908 31.700 -0.174 0.000 1.017 200 V N 3.822 123.556 119.914 -0.299 0.000 2.628 200 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 200 V C 0.255 176.042 176.094 -0.512 0.000 1.045 200 V CA -0.624 61.465 62.300 -0.351 0.000 0.905 200 V CB 1.487 33.172 31.823 -0.231 0.000 0.997 200 V HN 0.606 nan 8.190 nan 0.000 0.436 201 H N 3.415 122.241 119.070 -0.407 0.000 2.472 201 H HA 0.642 5.198 4.556 -0.000 0.000 0.338 201 H C -1.348 173.555 175.328 -0.708 0.000 1.133 201 H CA -0.193 55.519 56.048 -0.560 0.000 1.216 201 H CB 1.955 31.145 29.762 -0.952 0.000 1.497 201 H HN 0.471 nan 8.280 nan 0.000 0.500 202 F N -0.054 119.871 119.950 -0.041 0.000 2.613 202 F HA 0.233 4.760 4.527 -0.000 0.000 0.314 202 F C -0.022 175.824 175.800 0.076 0.000 1.075 202 F CA -0.565 57.427 58.000 -0.013 0.000 0.945 202 F CB 1.003 39.900 39.000 -0.173 0.000 1.310 202 F HN 0.630 nan 8.300 nan 0.000 0.467 203 Y N 0.232 120.802 120.300 0.450 0.000 2.896 203 Y HA -0.060 4.490 4.550 -0.000 0.000 0.466 203 Y C 1.436 177.563 175.900 0.378 0.000 1.196 203 Y CA 0.982 59.274 58.100 0.321 0.000 2.514 203 Y CB -1.737 36.843 38.460 0.200 0.000 1.231 203 Y HN 1.264 nan 8.280 nan 0.000 0.632 204 G N 0.485 109.546 108.800 0.436 0.000 2.645 204 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.239 204 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.239 204 G C -0.928 174.169 174.900 0.329 0.000 1.331 204 G CA 0.323 45.602 45.100 0.298 0.000 0.890 204 G HN 0.705 nan 8.290 nan 0.000 0.572 205 K N -1.727 118.852 120.400 0.299 0.000 2.495 205 K HA 0.707 5.027 4.320 -0.000 0.000 0.268 205 K C -0.789 175.930 176.600 0.198 0.000 1.008 205 K CA -0.832 55.578 56.287 0.206 0.000 0.882 205 K CB 2.683 35.252 32.500 0.116 0.000 1.443 205 K HN 0.573 nan 8.250 nan 0.000 0.447 206 V N 0.968 120.910 119.914 0.048 0.000 2.581 206 V HA 0.418 4.538 4.120 -0.000 0.000 0.303 206 V C -0.784 175.187 176.094 -0.206 0.000 1.041 206 V CA -0.685 61.562 62.300 -0.089 0.000 0.907 206 V CB 1.675 33.373 31.823 -0.207 0.000 0.994 206 V HN 0.672 nan 8.190 nan 0.000 0.442 207 E N 2.006 122.044 120.200 -0.270 0.000 2.218 207 E HA 0.413 4.763 4.350 -0.000 0.000 0.263 207 E C -1.259 175.145 176.600 -0.326 0.000 0.879 207 E CA -0.697 55.563 56.400 -0.233 0.000 0.762 207 E CB 1.146 30.800 29.700 -0.075 0.000 1.166 207 E HN 0.722 nan 8.360 nan 0.000 0.415 208 H N 2.776 121.855 119.070 0.015 0.000 2.702 208 H HA 0.119 4.675 4.556 -0.000 0.000 0.252 208 H C 0.436 175.770 175.328 0.010 0.000 1.493 208 H CA -0.189 55.864 56.048 0.008 0.000 1.273 208 H CB 0.011 29.771 29.762 -0.003 0.000 1.537 208 H HN 0.503 nan 8.280 nan 0.000 0.547 209 T N -0.790 113.807 114.554 0.073 0.000 2.770 209 T HA -0.012 4.338 4.350 -0.000 0.000 0.281 209 T C 1.353 176.086 174.700 0.055 0.000 0.981 209 T CA -0.825 61.306 62.100 0.052 0.000 0.955 209 T CB 0.810 69.697 68.868 0.030 0.000 1.060 209 T HN 0.461 nan 8.240 nan 0.000 0.531 210 N N -0.959 117.765 118.700 0.040 0.000 2.362 210 N HA 0.062 4.802 4.740 -0.000 0.000 0.204 210 N C 0.808 176.338 175.510 0.034 0.000 1.166 210 N CA 0.224 53.295 53.050 0.035 0.000 0.831 210 N CB -0.336 38.167 38.487 0.028 0.000 1.008 210 N HN 0.806 nan 8.380 nan 0.000 0.472 211 T N -4.803 109.773 114.554 0.037 0.000 3.231 211 T HA 0.587 4.937 4.350 -0.000 0.000 0.292 211 T C 0.578 175.303 174.700 0.042 0.000 1.001 211 T CA -0.182 61.939 62.100 0.036 0.000 0.920 211 T CB 0.027 68.913 68.868 0.030 0.000 1.140 211 T HN 0.449 nan 8.240 nan 0.000 0.525 212 G N 1.038 109.868 108.800 0.050 0.000 2.497 212 G HA2 0.194 4.154 3.960 -0.000 0.000 0.686 212 G HA3 0.194 4.154 3.960 -0.000 0.000 0.686 212 G C -0.430 174.508 174.900 0.063 0.000 1.288 212 G CA -0.505 44.631 45.100 0.061 0.000 0.899 212 G HN 0.789 nan 8.290 nan 0.000 0.608 213 T N 0.391 114.994 114.554 0.082 0.000 2.884 213 T HA 0.574 4.924 4.350 -0.000 0.000 0.298 213 T C 0.058 174.760 174.700 0.003 0.000 0.998 213 T CA 0.027 62.156 62.100 0.049 0.000 1.124 213 T CB 0.380 69.335 68.868 0.144 0.000 0.931 213 T HN 0.640 nan 8.240 nan 0.000 0.531 214 K N 3.917 124.295 120.400 -0.036 0.000 2.270 214 K HA 0.295 4.615 4.320 -0.000 0.000 0.255 214 K C -1.154 175.488 176.600 0.070 0.000 0.936 214 K CA -0.709 55.586 56.287 0.013 0.000 0.809 214 K CB 1.449 33.952 32.500 0.004 0.000 1.131 214 K HN 0.735 nan 8.250 nan 0.000 0.427 215 W N 6.001 127.225 121.300 -0.126 0.000 2.278 215 W HA 0.403 5.063 4.660 -0.000 0.000 0.317 215 W C -0.563 175.889 176.519 -0.113 0.000 1.030 215 W CA -1.677 55.595 57.345 -0.121 0.000 1.334 215 W CB -0.225 29.155 29.460 -0.134 0.000 1.215 215 W HN 0.673 nan 8.180 nan 0.000 0.405 216 I N 1.700 122.336 120.570 0.110 0.000 3.264 216 I HA 0.537 4.707 4.170 -0.000 0.000 0.309 216 I C 0.062 176.170 176.117 -0.014 0.000 1.099 216 I CA -0.919 60.366 61.300 -0.025 0.000 0.989 216 I CB 1.845 39.850 38.000 0.009 0.000 1.250 216 I HN 0.203 nan 8.210 nan 0.000 0.478 217 D N 1.127 121.517 120.400 -0.016 0.000 2.737 217 D HA -0.161 4.479 4.640 -0.000 0.000 0.233 217 D C 0.244 176.560 176.300 0.027 0.000 1.155 217 D CA 1.333 55.344 54.000 0.017 0.000 0.667 217 D CB -1.530 39.296 40.800 0.044 0.000 1.060 217 D HN 0.959 nan 8.370 nan 0.000 0.427 218 T N -2.901 111.629 114.554 -0.041 0.000 2.874 218 T HA 0.408 4.758 4.350 -0.000 0.000 0.281 218 T C 0.397 175.146 174.700 0.082 0.000 0.994 218 T CA -0.826 61.259 62.100 -0.025 0.000 1.015 218 T CB 2.226 70.909 68.868 -0.308 0.000 1.028 218 T HN -0.130 nan 8.240 nan 0.000 0.523 219 Q N 0.801 120.708 119.800 0.179 0.000 2.243 219 Q HA 0.528 4.868 4.340 -0.000 0.000 0.252 219 Q C -0.735 175.351 176.000 0.144 0.000 0.909 219 Q CA -0.537 55.384 55.803 0.196 0.000 0.922 219 Q CB 1.842 30.782 28.738 0.335 0.000 1.215 219 Q HN 0.600 nan 8.270 nan 0.000 0.427 220 V N 2.584 122.534 119.914 0.059 0.000 2.513 220 V HA 0.530 4.650 4.120 -0.000 0.000 0.299 220 V C -0.245 175.881 176.094 0.053 0.000 1.035 220 V CA -0.674 61.594 62.300 -0.053 0.000 0.889 220 V CB 2.093 33.827 31.823 -0.148 0.000 0.988 220 V HN 0.476 nan 8.190 nan 0.000 0.440 221 V N 5.741 125.713 119.914 0.096 0.000 2.638 221 V HA 0.473 4.593 4.120 -0.000 0.000 0.306 221 V C -0.251 175.937 176.094 0.158 0.000 1.052 221 V CA -0.597 61.803 62.300 0.166 0.000 0.885 221 V CB 1.943 33.940 31.823 0.291 0.000 0.999 221 V HN 0.636 nan 8.190 nan 0.000 0.424 222 L N 3.532 124.845 121.223 0.150 0.000 2.375 222 L HA 0.746 5.086 4.340 -0.000 0.000 0.271 222 L C 0.482 177.540 176.870 0.314 0.000 1.107 222 L CA -0.339 54.595 54.840 0.157 0.000 0.806 222 L CB 1.264 43.396 42.059 0.121 0.000 1.146 222 L HN 0.754 nan 8.230 nan 0.000 0.447 223 A N 3.864 126.833 122.820 0.249 0.000 2.293 223 A HA 0.559 4.879 4.320 -0.000 0.000 0.312 223 A C -0.887 177.012 177.584 0.525 0.000 1.309 223 A CA -0.446 51.807 52.037 0.360 0.000 0.839 223 A CB 0.876 19.678 19.000 -0.329 0.000 1.155 223 A HN 0.520 nan 8.150 nan 0.000 0.501 224 L N 5.757 127.310 121.223 0.548 0.000 2.264 224 L HA 0.627 4.967 4.340 -0.000 0.000 0.289 224 L C -2.441 174.653 176.870 0.373 0.000 1.044 224 L CA -1.938 53.137 54.840 0.392 0.000 0.807 224 L CB 1.214 43.431 42.059 0.265 0.000 1.192 224 L HN 0.387 nan 8.230 nan 0.000 0.425 225 P HA 0.226 nan 4.420 nan 0.000 0.290 225 P C -1.788 175.349 177.300 -0.272 0.000 1.276 225 P CA -0.150 62.701 63.100 -0.414 0.000 0.808 225 P CB 0.664 31.724 31.700 -1.067 0.000 0.966 226 Y N 0.855 121.025 120.300 -0.216 0.000 2.331 226 Y HA 0.295 4.845 4.550 -0.000 0.000 0.334 226 Y C 0.310 176.157 175.900 -0.088 0.000 0.960 226 Y CA -0.477 57.576 58.100 -0.079 0.000 1.130 226 Y CB 1.522 39.980 38.460 -0.003 0.000 1.164 226 Y HN 0.228 nan 8.280 nan 0.000 0.458 227 D N 2.054 122.525 120.400 0.118 0.000 2.198 227 D HA 0.365 5.005 4.640 -0.000 0.000 0.245 227 D C -0.624 175.887 176.300 0.353 0.000 1.079 227 D CA -0.142 53.973 54.000 0.191 0.000 0.854 227 D CB 1.726 42.651 40.800 0.209 0.000 1.148 227 D HN 0.374 nan 8.370 nan 0.000 0.456 228 T N 3.286 117.984 114.554 0.240 0.000 2.824 228 T HA 0.468 4.817 4.350 -0.000 0.000 0.282 228 T C -2.538 172.083 174.700 -0.131 0.000 0.993 228 T CA -1.455 60.711 62.100 0.110 0.000 0.967 228 T CB 2.087 71.006 68.868 0.085 0.000 0.960 228 T HN 0.183 nan 8.240 nan 0.000 0.441 229 P HA 0.301 nan 4.420 nan 0.000 0.275 229 P C -0.955 176.058 177.300 -0.479 0.000 1.227 229 P CA -0.398 62.093 63.100 -1.017 0.000 0.781 229 P CB 0.874 31.611 31.700 -1.605 0.000 0.906 230 V N 5.234 124.928 119.914 -0.366 0.000 2.266 230 V HA 0.242 4.362 4.120 -0.000 0.000 0.271 230 V C -1.933 174.048 176.094 -0.189 0.000 1.032 230 V CA -1.941 60.232 62.300 -0.212 0.000 0.806 230 V CB 1.120 32.873 31.823 -0.117 0.000 1.052 230 V HN 0.554 nan 8.190 nan 0.000 0.449 231 P HA 0.231 nan 4.420 nan 0.000 0.276 231 P C 0.378 177.636 177.300 -0.070 0.000 1.230 231 P CA 0.371 63.389 63.100 -0.138 0.000 0.776 231 P CB 1.639 33.252 31.700 -0.146 0.000 0.888 232 G N 2.433 111.209 108.800 -0.040 0.000 2.599 232 G HA2 0.157 4.117 3.960 -0.000 0.000 0.264 232 G HA3 0.157 4.117 3.960 -0.000 0.000 0.264 232 G C -1.191 173.728 174.900 0.031 0.000 1.200 232 G CA -0.459 44.647 45.100 0.009 0.000 0.896 232 G HN 0.492 nan 8.290 nan 0.000 0.536 233 Y N 1.858 122.126 120.300 -0.054 0.000 2.531 233 Y HA 0.226 4.776 4.550 -0.000 0.000 0.347 233 Y C 1.118 176.985 175.900 -0.056 0.000 1.024 233 Y CA -0.713 57.349 58.100 -0.063 0.000 1.306 233 Y CB 0.197 38.617 38.460 -0.067 0.000 1.149 233 Y HN 0.476 nan 8.280 nan 0.000 0.527 234 M N 5.068 124.349 119.600 -0.531 0.000 2.212 234 M HA -0.322 4.158 4.480 -0.000 0.000 0.193 234 M C -0.405 175.770 176.300 -0.208 0.000 0.493 234 M CA 1.181 56.212 55.300 -0.449 0.000 0.427 234 M CB -1.914 30.266 32.600 -0.700 0.000 1.120 234 M HN 0.859 nan 8.290 nan 0.000 0.929 235 N N -0.976 117.650 118.700 -0.123 0.000 2.142 235 N HA 0.133 4.873 4.740 -0.000 0.000 0.233 235 N C 0.195 175.672 175.510 -0.055 0.000 1.335 235 N CA 0.207 53.216 53.050 -0.067 0.000 0.837 235 N CB 0.177 38.647 38.487 -0.027 0.000 1.238 235 N HN 0.343 nan 8.380 nan 0.000 0.501 236 N N -1.154 117.509 118.700 -0.061 0.000 2.936 236 N HA -0.156 4.584 4.740 -0.000 0.000 0.236 236 N C -0.866 174.621 175.510 -0.038 0.000 0.930 236 N CA 1.584 54.606 53.050 -0.046 0.000 0.966 236 N CB -1.814 36.643 38.487 -0.049 0.000 1.090 236 N HN 0.425 nan 8.380 nan 0.000 0.592 237 T N 1.363 115.898 114.554 -0.031 0.000 2.845 237 T HA 0.583 4.933 4.350 -0.000 0.000 0.288 237 T C 0.244 174.931 174.700 -0.021 0.000 0.980 237 T CA -0.292 61.801 62.100 -0.013 0.000 1.071 237 T CB 2.286 71.171 68.868 0.027 0.000 0.941 237 T HN -0.034 nan 8.240 nan 0.000 0.487 238 V N 4.937 124.846 119.914 -0.008 0.000 2.488 238 V HA 0.378 4.497 4.120 -0.000 0.000 0.293 238 V C -0.248 175.866 176.094 0.033 0.000 1.027 238 V CA -1.122 61.140 62.300 -0.064 0.000 0.862 238 V CB 1.629 33.367 31.823 -0.142 0.000 1.008 238 V HN 0.736 nan 8.190 nan 0.000 0.428 239 N N 1.796 120.490 118.700 -0.011 0.000 2.495 239 N HA 0.613 5.352 4.740 -0.000 0.000 0.294 239 N C -0.111 175.460 175.510 0.101 0.000 1.276 239 N CA -0.334 52.747 53.050 0.053 0.000 0.973 239 N CB 1.227 39.694 38.487 -0.033 0.000 1.143 239 N HN 0.608 nan 8.380 nan 0.000 0.589 240 T N 0.721 115.326 114.554 0.084 0.000 2.861 240 T HA 0.420 4.770 4.350 -0.000 0.000 0.287 240 T C -0.464 174.251 174.700 0.026 0.000 1.003 240 T CA -0.505 61.712 62.100 0.194 0.000 0.977 240 T CB 1.191 70.268 68.868 0.348 0.000 0.996 240 T HN 0.289 nan 8.240 nan 0.000 0.448 241 M N 3.570 123.154 119.600 -0.028 0.000 2.072 241 M HA 0.501 4.981 4.480 -0.000 0.000 0.331 241 M C -0.570 175.603 176.300 -0.211 0.000 1.004 241 M CA -0.744 54.438 55.300 -0.197 0.000 0.952 241 M CB 0.702 33.145 32.600 -0.262 0.000 1.511 241 M HN 0.461 nan 8.290 nan 0.000 0.422 242 R N 4.753 125.015 120.500 -0.396 0.000 2.215 242 R HA 0.531 4.871 4.340 -0.000 0.000 0.336 242 R C -1.914 174.101 176.300 -0.474 0.000 0.996 242 R CA -0.569 55.222 56.100 -0.515 0.000 0.847 242 R CB 0.808 30.586 30.300 -0.871 0.000 1.127 242 R HN 0.607 nan 8.270 nan 0.000 0.465 243 L N 5.530 126.575 121.223 -0.296 0.000 2.313 243 L HA 0.465 4.805 4.340 -0.000 0.000 0.283 243 L C -1.017 175.814 176.870 -0.065 0.000 1.013 243 L CA -0.676 54.106 54.840 -0.097 0.000 0.816 243 L CB 1.147 43.228 42.059 0.036 0.000 1.236 243 L HN 0.616 nan 8.230 nan 0.000 0.419 244 W N 2.161 123.568 121.300 0.179 0.000 2.365 244 W HA 0.600 5.260 4.660 -0.000 0.000 0.316 244 W C 0.523 177.276 176.519 0.391 0.000 1.164 244 W CA -0.312 57.175 57.345 0.236 0.000 1.204 244 W CB 1.506 30.974 29.460 0.012 0.000 1.213 244 W HN 0.466 nan 8.180 nan 0.000 0.539 245 S N 2.174 118.280 115.700 0.678 0.000 2.473 245 S HA 0.778 5.248 4.470 -0.000 0.000 0.307 245 S C -0.420 174.506 174.600 0.543 0.000 1.094 245 S CA -0.715 57.781 58.200 0.493 0.000 1.070 245 S CB 0.577 63.998 63.200 0.368 0.000 1.019 245 S HN 0.557 nan 8.310 nan 0.000 0.480 246 A N 5.125 128.093 122.820 0.247 0.000 2.366 246 A HA 0.769 5.089 4.320 -0.000 0.000 0.272 246 A C -0.135 177.519 177.584 0.117 0.000 1.135 246 A CA -0.491 51.590 52.037 0.073 0.000 0.804 246 A CB 0.291 19.048 19.000 -0.406 0.000 1.064 246 A HN 0.761 nan 8.150 nan 0.000 0.499 247 R N 0.916 121.507 120.500 0.151 0.000 2.673 247 R HA 0.611 4.951 4.340 -0.000 0.000 0.281 247 R C -0.378 175.973 176.300 0.086 0.000 0.991 247 R CA -0.500 55.668 56.100 0.113 0.000 0.896 247 R CB 1.607 31.989 30.300 0.137 0.000 1.201 247 R HN 0.868 nan 8.270 nan 0.000 0.457 248 A N 4.423 127.277 122.820 0.056 0.000 2.425 248 A HA 0.460 4.780 4.320 -0.000 0.000 0.249 248 A C -1.791 175.820 177.584 0.046 0.000 1.084 248 A CA -0.836 51.227 52.037 0.042 0.000 0.781 248 A CB -0.310 18.705 19.000 0.024 0.000 1.019 248 A HN 0.419 nan 8.150 nan 0.000 0.490 249 P HA 0.203 nan 4.420 nan 0.000 0.276 249 P C -0.967 176.351 177.300 0.030 0.000 1.252 249 P CA -0.539 62.581 63.100 0.034 0.000 0.802 249 P CB 0.641 32.354 31.700 0.022 0.000 1.035 250 N N 1.098 119.816 118.700 0.029 0.000 2.817 250 N HA 0.130 4.870 4.740 -0.000 0.000 0.234 250 N C -0.398 175.129 175.510 0.028 0.000 1.066 250 N CA -0.183 52.885 53.050 0.030 0.000 0.926 250 N CB -0.083 38.422 38.487 0.030 0.000 1.176 250 N HN 0.429 nan 8.380 nan 0.000 0.506 262 Y N 5.326 125.628 120.300 0.003 0.000 2.128 262 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 262 Y C 1.824 177.727 175.900 0.005 0.000 1.154 262 Y CA 1.581 59.684 58.100 0.004 0.000 1.149 262 Y CB -0.016 38.446 38.460 0.004 0.000 0.976 262 Y HN 0.485 nan 8.280 nan 0.000 0.505 263 I N 0.569 121.061 120.570 -0.130 0.000 2.127 263 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 263 I C 2.430 178.432 176.117 -0.192 0.000 1.075 263 I CA 1.917 63.089 61.300 -0.215 0.000 1.334 263 I CB -1.565 36.419 38.000 -0.026 0.000 1.040 263 I HN 0.331 nan 8.210 nan 0.000 0.405 264 Q N 1.087 120.829 119.800 -0.096 0.000 2.135 264 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 264 Q C 2.199 178.144 176.000 -0.092 0.000 0.981 264 Q CA 2.257 58.016 55.803 -0.072 0.000 0.856 264 Q CB -0.364 28.354 28.738 -0.034 0.000 0.902 264 Q HN 0.482 nan 8.270 nan 0.000 0.425 265 A N -0.808 121.945 122.820 -0.111 0.000 1.902 265 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 265 A C 2.257 179.756 177.584 -0.140 0.000 1.181 265 A CA 1.671 53.648 52.037 -0.099 0.000 0.623 265 A CB -0.778 18.180 19.000 -0.069 0.000 0.818 265 A HN 0.270 nan 8.150 nan 0.000 0.443 266 V N 0.219 119.979 119.914 -0.257 0.000 2.358 266 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 266 V C 2.544 178.559 176.094 -0.133 0.000 1.047 266 V CA 1.785 63.945 62.300 -0.233 0.000 1.035 266 V CB -0.750 30.846 31.823 -0.377 0.000 0.658 266 V HN 0.560 nan 8.190 nan 0.000 0.452 267 L N -0.227 120.923 121.223 -0.122 0.000 2.046 267 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 267 L C 2.222 179.062 176.870 -0.050 0.000 1.077 267 L CA 1.499 56.296 54.840 -0.072 0.000 0.747 267 L CB -0.822 41.200 42.059 -0.061 0.000 0.896 267 L HN 0.318 nan 8.230 nan 0.000 0.432 268 D N 0.123 120.492 120.400 -0.053 0.000 2.351 268 D HA -0.132 4.508 4.640 -0.000 0.000 0.216 268 D C 2.171 178.455 176.300 -0.027 0.000 0.968 268 D CA 0.662 54.641 54.000 -0.035 0.000 0.899 268 D CB -0.115 40.665 40.800 -0.033 0.000 0.907 268 D HN 0.237 nan 8.370 nan 0.000 0.514 269 R N 0.362 120.843 120.500 -0.032 0.000 2.200 269 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 269 R C 1.623 177.917 176.300 -0.010 0.000 1.127 269 R CA 0.593 56.683 56.100 -0.017 0.000 0.989 269 R CB -0.056 30.234 30.300 -0.017 0.000 0.869 269 R HN 0.161 nan 8.270 nan 0.000 0.459 270 N N 0.890 119.583 118.700 -0.013 0.000 2.149 270 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 270 N C 1.742 177.247 175.510 -0.009 0.000 1.019 270 N CA 1.143 54.191 53.050 -0.005 0.000 0.857 270 N CB -0.252 38.232 38.487 -0.005 0.000 0.997 270 N HN 0.233 nan 8.380 nan 0.000 0.426 271 L N 0.476 121.690 121.223 -0.014 0.000 2.043 271 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 271 L C 2.393 179.242 176.870 -0.036 0.000 1.075 271 L CA 1.490 56.319 54.840 -0.020 0.000 0.752 271 L CB -0.588 41.461 42.059 -0.017 0.000 0.891 271 L HN 0.148 nan 8.230 nan 0.000 0.432 272 A N -0.270 122.531 122.820 -0.031 0.000 1.929 272 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 272 A C 2.137 179.677 177.584 -0.073 0.000 1.176 272 A CA 1.396 53.403 52.037 -0.051 0.000 0.628 272 A CB -0.386 18.609 19.000 -0.008 0.000 0.816 272 A HN 0.410 nan 8.150 nan 0.000 0.444 273 E N 0.160 120.338 120.200 -0.035 0.000 2.338 273 E HA -0.117 4.232 4.350 -0.000 0.000 0.197 273 E C 1.204 177.788 176.600 -0.027 0.000 1.007 273 E CA 0.628 57.012 56.400 -0.026 0.000 0.849 273 E CB -0.080 29.627 29.700 0.011 0.000 0.774 273 E HN 0.489 nan 8.360 nan 0.000 0.506 274 N N 0.468 119.153 118.700 -0.025 0.000 2.453 274 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 274 N C 1.479 176.981 175.510 -0.014 0.000 1.041 274 N CA 0.615 53.665 53.050 0.001 0.000 0.900 274 N CB 0.004 38.491 38.487 0.000 0.000 0.961 274 N HN 0.269 nan 8.380 nan 0.000 0.443 275 I N 0.387 120.892 120.570 -0.109 0.000 2.208 275 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 275 I C 1.381 177.442 176.117 -0.093 0.000 1.097 275 I CA 1.185 62.384 61.300 -0.168 0.000 1.363 275 I CB -0.170 37.581 38.000 -0.415 0.000 1.051 275 I HN 0.118 nan 8.210 nan 0.000 0.413 276 S N -0.406 115.229 115.700 -0.108 0.000 2.583 276 S HA 0.191 4.661 4.470 -0.000 0.000 0.239 276 S C 1.451 176.172 174.600 0.202 0.000 0.966 276 S CA -0.565 57.660 58.200 0.042 0.000 0.973 276 S CB 0.165 63.370 63.200 0.008 0.000 0.794 276 S HN 0.244 nan 8.310 nan 0.000 0.463 277 R N 0.837 121.459 120.500 0.203 0.000 2.062 277 R HA 0.225 4.565 4.340 -0.000 0.000 0.231 277 R C 0.451 176.993 176.300 0.402 0.000 1.136 277 R CA 1.322 57.584 56.100 0.271 0.000 0.948 277 R CB -0.090 30.323 30.300 0.189 0.000 0.845 277 R HN 0.400 nan 8.270 nan 0.000 0.430 278 V N 0.239 120.345 119.914 0.321 0.000 2.971 278 V HA 0.334 4.454 4.120 -0.000 0.000 0.309 278 V C -1.508 174.562 176.094 -0.040 0.000 1.130 278 V CA -1.304 61.119 62.300 0.204 0.000 0.964 278 V CB 1.813 33.668 31.823 0.053 0.000 1.029 278 V HN 0.177 nan 8.190 nan 0.000 0.427 279 L N 6.105 127.063 121.223 -0.442 0.000 2.416 279 L HA 0.444 4.784 4.340 -0.000 0.000 0.272 279 L C -0.872 175.809 176.870 -0.315 0.000 1.161 279 L CA 0.488 54.825 54.840 -0.839 0.000 0.845 279 L CB 0.473 41.978 42.059 -0.922 0.000 1.119 279 L HN 0.688 nan 8.230 nan 0.000 0.464 280 Y N 6.711 126.911 120.300 -0.166 0.000 2.496 280 Y HA 0.214 4.764 4.550 -0.000 0.000 0.334 280 Y C -1.317 174.562 175.900 -0.035 0.000 1.080 280 Y CA -1.157 56.921 58.100 -0.037 0.000 1.355 280 Y CB 0.523 38.988 38.460 0.009 0.000 1.193 280 Y HN 0.583 nan 8.280 nan 0.000 0.523 281 P HA -0.032 nan 4.420 nan 0.000 0.258 281 P C -0.884 176.522 177.300 0.177 0.000 1.403 281 P CA 0.299 63.480 63.100 0.136 0.000 0.826 281 P CB 0.093 31.954 31.700 0.269 0.000 1.414 282 N N 1.315 120.134 118.700 0.198 0.000 2.426 282 N HA 0.123 4.863 4.740 -0.000 0.000 0.275 282 N C -0.442 175.201 175.510 0.221 0.000 1.019 282 N CA 0.112 53.302 53.050 0.233 0.000 0.941 282 N CB 1.358 40.041 38.487 0.325 0.000 1.123 282 N HN 0.115 nan 8.380 nan 0.000 0.486 283 D N 2.020 122.579 120.400 0.264 0.000 2.303 283 D HA 0.113 4.753 4.640 -0.000 0.000 0.236 283 D C -0.186 176.389 176.300 0.458 0.000 1.068 283 D CA -0.175 54.023 54.000 0.329 0.000 0.830 283 D CB 0.405 41.446 40.800 0.403 0.000 1.109 283 D HN 0.367 nan 8.370 nan 0.000 0.496 284 N N 2.770 121.673 118.700 0.339 0.000 2.740 284 N HA -0.257 4.483 4.740 -0.000 0.000 0.248 284 N C -1.149 174.599 175.510 0.396 0.000 1.062 284 N CA 0.700 53.933 53.050 0.305 0.000 0.704 284 N CB -1.068 37.554 38.487 0.224 0.000 0.968 284 N HN 0.419 nan 8.380 nan 0.000 0.547 285 F N 0.550 120.601 119.950 0.170 0.000 2.604 285 F HA 0.452 4.979 4.527 -0.000 0.000 0.316 285 F C -1.334 174.544 175.800 0.130 0.000 1.136 285 F CA -1.186 56.882 58.000 0.114 0.000 0.989 285 F CB 0.872 39.895 39.000 0.039 0.000 1.258 285 F HN -0.064 nan 8.300 nan 0.000 0.451 286 F N 5.931 125.408 119.950 -0.789 0.000 2.391 286 F HA 0.459 4.986 4.527 -0.000 0.000 0.359 286 F C -0.408 174.909 175.800 -0.804 0.000 1.122 286 F CA -0.359 57.254 58.000 -0.646 0.000 1.120 286 F CB 0.716 39.402 39.000 -0.523 0.000 1.142 286 F HN 0.585 nan 8.300 nan 0.000 0.483 287 E N 3.799 123.341 120.200 -1.098 0.000 2.114 287 E HA 0.386 4.736 4.350 -0.000 0.000 0.266 287 E C 0.176 175.959 176.600 -1.362 0.000 0.896 287 E CA -0.614 55.252 56.400 -0.890 0.000 0.750 287 E CB 1.045 30.604 29.700 -0.235 0.000 1.121 287 E HN 0.908 nan 8.360 nan 0.000 0.413 288 G N 5.223 113.158 108.800 -1.441 0.000 3.455 288 G HA2 0.009 3.969 3.960 -0.000 0.000 0.250 288 G HA3 0.009 3.969 3.960 -0.000 0.000 0.250 288 G C 0.066 174.903 174.900 -0.104 0.000 1.071 288 G CA -0.267 44.175 45.100 -1.097 0.000 1.812 288 G HN 0.226 nan 8.290 nan 0.000 0.643 289 K N 0.586 120.953 120.400 -0.056 0.000 2.298 289 K HA 0.096 4.416 4.320 -0.000 0.000 0.280 289 K C 1.134 177.856 176.600 0.204 0.000 1.032 289 K CA -0.386 55.961 56.287 0.100 0.000 0.958 289 K CB 1.912 34.474 32.500 0.102 0.000 0.978 289 K HN 0.504 nan 8.250 nan 0.000 0.472 290 E N 2.253 122.542 120.200 0.148 0.000 2.118 290 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 290 E C 1.515 178.124 176.600 0.015 0.000 0.992 290 E CA 0.968 57.403 56.400 0.059 0.000 0.804 290 E CB 0.120 29.858 29.700 0.063 0.000 0.741 290 E HN 0.430 nan 8.360 nan 0.000 0.458 291 L N 1.242 122.518 121.223 0.089 0.000 2.083 291 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 291 L C 2.448 179.394 176.870 0.127 0.000 1.083 291 L CA 1.803 56.711 54.840 0.114 0.000 0.752 291 L CB -0.528 41.665 42.059 0.224 0.000 0.899 291 L HN 0.035 nan 8.230 nan 0.000 0.433 292 R N -0.375 120.145 120.500 0.035 0.000 2.073 292 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 292 R C 2.144 178.463 176.300 0.031 0.000 1.134 292 R CA 2.053 58.086 56.100 -0.111 0.000 0.952 292 R CB -1.190 28.814 30.300 -0.493 0.000 0.850 292 R HN 0.415 nan 8.270 nan 0.000 0.433 293 L N 0.961 122.111 121.223 -0.121 0.000 2.079 293 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 293 L C 1.769 178.566 176.870 -0.122 0.000 1.081 293 L CA 1.945 56.517 54.840 -0.447 0.000 0.752 293 L CB -0.414 41.086 42.059 -0.931 0.000 0.896 293 L HN 0.186 nan 8.230 nan 0.000 0.433 294 K N -0.999 119.371 120.400 -0.051 0.000 2.057 294 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 294 K C 2.076 178.808 176.600 0.219 0.000 1.049 294 K CA 1.804 58.114 56.287 0.038 0.000 0.931 294 K CB -0.185 32.175 32.500 -0.233 0.000 0.714 294 K HN 0.530 nan 8.250 nan 0.000 0.440 295 Q N 0.645 120.555 119.800 0.184 0.000 2.084 295 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 295 Q C 1.946 178.138 176.000 0.321 0.000 0.978 295 Q CA 1.407 57.381 55.803 0.285 0.000 0.844 295 Q CB -0.073 28.859 28.738 0.324 0.000 0.898 295 Q HN 0.397 nan 8.270 nan 0.000 0.426 296 E N 0.015 120.356 120.200 0.236 0.000 2.058 296 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 296 E C 1.799 178.500 176.600 0.169 0.000 0.997 296 E CA 1.179 57.698 56.400 0.199 0.000 0.801 296 E CB -0.196 29.600 29.700 0.159 0.000 0.746 296 E HN 0.340 nan 8.360 nan 0.000 0.450 297 Y N 0.564 120.906 120.300 0.070 0.000 2.263 297 Y HA -0.182 4.368 4.550 -0.000 0.000 0.292 297 Y C 1.985 177.914 175.900 0.048 0.000 1.130 297 Y CA 0.806 58.897 58.100 -0.015 0.000 1.179 297 Y CB -0.410 38.009 38.460 -0.069 0.000 0.998 297 Y HN -0.007 nan 8.280 nan 0.000 0.532 298 F N -0.165 119.760 119.950 -0.042 0.000 2.043 298 F HA -0.278 4.249 4.527 -0.000 0.000 0.297 298 F C 2.498 178.141 175.800 -0.260 0.000 1.121 298 F CA 2.176 60.111 58.000 -0.109 0.000 1.199 298 F CB -1.136 37.947 39.000 0.138 0.000 0.968 298 F HN -0.064 nan 8.300 nan 0.000 0.478 299 V N -0.535 119.312 119.914 -0.112 0.000 2.427 299 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 299 V C 2.202 178.139 176.094 -0.262 0.000 1.051 299 V CA 1.837 64.038 62.300 -0.165 0.000 1.048 299 V CB -0.328 31.600 31.823 0.174 0.000 0.666 299 V HN 0.278 nan 8.190 nan 0.000 0.456 300 V N 0.222 119.994 119.914 -0.237 0.000 2.379 300 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 300 V C 2.753 178.593 176.094 -0.423 0.000 1.044 300 V CA 2.004 64.159 62.300 -0.241 0.000 1.036 300 V CB -0.844 30.901 31.823 -0.130 0.000 0.664 300 V HN 0.635 nan 8.190 nan 0.000 0.453 301 A N -0.145 122.244 122.820 -0.718 0.000 1.873 301 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 301 A C 2.401 179.594 177.584 -0.651 0.000 1.186 301 A CA 2.056 53.658 52.037 -0.725 0.000 0.616 301 A CB -0.810 17.522 19.000 -1.114 0.000 0.823 301 A HN 0.558 nan 8.150 nan 0.000 0.442 302 A N -1.116 121.148 122.820 -0.926 0.000 1.902 302 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 302 A C 2.316 179.349 177.584 -0.919 0.000 1.181 302 A CA 2.291 53.566 52.037 -1.269 0.000 0.623 302 A CB -1.277 16.309 19.000 -2.356 0.000 0.818 302 A HN 0.423 nan 8.150 nan 0.000 0.443 303 T N 0.417 114.595 114.554 -0.628 0.000 2.674 303 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 303 T C 1.837 176.245 174.700 -0.488 0.000 1.039 303 T CA 1.578 63.442 62.100 -0.394 0.000 1.150 303 T CB -0.393 68.259 68.868 -0.361 0.000 0.864 303 T HN 0.344 nan 8.240 nan 0.000 0.427 304 L N 0.620 121.610 121.223 -0.389 0.000 2.093 304 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 304 L C 2.909 179.624 176.870 -0.257 0.000 1.085 304 L CA 1.318 55.971 54.840 -0.311 0.000 0.755 304 L CB -0.464 41.461 42.059 -0.222 0.000 0.904 304 L HN 0.339 nan 8.230 nan 0.000 0.435 305 Q N -0.635 119.015 119.800 -0.249 0.000 2.119 305 Q HA -0.241 4.099 4.340 -0.000 0.000 0.201 305 Q C 1.707 177.648 176.000 -0.099 0.000 0.972 305 Q CA 1.690 57.397 55.803 -0.160 0.000 0.847 305 Q CB -0.077 28.559 28.738 -0.170 0.000 0.903 305 Q HN 0.411 nan 8.270 nan 0.000 0.433 306 D N 0.556 120.891 120.400 -0.110 0.000 2.144 306 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 306 D C 1.623 177.864 176.300 -0.099 0.000 0.978 306 D CA 0.831 54.836 54.000 0.007 0.000 0.833 306 D CB 0.032 40.993 40.800 0.268 0.000 0.961 306 D HN 0.152 nan 8.370 nan 0.000 0.470 307 I N -0.012 120.399 120.570 -0.265 0.000 2.202 307 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 307 I C 2.301 178.415 176.117 -0.005 0.000 1.091 307 I CA 0.681 61.780 61.300 -0.335 0.000 1.368 307 I CB -0.109 37.513 38.000 -0.629 0.000 1.058 307 I HN 0.081 nan 8.210 nan 0.000 0.410 308 I N 0.315 120.914 120.570 0.049 0.000 2.226 308 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 308 I C 2.774 179.026 176.117 0.224 0.000 1.100 308 I CA 1.197 62.632 61.300 0.224 0.000 1.374 308 I CB -0.323 37.735 38.000 0.096 0.000 1.057 308 I HN 0.179 nan 8.210 nan 0.000 0.413 309 R N 1.131 121.701 120.500 0.117 0.000 2.094 309 R HA -0.260 4.079 4.340 -0.000 0.000 0.239 309 R C 2.517 178.877 176.300 0.100 0.000 1.137 309 R CA 2.023 58.189 56.100 0.111 0.000 0.943 309 R CB -0.349 30.012 30.300 0.102 0.000 0.850 309 R HN 0.208 nan 8.270 nan 0.000 0.433 310 R N -0.567 119.979 120.500 0.076 0.000 2.081 310 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 310 R C 2.203 178.550 176.300 0.079 0.000 1.131 310 R CA 1.823 57.964 56.100 0.069 0.000 0.960 310 R CB -0.469 29.850 30.300 0.031 0.000 0.856 310 R HN 0.336 nan 8.270 nan 0.000 0.436 311 F N 1.650 121.587 119.950 -0.023 0.000 2.102 311 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 311 F C 1.797 177.362 175.800 -0.393 0.000 1.105 311 F CA 1.703 59.628 58.000 -0.125 0.000 1.239 311 F CB -0.061 38.972 39.000 0.056 0.000 0.991 311 F HN -0.098 nan 8.300 nan 0.000 0.474 312 K N -0.235 120.010 120.400 -0.259 0.000 2.283 312 K HA -0.027 4.293 4.320 -0.000 0.000 0.202 312 K C 1.882 178.356 176.600 -0.210 0.000 1.048 312 K CA 0.857 56.911 56.287 -0.388 0.000 0.948 312 K CB -0.271 32.200 32.500 -0.048 0.000 0.742 312 K HN 0.372 nan 8.250 nan 0.000 0.458 313 A N 1.105 123.874 122.820 -0.085 0.000 2.220 313 A HA 0.042 4.362 4.320 -0.000 0.000 0.211 313 A C 0.852 178.524 177.584 0.146 0.000 1.176 313 A CA -0.139 51.940 52.037 0.070 0.000 0.834 313 A CB 0.036 19.102 19.000 0.110 0.000 0.868 313 A HN 0.262 nan 8.150 nan 0.000 0.488 314 S N -0.268 115.422 115.700 -0.017 0.000 2.573 314 S HA 0.198 4.668 4.470 -0.000 0.000 0.277 314 S C 0.422 175.097 174.600 0.125 0.000 1.346 314 S CA -0.052 58.160 58.200 0.021 0.000 1.034 314 S CB 0.763 63.859 63.200 -0.175 0.000 0.879 314 S HN 0.140 nan 8.310 nan 0.000 0.528 315 K N 1.979 122.343 120.400 -0.060 0.000 2.790 315 K HA 0.202 4.522 4.320 -0.000 0.000 0.229 315 K C 0.154 176.742 176.600 -0.020 0.000 1.040 315 K CA -1.036 55.215 56.287 -0.061 0.000 1.211 315 K CB -1.700 30.657 32.500 -0.239 0.000 1.002 315 K HN 0.634 nan 8.250 nan 0.000 0.479 326 F N 0.322 120.463 119.950 0.318 0.000 2.517 326 F HA -0.277 4.250 4.527 -0.000 0.000 0.434 326 F C 1.203 177.012 175.800 0.014 0.000 0.564 326 F CA 1.086 59.132 58.000 0.078 0.000 1.414 326 F CB -1.416 37.405 39.000 -0.297 0.000 2.009 326 F HN 0.391 nan 8.300 nan 0.000 0.274 327 D N 0.717 121.254 120.400 0.228 0.000 2.264 327 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 327 D C 2.080 178.480 176.300 0.167 0.000 0.966 327 D CA 1.339 55.422 54.000 0.138 0.000 0.864 327 D CB -0.069 40.794 40.800 0.105 0.000 0.933 327 D HN 0.491 nan 8.370 nan 0.000 0.499 328 A N -0.189 122.797 122.820 0.277 0.000 2.308 328 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 328 A C 1.592 179.333 177.584 0.261 0.000 1.216 328 A CA -0.365 51.838 52.037 0.276 0.000 0.864 328 A CB -0.459 18.752 19.000 0.351 0.000 0.902 328 A HN 0.080 nan 8.150 nan 0.000 0.499 329 F N 2.276 122.203 119.950 -0.039 0.000 2.027 329 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 329 F C -0.847 174.861 175.800 -0.152 0.000 1.129 329 F CA 2.684 60.428 58.000 -0.427 0.000 1.195 329 F CB -1.045 37.704 39.000 -0.418 0.000 0.960 329 F HN 0.187 nan 8.300 nan 0.000 0.485 330 P HA -0.121 nan 4.420 nan 0.000 0.223 330 P C 0.657 177.902 177.300 -0.092 0.000 1.144 330 P CA 1.785 64.836 63.100 -0.082 0.000 0.783 330 P CB -0.092 31.609 31.700 0.002 0.000 0.771 331 D N -1.709 118.666 120.400 -0.042 0.000 2.360 331 D HA 0.019 4.659 4.640 -0.000 0.000 0.210 331 D C 1.626 177.916 176.300 -0.015 0.000 1.047 331 D CA 0.567 54.560 54.000 -0.011 0.000 0.854 331 D CB 0.241 41.061 40.800 0.032 0.000 0.936 331 D HN 0.197 nan 8.370 nan 0.000 0.514 332 Q N 0.041 119.808 119.800 -0.055 0.000 2.245 332 Q HA 0.175 4.515 4.340 -0.000 0.000 0.236 332 Q C -0.240 175.657 176.000 -0.171 0.000 0.842 332 Q CA 0.246 56.029 55.803 -0.033 0.000 0.945 332 Q CB 2.581 31.426 28.738 0.179 0.000 1.122 332 Q HN 0.028 nan 8.270 nan 0.000 0.506 333 V N 0.450 120.153 119.914 -0.351 0.000 2.733 333 V HA 0.762 4.882 4.120 -0.000 0.000 0.306 333 V C -1.144 174.787 176.094 -0.272 0.000 1.084 333 V CA -0.970 61.102 62.300 -0.379 0.000 0.905 333 V CB 1.895 33.216 31.823 -0.837 0.000 1.010 333 V HN 0.081 nan 8.190 nan 0.000 0.424 334 A N 5.543 128.265 122.820 -0.165 0.000 2.374 334 A HA 0.938 5.258 4.320 -0.000 0.000 0.305 334 A C -1.097 176.437 177.584 -0.085 0.000 1.053 334 A CA -0.447 51.529 52.037 -0.101 0.000 0.726 334 A CB 1.126 20.073 19.000 -0.088 0.000 1.229 334 A HN 0.755 nan 8.150 nan 0.000 0.431 335 I N 1.761 122.309 120.570 -0.037 0.000 2.418 335 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 335 I C -0.437 175.804 176.117 0.208 0.000 1.008 335 I CA -0.685 60.652 61.300 0.061 0.000 1.104 335 I CB 2.079 40.058 38.000 -0.035 0.000 1.264 335 I HN 0.687 nan 8.210 nan 0.000 0.438 336 Q N 5.635 125.544 119.800 0.181 0.000 2.290 336 Q HA 0.440 4.780 4.340 -0.000 0.000 0.259 336 Q C -1.334 174.711 176.000 0.074 0.000 0.941 336 Q CA -0.516 55.438 55.803 0.250 0.000 0.912 336 Q CB 1.319 30.303 28.738 0.410 0.000 1.244 336 Q HN 0.421 nan 8.270 nan 0.000 0.441 337 L N 4.299 125.621 121.223 0.165 0.000 2.283 337 L HA 0.297 4.637 4.340 -0.000 0.000 0.287 337 L C -0.177 176.752 176.870 0.100 0.000 1.073 337 L CA -0.068 54.840 54.840 0.114 0.000 0.822 337 L CB 0.393 42.540 42.059 0.147 0.000 1.186 337 L HN 0.603 nan 8.230 nan 0.000 0.436 338 N N 4.401 123.086 118.700 -0.025 0.000 2.508 338 N HA 0.094 4.834 4.740 -0.000 0.000 0.253 338 N C -0.026 175.566 175.510 0.136 0.000 1.145 338 N CA 0.449 53.548 53.050 0.082 0.000 0.973 338 N CB -0.171 38.293 38.487 -0.038 0.000 1.305 338 N HN 0.576 nan 8.380 nan 0.000 0.506 339 D N -0.184 120.395 120.400 0.298 0.000 4.808 339 D HA -0.226 4.414 4.640 -0.000 0.000 0.304 339 D C 0.380 176.754 176.300 0.123 0.000 2.360 339 D CA 1.507 55.642 54.000 0.226 0.000 1.222 339 D CB -0.515 40.170 40.800 -0.190 0.000 1.085 339 D HN 0.489 nan 8.370 nan 0.000 1.266 340 T N -2.330 112.206 114.554 -0.030 0.000 3.129 340 T HA 0.078 4.428 4.350 -0.000 0.000 0.251 340 T C 1.666 176.378 174.700 0.020 0.000 1.117 340 T CA 1.586 63.632 62.100 -0.090 0.000 1.034 340 T CB -0.523 68.274 68.868 -0.119 0.000 0.968 340 T HN 0.508 nan 8.240 nan 0.000 0.526 341 H N 2.594 121.733 119.070 0.115 0.000 2.390 341 H HA -0.011 4.545 4.556 -0.000 0.000 0.298 341 H C -0.829 174.574 175.328 0.124 0.000 1.106 341 H CA 1.128 57.266 56.048 0.149 0.000 1.297 341 H CB -0.699 29.160 29.762 0.162 0.000 1.375 341 H HN 0.455 nan 8.280 nan 0.000 0.509 342 P HA 0.239 nan 4.420 nan 0.000 0.262 342 P C 0.453 177.737 177.300 -0.026 0.000 1.651 342 P CA 0.372 63.526 63.100 0.090 0.000 1.119 342 P CB 0.585 32.343 31.700 0.097 0.000 1.552 343 A N 0.771 123.564 122.820 -0.045 0.000 1.978 343 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 343 A C 2.030 179.515 177.584 -0.164 0.000 1.170 343 A CA 1.173 53.115 52.037 -0.159 0.000 0.636 343 A CB -1.411 17.504 19.000 -0.141 0.000 0.810 343 A HN 0.237 nan 8.150 nan 0.000 0.448 344 L N -0.797 120.379 121.223 -0.078 0.000 2.447 344 L HA -0.198 4.142 4.340 -0.000 0.000 0.225 344 L C 2.851 179.694 176.870 -0.046 0.000 1.148 344 L CA 0.527 55.334 54.840 -0.054 0.000 0.808 344 L CB -0.455 41.590 42.059 -0.022 0.000 0.928 344 L HN 0.476 nan 8.230 nan 0.000 0.448 345 A N 0.302 123.040 122.820 -0.136 0.000 1.972 345 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 345 A C 2.187 179.621 177.584 -0.249 0.000 1.169 345 A CA 1.273 53.228 52.037 -0.138 0.000 0.635 345 A CB -0.405 18.521 19.000 -0.123 0.000 0.810 345 A HN 0.367 nan 8.150 nan 0.000 0.446 346 I N 0.322 120.593 120.570 -0.498 0.000 2.133 346 I HA -0.137 4.033 4.170 -0.000 0.000 0.238 346 I C -0.371 175.706 176.117 -0.066 0.000 1.074 346 I CA 1.481 62.533 61.300 -0.414 0.000 1.342 346 I CB -0.918 36.853 38.000 -0.380 0.000 1.053 346 I HN 0.249 nan 8.210 nan 0.000 0.404 347 P HA -0.149 nan 4.420 nan 0.000 0.229 347 P C 1.165 178.455 177.300 -0.016 0.000 1.160 347 P CA 1.364 64.464 63.100 -0.000 0.000 0.777 347 P CB 0.073 31.788 31.700 0.024 0.000 0.814 348 E N 0.437 120.704 120.200 0.112 0.000 2.072 348 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 348 E C 1.912 178.474 176.600 -0.064 0.000 0.982 348 E CA 0.546 57.047 56.400 0.169 0.000 0.803 348 E CB -1.207 28.659 29.700 0.277 0.000 0.755 348 E HN -0.006 nan 8.360 nan 0.000 0.453 349 L N 0.053 121.216 121.223 -0.100 0.000 2.046 349 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 349 L C 2.069 178.646 176.870 -0.489 0.000 1.077 349 L CA 1.751 56.380 54.840 -0.352 0.000 0.747 349 L CB -0.507 41.449 42.059 -0.172 0.000 0.896 349 L HN 0.233 nan 8.230 nan 0.000 0.432 350 M N -0.890 118.570 119.600 -0.234 0.000 2.132 350 M HA -0.189 4.291 4.480 -0.000 0.000 0.263 350 M C 2.435 178.619 176.300 -0.194 0.000 1.065 350 M CA 1.477 56.654 55.300 -0.206 0.000 1.122 350 M CB -1.135 31.325 32.600 -0.233 0.000 1.365 350 M HN 0.334 nan 8.290 nan 0.000 0.411 351 R N 0.633 121.010 120.500 -0.204 0.000 2.083 351 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 351 R C 2.095 178.317 176.300 -0.131 0.000 1.137 351 R CA 1.533 57.524 56.100 -0.182 0.000 0.951 351 R CB -0.275 29.862 30.300 -0.273 0.000 0.851 351 R HN 0.313 nan 8.270 nan 0.000 0.434 352 I N -0.119 120.334 120.570 -0.194 0.000 2.179 352 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 352 I C 2.162 178.187 176.117 -0.153 0.000 1.088 352 I CA 1.559 62.739 61.300 -0.201 0.000 1.357 352 I CB -0.445 37.349 38.000 -0.342 0.000 1.051 352 I HN 0.212 nan 8.210 nan 0.000 0.409 353 F N 0.317 120.068 119.950 -0.331 0.000 2.102 353 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 353 F C 2.513 178.165 175.800 -0.245 0.000 1.105 353 F CA 0.951 58.701 58.000 -0.418 0.000 1.239 353 F CB -0.254 38.471 39.000 -0.458 0.000 0.991 353 F HN -0.132 nan 8.300 nan 0.000 0.474 354 V N -0.034 119.900 119.914 0.033 0.000 2.249 354 V HA -0.251 3.869 4.120 -0.000 0.000 0.239 354 V C 1.723 177.841 176.094 0.040 0.000 1.038 354 V CA 1.957 64.280 62.300 0.038 0.000 1.005 354 V CB -0.550 31.317 31.823 0.073 0.000 0.646 354 V HN 0.188 nan 8.190 nan 0.000 0.455 355 D N -0.075 120.340 120.400 0.026 0.000 2.178 355 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 355 D C 1.916 178.233 176.300 0.029 0.000 0.980 355 D CA 1.230 55.248 54.000 0.030 0.000 0.842 355 D CB 0.016 40.826 40.800 0.017 0.000 0.948 355 D HN 0.311 nan 8.370 nan 0.000 0.472 356 I N 0.372 120.953 120.570 0.018 0.000 2.681 356 I HA -0.016 4.154 4.170 -0.000 0.000 0.247 356 I C 1.715 177.863 176.117 0.053 0.000 1.091 356 I CA 0.616 61.934 61.300 0.031 0.000 1.442 356 I CB -0.802 37.210 38.000 0.020 0.000 1.219 356 I HN -0.123 nan 8.210 nan 0.000 0.451 357 E N 1.468 121.693 120.200 0.041 0.000 2.502 357 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 357 E C 0.079 176.716 176.600 0.062 0.000 1.062 357 E CA -0.014 56.432 56.400 0.077 0.000 0.867 357 E CB 0.044 29.728 29.700 -0.026 0.000 0.888 357 E HN 0.234 nan 8.360 nan 0.000 0.510 358 K N 0.091 120.516 120.400 0.042 0.000 3.069 358 K HA -0.189 4.131 4.320 -0.000 0.000 0.267 358 K C 0.032 176.649 176.600 0.028 0.000 1.082 358 K CA 0.485 56.799 56.287 0.044 0.000 0.782 358 K CB -2.442 30.092 32.500 0.058 0.000 1.230 358 K HN 0.261 nan 8.250 nan 0.000 0.488 359 L N 1.588 122.802 121.223 -0.014 0.000 2.399 359 L HA 0.325 4.664 4.340 -0.000 0.000 0.266 359 L C -1.304 175.567 176.870 0.003 0.000 1.114 359 L CA -1.915 52.895 54.840 -0.049 0.000 0.804 359 L CB 0.334 42.271 42.059 -0.203 0.000 1.146 359 L HN -0.105 nan 8.230 nan 0.000 0.451 360 P HA -0.094 nan 4.420 nan 0.000 0.275 360 P C 0.386 177.760 177.300 0.124 0.000 1.228 360 P CA -0.386 62.767 63.100 0.088 0.000 0.786 360 P CB 0.861 32.609 31.700 0.080 0.000 0.927 361 W N 3.601 124.914 121.300 0.022 0.000 2.290 361 W HA -0.289 4.371 4.660 -0.000 0.000 0.323 361 W C 1.934 178.512 176.519 0.098 0.000 1.260 361 W CA 3.329 60.699 57.345 0.042 0.000 1.266 361 W CB -1.225 28.233 29.460 -0.002 0.000 1.149 361 W HN 0.510 nan 8.180 nan 0.000 0.482 362 S N 0.616 116.510 115.700 0.324 0.000 2.359 362 S HA -0.317 4.153 4.470 -0.000 0.000 0.223 362 S C 1.830 176.513 174.600 0.139 0.000 1.039 362 S CA 1.938 60.296 58.200 0.264 0.000 1.042 362 S CB -0.834 62.493 63.200 0.211 0.000 0.915 362 S HN 0.193 nan 8.310 nan 0.000 0.439 363 K N 2.171 122.604 120.400 0.056 0.000 2.057 363 K HA 0.200 4.520 4.320 -0.000 0.000 0.206 363 K C 2.269 178.808 176.600 -0.103 0.000 1.050 363 K CA 1.360 57.632 56.287 -0.026 0.000 0.935 363 K CB -1.144 31.320 32.500 -0.059 0.000 0.715 363 K HN 0.438 nan 8.250 nan 0.000 0.439 364 A N 0.528 123.269 122.820 -0.132 0.000 1.883 364 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 364 A C 2.251 179.836 177.584 0.001 0.000 1.186 364 A CA 1.629 53.592 52.037 -0.125 0.000 0.624 364 A CB -1.288 17.640 19.000 -0.119 0.000 0.822 364 A HN 0.705 nan 8.150 nan 0.000 0.444 365 W N 0.687 121.796 121.300 -0.317 0.000 2.338 365 W HA -0.196 4.464 4.660 -0.000 0.000 0.304 365 W C 2.142 178.625 176.519 -0.060 0.000 1.212 365 W CA 1.842 59.045 57.345 -0.236 0.000 1.264 365 W CB -0.057 29.261 29.460 -0.237 0.000 1.142 365 W HN 0.643 nan 8.180 nan 0.000 0.512 366 E N 0.631 120.803 120.200 -0.045 0.000 2.038 366 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 366 E C 2.256 178.776 176.600 -0.133 0.000 1.000 366 E CA 1.913 58.241 56.400 -0.120 0.000 0.803 366 E CB -0.750 28.932 29.700 -0.029 0.000 0.750 366 E HN 0.325 nan 8.360 nan 0.000 0.448 367 L N 0.605 121.778 121.223 -0.084 0.000 2.131 367 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 367 L C 2.699 179.597 176.870 0.048 0.000 1.092 367 L CA 1.387 56.217 54.840 -0.016 0.000 0.759 367 L CB -0.547 41.456 42.059 -0.093 0.000 0.903 367 L HN 0.189 nan 8.230 nan 0.000 0.435 368 T N -0.682 113.877 114.554 0.009 0.000 2.701 368 T HA -0.215 4.135 4.350 -0.000 0.000 0.263 368 T C 1.921 176.597 174.700 -0.041 0.000 1.040 368 T CA 1.401 63.513 62.100 0.019 0.000 1.147 368 T CB -0.176 68.698 68.868 0.011 0.000 0.865 368 T HN 0.386 nan 8.240 nan 0.000 0.426 369 Q N 0.731 120.351 119.800 -0.301 0.000 2.096 369 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 369 Q C 2.274 178.288 176.000 0.023 0.000 0.982 369 Q CA 1.256 56.924 55.803 -0.224 0.000 0.850 369 Q CB -0.178 28.312 28.738 -0.414 0.000 0.901 369 Q HN 0.444 nan 8.270 nan 0.000 0.422 370 K N -0.325 120.051 120.400 -0.040 0.000 2.362 370 K HA -0.045 4.275 4.320 -0.000 0.000 0.200 370 K C 1.845 178.460 176.600 0.025 0.000 1.046 370 K CA 1.186 57.437 56.287 -0.059 0.000 0.952 370 K CB 0.148 32.589 32.500 -0.099 0.000 0.753 370 K HN 0.146 nan 8.250 nan 0.000 0.466 371 T N 0.270 114.836 114.554 0.019 0.000 2.939 371 T HA 0.066 4.416 4.350 -0.000 0.000 0.254 371 T C 0.389 175.001 174.700 -0.146 0.000 1.041 371 T CA 0.652 62.678 62.100 -0.123 0.000 1.142 371 T CB 0.017 68.700 68.868 -0.308 0.000 0.874 371 T HN -0.048 nan 8.240 nan 0.000 0.452 372 F N 1.166 121.197 119.950 0.135 0.000 2.379 372 F HA 0.632 5.159 4.527 -0.000 0.000 0.332 372 F C 0.375 176.192 175.800 0.028 0.000 1.096 372 F CA -1.116 56.934 58.000 0.083 0.000 1.105 372 F CB 0.947 39.951 39.000 0.006 0.000 1.189 372 F HN 0.003 nan 8.300 nan 0.000 0.515 373 A N 2.554 125.531 122.820 0.260 0.000 2.486 373 A HA 0.635 4.955 4.320 -0.000 0.000 0.300 373 A C -2.259 175.450 177.584 0.209 0.000 1.048 373 A CA -0.585 51.487 52.037 0.058 0.000 0.696 373 A CB 1.159 20.195 19.000 0.060 0.000 1.278 373 A HN 0.672 nan 8.150 nan 0.000 0.405 374 Y N 1.059 121.331 120.300 -0.047 0.000 2.409 374 Y HA 0.704 5.254 4.550 -0.000 0.000 0.343 374 Y C -0.526 175.353 175.900 -0.035 0.000 0.973 374 Y CA -0.668 57.405 58.100 -0.046 0.000 1.064 374 Y CB 2.067 40.444 38.460 -0.139 0.000 1.207 374 Y HN 0.532 nan 8.280 nan 0.000 0.452 375 T N 6.890 121.294 114.554 -0.251 0.000 2.772 375 T HA 0.208 4.558 4.350 -0.000 0.000 0.288 375 T C -0.777 173.480 174.700 -0.739 0.000 0.994 375 T CA -0.772 61.068 62.100 -0.434 0.000 0.951 375 T CB 0.127 68.943 68.868 -0.087 0.000 0.933 375 T HN 0.640 nan 8.240 nan 0.000 0.447 376 N N 2.183 120.403 118.700 -0.799 0.000 2.434 376 N HA 0.088 4.828 4.740 -0.000 0.000 0.272 376 N C 0.148 175.566 175.510 -0.154 0.000 1.040 376 N CA -0.208 52.613 53.050 -0.381 0.000 0.956 376 N CB 0.618 39.013 38.487 -0.154 0.000 1.108 376 N HN 0.651 nan 8.380 nan 0.000 0.481 377 H N 1.528 120.631 119.070 0.055 0.000 2.672 377 H HA 0.175 4.731 4.556 -0.000 0.000 0.277 377 H C -0.170 175.106 175.328 -0.086 0.000 1.074 377 H CA -0.013 56.020 56.048 -0.025 0.000 1.173 377 H CB 0.969 30.719 29.762 -0.020 0.000 1.558 377 H HN 0.511 nan 8.280 nan 0.000 0.539 378 T N -0.315 114.313 114.554 0.125 0.000 2.827 378 T HA 0.259 4.609 4.350 -0.000 0.000 0.328 378 T C -0.481 174.289 174.700 0.117 0.000 1.598 378 T CA -0.394 61.742 62.100 0.060 0.000 1.043 378 T CB 1.303 70.197 68.868 0.043 0.000 1.447 378 T HN -0.131 nan 8.240 nan 0.000 0.491 379 V N 3.130 123.069 119.914 0.042 0.000 3.199 379 V HA 0.404 4.524 4.120 -0.000 0.000 0.331 379 V C 0.109 176.190 176.094 -0.022 0.000 1.446 379 V CA -0.237 62.073 62.300 0.016 0.000 1.120 379 V CB 0.368 32.201 31.823 0.017 0.000 1.051 379 V HN 0.659 nan 8.190 nan 0.000 0.495 380 L N 2.272 123.475 121.223 -0.035 0.000 2.319 380 L HA 0.259 4.599 4.340 -0.000 0.000 0.280 380 L C -0.958 175.927 176.870 0.026 0.000 1.099 380 L CA -1.154 53.682 54.840 -0.007 0.000 0.828 380 L CB 1.121 43.164 42.059 -0.028 0.000 1.150 380 L HN 0.059 nan 8.230 nan 0.000 0.442 381 P HA -0.263 nan 4.420 nan 0.000 0.215 381 P C 1.097 178.413 177.300 0.026 0.000 1.163 381 P CA 1.298 64.411 63.100 0.022 0.000 0.894 381 P CB 0.024 31.744 31.700 0.032 0.000 0.791 382 E N -0.186 120.062 120.200 0.080 0.000 2.463 382 E HA -0.108 4.242 4.350 -0.000 0.000 0.201 382 E C 1.460 178.057 176.600 -0.005 0.000 1.045 382 E CA 1.357 57.803 56.400 0.076 0.000 0.872 382 E CB -0.706 29.156 29.700 0.270 0.000 0.797 382 E HN 0.214 nan 8.360 nan 0.000 0.538 383 A N 1.219 124.066 122.820 0.045 0.000 2.195 383 A HA 0.229 4.549 4.320 -0.000 0.000 0.210 383 A C 1.270 178.847 177.584 -0.012 0.000 1.165 383 A CA -0.365 51.704 52.037 0.054 0.000 0.806 383 A CB -0.087 18.976 19.000 0.105 0.000 0.847 383 A HN 0.159 nan 8.150 nan 0.000 0.482 384 L N 1.493 122.667 121.223 -0.081 0.000 2.455 384 L HA 0.093 4.432 4.340 -0.000 0.000 0.272 384 L C 0.097 176.652 176.870 -0.526 0.000 1.174 384 L CA 0.028 54.753 54.840 -0.192 0.000 0.869 384 L CB 0.315 42.286 42.059 -0.147 0.000 1.130 384 L HN 0.318 nan 8.230 nan 0.000 0.474 385 E N 4.414 124.212 120.200 -0.669 0.000 2.180 385 E HA 0.240 4.590 4.350 -0.000 0.000 0.283 385 E C -0.573 175.395 176.600 -1.054 0.000 1.061 385 E CA -0.216 55.356 56.400 -1.380 0.000 0.861 385 E CB 0.713 29.954 29.700 -0.765 0.000 1.056 385 E HN 0.407 nan 8.360 nan 0.000 0.407 386 R N 3.796 123.512 120.500 -1.308 0.000 2.576 386 R HA 0.185 4.525 4.340 -0.000 0.000 0.283 386 R C -1.324 174.776 176.300 -0.334 0.000 1.493 386 R CA -0.527 55.247 56.100 -0.544 0.000 1.170 386 R CB 0.820 30.936 30.300 -0.305 0.000 1.189 386 R HN 0.435 nan 8.270 nan 0.000 0.542 387 W N 4.999 126.243 121.300 -0.095 0.000 2.287 387 W HA 0.237 4.897 4.660 -0.000 0.000 0.313 387 W C -1.747 174.793 176.519 0.034 0.000 1.267 387 W CA -1.996 55.383 57.345 0.058 0.000 1.201 387 W CB 0.774 30.250 29.460 0.026 0.000 1.196 387 W HN 0.229 nan 8.180 nan 0.000 0.536 388 P HA -0.059 nan 4.420 nan 0.000 0.267 388 P C 0.702 178.100 177.300 0.164 0.000 1.205 388 P CA 0.198 63.419 63.100 0.202 0.000 0.765 388 P CB 1.426 33.235 31.700 0.181 0.000 0.828 389 V N 3.032 123.014 119.914 0.113 0.000 2.324 389 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 389 V C 1.931 178.068 176.094 0.071 0.000 1.060 389 V CA 2.214 64.559 62.300 0.074 0.000 1.042 389 V CB -0.994 30.893 31.823 0.106 0.000 0.650 389 V HN 0.535 nan 8.190 nan 0.000 0.450 390 D N -0.454 120.000 120.400 0.089 0.000 2.149 390 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 390 D C 1.949 178.295 176.300 0.077 0.000 0.990 390 D CA 1.102 55.152 54.000 0.083 0.000 0.839 390 D CB -0.229 40.621 40.800 0.084 0.000 0.948 390 D HN 0.361 nan 8.370 nan 0.000 0.460 391 L N 0.596 121.872 121.223 0.089 0.000 2.027 391 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 391 L C 2.289 179.160 176.870 0.003 0.000 1.074 391 L CA 1.169 56.053 54.840 0.073 0.000 0.745 391 L CB -0.364 41.768 42.059 0.121 0.000 0.898 391 L HN -0.140 nan 8.230 nan 0.000 0.433 392 V N -0.319 119.579 119.914 -0.027 0.000 2.407 392 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 392 V C 2.521 178.563 176.094 -0.086 0.000 1.055 392 V CA 1.859 64.092 62.300 -0.111 0.000 1.049 392 V CB -0.704 31.042 31.823 -0.127 0.000 0.662 392 V HN 0.599 nan 8.190 nan 0.000 0.455 393 E N 0.614 120.798 120.200 -0.026 0.000 2.072 393 E HA -0.273 4.077 4.350 -0.000 0.000 0.191 393 E C 2.325 178.949 176.600 0.041 0.000 0.985 393 E CA 1.528 57.928 56.400 0.001 0.000 0.801 393 E CB -0.104 29.624 29.700 0.046 0.000 0.750 393 E HN 0.604 nan 8.360 nan 0.000 0.452 394 K N 0.194 120.642 120.400 0.079 0.000 2.031 394 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 394 K C 2.258 178.989 176.600 0.219 0.000 1.049 394 K CA 1.091 57.480 56.287 0.170 0.000 0.939 394 K CB -0.104 32.509 32.500 0.188 0.000 0.717 394 K HN 0.187 nan 8.250 nan 0.000 0.438 395 L N 0.922 122.178 121.223 0.056 0.000 2.068 395 L HA 0.106 4.446 4.340 -0.000 0.000 0.204 395 L C 0.648 177.474 176.870 -0.074 0.000 1.076 395 L CA 1.420 56.175 54.840 -0.142 0.000 0.753 395 L CB 0.165 42.097 42.059 -0.212 0.000 0.910 395 L HN 0.127 nan 8.230 nan 0.000 0.439 396 L N 1.227 122.361 121.223 -0.149 0.000 2.637 396 L HA 0.304 4.644 4.340 -0.000 0.000 0.241 396 L C -1.621 175.063 176.870 -0.311 0.000 1.398 396 L CA -1.067 53.592 54.840 -0.301 0.000 0.895 396 L CB 0.770 42.512 42.059 -0.527 0.000 1.183 396 L HN -0.001 nan 8.230 nan 0.000 0.497 397 P HA -0.221 nan 4.420 nan 0.000 0.215 397 P C 1.426 178.511 177.300 -0.358 0.000 1.153 397 P CA 1.218 64.183 63.100 -0.226 0.000 0.853 397 P CB 0.393 32.034 31.700 -0.097 0.000 0.788 398 R N -0.254 119.821 120.500 -0.708 0.000 2.115 398 R HA -0.119 4.221 4.340 -0.000 0.000 0.226 398 R C 2.233 178.206 176.300 -0.546 0.000 1.100 398 R CA 1.554 57.266 56.100 -0.647 0.000 0.980 398 R CB -1.664 28.078 30.300 -0.929 0.000 0.875 398 R HN 0.257 nan 8.270 nan 0.000 0.445 399 H N -0.760 117.976 119.070 -0.557 0.000 2.428 399 H HA -0.000 4.555 4.556 -0.000 0.000 0.296 399 H C 1.493 176.642 175.328 -0.299 0.000 1.062 399 H CA 1.385 57.199 56.048 -0.390 0.000 1.350 399 H CB -0.086 29.408 29.762 -0.447 0.000 1.403 399 H HN 0.106 nan 8.280 nan 0.000 0.533 400 L N 1.071 122.167 121.223 -0.212 0.000 2.017 400 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 400 L C 1.901 178.612 176.870 -0.265 0.000 1.073 400 L CA 1.742 56.410 54.840 -0.288 0.000 0.745 400 L CB -0.433 41.483 42.059 -0.239 0.000 0.894 400 L HN 0.230 nan 8.230 nan 0.000 0.432 401 E N -0.306 119.828 120.200 -0.109 0.000 2.049 401 E HA -0.278 4.072 4.350 -0.000 0.000 0.198 401 E C 2.234 178.834 176.600 -0.000 0.000 1.007 401 E CA 2.050 58.460 56.400 0.017 0.000 0.809 401 E CB -0.325 29.382 29.700 0.012 0.000 0.749 401 E HN 0.572 nan 8.360 nan 0.000 0.450 402 I N 0.840 121.387 120.570 -0.039 0.000 2.286 402 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 402 I C 2.316 178.477 176.117 0.074 0.000 1.115 402 I CA 0.952 62.300 61.300 0.080 0.000 1.392 402 I CB -0.231 37.777 38.000 0.014 0.000 1.065 402 I HN 0.136 nan 8.210 nan 0.000 0.418 403 I N -0.537 120.000 120.570 -0.055 0.000 2.252 403 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 403 I C 2.426 178.524 176.117 -0.031 0.000 1.102 403 I CA 1.378 62.629 61.300 -0.082 0.000 1.385 403 I CB -0.395 37.489 38.000 -0.194 0.000 1.064 403 I HN 0.135 nan 8.210 nan 0.000 0.414 404 Y N 1.018 121.299 120.300 -0.031 0.000 2.181 404 Y HA -0.260 4.290 4.550 -0.000 0.000 0.288 404 Y C 2.598 178.443 175.900 -0.093 0.000 1.146 404 Y CA 1.483 59.553 58.100 -0.049 0.000 1.164 404 Y CB -0.727 37.696 38.460 -0.062 0.000 0.982 404 Y HN 0.172 nan 8.280 nan 0.000 0.515 405 E N 0.486 120.695 120.200 0.015 0.000 2.031 405 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 405 E C 2.128 178.640 176.600 -0.145 0.000 0.994 405 E CA 1.602 57.873 56.400 -0.215 0.000 0.800 405 E CB -0.598 28.761 29.700 -0.568 0.000 0.752 405 E HN 0.448 nan 8.360 nan 0.000 0.447 406 I N 0.749 121.312 120.570 -0.011 0.000 2.145 406 I HA -0.360 3.810 4.170 -0.000 0.000 0.244 406 I C 2.326 178.433 176.117 -0.017 0.000 1.075 406 I CA 1.665 62.908 61.300 -0.096 0.000 1.332 406 I CB -0.504 37.425 38.000 -0.118 0.000 1.033 406 I HN 0.240 nan 8.210 nan 0.000 0.410 407 N N 0.482 119.220 118.700 0.064 0.000 2.120 407 N HA -0.255 4.485 4.740 -0.000 0.000 0.188 407 N C 1.800 177.396 175.510 0.142 0.000 1.024 407 N CA 1.408 54.559 53.050 0.169 0.000 0.852 407 N CB -0.115 38.488 38.487 0.194 0.000 1.003 407 N HN 0.220 nan 8.380 nan 0.000 0.424 408 Q N 0.673 120.498 119.800 0.042 0.000 2.061 408 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 408 Q C 1.429 177.413 176.000 -0.026 0.000 0.984 408 Q CA 1.648 57.440 55.803 -0.019 0.000 0.846 408 Q CB -0.068 28.616 28.738 -0.091 0.000 0.902 408 Q HN 0.177 nan 8.270 nan 0.000 0.421 409 K N -0.667 119.704 120.400 -0.048 0.000 2.211 409 K HA -0.157 4.163 4.320 -0.000 0.000 0.203 409 K C 2.011 178.656 176.600 0.076 0.000 1.050 409 K CA 1.367 57.639 56.287 -0.025 0.000 0.945 409 K CB -0.503 31.954 32.500 -0.072 0.000 0.732 409 K HN 0.457 nan 8.250 nan 0.000 0.451 410 H N 1.345 120.423 119.070 0.013 0.000 2.299 410 H HA 0.054 4.610 4.556 -0.000 0.000 0.302 410 H C 1.905 177.263 175.328 0.050 0.000 1.078 410 H CA 1.528 57.618 56.048 0.070 0.000 1.323 410 H CB -0.262 29.558 29.762 0.097 0.000 1.381 410 H HN 0.003 nan 8.280 nan 0.000 0.498 411 L N -0.012 121.116 121.223 -0.158 0.000 2.109 411 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 411 L C 2.030 178.833 176.870 -0.111 0.000 1.086 411 L CA 1.099 55.809 54.840 -0.216 0.000 0.760 411 L CB -0.365 41.634 42.059 -0.099 0.000 0.910 411 L HN 0.294 nan 8.230 nan 0.000 0.437 412 D N 0.149 120.515 120.400 -0.057 0.000 2.149 412 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 412 D C 2.350 178.639 176.300 -0.018 0.000 0.990 412 D CA 0.975 54.954 54.000 -0.034 0.000 0.839 412 D CB -0.105 40.678 40.800 -0.029 0.000 0.948 412 D HN 0.165 nan 8.370 nan 0.000 0.460 413 R N 0.242 120.738 120.500 -0.007 0.000 2.090 413 R HA 0.046 4.386 4.340 -0.000 0.000 0.228 413 R C 2.531 178.852 176.300 0.035 0.000 1.110 413 R CA 0.231 56.347 56.100 0.026 0.000 0.973 413 R CB -0.553 29.791 30.300 0.073 0.000 0.869 413 R HN 0.338 nan 8.270 nan 0.000 0.440 414 I N 0.210 120.775 120.570 -0.008 0.000 2.233 414 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 414 I C 2.253 178.448 176.117 0.130 0.000 1.093 414 I CA 0.832 62.177 61.300 0.075 0.000 1.380 414 I CB -0.271 37.655 38.000 -0.123 0.000 1.067 414 I HN -0.145 nan 8.210 nan 0.000 0.413 415 V N 1.240 121.171 119.914 0.029 0.000 2.453 415 V HA -0.339 3.781 4.120 -0.000 0.000 0.252 415 V C 2.612 178.723 176.094 0.028 0.000 1.068 415 V CA 2.019 64.337 62.300 0.029 0.000 1.070 415 V CB -1.017 30.803 31.823 -0.006 0.000 0.664 415 V HN 0.498 nan 8.190 nan 0.000 0.461 416 A N 0.115 122.942 122.820 0.012 0.000 1.832 416 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 416 A C 2.116 179.656 177.584 -0.074 0.000 1.200 416 A CA 1.674 53.699 52.037 -0.021 0.000 0.610 416 A CB -0.557 18.432 19.000 -0.017 0.000 0.842 416 A HN 0.482 nan 8.150 nan 0.000 0.444 417 L N -2.182 118.977 121.223 -0.108 0.000 2.191 417 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 417 L C 0.157 176.581 176.870 -0.743 0.000 1.103 417 L CA 0.832 55.420 54.840 -0.420 0.000 0.769 417 L CB -0.413 41.361 42.059 -0.474 0.000 0.908 417 L HN 0.366 nan 8.230 nan 0.000 0.438 418 F N -1.673 118.253 119.950 -0.041 0.000 2.584 418 F HA 0.342 4.868 4.527 -0.000 0.000 0.328 418 F C -1.691 174.085 175.800 -0.040 0.000 1.407 418 F CA -1.943 56.032 58.000 -0.041 0.000 1.145 418 F CB 0.105 39.074 39.000 -0.051 0.000 1.440 418 F HN -0.251 nan 8.300 nan 0.000 0.580 419 P HA -0.235 nan 4.420 nan 0.000 0.217 419 P C 1.505 178.829 177.300 0.040 0.000 1.158 419 P CA 1.710 64.830 63.100 0.033 0.000 0.887 419 P CB 0.420 32.120 31.700 -0.001 0.000 0.792 420 K N -1.054 119.376 120.400 0.050 0.000 2.021 420 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 420 K C 0.727 177.348 176.600 0.036 0.000 1.047 420 K CA 0.573 56.882 56.287 0.037 0.000 0.943 420 K CB -1.143 31.376 32.500 0.032 0.000 0.725 420 K HN -0.005 nan 8.250 nan 0.000 0.439 421 D N 1.210 121.644 120.400 0.056 0.000 2.512 421 D HA -0.080 4.560 4.640 -0.000 0.000 0.283 421 D C 1.001 177.297 176.300 -0.007 0.000 1.456 421 D CA 0.077 54.088 54.000 0.018 0.000 1.224 421 D CB 0.335 41.135 40.800 0.001 0.000 1.140 421 D HN 0.029 nan 8.370 nan 0.000 0.553 422 V N 0.978 120.887 119.914 -0.007 0.000 2.488 422 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 422 V C 1.791 177.872 176.094 -0.022 0.000 1.046 422 V CA 1.466 63.758 62.300 -0.013 0.000 1.053 422 V CB -0.366 31.454 31.823 -0.006 0.000 0.679 422 V HN 0.256 nan 8.190 nan 0.000 0.458 423 D N 0.201 120.586 120.400 -0.024 0.000 2.264 423 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 423 D C 2.258 178.529 176.300 -0.047 0.000 0.966 423 D CA 1.001 54.986 54.000 -0.024 0.000 0.864 423 D CB -0.149 40.640 40.800 -0.018 0.000 0.933 423 D HN 0.452 nan 8.370 nan 0.000 0.499 424 R N -0.405 120.044 120.500 -0.086 0.000 2.075 424 R HA -0.009 4.331 4.340 -0.000 0.000 0.232 424 R C 2.224 178.438 176.300 -0.144 0.000 1.126 424 R CA 0.770 56.777 56.100 -0.155 0.000 0.963 424 R CB -0.141 30.004 30.300 -0.258 0.000 0.858 424 R HN 0.243 nan 8.270 nan 0.000 0.435 425 L N 0.145 121.305 121.223 -0.106 0.000 2.083 425 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 425 L C 2.808 179.663 176.870 -0.024 0.000 1.083 425 L CA 1.429 56.216 54.840 -0.087 0.000 0.752 425 L CB -0.466 41.559 42.059 -0.058 0.000 0.899 425 L HN 0.277 nan 8.230 nan 0.000 0.433 426 R N 0.415 120.914 120.500 -0.003 0.000 2.081 426 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 426 R C 2.424 178.775 176.300 0.085 0.000 1.131 426 R CA 1.287 57.412 56.100 0.041 0.000 0.960 426 R CB -0.020 30.298 30.300 0.030 0.000 0.856 426 R HN 0.309 nan 8.270 nan 0.000 0.436 427 R N -0.378 120.155 120.500 0.055 0.000 2.115 427 R HA -0.003 4.337 4.340 -0.000 0.000 0.226 427 R C 1.962 178.376 176.300 0.190 0.000 1.100 427 R CA 1.377 57.546 56.100 0.115 0.000 0.980 427 R CB -0.032 30.293 30.300 0.043 0.000 0.875 427 R HN 0.311 nan 8.270 nan 0.000 0.445 428 M N 0.194 119.808 119.600 0.024 0.000 2.428 428 M HA 0.084 4.564 4.480 -0.000 0.000 0.239 428 M C 0.712 177.202 176.300 0.316 0.000 1.121 428 M CA -0.070 55.193 55.300 -0.061 0.000 1.019 428 M CB 0.656 32.987 32.600 -0.448 0.000 1.485 428 M HN -0.102 nan 8.290 nan 0.000 0.484 429 S N 1.066 116.956 115.700 0.318 0.000 2.568 429 S HA 0.162 4.632 4.470 -0.000 0.000 0.282 429 S C 1.036 175.932 174.600 0.494 0.000 1.338 429 S CA -0.359 58.060 58.200 0.365 0.000 1.045 429 S CB 0.671 64.007 63.200 0.227 0.000 0.873 429 S HN 0.418 nan 8.310 nan 0.000 0.516 430 L N 3.539 124.983 121.223 0.369 0.000 2.478 430 L HA 0.168 4.508 4.340 -0.000 0.000 0.223 430 L C 0.065 177.038 176.870 0.172 0.000 1.140 430 L CA 0.286 55.287 54.840 0.269 0.000 0.842 430 L CB -0.257 41.889 42.059 0.145 0.000 0.953 430 L HN 0.522 nan 8.230 nan 0.000 0.452 431 I N 0.213 120.899 120.570 0.193 0.000 2.404 431 I HA 0.233 4.402 4.170 -0.000 0.000 0.293 431 I C 0.065 176.258 176.117 0.128 0.000 0.992 431 I CA -0.353 61.037 61.300 0.149 0.000 1.149 431 I CB 1.595 39.714 38.000 0.199 0.000 1.315 431 I HN 0.039 nan 8.210 nan 0.000 0.446 432 E N 4.643 124.894 120.200 0.086 0.000 2.055 432 E HA 0.232 4.582 4.350 -0.000 0.000 0.274 432 E C -0.115 176.526 176.600 0.070 0.000 0.949 432 E CA -0.129 56.312 56.400 0.068 0.000 0.775 432 E CB 1.181 30.900 29.700 0.032 0.000 1.097 432 E HN 0.457 nan 8.360 nan 0.000 0.404 433 E N 1.718 121.959 120.200 0.069 0.000 2.479 433 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 433 E C -0.540 176.088 176.600 0.047 0.000 1.049 433 E CA 0.093 56.529 56.400 0.061 0.000 0.870 433 E CB 0.270 30.003 29.700 0.055 0.000 0.944 433 E HN 0.363 nan 8.360 nan 0.000 0.492 434 E N 0.775 121.000 120.200 0.043 0.000 2.214 434 E HA 0.187 4.537 4.350 -0.000 0.000 0.291 434 E C 0.885 177.505 176.600 0.034 0.000 1.137 434 E CA 0.563 56.984 56.400 0.035 0.000 1.175 434 E CB -0.552 29.167 29.700 0.032 0.000 1.071 434 E HN 0.332 nan 8.360 nan 0.000 0.467 435 G N 1.439 110.259 108.800 0.034 0.000 3.675 435 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.275 435 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.275 435 G C 0.178 175.102 174.900 0.040 0.000 1.648 435 G CA -0.168 44.952 45.100 0.033 0.000 1.093 435 G HN 0.418 nan 8.290 nan 0.000 0.617 436 S N 2.681 118.406 115.700 0.042 0.000 2.494 436 S HA 0.461 4.931 4.470 -0.000 0.000 0.312 436 S C 0.264 174.899 174.600 0.059 0.000 1.121 436 S CA -0.071 58.160 58.200 0.051 0.000 1.068 436 S CB 0.919 64.149 63.200 0.050 0.000 1.141 436 S HN 0.558 nan 8.310 nan 0.000 0.527 437 K N 3.778 124.218 120.400 0.067 0.000 2.472 437 K HA 0.085 4.405 4.320 -0.000 0.000 0.280 437 K C 0.690 177.342 176.600 0.086 0.000 1.028 437 K CA 0.331 56.665 56.287 0.079 0.000 1.045 437 K CB 0.305 32.863 32.500 0.096 0.000 0.902 437 K HN 0.657 nan 8.250 nan 0.000 0.478 438 R N 2.222 122.768 120.500 0.075 0.000 2.799 438 R HA 0.496 4.836 4.340 -0.000 0.000 0.270 438 R C -0.861 175.469 176.300 0.050 0.000 1.010 438 R CA -0.979 55.165 56.100 0.074 0.000 0.916 438 R CB 0.840 31.177 30.300 0.061 0.000 1.228 438 R HN 0.306 nan 8.270 nan 0.000 0.469 439 I N 1.648 122.247 120.570 0.050 0.000 2.365 439 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 439 I C -0.050 176.040 176.117 -0.044 0.000 1.004 439 I CA -0.824 60.485 61.300 0.015 0.000 1.311 439 I CB 1.319 39.330 38.000 0.018 0.000 1.401 439 I HN 0.542 nan 8.210 nan 0.000 0.491 440 N N 7.716 126.365 118.700 -0.085 0.000 2.482 440 N HA 0.098 4.838 4.740 -0.000 0.000 0.242 440 N C 0.774 176.180 175.510 -0.173 0.000 1.100 440 N CA -0.344 52.583 53.050 -0.204 0.000 0.946 440 N CB 0.838 39.086 38.487 -0.399 0.000 1.227 440 N HN 0.538 nan 8.380 nan 0.000 0.508 441 M N 2.017 121.518 119.600 -0.165 0.000 2.202 441 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 441 M C 1.916 178.069 176.300 -0.245 0.000 1.063 441 M CA 0.906 56.115 55.300 -0.152 0.000 1.097 441 M CB -1.630 30.911 32.600 -0.099 0.000 1.382 441 M HN 0.578 nan 8.290 nan 0.000 0.413 442 A N -0.600 122.081 122.820 -0.232 0.000 1.930 442 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 442 A C 1.995 179.376 177.584 -0.339 0.000 1.175 442 A CA 1.465 53.333 52.037 -0.282 0.000 0.627 442 A CB -1.125 17.900 19.000 0.041 0.000 0.815 442 A HN 0.606 nan 8.150 nan 0.000 0.443 443 H N -1.526 117.353 119.070 -0.318 0.000 2.389 443 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 443 H C 2.081 177.222 175.328 -0.311 0.000 1.081 443 H CA 1.179 57.010 56.048 -0.362 0.000 1.345 443 H CB 0.010 29.732 29.762 -0.067 0.000 1.393 443 H HN 0.450 nan 8.280 nan 0.000 0.520 444 L N 0.441 121.597 121.223 -0.112 0.000 2.083 444 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 444 L C 2.143 178.877 176.870 -0.226 0.000 1.083 444 L CA 1.356 56.120 54.840 -0.127 0.000 0.752 444 L CB -0.575 41.417 42.059 -0.112 0.000 0.899 444 L HN 0.274 nan 8.230 nan 0.000 0.433 445 C N -0.499 118.549 119.300 -0.419 0.000 2.440 445 C HA -0.038 4.422 4.460 -0.000 0.000 0.278 445 C C 2.659 177.391 174.990 -0.429 0.000 1.295 445 C CA 0.683 59.345 59.018 -0.593 0.000 1.738 445 C CB -0.861 26.088 27.740 -1.318 0.000 1.987 445 C HN 0.606 nan 8.230 nan 0.000 0.492 446 I N 1.529 121.841 120.570 -0.430 0.000 2.163 446 I HA -0.166 4.004 4.170 -0.000 0.000 0.240 446 I C 2.551 178.577 176.117 -0.152 0.000 1.081 446 I CA 1.915 63.013 61.300 -0.337 0.000 1.353 446 I CB -0.592 37.039 38.000 -0.614 0.000 1.054 446 I HN 0.313 nan 8.210 nan 0.000 0.407 447 V N -0.875 118.991 119.914 -0.081 0.000 2.667 447 V HA 0.024 4.144 4.120 -0.000 0.000 0.252 447 V C 2.029 178.215 176.094 0.153 0.000 1.065 447 V CA 1.769 64.132 62.300 0.104 0.000 1.083 447 V CB -1.345 30.540 31.823 0.105 0.000 0.692 447 V HN 0.406 nan 8.190 nan 0.000 0.468 448 G N -0.191 108.645 108.800 0.061 0.000 2.985 448 G HA2 0.231 4.191 3.960 -0.000 0.000 0.209 448 G HA3 0.231 4.191 3.960 -0.000 0.000 0.209 448 G C 0.559 175.392 174.900 -0.110 0.000 1.165 448 G CA 0.579 45.643 45.100 -0.060 0.000 0.776 448 G HN 0.564 nan 8.290 nan 0.000 0.541 449 S N -0.471 115.187 115.700 -0.071 0.000 2.578 449 S HA 0.339 4.809 4.470 -0.000 0.000 0.301 449 S C 0.789 175.371 174.600 -0.029 0.000 1.091 449 S CA -0.665 57.528 58.200 -0.013 0.000 1.032 449 S CB 1.282 64.465 63.200 -0.029 0.000 1.064 449 S HN 0.516 nan 8.310 nan 0.000 0.508 450 H N -0.275 118.787 119.070 -0.014 0.000 2.563 450 H HA 0.524 5.080 4.556 -0.000 0.000 0.264 450 H C 0.100 175.400 175.328 -0.048 0.000 0.957 450 H CA 0.203 56.231 56.048 -0.033 0.000 1.173 450 H CB 0.190 29.942 29.762 -0.017 0.000 1.420 450 H HN 0.512 nan 8.280 nan 0.000 0.551 451 A N 0.986 123.539 122.820 -0.444 0.000 2.520 451 A HA 0.553 4.873 4.320 -0.000 0.000 0.298 451 A C -1.467 175.914 177.584 -0.337 0.000 1.051 451 A CA -0.568 51.248 52.037 -0.368 0.000 0.690 451 A CB 2.237 20.999 19.000 -0.397 0.000 1.281 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 3.933 123.593 119.914 -0.423 0.000 2.577 452 V HA 0.577 4.697 4.120 -0.000 0.000 0.303 452 V C -0.705 175.159 176.094 -0.383 0.000 1.042 452 V CA -0.738 61.277 62.300 -0.475 0.000 0.872 452 V CB 1.849 33.174 31.823 -0.829 0.000 0.998 452 V HN 1.037 nan 8.190 nan 0.000 0.423 453 N N 2.877 121.380 118.700 -0.328 0.000 2.262 453 N HA 0.629 5.369 4.740 -0.000 0.000 0.295 453 N C -0.350 175.054 175.510 -0.177 0.000 1.161 453 N CA -0.395 52.523 53.050 -0.220 0.000 0.767 453 N CB 2.909 41.249 38.487 -0.245 0.000 1.499 453 N HN 0.655 nan 8.380 nan 0.000 0.476 454 G N -0.893 107.863 108.800 -0.074 0.000 2.531 454 G HA2 0.439 4.399 3.960 -0.000 0.000 0.313 454 G HA3 0.439 4.399 3.960 -0.000 0.000 0.313 454 G C 0.677 175.670 174.900 0.155 0.000 1.238 454 G CA -0.493 44.659 45.100 0.087 0.000 0.994 454 G HN 0.672 nan 8.290 nan 0.000 0.493 455 V N -3.740 116.357 119.914 0.306 0.000 3.319 455 V HA 0.704 4.824 4.120 -0.000 0.000 0.317 455 V C 0.483 176.662 176.094 0.142 0.000 1.411 455 V CA 0.326 62.714 62.300 0.148 0.000 1.112 455 V CB -0.597 31.275 31.823 0.083 0.000 1.031 455 V HN 1.362 nan 8.190 nan 0.000 0.448 456 A N -0.473 122.451 122.820 0.174 0.000 2.577 456 A HA 0.570 4.890 4.320 -0.000 0.000 0.297 456 A C 0.471 178.130 177.584 0.124 0.000 1.060 456 A CA -0.337 51.782 52.037 0.137 0.000 0.697 456 A CB 1.297 20.364 19.000 0.112 0.000 1.281 456 A HN 0.033 nan 8.150 nan 0.000 0.402 457 K N 0.994 121.445 120.400 0.084 0.000 2.032 457 K HA -0.225 4.095 4.320 -0.000 0.000 0.218 457 K C 1.712 178.337 176.600 0.042 0.000 1.054 457 K CA 2.220 58.537 56.287 0.050 0.000 0.941 457 K CB -0.277 32.247 32.500 0.040 0.000 0.720 457 K HN 0.737 nan 8.250 nan 0.000 0.449 458 I N 0.595 121.197 120.570 0.053 0.000 2.264 458 I HA -0.330 3.840 4.170 -0.000 0.000 0.248 458 I C 2.518 178.663 176.117 0.047 0.000 1.111 458 I CA 1.687 63.010 61.300 0.038 0.000 1.382 458 I CB -0.123 37.899 38.000 0.035 0.000 1.060 458 I HN 0.265 nan 8.210 nan 0.000 0.418 459 H N 0.382 119.449 119.070 -0.005 0.000 2.299 459 H HA -0.105 4.451 4.556 -0.000 0.000 0.302 459 H C 2.298 177.626 175.328 -0.001 0.000 1.078 459 H CA 2.217 58.259 56.048 -0.010 0.000 1.323 459 H CB -0.310 29.448 29.762 -0.007 0.000 1.381 459 H HN 0.255 nan 8.280 nan 0.000 0.498 460 S N -0.162 115.444 115.700 -0.157 0.000 2.400 460 S HA -0.175 4.295 4.470 -0.000 0.000 0.232 460 S C 1.747 176.281 174.600 -0.112 0.000 1.025 460 S CA 1.372 59.471 58.200 -0.168 0.000 0.993 460 S CB -0.339 62.839 63.200 -0.038 0.000 0.808 460 S HN 0.631 nan 8.310 nan 0.000 0.478 461 D N 1.530 121.884 120.400 -0.077 0.000 2.084 461 D HA -0.059 4.581 4.640 -0.000 0.000 0.194 461 D C 1.737 177.982 176.300 -0.091 0.000 0.990 461 D CA 1.107 55.071 54.000 -0.060 0.000 0.826 461 D CB -0.300 40.478 40.800 -0.036 0.000 0.971 461 D HN 0.355 nan 8.370 nan 0.000 0.453 462 I N -0.229 120.275 120.570 -0.111 0.000 2.286 462 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 462 I C 2.357 178.370 176.117 -0.173 0.000 1.115 462 I CA 0.464 61.689 61.300 -0.124 0.000 1.392 462 I CB -0.062 37.880 38.000 -0.097 0.000 1.065 462 I HN 0.023 nan 8.210 nan 0.000 0.418 463 V N 0.964 120.747 119.914 -0.219 0.000 2.358 463 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 463 V C 2.508 178.584 176.094 -0.030 0.000 1.047 463 V CA 2.006 64.219 62.300 -0.145 0.000 1.035 463 V CB -0.609 31.146 31.823 -0.113 0.000 0.658 463 V HN 0.429 nan 8.190 nan 0.000 0.452 464 K N 0.309 120.668 120.400 -0.069 0.000 2.031 464 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 464 K C 2.140 178.586 176.600 -0.256 0.000 1.049 464 K CA 1.934 58.072 56.287 -0.248 0.000 0.939 464 K CB -0.184 32.246 32.500 -0.116 0.000 0.717 464 K HN 0.640 nan 8.250 nan 0.000 0.438 465 T N -2.116 112.348 114.554 -0.151 0.000 3.051 465 T HA 0.143 4.493 4.350 -0.000 0.000 0.255 465 T C 1.423 176.061 174.700 -0.104 0.000 1.085 465 T CA 0.238 62.268 62.100 -0.117 0.000 1.109 465 T CB 0.269 69.089 68.868 -0.081 0.000 0.921 465 T HN 0.146 nan 8.240 nan 0.000 0.488 466 K N 0.532 120.859 120.400 -0.122 0.000 2.629 466 K HA 0.360 4.680 4.320 -0.000 0.000 0.239 466 K C 2.157 178.662 176.600 -0.157 0.000 1.102 466 K CA 0.427 56.644 56.287 -0.117 0.000 1.019 466 K CB -0.427 32.005 32.500 -0.114 0.000 1.481 466 K HN -0.062 nan 8.250 nan 0.000 0.455 467 V N 1.379 121.131 119.914 -0.271 0.000 2.313 467 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 467 V C 1.333 177.123 176.094 -0.507 0.000 1.070 467 V CA 1.892 63.893 62.300 -0.498 0.000 1.057 467 V CB -0.484 30.830 31.823 -0.849 0.000 0.653 467 V HN 0.289 nan 8.190 nan 0.000 0.450 468 F N -1.190 118.764 119.950 0.008 0.000 2.855 468 F HA 0.311 4.838 4.527 -0.000 0.000 0.317 468 F C 1.610 177.387 175.800 -0.038 0.000 1.169 468 F CA -0.315 57.726 58.000 0.069 0.000 1.299 468 F CB 0.101 39.128 39.000 0.045 0.000 0.962 468 F HN -0.095 nan 8.300 nan 0.000 0.506 469 K N 0.953 121.380 120.400 0.045 0.000 2.034 469 K HA -0.228 4.092 4.320 -0.000 0.000 0.214 469 K C 1.351 177.936 176.600 -0.026 0.000 1.051 469 K CA 2.295 58.556 56.287 -0.044 0.000 0.931 469 K CB -0.017 32.453 32.500 -0.050 0.000 0.715 469 K HN 0.178 nan 8.250 nan 0.000 0.446 470 D N -0.319 120.077 120.400 -0.007 0.000 2.190 470 D HA -0.181 4.459 4.640 -0.000 0.000 0.200 470 D C 1.727 177.907 176.300 -0.200 0.000 0.992 470 D CA 1.271 55.166 54.000 -0.175 0.000 0.854 470 D CB -0.217 40.398 40.800 -0.309 0.000 0.936 470 D HN 0.256 nan 8.370 nan 0.000 0.462 471 F N 0.932 120.885 119.950 0.004 0.000 2.270 471 F HA -0.054 4.473 4.527 -0.000 0.000 0.295 471 F C 2.688 178.543 175.800 0.092 0.000 1.087 471 F CA 0.822 58.882 58.000 0.101 0.000 1.365 471 F CB -0.586 38.554 39.000 0.232 0.000 1.056 471 F HN -0.080 nan 8.300 nan 0.000 0.506 472 S N -0.169 115.507 115.700 -0.040 0.000 2.428 472 S HA -0.126 4.344 4.470 -0.000 0.000 0.230 472 S C 1.638 176.245 174.600 0.012 0.000 1.014 472 S CA 0.999 59.099 58.200 -0.167 0.000 0.957 472 S CB -0.580 62.249 63.200 -0.619 0.000 0.784 472 S HN 0.478 nan 8.310 nan 0.000 0.499 473 E N 1.080 121.277 120.200 -0.006 0.000 2.106 473 E HA 0.039 4.389 4.350 -0.000 0.000 0.192 473 E C 2.039 178.692 176.600 0.088 0.000 0.984 473 E CA 0.885 57.301 56.400 0.026 0.000 0.806 473 E CB -0.270 29.428 29.700 -0.004 0.000 0.750 473 E HN 0.464 nan 8.360 nan 0.000 0.458 474 L N 0.638 121.921 121.223 0.099 0.000 2.156 474 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 474 L C 0.291 177.267 176.870 0.177 0.000 1.095 474 L CA 1.153 56.085 54.840 0.154 0.000 0.770 474 L CB 0.371 42.500 42.059 0.118 0.000 0.914 474 L HN -0.002 nan 8.230 nan 0.000 0.439 475 E N -1.092 119.234 120.200 0.211 0.000 2.923 475 E HA 0.149 4.499 4.350 -0.000 0.000 0.266 475 E C -2.030 174.727 176.600 0.262 0.000 1.157 475 E CA -1.418 55.121 56.400 0.232 0.000 0.795 475 E CB 1.457 31.322 29.700 0.274 0.000 1.454 475 E HN 0.076 nan 8.360 nan 0.000 0.386 476 P HA -0.212 nan 4.420 nan 0.000 0.213 476 P C 0.700 178.112 177.300 0.187 0.000 1.170 476 P CA 1.206 64.398 63.100 0.155 0.000 0.902 476 P CB 0.252 32.011 31.700 0.097 0.000 0.789 477 D N -0.757 119.728 120.400 0.142 0.000 2.384 477 D HA -0.145 4.495 4.640 -0.000 0.000 0.222 477 D C 1.735 178.099 176.300 0.107 0.000 0.976 477 D CA 0.760 54.826 54.000 0.110 0.000 0.915 477 D CB -0.271 40.577 40.800 0.079 0.000 0.896 477 D HN 0.350 nan 8.370 nan 0.000 0.523 478 K N 0.075 120.565 120.400 0.150 0.000 2.103 478 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 478 K C 0.229 176.737 176.600 -0.153 0.000 1.052 478 K CA 0.348 56.641 56.287 0.009 0.000 0.945 478 K CB 0.098 32.592 32.500 -0.010 0.000 0.722 478 K HN -0.118 nan 8.250 nan 0.000 0.443 479 F N 2.036 121.989 119.950 0.005 0.000 2.438 479 F HA 0.252 4.779 4.527 -0.000 0.000 0.356 479 F C 0.349 176.121 175.800 -0.047 0.000 1.099 479 F CA -0.104 57.883 58.000 -0.022 0.000 1.185 479 F CB 1.228 40.233 39.000 0.009 0.000 1.115 479 F HN 0.051 nan 8.300 nan 0.000 0.526 480 Q N 1.370 121.172 119.800 0.003 0.000 2.668 480 Q HA 0.415 4.755 4.340 -0.000 0.000 0.298 480 Q C -1.258 174.701 176.000 -0.070 0.000 1.071 480 Q CA -1.437 54.336 55.803 -0.050 0.000 0.789 480 Q CB 2.652 31.308 28.738 -0.137 0.000 1.497 480 Q HN 0.602 nan 8.270 nan 0.000 0.460 481 N N 0.072 118.716 118.700 -0.093 0.000 2.292 481 N HA 0.357 5.097 4.740 -0.000 0.000 0.303 481 N C -1.779 173.635 175.510 -0.159 0.000 1.140 481 N CA -0.481 52.519 53.050 -0.084 0.000 0.788 481 N CB 1.189 39.655 38.487 -0.036 0.000 1.361 481 N HN 0.220 nan 8.380 nan 0.000 0.489 482 K N 2.049 122.364 120.400 -0.141 0.000 2.790 482 K HA 0.206 4.526 4.320 -0.000 0.000 0.253 482 K C -1.258 175.357 176.600 0.025 0.000 1.082 482 K CA -0.491 55.678 56.287 -0.197 0.000 1.067 482 K CB 1.015 33.138 32.500 -0.628 0.000 1.284 482 K HN 0.647 nan 8.250 nan 0.000 0.529 483 T N 2.501 117.092 114.554 0.062 0.000 2.888 483 T HA 0.100 4.450 4.350 -0.000 0.000 0.301 483 T C 0.756 175.593 174.700 0.228 0.000 1.001 483 T CA 0.052 62.239 62.100 0.145 0.000 1.147 483 T CB 0.264 69.221 68.868 0.149 0.000 0.931 483 T HN 0.237 nan 8.240 nan 0.000 0.541 484 N N 1.142 119.988 118.700 0.244 0.000 2.267 484 N HA 0.433 5.173 4.740 -0.000 0.000 0.226 484 N C 0.498 176.185 175.510 0.294 0.000 1.314 484 N CA 0.260 53.476 53.050 0.276 0.000 0.887 484 N CB 0.463 39.050 38.487 0.166 0.000 1.120 484 N HN 0.866 nan 8.380 nan 0.000 0.440 485 G N -1.266 107.708 108.800 0.290 0.000 2.649 485 G HA2 0.661 4.621 3.960 -0.000 0.000 0.290 485 G HA3 0.661 4.621 3.960 -0.000 0.000 0.290 485 G C -1.260 173.755 174.900 0.191 0.000 1.426 485 G CA -0.692 44.570 45.100 0.269 0.000 0.794 485 G HN 0.569 nan 8.290 nan 0.000 0.483 486 I N -2.231 118.440 120.570 0.169 0.000 2.730 486 I HA 0.717 4.887 4.170 -0.000 0.000 0.298 486 I C -0.212 176.048 176.117 0.237 0.000 1.089 486 I CA -0.942 60.440 61.300 0.137 0.000 1.041 486 I CB 2.420 40.389 38.000 -0.052 0.000 1.235 486 I HN 0.499 nan 8.210 nan 0.000 0.423 487 T N 4.652 119.402 114.554 0.327 0.000 2.814 487 T HA 0.336 4.686 4.350 -0.000 0.000 0.297 487 T C -1.446 173.375 174.700 0.201 0.000 0.956 487 T CA -1.477 60.756 62.100 0.221 0.000 1.123 487 T CB 0.712 69.663 68.868 0.139 0.000 0.902 487 T HN 0.657 nan 8.240 nan 0.000 0.528 488 P HA 0.108 nan 4.420 nan 0.000 0.245 488 P C 0.864 178.125 177.300 -0.066 0.000 1.212 488 P CA 0.114 63.249 63.100 0.059 0.000 0.774 488 P CB 0.387 32.118 31.700 0.052 0.000 0.999 489 R N 0.527 120.950 120.500 -0.129 0.000 2.046 489 R HA 0.088 4.428 4.340 -0.000 0.000 0.223 489 R C 2.667 178.842 176.300 -0.207 0.000 1.179 489 R CA 1.355 57.327 56.100 -0.213 0.000 0.952 489 R CB -1.279 28.907 30.300 -0.190 0.000 0.843 489 R HN -0.008 nan 8.270 nan 0.000 0.439 490 R N -0.591 119.738 120.500 -0.285 0.000 2.083 490 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 490 R C 0.955 176.846 176.300 -0.681 0.000 1.137 490 R CA 1.863 57.627 56.100 -0.560 0.000 0.951 490 R CB -0.272 29.557 30.300 -0.786 0.000 0.851 490 R HN 0.287 nan 8.270 nan 0.000 0.434 491 W N -0.086 121.164 121.300 -0.083 0.000 3.438 491 W HA 0.260 4.919 4.660 -0.000 0.000 0.322 491 W C 1.149 177.630 176.519 -0.064 0.000 1.261 491 W CA -0.435 56.858 57.345 -0.087 0.000 1.788 491 W CB 0.303 29.712 29.460 -0.085 0.000 1.065 491 W HN 0.209 nan 8.180 nan 0.000 0.715 492 L N -2.199 119.049 121.223 0.041 0.000 2.208 492 L HA 0.064 4.404 4.340 -0.000 0.000 0.133 492 L C 1.992 178.862 176.870 -0.000 0.000 1.385 492 L CA -0.006 54.864 54.840 0.052 0.000 1.030 492 L CB -0.738 41.383 42.059 0.104 0.000 2.075 492 L HN -0.209 nan 8.230 nan 0.000 0.482 493 L N 0.826 122.030 121.223 -0.033 0.000 1.990 493 L HA -0.299 4.041 4.340 -0.000 0.000 0.213 493 L C 2.444 179.275 176.870 -0.064 0.000 1.072 493 L CA 2.008 56.820 54.840 -0.047 0.000 0.755 493 L CB -0.493 41.503 42.059 -0.105 0.000 0.889 493 L HN 0.428 nan 8.230 nan 0.000 0.432 494 L N 0.152 121.303 121.223 -0.119 0.000 1.988 494 L HA -0.243 4.097 4.340 -0.000 0.000 0.207 494 L C 2.955 179.743 176.870 -0.136 0.000 1.071 494 L CA 1.934 56.688 54.840 -0.144 0.000 0.744 494 L CB -0.170 41.752 42.059 -0.229 0.000 0.893 494 L HN 0.584 nan 8.230 nan 0.000 0.433 495 C N -1.226 117.975 119.300 -0.165 0.000 2.448 495 C HA 0.069 4.528 4.460 -0.000 0.000 0.280 495 C C 1.305 176.258 174.990 -0.061 0.000 1.398 495 C CA 0.030 58.972 59.018 -0.127 0.000 1.774 495 C CB -1.193 26.463 27.740 -0.140 0.000 1.888 495 C HN 0.639 nan 8.230 nan 0.000 0.519 496 N N 1.025 119.703 118.700 -0.037 0.000 2.703 496 N HA 0.261 5.001 4.740 -0.000 0.000 0.283 496 N C -1.649 173.860 175.510 -0.003 0.000 1.851 496 N CA -1.606 51.436 53.050 -0.013 0.000 0.826 496 N CB 0.664 39.152 38.487 0.002 0.000 1.239 496 N HN 0.243 nan 8.380 nan 0.000 0.495 497 P HA -0.090 nan 4.420 nan 0.000 0.216 497 P C 1.433 178.739 177.300 0.010 0.000 1.150 497 P CA 1.111 64.213 63.100 0.003 0.000 0.837 497 P CB 0.152 31.848 31.700 -0.006 0.000 0.786 498 G N 0.707 109.507 108.800 0.001 0.000 2.469 498 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 498 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 498 G C 1.680 176.577 174.900 -0.005 0.000 1.150 498 G CA 0.459 45.556 45.100 -0.004 0.000 0.763 498 G HN 0.254 nan 8.290 nan 0.000 0.561 499 L N 0.363 121.584 121.223 -0.004 0.000 2.044 499 L HA 0.028 4.368 4.340 -0.000 0.000 0.205 499 L C 3.317 180.194 176.870 0.011 0.000 1.075 499 L CA 1.404 56.238 54.840 -0.010 0.000 0.747 499 L CB -0.441 41.613 42.059 -0.008 0.000 0.903 499 L HN 0.333 nan 8.230 nan 0.000 0.435 500 A N -0.240 122.612 122.820 0.054 0.000 1.940 500 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 500 A C 2.151 179.823 177.584 0.146 0.000 1.176 500 A CA 2.064 54.190 52.037 0.148 0.000 0.631 500 A CB -0.576 18.515 19.000 0.151 0.000 0.814 500 A HN 0.623 nan 8.150 nan 0.000 0.446 501 E N -0.362 119.885 120.200 0.078 0.000 2.072 501 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 501 E C 1.991 178.618 176.600 0.045 0.000 0.985 501 E CA 0.948 57.386 56.400 0.063 0.000 0.801 501 E CB -0.235 29.485 29.700 0.034 0.000 0.750 501 E HN 0.570 nan 8.360 nan 0.000 0.452 502 L N 0.849 122.086 121.223 0.023 0.000 2.017 502 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 502 L C 2.427 179.314 176.870 0.028 0.000 1.073 502 L CA 1.294 56.150 54.840 0.026 0.000 0.745 502 L CB -0.246 41.812 42.059 -0.001 0.000 0.894 502 L HN 0.332 nan 8.230 nan 0.000 0.432 503 I N -0.098 120.458 120.570 -0.024 0.000 2.179 503 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 503 I C 2.789 178.839 176.117 -0.113 0.000 1.088 503 I CA 1.228 62.438 61.300 -0.149 0.000 1.357 503 I CB -0.589 37.164 38.000 -0.412 0.000 1.051 503 I HN 0.276 nan 8.210 nan 0.000 0.409 504 A N 0.479 123.333 122.820 0.056 0.000 1.978 504 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 504 A C 2.168 179.791 177.584 0.065 0.000 1.170 504 A CA 1.858 54.004 52.037 0.181 0.000 0.636 504 A CB -0.619 18.522 19.000 0.236 0.000 0.810 504 A HN 0.496 nan 8.150 nan 0.000 0.448 505 E N -0.605 119.605 120.200 0.017 0.000 2.150 505 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 505 E C 1.907 178.469 176.600 -0.063 0.000 0.985 505 E CA 0.947 57.342 56.400 -0.008 0.000 0.814 505 E CB -0.005 29.693 29.700 -0.004 0.000 0.752 505 E HN 0.338 nan 8.360 nan 0.000 0.466 506 K N 0.501 120.802 120.400 -0.165 0.000 2.044 506 K HA 0.000 4.320 4.320 -0.000 0.000 0.204 506 K C 2.076 178.604 176.600 -0.121 0.000 1.049 506 K CA 0.955 57.040 56.287 -0.336 0.000 0.945 506 K CB 0.165 32.116 32.500 -0.915 0.000 0.724 506 K HN 0.311 nan 8.250 nan 0.000 0.440 507 I N -3.719 116.809 120.570 -0.069 0.000 4.050 507 I HA 0.350 4.520 4.170 -0.000 0.000 0.327 507 I C 0.352 176.524 176.117 0.090 0.000 1.473 507 I CA -0.148 61.173 61.300 0.036 0.000 1.124 507 I CB 0.686 38.706 38.000 0.034 0.000 1.129 507 I HN 0.109 nan 8.210 nan 0.000 0.428 508 G N 2.065 110.926 108.800 0.102 0.000 2.710 508 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.668 508 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.668 508 G C -0.135 174.903 174.900 0.229 0.000 1.320 508 G CA 0.065 45.243 45.100 0.129 0.000 0.860 508 G HN 0.450 nan 8.290 nan 0.000 0.538 509 E N -0.421 119.858 120.200 0.131 0.000 2.472 509 E HA 0.067 4.417 4.350 -0.000 0.000 0.196 509 E C 1.248 177.792 176.600 -0.094 0.000 1.033 509 E CA 0.221 56.628 56.400 0.011 0.000 0.886 509 E CB 0.161 29.855 29.700 -0.011 0.000 0.944 509 E HN 0.456 nan 8.360 nan 0.000 0.492 510 D N 0.854 121.275 120.400 0.036 0.000 2.228 510 D HA -0.212 4.428 4.640 -0.000 0.000 0.203 510 D C 1.701 178.008 176.300 0.012 0.000 0.988 510 D CA 1.046 55.062 54.000 0.026 0.000 0.864 510 D CB -0.265 40.574 40.800 0.065 0.000 0.928 510 D HN 0.478 nan 8.370 nan 0.000 0.469 511 Y N -0.327 119.981 120.300 0.013 0.000 2.333 511 Y HA -0.128 4.422 4.550 -0.000 0.000 0.290 511 Y C 2.031 177.916 175.900 -0.026 0.000 1.144 511 Y CA 0.437 58.537 58.100 -0.000 0.000 1.228 511 Y CB -0.875 37.585 38.460 0.000 0.000 0.985 511 Y HN -0.164 nan 8.280 nan 0.000 0.542 512 V N 1.312 120.770 119.914 -0.759 0.000 2.287 512 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 512 V C 2.131 178.045 176.094 -0.301 0.000 1.053 512 V CA 2.501 64.418 62.300 -0.639 0.000 1.027 512 V CB -0.577 30.801 31.823 -0.742 0.000 0.646 512 V HN 0.455 nan 8.190 nan 0.000 0.447 513 K N -0.701 119.607 120.400 -0.153 0.000 2.393 513 K HA 0.072 4.392 4.320 -0.000 0.000 0.193 513 K C 0.141 176.738 176.600 -0.006 0.000 1.026 513 K CA 0.370 56.632 56.287 -0.041 0.000 1.064 513 K CB 0.310 32.828 32.500 0.030 0.000 0.833 513 K HN 0.359 nan 8.250 nan 0.000 0.521 514 D N 0.623 121.027 120.400 0.006 0.000 2.381 514 D HA 0.052 4.692 4.640 -0.000 0.000 0.245 514 D C 0.084 176.426 176.300 0.071 0.000 1.297 514 D CA -0.326 53.695 54.000 0.035 0.000 0.931 514 D CB 0.825 41.648 40.800 0.038 0.000 1.334 514 D HN -0.172 nan 8.370 nan 0.000 0.535 515 L N 2.522 123.788 121.223 0.072 0.000 2.353 515 L HA -0.051 4.289 4.340 -0.000 0.000 0.220 515 L C 2.073 178.994 176.870 0.084 0.000 1.133 515 L CA 1.800 56.708 54.840 0.114 0.000 0.798 515 L CB -0.391 41.730 42.059 0.103 0.000 0.922 515 L HN 0.473 nan 8.230 nan 0.000 0.445 516 S N -2.134 113.595 115.700 0.048 0.000 2.500 516 S HA -0.178 4.292 4.470 -0.000 0.000 0.239 516 S C 1.724 176.355 174.600 0.052 0.000 0.989 516 S CA 0.520 58.737 58.200 0.029 0.000 0.951 516 S CB -0.447 62.757 63.200 0.008 0.000 0.759 516 S HN 0.499 nan 8.310 nan 0.000 0.523 517 Q N 1.005 120.852 119.800 0.079 0.000 2.437 517 Q HA 0.184 4.524 4.340 -0.000 0.000 0.210 517 Q C 1.947 177.990 176.000 0.072 0.000 0.972 517 Q CA 0.580 56.438 55.803 0.091 0.000 0.903 517 Q CB -0.604 28.216 28.738 0.137 0.000 0.967 517 Q HN 0.625 nan 8.270 nan 0.000 0.486 518 L N 0.736 121.988 121.223 0.048 0.000 2.265 518 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 518 L C 2.365 179.227 176.870 -0.013 0.000 1.117 518 L CA 1.493 56.319 54.840 -0.023 0.000 0.782 518 L CB -0.873 41.162 42.059 -0.040 0.000 0.914 518 L HN 0.292 nan 8.230 nan 0.000 0.441 519 T N -3.112 111.472 114.554 0.049 0.000 2.897 519 T HA -0.217 4.133 4.350 -0.000 0.000 0.271 519 T C 1.712 176.519 174.700 0.179 0.000 1.084 519 T CA 0.962 63.151 62.100 0.148 0.000 1.123 519 T CB -0.231 68.760 68.868 0.205 0.000 0.865 519 T HN 0.311 nan 8.240 nan 0.000 0.496 520 K N 0.853 121.314 120.400 0.103 0.000 2.211 520 K HA 0.089 4.409 4.320 -0.000 0.000 0.204 520 K C 2.120 178.803 176.600 0.138 0.000 1.047 520 K CA 1.003 57.353 56.287 0.105 0.000 0.935 520 K CB -0.506 32.049 32.500 0.092 0.000 0.728 520 K HN 0.383 nan 8.250 nan 0.000 0.452 521 L N 0.136 121.410 121.223 0.085 0.000 2.261 521 L HA -0.223 4.117 4.340 -0.000 0.000 0.216 521 L C 1.860 178.819 176.870 0.148 0.000 1.114 521 L CA 1.197 56.111 54.840 0.123 0.000 0.777 521 L CB -0.615 41.432 42.059 -0.019 0.000 0.910 521 L HN 0.318 nan 8.230 nan 0.000 0.440 522 H N -1.133 117.992 119.070 0.093 0.000 2.422 522 H HA -0.153 4.403 4.556 -0.000 0.000 0.298 522 H C 2.420 177.731 175.328 -0.029 0.000 1.098 522 H CA 1.460 57.533 56.048 0.042 0.000 1.315 522 H CB 0.075 29.840 29.762 0.005 0.000 1.382 522 H HN 0.256 nan 8.280 nan 0.000 0.523 523 S N -0.030 115.648 115.700 -0.036 0.000 2.465 523 S HA -0.126 4.344 4.470 -0.000 0.000 0.241 523 S C 0.729 174.990 174.600 -0.565 0.000 1.000 523 S CA 0.898 58.876 58.200 -0.369 0.000 0.964 523 S CB -0.133 62.671 63.200 -0.660 0.000 0.763 523 S HN 0.345 nan 8.310 nan 0.000 0.512 524 F N 0.451 120.350 119.950 -0.086 0.000 2.639 524 F HA 0.408 4.935 4.527 -0.000 0.000 0.300 524 F C 1.230 177.068 175.800 0.064 0.000 1.109 524 F CA -0.391 57.555 58.000 -0.090 0.000 1.335 524 F CB -0.524 38.230 39.000 -0.410 0.000 1.014 524 F HN 0.054 nan 8.300 nan 0.000 0.537 525 L N -0.052 121.268 121.223 0.162 0.000 2.187 525 L HA -0.128 4.212 4.340 -0.000 0.000 0.213 525 L C 2.283 179.228 176.870 0.125 0.000 1.100 525 L CA 1.500 56.433 54.840 0.154 0.000 0.765 525 L CB -0.489 41.639 42.059 0.115 0.000 0.904 525 L HN 0.390 nan 8.230 nan 0.000 0.437 526 G N -2.327 106.529 108.800 0.094 0.000 3.277 526 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.243 526 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.243 526 G C 0.024 174.984 174.900 0.100 0.000 1.107 526 G CA -0.265 44.880 45.100 0.076 0.000 0.771 526 G HN 0.076 nan 8.290 nan 0.000 0.544 527 D N 1.146 121.645 120.400 0.165 0.000 2.402 527 D HA 0.138 4.778 4.640 -0.000 0.000 0.235 527 D C 0.547 176.973 176.300 0.210 0.000 1.226 527 D CA -0.294 53.832 54.000 0.210 0.000 0.918 527 D CB 0.755 41.761 40.800 0.343 0.000 1.043 527 D HN 0.087 nan 8.370 nan 0.000 0.506 528 D N 2.110 122.588 120.400 0.131 0.000 2.104 528 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 528 D C 2.103 178.457 176.300 0.090 0.000 0.994 528 D CA 0.896 54.951 54.000 0.093 0.000 0.830 528 D CB 0.271 41.106 40.800 0.059 0.000 0.959 528 D HN 0.260 nan 8.370 nan 0.000 0.452 529 V N 0.443 120.421 119.914 0.106 0.000 2.407 529 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 529 V C 1.947 178.111 176.094 0.115 0.000 1.055 529 V CA 1.264 63.619 62.300 0.091 0.000 1.049 529 V CB -0.544 31.334 31.823 0.091 0.000 0.662 529 V HN 0.176 nan 8.190 nan 0.000 0.455 530 F N 0.449 120.411 119.950 0.019 0.000 2.146 530 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 530 F C 2.024 177.815 175.800 -0.015 0.000 1.096 530 F CA 1.507 59.496 58.000 -0.018 0.000 1.275 530 F CB -0.302 38.690 39.000 -0.013 0.000 1.008 530 F HN 0.026 nan 8.300 nan 0.000 0.480 531 L N -0.282 120.909 121.223 -0.053 0.000 2.083 531 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 531 L C 2.605 179.381 176.870 -0.158 0.000 1.083 531 L CA 1.372 56.122 54.840 -0.150 0.000 0.752 531 L CB -0.614 41.444 42.059 -0.003 0.000 0.899 531 L HN 0.059 nan 8.230 nan 0.000 0.433 532 R N 0.004 120.450 120.500 -0.091 0.000 2.092 532 R HA -0.137 4.202 4.340 -0.000 0.000 0.231 532 R C 2.202 178.433 176.300 -0.116 0.000 1.119 532 R CA 1.180 57.232 56.100 -0.079 0.000 0.970 532 R CB -0.079 30.198 30.300 -0.037 0.000 0.864 532 R HN 0.368 nan 8.270 nan 0.000 0.440 533 E N 0.047 120.159 120.200 -0.148 0.000 2.106 533 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 533 E C 1.739 178.198 176.600 -0.234 0.000 0.984 533 E CA 0.833 57.139 56.400 -0.157 0.000 0.806 533 E CB -0.014 29.615 29.700 -0.119 0.000 0.750 533 E HN 0.110 nan 8.360 nan 0.000 0.458 534 L N 0.790 121.782 121.223 -0.386 0.000 2.027 534 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 534 L C 2.199 178.957 176.870 -0.187 0.000 1.074 534 L CA 1.949 56.566 54.840 -0.371 0.000 0.745 534 L CB -0.563 41.178 42.059 -0.530 0.000 0.898 534 L HN 0.028 nan 8.230 nan 0.000 0.433 535 A N -1.009 121.721 122.820 -0.149 0.000 2.019 535 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 535 A C 2.429 179.962 177.584 -0.084 0.000 1.164 535 A CA 1.802 53.786 52.037 -0.088 0.000 0.644 535 A CB -0.577 18.375 19.000 -0.080 0.000 0.805 535 A HN 0.481 nan 8.150 nan 0.000 0.449 536 K N -0.268 120.077 120.400 -0.091 0.000 2.103 536 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 536 K C 1.798 178.361 176.600 -0.062 0.000 1.052 536 K CA 1.311 57.556 56.287 -0.071 0.000 0.945 536 K CB -0.192 32.270 32.500 -0.062 0.000 0.722 536 K HN 0.249 nan 8.250 nan 0.000 0.443 537 V N 1.758 121.630 119.914 -0.071 0.000 2.343 537 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 537 V C 2.343 178.412 176.094 -0.042 0.000 1.051 537 V CA 1.958 64.226 62.300 -0.054 0.000 1.036 537 V CB -0.430 31.354 31.823 -0.065 0.000 0.654 537 V HN 0.331 nan 8.190 nan 0.000 0.451 538 K N -0.134 120.239 120.400 -0.045 0.000 2.057 538 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 538 K C 2.207 178.769 176.600 -0.064 0.000 1.049 538 K CA 1.476 57.742 56.287 -0.034 0.000 0.931 538 K CB -0.433 32.061 32.500 -0.010 0.000 0.714 538 K HN 0.291 nan 8.250 nan 0.000 0.440 539 Q N 0.906 120.662 119.800 -0.073 0.000 2.061 539 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 539 Q C 2.007 177.972 176.000 -0.057 0.000 0.984 539 Q CA 1.886 57.637 55.803 -0.087 0.000 0.846 539 Q CB -0.195 28.499 28.738 -0.074 0.000 0.902 539 Q HN 0.539 nan 8.270 nan 0.000 0.421 540 E N 0.143 120.324 120.200 -0.033 0.000 2.110 540 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 540 E C 1.752 178.362 176.600 0.017 0.000 0.988 540 E CA 0.804 57.199 56.400 -0.007 0.000 0.804 540 E CB -0.035 29.660 29.700 -0.008 0.000 0.745 540 E HN 0.337 nan 8.360 nan 0.000 0.458 541 N N 0.998 119.705 118.700 0.010 0.000 2.166 541 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 541 N C 1.480 177.044 175.510 0.091 0.000 1.019 541 N CA 1.014 54.090 53.050 0.043 0.000 0.856 541 N CB -0.078 38.421 38.487 0.020 0.000 0.993 541 N HN 0.144 nan 8.380 nan 0.000 0.426 542 K N 0.033 120.436 120.400 0.005 0.000 2.097 542 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 542 K C 1.726 178.396 176.600 0.116 0.000 1.050 542 K CA 0.474 56.738 56.287 -0.038 0.000 0.938 542 K CB -0.054 32.182 32.500 -0.441 0.000 0.718 542 K HN -0.019 nan 8.250 nan 0.000 0.442 543 L N 1.677 122.940 121.223 0.067 0.000 2.027 543 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 543 L C 2.266 179.223 176.870 0.146 0.000 1.074 543 L CA 1.763 56.660 54.840 0.095 0.000 0.745 543 L CB -0.637 41.452 42.059 0.050 0.000 0.898 543 L HN -0.001 nan 8.230 nan 0.000 0.433 544 K N -0.939 119.549 120.400 0.147 0.000 2.044 544 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 544 K C 2.120 178.879 176.600 0.264 0.000 1.049 544 K CA 1.851 58.240 56.287 0.170 0.000 0.927 544 K CB -0.614 31.972 32.500 0.143 0.000 0.713 544 K HN 0.159 nan 8.250 nan 0.000 0.443 545 F N 0.655 120.709 119.950 0.174 0.000 2.325 545 F HA 0.013 4.540 4.527 -0.000 0.000 0.299 545 F C 1.926 177.919 175.800 0.321 0.000 1.090 545 F CA 1.036 59.182 58.000 0.245 0.000 1.392 545 F CB -0.241 38.902 39.000 0.238 0.000 1.053 545 F HN -0.001 nan 8.300 nan 0.000 0.521 546 S N -0.134 115.742 115.700 0.294 0.000 2.402 546 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 546 S C 1.865 176.507 174.600 0.070 0.000 1.021 546 S CA 1.177 59.491 58.200 0.190 0.000 0.974 546 S CB -0.268 63.090 63.200 0.264 0.000 0.800 546 S HN 0.527 nan 8.310 nan 0.000 0.484 547 Q N -0.456 119.401 119.800 0.095 0.000 2.123 547 Q HA -0.033 4.307 4.340 -0.000 0.000 0.199 547 Q C 1.837 177.857 176.000 0.032 0.000 0.966 547 Q CA 1.131 56.972 55.803 0.063 0.000 0.845 547 Q CB -0.232 28.559 28.738 0.087 0.000 0.907 547 Q HN 0.598 nan 8.270 nan 0.000 0.439 548 F N 1.216 121.092 119.950 -0.123 0.000 2.102 548 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 548 F C 1.707 177.390 175.800 -0.194 0.000 1.105 548 F CA 1.251 59.147 58.000 -0.174 0.000 1.239 548 F CB -0.084 38.755 39.000 -0.270 0.000 0.991 548 F HN -0.043 nan 8.300 nan 0.000 0.474 549 L N 0.087 121.184 121.223 -0.209 0.000 2.017 549 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 549 L C 2.446 179.306 176.870 -0.017 0.000 1.073 549 L CA 1.795 56.571 54.840 -0.106 0.000 0.745 549 L CB -0.898 41.054 42.059 -0.177 0.000 0.894 549 L HN 0.176 nan 8.230 nan 0.000 0.432 550 E N -0.400 119.772 120.200 -0.047 0.000 2.110 550 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 550 E C 2.127 178.684 176.600 -0.071 0.000 0.988 550 E CA 1.841 58.225 56.400 -0.026 0.000 0.804 550 E CB -0.167 29.528 29.700 -0.009 0.000 0.745 550 E HN 0.588 nan 8.360 nan 0.000 0.458 551 T N -1.067 113.406 114.554 -0.134 0.000 3.043 551 T HA -0.010 4.340 4.350 -0.000 0.000 0.263 551 T C 1.589 176.126 174.700 -0.272 0.000 1.094 551 T CA 0.528 62.528 62.100 -0.166 0.000 1.127 551 T CB 0.192 68.971 68.868 -0.148 0.000 0.905 551 T HN -0.035 nan 8.240 nan 0.000 0.490 552 E N -0.206 119.748 120.200 -0.410 0.000 2.307 552 E HA 0.190 4.540 4.350 -0.000 0.000 0.195 552 E C -0.466 175.681 176.600 -0.754 0.000 0.975 552 E CA 0.424 56.432 56.400 -0.654 0.000 0.878 552 E CB 0.340 29.441 29.700 -0.998 0.000 0.845 552 E HN 0.624 nan 8.360 nan 0.000 0.488 553 Y N -0.266 119.931 120.300 -0.172 0.000 2.602 553 Y HA 0.203 4.753 4.550 -0.000 0.000 0.342 553 Y C 1.218 177.073 175.900 -0.076 0.000 1.029 553 Y CA -1.100 56.942 58.100 -0.097 0.000 1.080 553 Y CB 0.982 39.395 38.460 -0.079 0.000 1.284 553 Y HN -0.321 nan 8.280 nan 0.000 0.485 554 K N 0.631 121.097 120.400 0.110 0.000 1.969 554 K HA -0.051 4.269 4.320 -0.000 0.000 0.216 554 K C -0.153 176.475 176.600 0.046 0.000 1.048 554 K CA 1.480 57.797 56.287 0.051 0.000 0.948 554 K CB -0.779 31.748 32.500 0.045 0.000 0.726 554 K HN 0.464 nan 8.250 nan 0.000 0.442 555 V N 1.912 121.856 119.914 0.051 0.000 3.015 555 V HA -0.222 3.898 4.120 -0.000 0.000 0.261 555 V C 0.579 176.684 176.094 0.018 0.000 1.665 555 V CA 0.940 63.255 62.300 0.024 0.000 1.575 555 V CB -0.428 31.393 31.823 -0.002 0.000 0.888 555 V HN 0.419 nan 8.190 nan 0.000 0.519 556 K N 4.552 124.963 120.400 0.017 0.000 2.240 556 K HA 0.450 4.770 4.320 -0.000 0.000 0.271 556 K C -0.748 175.868 176.600 0.028 0.000 1.018 556 K CA -0.818 55.483 56.287 0.023 0.000 0.874 556 K CB 0.766 33.282 32.500 0.026 0.000 1.098 556 K HN 0.531 nan 8.250 nan 0.000 0.458 557 I N 3.721 124.315 120.570 0.040 0.000 2.342 557 I HA 0.072 4.242 4.170 -0.000 0.000 0.291 557 I C 0.338 176.518 176.117 0.106 0.000 1.010 557 I CA -0.670 60.670 61.300 0.067 0.000 1.308 557 I CB 0.900 38.954 38.000 0.090 0.000 1.400 557 I HN 0.617 nan 8.210 nan 0.000 0.488 558 N N 9.852 128.623 118.700 0.118 0.000 2.402 558 N HA 0.119 4.859 4.740 -0.000 0.000 0.259 558 N C -1.496 174.120 175.510 0.178 0.000 1.167 558 N CA -1.648 51.471 53.050 0.115 0.000 0.949 558 N CB 1.193 39.737 38.487 0.095 0.000 1.212 558 N HN 0.337 nan 8.380 nan 0.000 0.493 559 P HA -0.122 nan 4.420 nan 0.000 0.221 559 P C 0.744 178.042 177.300 -0.004 0.000 1.145 559 P CA 1.033 64.192 63.100 0.098 0.000 0.795 559 P CB 0.268 32.002 31.700 0.058 0.000 0.775 560 S N -1.500 114.211 115.700 0.018 0.000 2.535 560 S HA 0.067 4.537 4.470 -0.000 0.000 0.214 560 S C 1.117 175.725 174.600 0.014 0.000 0.980 560 S CA -0.206 57.986 58.200 -0.012 0.000 0.907 560 S CB -0.933 62.264 63.200 -0.005 0.000 0.790 560 S HN 0.248 nan 8.310 nan 0.000 0.510 561 S N 1.745 117.476 115.700 0.052 0.000 2.589 561 S HA 0.351 4.820 4.470 -0.000 0.000 0.265 561 S C 0.104 174.672 174.600 -0.053 0.000 1.342 561 S CA -0.769 57.441 58.200 0.016 0.000 1.005 561 S CB 0.041 63.292 63.200 0.084 0.000 0.909 561 S HN 0.525 nan 8.310 nan 0.000 0.555 562 M N 2.266 121.664 119.600 -0.337 0.000 2.184 562 M HA 0.285 4.765 4.480 -0.000 0.000 0.351 562 M C -1.603 174.690 176.300 -0.011 0.000 1.395 562 M CA -0.334 54.614 55.300 -0.587 0.000 1.117 562 M CB -0.309 31.578 32.600 -1.189 0.000 1.708 562 M HN 0.643 nan 8.290 nan 0.000 0.468 563 F N 4.050 123.877 119.950 -0.204 0.000 2.423 563 F HA 0.186 4.713 4.527 -0.000 0.000 0.356 563 F C 0.399 176.138 175.800 -0.102 0.000 1.170 563 F CA -0.806 57.141 58.000 -0.088 0.000 1.163 563 F CB -0.314 38.689 39.000 0.004 0.000 1.318 563 F HN 0.471 nan 8.300 nan 0.000 0.569 564 D N 3.911 124.313 120.400 0.004 0.000 2.347 564 D HA 0.356 4.996 4.640 -0.000 0.000 0.235 564 D C -0.886 175.359 176.300 -0.093 0.000 1.149 564 D CA 0.026 53.985 54.000 -0.068 0.000 0.850 564 D CB 0.948 41.697 40.800 -0.085 0.000 1.061 564 D HN 0.144 nan 8.370 nan 0.000 0.487 565 V N 4.287 124.116 119.914 -0.141 0.000 2.604 565 V HA 0.418 4.538 4.120 -0.000 0.000 0.305 565 V C -0.235 175.704 176.094 -0.257 0.000 1.043 565 V CA -0.837 61.361 62.300 -0.171 0.000 0.888 565 V CB 1.856 33.632 31.823 -0.078 0.000 0.995 565 V HN 0.544 nan 8.190 nan 0.000 0.429 566 Q N 3.354 123.035 119.800 -0.198 0.000 2.533 566 Q HA 0.619 4.959 4.340 -0.000 0.000 0.251 566 Q C -1.581 174.276 176.000 -0.238 0.000 0.966 566 Q CA -0.409 55.273 55.803 -0.201 0.000 0.714 566 Q CB 1.922 30.567 28.738 -0.155 0.000 1.284 566 Q HN 0.794 nan 8.270 nan 0.000 0.478 567 V N 1.361 121.121 119.914 -0.257 0.000 2.531 567 V HA 0.891 5.011 4.120 -0.000 0.000 0.301 567 V C -0.891 174.934 176.094 -0.448 0.000 1.034 567 V CA -0.510 61.432 62.300 -0.596 0.000 0.865 567 V CB 1.250 32.438 31.823 -1.058 0.000 0.995 567 V HN 0.825 nan 8.190 nan 0.000 0.424 568 K N 2.473 122.668 120.400 -0.341 0.000 3.138 568 K HA 0.430 4.750 4.320 -0.000 0.000 0.309 568 K C -1.251 175.389 176.600 0.065 0.000 1.090 568 K CA -1.227 55.064 56.287 0.007 0.000 0.816 568 K CB 0.783 33.275 32.500 -0.014 0.000 1.476 568 K HN 0.440 nan 8.250 nan 0.000 0.380 569 R N 0.865 121.461 120.500 0.159 0.000 2.679 569 R HA 0.177 4.517 4.340 -0.000 0.000 0.268 569 R C 0.318 176.665 176.300 0.079 0.000 1.044 569 R CA -0.356 55.837 56.100 0.156 0.000 1.105 569 R CB -0.178 30.257 30.300 0.226 0.000 0.989 569 R HN 0.472 nan 8.270 nan 0.000 0.447 570 I N 4.430 124.998 120.570 -0.005 0.000 2.452 570 I HA 0.115 4.285 4.170 -0.000 0.000 0.287 570 I C 0.750 176.721 176.117 -0.243 0.000 1.079 570 I CA 0.562 61.811 61.300 -0.085 0.000 1.387 570 I CB -0.224 37.734 38.000 -0.069 0.000 1.404 570 I HN 0.270 nan 8.210 nan 0.000 0.522 571 H N 4.480 123.449 119.070 -0.169 0.000 2.996 571 H HA 0.236 4.792 4.556 -0.000 0.000 0.368 571 H C 0.380 175.573 175.328 -0.225 0.000 1.185 571 H CA -0.463 55.497 56.048 -0.146 0.000 1.160 571 H CB 2.132 31.640 29.762 -0.424 0.000 1.820 571 H HN 0.521 nan 8.280 nan 0.000 0.547 572 E N 1.249 121.492 120.200 0.071 0.000 2.106 572 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 572 E C 1.400 177.794 176.600 -0.342 0.000 0.984 572 E CA 1.284 57.693 56.400 0.015 0.000 0.806 572 E CB 0.069 29.987 29.700 0.363 0.000 0.750 572 E HN 0.550 nan 8.360 nan 0.000 0.458 573 Y N 0.870 120.636 120.300 -0.891 0.000 2.373 573 Y HA 0.043 4.593 4.550 -0.000 0.000 0.293 573 Y C 1.505 177.144 175.900 -0.434 0.000 1.129 573 Y CA 0.760 58.143 58.100 -1.194 0.000 1.226 573 Y CB -0.060 37.665 38.460 -1.225 0.000 1.000 573 Y HN -0.220 nan 8.280 nan 0.000 0.549 574 K N 0.654 120.558 120.400 -0.826 0.000 2.365 574 K HA 0.068 4.388 4.320 -0.000 0.000 0.197 574 K C 0.112 176.550 176.600 -0.270 0.000 1.042 574 K CA 0.553 56.497 56.287 -0.572 0.000 0.987 574 K CB -0.022 32.127 32.500 -0.585 0.000 0.779 574 K HN 0.237 nan 8.250 nan 0.000 0.484 575 R N 1.150 121.519 120.500 -0.219 0.000 3.333 575 R HA -0.162 4.178 4.340 -0.000 0.000 0.256 575 R C 0.703 176.932 176.300 -0.118 0.000 1.010 575 R CA 0.586 56.610 56.100 -0.126 0.000 0.680 575 R CB -1.760 28.483 30.300 -0.095 0.000 1.102 575 R HN 0.337 nan 8.270 nan 0.000 0.440 576 Q N 0.208 119.941 119.800 -0.111 0.000 2.439 576 Q HA -0.124 4.216 4.340 -0.000 0.000 0.211 576 Q C 1.659 177.623 176.000 -0.061 0.000 0.978 576 Q CA 1.046 56.798 55.803 -0.085 0.000 0.897 576 Q CB 0.006 28.705 28.738 -0.065 0.000 0.956 576 Q HN 0.692 nan 8.270 nan 0.000 0.483 577 L N 0.200 121.389 121.223 -0.056 0.000 2.056 577 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 577 L C 2.211 179.087 176.870 0.010 0.000 1.078 577 L CA 0.797 55.619 54.840 -0.031 0.000 0.749 577 L CB -0.217 41.836 42.059 -0.009 0.000 0.901 577 L HN 0.249 nan 8.230 nan 0.000 0.433 578 L N 0.486 121.705 121.223 -0.006 0.000 2.012 578 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 578 L C 2.283 179.189 176.870 0.060 0.000 1.073 578 L CA 1.922 56.766 54.840 0.007 0.000 0.748 578 L CB -1.130 40.824 42.059 -0.175 0.000 0.891 578 L HN 0.320 nan 8.230 nan 0.000 0.431 579 N N -0.603 118.090 118.700 -0.011 0.000 2.069 579 N HA -0.265 4.475 4.740 -0.000 0.000 0.191 579 N C 2.115 177.716 175.510 0.153 0.000 1.031 579 N CA 1.777 54.913 53.050 0.143 0.000 0.852 579 N CB -0.836 37.674 38.487 0.037 0.000 1.018 579 N HN 0.607 nan 8.380 nan 0.000 0.423 580 C N 0.666 119.991 119.300 0.042 0.000 2.411 580 C HA 0.022 4.482 4.460 -0.000 0.000 0.279 580 C C 2.790 177.778 174.990 -0.003 0.000 1.288 580 C CA 0.305 59.305 59.018 -0.031 0.000 1.764 580 C CB -1.353 26.320 27.740 -0.113 0.000 1.974 580 C HN 0.473 nan 8.230 nan 0.000 0.498 581 L N -0.490 120.793 121.223 0.101 0.000 2.093 581 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 581 L C 2.810 179.823 176.870 0.239 0.000 1.085 581 L CA 1.890 56.834 54.840 0.174 0.000 0.755 581 L CB -1.205 41.036 42.059 0.303 0.000 0.904 581 L HN 0.554 nan 8.230 nan 0.000 0.435 582 H N 0.141 119.326 119.070 0.191 0.000 2.387 582 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 582 H C 2.209 177.553 175.328 0.027 0.000 1.090 582 H CA 1.742 57.832 56.048 0.070 0.000 1.332 582 H CB 0.379 30.139 29.762 -0.004 0.000 1.386 582 H HN 0.097 nan 8.280 nan 0.000 0.516 583 V N 1.509 121.372 119.914 -0.084 0.000 2.295 583 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 583 V C 2.843 178.876 176.094 -0.101 0.000 1.049 583 V CA 1.835 64.055 62.300 -0.134 0.000 1.024 583 V CB -0.491 31.288 31.823 -0.074 0.000 0.648 583 V HN 0.377 nan 8.190 nan 0.000 0.447 584 I N -0.179 120.347 120.570 -0.073 0.000 2.286 584 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 584 I C 2.503 178.663 176.117 0.072 0.000 1.115 584 I CA 1.729 63.039 61.300 0.017 0.000 1.392 584 I CB -0.715 37.266 38.000 -0.031 0.000 1.065 584 I HN 0.328 nan 8.210 nan 0.000 0.418 585 T N 0.930 115.484 114.554 -0.001 0.000 2.684 585 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 585 T C 1.931 176.570 174.700 -0.101 0.000 1.036 585 T CA 1.492 63.581 62.100 -0.017 0.000 1.148 585 T CB -0.201 68.673 68.868 0.010 0.000 0.863 585 T HN 0.276 nan 8.240 nan 0.000 0.436 586 M N -0.245 119.232 119.600 -0.205 0.000 2.159 586 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 586 M C 2.211 178.400 176.300 -0.185 0.000 1.063 586 M CA 1.534 56.708 55.300 -0.210 0.000 1.110 586 M CB -0.449 32.037 32.600 -0.190 0.000 1.374 586 M HN 0.302 nan 8.290 nan 0.000 0.411 587 Y N 1.720 121.917 120.300 -0.172 0.000 2.200 587 Y HA -0.206 4.344 4.550 -0.000 0.000 0.290 587 Y C 2.075 177.902 175.900 -0.122 0.000 1.137 587 Y CA 1.657 59.687 58.100 -0.118 0.000 1.163 587 Y CB -0.392 38.074 38.460 0.009 0.000 0.988 587 Y HN 0.240 nan 8.280 nan 0.000 0.518 588 N N 0.478 119.083 118.700 -0.158 0.000 2.188 588 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 588 N C 1.894 177.245 175.510 -0.265 0.000 1.018 588 N CA 1.419 54.319 53.050 -0.250 0.000 0.858 588 N CB -0.373 38.047 38.487 -0.111 0.000 0.989 588 N HN 0.431 nan 8.380 nan 0.000 0.426 589 R N 0.492 120.854 120.500 -0.230 0.000 2.096 589 R HA 0.040 4.380 4.340 -0.000 0.000 0.235 589 R C 2.198 178.325 176.300 -0.288 0.000 1.127 589 R CA 0.843 56.809 56.100 -0.222 0.000 0.968 589 R CB -0.226 29.953 30.300 -0.203 0.000 0.861 589 R HN 0.253 nan 8.270 nan 0.000 0.440 590 I N 0.735 121.066 120.570 -0.399 0.000 2.252 590 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 590 I C 2.003 177.918 176.117 -0.336 0.000 1.102 590 I CA 1.033 62.087 61.300 -0.409 0.000 1.385 590 I CB -0.168 37.550 38.000 -0.470 0.000 1.064 590 I HN 0.009 nan 8.210 nan 0.000 0.414 591 K N 0.803 120.946 120.400 -0.429 0.000 2.147 591 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 591 K C 2.030 178.496 176.600 -0.223 0.000 1.049 591 K CA 1.069 57.139 56.287 -0.362 0.000 0.936 591 K CB -0.314 31.896 32.500 -0.483 0.000 0.722 591 K HN 0.189 nan 8.250 nan 0.000 0.446 592 K N 1.086 121.363 120.400 -0.206 0.000 2.029 592 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 592 K C 0.175 176.705 176.600 -0.117 0.000 1.042 592 K CA 1.087 57.290 56.287 -0.141 0.000 0.949 592 K CB 0.037 32.461 32.500 -0.127 0.000 0.740 592 K HN -0.078 nan 8.250 nan 0.000 0.442 593 D N 0.987 121.311 120.400 -0.127 0.000 2.590 593 D HA 0.217 4.856 4.640 -0.000 0.000 0.280 593 D C -2.081 174.155 176.300 -0.107 0.000 1.197 593 D CA -2.151 51.791 54.000 -0.097 0.000 0.967 593 D CB 1.057 41.810 40.800 -0.079 0.000 0.987 593 D HN -0.058 nan 8.370 nan 0.000 0.508 594 P HA -0.135 nan 4.420 nan 0.000 0.218 594 P C 0.666 177.931 177.300 -0.059 0.000 1.146 594 P CA 1.214 64.257 63.100 -0.096 0.000 0.820 594 P CB 0.349 32.003 31.700 -0.076 0.000 0.778 595 K N -1.290 119.085 120.400 -0.041 0.000 2.358 595 K HA 0.072 4.392 4.320 -0.000 0.000 0.197 595 K C 0.737 177.337 176.600 -0.000 0.000 1.025 595 K CA -0.222 56.056 56.287 -0.015 0.000 1.104 595 K CB 0.231 32.724 32.500 -0.013 0.000 0.855 595 K HN 0.084 nan 8.250 nan 0.000 0.531 596 K N 2.112 122.506 120.400 -0.009 0.000 2.401 596 K HA 0.058 4.378 4.320 -0.000 0.000 0.278 596 K C -0.265 176.373 176.600 0.064 0.000 1.018 596 K CA -0.175 56.121 56.287 0.016 0.000 0.981 596 K CB 0.440 32.941 32.500 0.001 0.000 0.933 596 K HN 0.047 nan 8.250 nan 0.000 0.477 597 L N 5.578 126.841 121.223 0.067 0.000 2.654 597 L HA -0.007 4.333 4.340 -0.000 0.000 0.271 597 L C -0.123 176.843 176.870 0.161 0.000 1.169 597 L CA 0.281 55.173 54.840 0.087 0.000 0.947 597 L CB -0.477 41.612 42.059 0.050 0.000 1.232 597 L HN 0.529 nan 8.230 nan 0.000 0.486 598 F N 4.073 124.013 119.950 -0.017 0.000 2.518 598 F HA 0.420 4.947 4.527 -0.000 0.000 0.323 598 F C -0.231 175.558 175.800 -0.017 0.000 1.129 598 F CA -0.798 57.188 58.000 -0.023 0.000 0.920 598 F CB 1.474 40.456 39.000 -0.032 0.000 1.160 598 F HN -0.035 nan 8.300 nan 0.000 0.440 599 V N 8.692 128.247 119.914 -0.599 0.000 2.446 599 V HA 0.207 4.327 4.120 -0.000 0.000 0.276 599 V C -1.764 173.799 176.094 -0.885 0.000 1.030 599 V CA -1.265 60.725 62.300 -0.516 0.000 1.033 599 V CB 0.361 31.962 31.823 -0.370 0.000 0.993 599 V HN 0.578 nan 8.190 nan 0.000 0.477 600 P HA 0.242 nan 4.420 nan 0.000 0.268 600 P C -0.617 176.526 177.300 -0.262 0.000 1.205 600 P CA -0.130 62.829 63.100 -0.236 0.000 0.771 600 P CB 0.895 32.579 31.700 -0.026 0.000 0.858 601 R N 0.880 121.306 120.500 -0.125 0.000 2.795 601 R HA 0.608 4.948 4.340 -0.000 0.000 0.275 601 R C -0.551 175.740 176.300 -0.015 0.000 0.981 601 R CA -0.698 55.339 56.100 -0.105 0.000 0.917 601 R CB 2.017 32.244 30.300 -0.121 0.000 1.202 601 R HN 0.332 nan 8.270 nan 0.000 0.469 602 T N 1.611 116.141 114.554 -0.040 0.000 2.833 602 T HA 0.256 4.606 4.350 -0.000 0.000 0.297 602 T C -0.581 174.014 174.700 -0.175 0.000 1.015 602 T CA -0.490 61.523 62.100 -0.145 0.000 0.963 602 T CB 1.220 69.861 68.868 -0.377 0.000 0.955 602 T HN 0.131 nan 8.240 nan 0.000 0.449 603 V N 5.867 125.707 119.914 -0.124 0.000 2.364 603 V HA 0.457 4.577 4.120 -0.000 0.000 0.272 603 V C 0.002 176.013 176.094 -0.139 0.000 1.036 603 V CA -0.581 61.656 62.300 -0.105 0.000 0.880 603 V CB 0.673 32.467 31.823 -0.049 0.000 0.991 603 V HN 0.773 nan 8.190 nan 0.000 0.460 604 I N 6.480 126.960 120.570 -0.150 0.000 2.378 604 I HA 0.540 4.710 4.170 -0.000 0.000 0.291 604 I C -0.488 175.527 176.117 -0.169 0.000 0.992 604 I CA -0.242 60.960 61.300 -0.163 0.000 1.154 604 I CB 1.673 39.591 38.000 -0.136 0.000 1.315 604 I HN 0.417 nan 8.210 nan 0.000 0.448 605 I N 5.205 125.650 120.570 -0.208 0.000 2.478 605 I HA 0.675 4.845 4.170 -0.000 0.000 0.287 605 I C 0.015 175.817 176.117 -0.524 0.000 1.042 605 I CA -0.344 60.809 61.300 -0.246 0.000 1.067 605 I CB 2.071 40.009 38.000 -0.103 0.000 1.233 605 I HN 0.681 nan 8.210 nan 0.000 0.431 606 G N 3.148 111.604 108.800 -0.573 0.000 2.690 606 G HA2 0.868 4.828 3.960 -0.000 0.000 0.291 606 G HA3 0.868 4.828 3.960 -0.000 0.000 0.291 606 G C -1.009 173.598 174.900 -0.488 0.000 1.403 606 G CA -0.781 43.822 45.100 -0.828 0.000 0.864 606 G HN 0.963 nan 8.290 nan 0.000 0.480 607 G N -0.553 108.103 108.800 -0.240 0.000 2.352 607 G HA2 0.410 4.370 3.960 -0.000 0.000 0.305 607 G HA3 0.410 4.370 3.960 -0.000 0.000 0.305 607 G C -1.309 173.731 174.900 0.233 0.000 1.537 607 G CA -1.026 44.115 45.100 0.070 0.000 0.959 607 G HN 0.598 nan 8.290 nan 0.000 0.668 608 K N -0.098 120.435 120.400 0.221 0.000 2.118 608 K HA 0.743 5.063 4.320 -0.000 0.000 0.267 608 K C 0.242 176.975 176.600 0.222 0.000 0.991 608 K CA -0.190 56.247 56.287 0.251 0.000 0.916 608 K CB 2.029 34.568 32.500 0.065 0.000 1.041 608 K HN 0.859 nan 8.250 nan 0.000 0.455 609 A N 1.424 124.412 122.820 0.279 0.000 2.324 609 A HA 0.645 4.965 4.320 -0.000 0.000 0.330 609 A C -0.443 177.290 177.584 0.249 0.000 1.165 609 A CA -0.744 51.379 52.037 0.142 0.000 0.813 609 A CB 1.058 20.077 19.000 0.031 0.000 1.197 609 A HN 0.779 nan 8.150 nan 0.000 0.484 610 A N 3.373 126.315 122.820 0.203 0.000 2.498 610 A HA 0.472 4.792 4.320 -0.000 0.000 0.239 610 A C -1.393 176.262 177.584 0.119 0.000 1.068 610 A CA -0.771 51.394 52.037 0.213 0.000 0.766 610 A CB -0.391 18.701 19.000 0.153 0.000 1.003 610 A HN 0.604 nan 8.150 nan 0.000 0.497 611 P HA -0.163 nan 4.420 nan 0.000 0.216 611 P C 1.285 178.570 177.300 -0.025 0.000 1.154 611 P CA 2.112 65.153 63.100 -0.098 0.000 0.865 611 P CB 0.177 31.776 31.700 -0.168 0.000 0.789 612 G N -3.150 105.658 108.800 0.013 0.000 3.284 612 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.236 612 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.236 612 G C -0.331 174.609 174.900 0.065 0.000 1.158 612 G CA -0.005 45.108 45.100 0.022 0.000 0.774 612 G HN 0.161 nan 8.290 nan 0.000 0.545 613 Y N 1.702 121.948 120.300 -0.090 0.000 2.650 613 Y HA 0.298 4.848 4.550 -0.000 0.000 0.343 613 Y C 1.269 177.161 175.900 -0.014 0.000 1.078 613 Y CA -2.032 56.003 58.100 -0.108 0.000 1.356 613 Y CB -0.124 38.239 38.460 -0.161 0.000 1.204 613 Y HN 0.370 nan 8.280 nan 0.000 0.508 614 H N 3.854 123.037 119.070 0.188 0.000 2.290 614 H HA -0.189 4.366 4.556 -0.000 0.000 0.298 614 H C 1.906 177.247 175.328 0.022 0.000 1.087 614 H CA 2.739 58.837 56.048 0.083 0.000 1.291 614 H CB 0.386 30.196 29.762 0.080 0.000 1.369 614 H HN 0.548 nan 8.280 nan 0.000 0.492 615 M N 0.209 119.808 119.600 -0.001 0.000 2.159 615 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 615 M C 2.526 178.584 176.300 -0.404 0.000 1.063 615 M CA 1.558 56.763 55.300 -0.158 0.000 1.110 615 M CB -1.298 31.331 32.600 0.048 0.000 1.374 615 M HN 0.504 nan 8.290 nan 0.000 0.411 616 A N -0.168 122.147 122.820 -0.842 0.000 1.908 616 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 616 A C 2.247 179.631 177.584 -0.333 0.000 1.181 616 A CA 1.835 53.430 52.037 -0.738 0.000 0.627 616 A CB -0.551 17.820 19.000 -1.049 0.000 0.818 616 A HN 0.512 nan 8.150 nan 0.000 0.445 617 K N -1.191 119.066 120.400 -0.238 0.000 2.148 617 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 617 K C 2.016 178.593 176.600 -0.039 0.000 1.050 617 K CA 1.287 57.526 56.287 -0.079 0.000 0.942 617 K CB -0.215 32.289 32.500 0.005 0.000 0.724 617 K HN 0.351 nan 8.250 nan 0.000 0.446 618 M N 0.524 120.049 119.600 -0.125 0.000 2.132 618 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 618 M C 2.164 178.427 176.300 -0.061 0.000 1.065 618 M CA 1.467 56.745 55.300 -0.036 0.000 1.122 618 M CB -0.648 31.897 32.600 -0.092 0.000 1.365 618 M HN 0.126 nan 8.290 nan 0.000 0.411 619 I N -0.162 120.328 120.570 -0.133 0.000 2.286 619 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 619 I C 2.334 178.335 176.117 -0.192 0.000 1.115 619 I CA 1.036 62.244 61.300 -0.153 0.000 1.392 619 I CB -0.305 37.607 38.000 -0.147 0.000 1.065 619 I HN 0.182 nan 8.210 nan 0.000 0.418 620 I N 0.704 121.143 120.570 -0.219 0.000 2.179 620 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 620 I C 2.616 178.463 176.117 -0.450 0.000 1.088 620 I CA 1.317 62.382 61.300 -0.392 0.000 1.357 620 I CB -0.313 37.415 38.000 -0.453 0.000 1.051 620 I HN 0.154 nan 8.210 nan 0.000 0.409 621 K N 1.457 121.624 120.400 -0.388 0.000 2.103 621 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 621 K C 2.014 178.454 176.600 -0.267 0.000 1.048 621 K CA 1.456 57.432 56.287 -0.519 0.000 0.930 621 K CB -0.526 31.390 32.500 -0.974 0.000 0.716 621 K HN 0.249 nan 8.250 nan 0.000 0.444 622 L N 0.297 121.374 121.223 -0.245 0.000 1.994 622 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 622 L C 2.190 178.800 176.870 -0.434 0.000 1.071 622 L CA 1.795 56.288 54.840 -0.578 0.000 0.745 622 L CB -0.326 41.342 42.059 -0.652 0.000 0.892 622 L HN 0.262 nan 8.230 nan 0.000 0.431 623 I N -0.048 120.332 120.570 -0.317 0.000 2.163 623 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 623 I C 2.633 178.632 176.117 -0.196 0.000 1.085 623 I CA 1.910 63.076 61.300 -0.222 0.000 1.347 623 I CB -0.661 37.300 38.000 -0.066 0.000 1.044 623 I HN 0.445 nan 8.210 nan 0.000 0.408 624 T N -2.222 112.192 114.554 -0.233 0.000 2.788 624 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 624 T C 1.959 176.577 174.700 -0.137 0.000 1.044 624 T CA 1.615 63.611 62.100 -0.174 0.000 1.139 624 T CB -0.485 68.240 68.868 -0.239 0.000 0.867 624 T HN 0.219 nan 8.240 nan 0.000 0.454 625 S N 1.048 116.658 115.700 -0.150 0.000 2.368 625 S HA -0.021 4.449 4.470 -0.000 0.000 0.224 625 S C 2.244 176.813 174.600 -0.052 0.000 1.029 625 S CA 1.061 59.232 58.200 -0.048 0.000 0.988 625 S CB -0.610 62.639 63.200 0.082 0.000 0.838 625 S HN 0.394 nan 8.310 nan 0.000 0.462 626 V N 2.173 121.934 119.914 -0.255 0.000 2.295 626 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 626 V C 2.690 178.676 176.094 -0.181 0.000 1.049 626 V CA 1.745 63.801 62.300 -0.405 0.000 1.024 626 V CB -1.232 30.220 31.823 -0.620 0.000 0.648 626 V HN 0.543 nan 8.190 nan 0.000 0.447 627 A N -0.220 122.514 122.820 -0.143 0.000 1.940 627 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 627 A C 1.952 179.504 177.584 -0.053 0.000 1.176 627 A CA 2.168 54.152 52.037 -0.088 0.000 0.631 627 A CB -0.655 18.307 19.000 -0.064 0.000 0.814 627 A HN 0.549 nan 8.150 nan 0.000 0.446 628 D N -0.619 119.758 120.400 -0.038 0.000 2.144 628 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 628 D C 2.012 178.302 176.300 -0.017 0.000 0.984 628 D CA 1.203 55.192 54.000 -0.018 0.000 0.834 628 D CB -0.206 40.585 40.800 -0.014 0.000 0.955 628 D HN 0.234 nan 8.370 nan 0.000 0.465 629 V N 0.125 120.033 119.914 -0.011 0.000 2.255 629 V HA -0.170 3.950 4.120 -0.000 0.000 0.243 629 V C 2.593 178.639 176.094 -0.081 0.000 1.038 629 V CA 0.889 63.163 62.300 -0.043 0.000 1.008 629 V CB -0.418 31.413 31.823 0.014 0.000 0.645 629 V HN 0.039 nan 8.190 nan 0.000 0.449 630 V N 1.049 120.876 119.914 -0.144 0.000 2.252 630 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 630 V C 2.256 178.369 176.094 0.033 0.000 1.056 630 V CA 2.373 64.624 62.300 -0.082 0.000 1.022 630 V CB -0.966 30.812 31.823 -0.075 0.000 0.641 630 V HN 0.585 nan 8.190 nan 0.000 0.445 631 N N 0.662 119.365 118.700 0.004 0.000 2.443 631 N HA -0.092 4.648 4.740 -0.000 0.000 0.184 631 N C 1.188 176.715 175.510 0.028 0.000 1.037 631 N CA 0.967 54.027 53.050 0.017 0.000 0.896 631 N CB -0.362 38.125 38.487 -0.001 0.000 0.959 631 N HN 0.562 nan 8.380 nan 0.000 0.442 632 N N 0.320 119.036 118.700 0.027 0.000 2.204 632 N HA -0.021 4.719 4.740 -0.000 0.000 0.219 632 N C -0.694 174.844 175.510 0.047 0.000 1.151 632 N CA -0.051 53.016 53.050 0.028 0.000 0.867 632 N CB 0.868 39.361 38.487 0.010 0.000 1.043 632 N HN 0.137 nan 8.380 nan 0.000 0.516 633 D N 1.543 121.997 120.400 0.089 0.000 2.317 633 D HA 0.203 4.843 4.640 -0.000 0.000 0.234 633 D C -1.663 174.692 176.300 0.091 0.000 1.112 633 D CA -1.911 52.165 54.000 0.126 0.000 0.840 633 D CB 2.219 43.192 40.800 0.288 0.000 1.078 633 D HN -0.072 nan 8.370 nan 0.000 0.486 634 P HA -0.143 nan 4.420 nan 0.000 0.217 634 P C 1.616 178.932 177.300 0.028 0.000 1.148 634 P CA 1.038 64.159 63.100 0.035 0.000 0.828 634 P CB 0.182 31.896 31.700 0.023 0.000 0.783 635 M N -0.559 119.055 119.600 0.024 0.000 2.175 635 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 635 M C 1.840 178.131 176.300 -0.015 0.000 1.063 635 M CA 1.643 56.938 55.300 -0.009 0.000 1.119 635 M CB -0.233 32.342 32.600 -0.043 0.000 1.377 635 M HN -0.114 nan 8.290 nan 0.000 0.415 636 V N -1.800 118.124 119.914 0.017 0.000 2.446 636 V HA 0.244 4.364 4.120 -0.000 0.000 0.244 636 V C 1.511 177.631 176.094 0.043 0.000 1.039 636 V CA 1.149 63.459 62.300 0.017 0.000 1.045 636 V CB -1.505 30.366 31.823 0.081 0.000 0.681 636 V HN 0.639 nan 8.190 nan 0.000 0.459 637 G N 1.381 110.213 108.800 0.054 0.000 2.627 637 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.312 637 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.312 637 G C 1.177 176.113 174.900 0.060 0.000 1.299 637 G CA 2.220 47.350 45.100 0.050 0.000 0.989 637 G HN 1.839 nan 8.290 nan 0.000 0.547 638 S N 0.315 116.050 115.700 0.058 0.000 2.595 638 S HA 0.047 4.516 4.470 -0.000 0.000 0.235 638 S C 1.795 176.452 174.600 0.095 0.000 0.974 638 S CA 1.680 59.920 58.200 0.067 0.000 0.942 638 S CB -0.076 63.158 63.200 0.056 0.000 0.766 638 S HN 0.754 nan 8.310 nan 0.000 0.536 639 K N -0.131 120.342 120.400 0.121 0.000 2.103 639 K HA 0.203 4.523 4.320 -0.000 0.000 0.204 639 K C 0.077 176.851 176.600 0.291 0.000 1.052 639 K CA 0.643 57.064 56.287 0.224 0.000 0.945 639 K CB -0.094 32.525 32.500 0.198 0.000 0.722 639 K HN 0.392 nan 8.250 nan 0.000 0.443 640 L N 0.746 122.081 121.223 0.187 0.000 2.516 640 L HA 0.339 4.679 4.340 -0.000 0.000 0.267 640 L C -1.967 174.952 176.870 0.082 0.000 0.957 640 L CA -0.515 54.426 54.840 0.167 0.000 0.860 640 L CB 1.783 43.953 42.059 0.185 0.000 1.265 640 L HN -0.245 nan 8.230 nan 0.000 0.403 641 K N 4.008 124.429 120.400 0.035 0.000 2.316 641 K HA 0.793 5.113 4.320 -0.000 0.000 0.251 641 K C -1.436 175.132 176.600 -0.052 0.000 0.934 641 K CA -0.644 55.637 56.287 -0.011 0.000 0.802 641 K CB 2.675 35.157 32.500 -0.030 0.000 1.171 641 K HN 0.396 nan 8.250 nan 0.000 0.426 642 V N 3.816 123.690 119.914 -0.066 0.000 2.540 642 V HA 0.524 4.644 4.120 -0.000 0.000 0.302 642 V C -0.411 175.609 176.094 -0.123 0.000 1.035 642 V CA -0.902 61.345 62.300 -0.089 0.000 0.873 642 V CB 1.997 33.776 31.823 -0.074 0.000 0.992 642 V HN 0.543 nan 8.190 nan 0.000 0.428 643 I N 4.246 124.717 120.570 -0.165 0.000 2.499 643 I HA 0.377 4.547 4.170 -0.000 0.000 0.288 643 I C -0.952 175.057 176.117 -0.181 0.000 1.048 643 I CA -0.424 60.724 61.300 -0.253 0.000 1.062 643 I CB 1.949 39.702 38.000 -0.411 0.000 1.238 643 I HN 0.647 nan 8.210 nan 0.000 0.426 644 F N 7.062 126.883 119.950 -0.215 0.000 2.350 644 F HA 0.366 4.893 4.527 -0.000 0.000 0.365 644 F C -0.069 175.688 175.800 -0.072 0.000 1.122 644 F CA -0.435 57.498 58.000 -0.111 0.000 1.139 644 F CB 0.576 39.541 39.000 -0.057 0.000 1.220 644 F HN 0.311 nan 8.300 nan 0.000 0.499 645 L N 6.853 127.776 121.223 -0.501 0.000 2.500 645 L HA 0.092 4.431 4.340 -0.000 0.000 0.272 645 L C 0.090 176.922 176.870 -0.064 0.000 1.149 645 L CA 0.251 54.993 54.840 -0.164 0.000 0.897 645 L CB 0.198 42.204 42.059 -0.088 0.000 1.178 645 L HN 0.644 nan 8.230 nan 0.000 0.473 646 E N 4.035 124.424 120.200 0.315 0.000 2.343 646 E HA 0.047 4.397 4.350 -0.000 0.000 0.269 646 E C 0.347 177.125 176.600 0.297 0.000 1.047 646 E CA -0.530 56.079 56.400 0.348 0.000 0.874 646 E CB 0.509 30.447 29.700 0.396 0.000 1.033 646 E HN 0.495 nan 8.360 nan 0.000 0.409 647 N N 1.419 120.285 118.700 0.277 0.000 2.738 647 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 647 N C -1.358 174.267 175.510 0.191 0.000 1.047 647 N CA 0.359 53.537 53.050 0.213 0.000 0.707 647 N CB -1.514 37.088 38.487 0.190 0.000 0.937 647 N HN 0.503 nan 8.380 nan 0.000 0.545 648 Y N 1.536 121.875 120.300 0.065 0.000 2.632 648 Y HA 0.189 4.739 4.550 -0.000 0.000 0.329 648 Y C 1.117 177.041 175.900 0.040 0.000 1.174 648 Y CA 0.569 58.689 58.100 0.033 0.000 1.469 648 Y CB 0.290 38.745 38.460 -0.009 0.000 1.242 648 Y HN 0.374 nan 8.280 nan 0.000 0.540 649 R N 2.426 122.607 120.500 -0.532 0.000 2.762 649 R HA 0.457 4.797 4.340 -0.000 0.000 0.271 649 R C -0.406 175.548 176.300 -0.576 0.000 1.038 649 R CA -0.636 55.193 56.100 -0.450 0.000 0.906 649 R CB 0.335 30.539 30.300 -0.159 0.000 1.259 649 R HN 0.344 nan 8.270 nan 0.000 0.457 650 V N 1.047 120.632 119.914 -0.548 0.000 2.252 650 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 650 V C 2.558 178.503 176.094 -0.249 0.000 1.056 650 V CA 2.918 64.980 62.300 -0.397 0.000 1.022 650 V CB -0.827 30.732 31.823 -0.440 0.000 0.641 650 V HN 0.940 nan 8.190 nan 0.000 0.445 651 S N -0.624 114.945 115.700 -0.218 0.000 2.419 651 S HA -0.123 4.346 4.470 -0.000 0.000 0.233 651 S C 1.989 176.505 174.600 -0.139 0.000 1.016 651 S CA 1.488 59.588 58.200 -0.167 0.000 0.974 651 S CB -0.475 62.658 63.200 -0.111 0.000 0.786 651 S HN 0.519 nan 8.310 nan 0.000 0.492 652 L N 0.580 121.724 121.223 -0.131 0.000 2.240 652 L HA 0.152 4.492 4.340 -0.000 0.000 0.211 652 L C 2.889 179.735 176.870 -0.039 0.000 1.106 652 L CA 0.948 55.743 54.840 -0.075 0.000 0.793 652 L CB -0.705 41.374 42.059 0.034 0.000 0.927 652 L HN 0.493 nan 8.230 nan 0.000 0.446 653 A N 0.000 122.776 122.820 -0.075 0.000 1.933 653 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 653 A C 1.934 179.562 177.584 0.072 0.000 1.175 653 A CA 1.563 53.654 52.037 0.090 0.000 0.628 653 A CB -0.392 18.652 19.000 0.072 0.000 0.814 653 A HN 0.516 nan 8.150 nan 0.000 0.444 654 E N -0.255 119.947 120.200 0.005 0.000 2.265 654 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 654 E C 1.849 178.382 176.600 -0.112 0.000 0.996 654 E CA 1.185 57.533 56.400 -0.087 0.000 0.832 654 E CB -0.054 29.501 29.700 -0.242 0.000 0.756 654 E HN 0.626 nan 8.360 nan 0.000 0.491 655 K N 0.155 120.467 120.400 -0.146 0.000 2.121 655 K HA 0.017 4.337 4.320 -0.000 0.000 0.203 655 K C 2.222 178.567 176.600 -0.425 0.000 1.041 655 K CA 0.570 56.746 56.287 -0.184 0.000 0.969 655 K CB -0.099 32.303 32.500 -0.164 0.000 0.799 655 K HN -0.033 nan 8.250 nan 0.000 0.456 656 V N 2.010 121.562 119.914 -0.603 0.000 2.453 656 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 656 V C 1.917 177.780 176.094 -0.386 0.000 1.048 656 V CA 1.242 62.981 62.300 -0.934 0.000 1.049 656 V CB -0.215 31.200 31.823 -0.680 0.000 0.672 656 V HN 0.252 nan 8.190 nan 0.000 0.457 657 I N 0.664 121.080 120.570 -0.257 0.000 2.127 657 I HA -0.157 4.013 4.170 -0.000 0.000 0.241 657 I C -0.178 175.883 176.117 -0.093 0.000 1.075 657 I CA 1.946 63.075 61.300 -0.286 0.000 1.334 657 I CB -1.524 36.186 38.000 -0.483 0.000 1.040 657 I HN 0.368 nan 8.210 nan 0.000 0.405 658 P HA -0.119 nan 4.420 nan 0.000 0.222 658 P C 0.812 178.117 177.300 0.010 0.000 1.147 658 P CA 1.224 64.312 63.100 -0.020 0.000 0.790 658 P CB 0.024 31.707 31.700 -0.028 0.000 0.780 659 A N -1.761 121.053 122.820 -0.009 0.000 2.307 659 A HA 0.152 4.472 4.320 -0.000 0.000 0.218 659 A C 0.780 178.464 177.584 0.166 0.000 1.228 659 A CA 0.417 52.493 52.037 0.064 0.000 0.857 659 A CB -0.768 18.312 19.000 0.133 0.000 0.897 659 A HN 0.066 nan 8.150 nan 0.000 0.495 660 T N 0.511 115.178 114.554 0.189 0.000 2.845 660 T HA 0.274 4.624 4.350 -0.000 0.000 0.288 660 T C 0.134 174.974 174.700 0.232 0.000 0.980 660 T CA -0.290 61.972 62.100 0.270 0.000 1.071 660 T CB 1.341 70.457 68.868 0.413 0.000 0.941 660 T HN 0.228 nan 8.240 nan 0.000 0.487 661 D N 1.251 121.785 120.400 0.222 0.000 2.338 661 D HA 0.143 4.783 4.640 -0.000 0.000 0.224 661 D C 0.266 176.780 176.300 0.356 0.000 0.967 661 D CA 0.412 54.602 54.000 0.317 0.000 0.896 661 D CB 0.572 41.485 40.800 0.189 0.000 1.028 661 D HN 0.240 nan 8.370 nan 0.000 0.493 662 L N 1.246 122.556 121.223 0.145 0.000 2.372 662 L HA 0.281 4.621 4.340 -0.000 0.000 0.274 662 L C -0.833 175.917 176.870 -0.200 0.000 0.988 662 L CA -0.264 54.592 54.840 0.027 0.000 0.833 662 L CB 1.940 43.998 42.059 -0.002 0.000 1.236 662 L HN -0.186 nan 8.230 nan 0.000 0.410 663 S N 4.478 119.987 115.700 -0.318 0.000 2.430 663 S HA 0.286 4.756 4.470 -0.000 0.000 0.289 663 S C -0.223 174.146 174.600 -0.385 0.000 1.143 663 S CA -0.641 57.140 58.200 -0.698 0.000 1.067 663 S CB 0.506 63.235 63.200 -0.785 0.000 0.964 663 S HN 0.559 nan 8.310 nan 0.000 0.485 664 E N 4.216 124.196 120.200 -0.366 0.000 2.105 664 E HA 0.169 4.519 4.350 -0.000 0.000 0.285 664 E C -0.465 176.050 176.600 -0.142 0.000 1.055 664 E CA -0.282 56.017 56.400 -0.168 0.000 0.843 664 E CB 0.795 30.415 29.700 -0.133 0.000 1.067 664 E HN 0.604 nan 8.360 nan 0.000 0.398 665 Q N 2.825 122.587 119.800 -0.062 0.000 3.122 665 Q HA 0.254 4.593 4.340 -0.000 0.000 0.282 665 Q C 0.625 176.615 176.000 -0.016 0.000 0.947 665 Q CA -0.122 55.649 55.803 -0.053 0.000 0.812 665 Q CB 0.252 28.956 28.738 -0.055 0.000 1.333 665 Q HN 0.616 nan 8.270 nan 0.000 0.430 666 I N -1.667 118.889 120.570 -0.023 0.000 3.736 666 I HA 0.260 4.430 4.170 -0.000 0.000 0.338 666 I C 0.487 176.576 176.117 -0.047 0.000 1.558 666 I CA -0.640 60.664 61.300 0.006 0.000 1.147 666 I CB 0.289 38.291 38.000 0.004 0.000 1.275 666 I HN 0.005 nan 8.210 nan 0.000 0.454 667 S N 0.578 116.247 115.700 -0.052 0.000 2.569 667 S HA 0.144 4.614 4.470 -0.000 0.000 0.274 667 S C 0.555 175.156 174.600 0.001 0.000 1.353 667 S CA -0.239 57.955 58.200 -0.011 0.000 1.023 667 S CB 0.277 63.523 63.200 0.077 0.000 0.876 667 S HN 0.399 nan 8.310 nan 0.000 0.540 668 T N 2.540 117.129 114.554 0.060 0.000 2.870 668 T HA 0.449 4.799 4.350 -0.000 0.000 0.300 668 T C 0.722 175.441 174.700 0.030 0.000 0.989 668 T CA 0.161 62.297 62.100 0.060 0.000 1.139 668 T CB 0.207 69.179 68.868 0.174 0.000 0.920 668 T HN 1.017 nan 8.240 nan 0.000 0.537 669 A N 2.623 125.428 122.820 -0.024 0.000 2.591 669 A HA 0.426 4.746 4.320 -0.000 0.000 0.244 669 A C 1.667 179.249 177.584 -0.005 0.000 1.031 669 A CA 0.407 52.424 52.037 -0.033 0.000 0.767 669 A CB -0.951 18.017 19.000 -0.053 0.000 0.942 669 A HN 1.700 nan 8.150 nan 0.000 0.514 670 G N 1.342 110.138 108.800 -0.006 0.000 2.194 670 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 670 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 670 G C 0.995 175.885 174.900 -0.017 0.000 0.987 670 G CA 1.104 46.203 45.100 -0.001 0.000 0.635 670 G HN 2.019 nan 8.290 nan 0.000 0.520 671 T N -2.244 112.292 114.554 -0.030 0.000 3.039 671 T HA 0.401 4.751 4.350 -0.000 0.000 0.250 671 T C 0.783 175.304 174.700 -0.298 0.000 1.052 671 T CA 1.195 63.193 62.100 -0.170 0.000 1.125 671 T CB 0.539 69.330 68.868 -0.129 0.000 0.908 671 T HN 0.290 nan 8.240 nan 0.000 0.473 672 E N 1.307 121.470 120.200 -0.062 0.000 2.014 672 E HA 0.679 5.029 4.350 -0.000 0.000 0.275 672 E C 1.137 177.692 176.600 -0.075 0.000 0.997 672 E CA -0.026 56.376 56.400 0.003 0.000 0.804 672 E CB 0.765 30.524 29.700 0.098 0.000 1.090 672 E HN 0.308 nan 8.360 nan 0.000 0.401 673 A N 3.345 126.058 122.820 -0.178 0.000 1.927 673 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 673 A C 1.940 179.415 177.584 -0.182 0.000 1.185 673 A CA 2.409 54.236 52.037 -0.350 0.000 0.639 673 A CB -0.234 18.308 19.000 -0.762 0.000 0.820 673 A HN 0.609 nan 8.150 nan 0.000 0.451 674 S N -4.237 111.401 115.700 -0.102 0.000 4.193 674 S HA 0.456 4.926 4.470 -0.000 0.000 0.211 674 S C 0.664 175.245 174.600 -0.032 0.000 1.162 674 S CA 1.361 59.540 58.200 -0.034 0.000 1.039 674 S CB -0.123 63.075 63.200 -0.003 0.000 1.371 674 S HN 2.336 nan 8.310 nan 0.000 0.550 675 G N 0.124 108.908 108.800 -0.027 0.000 2.690 675 G HA2 0.055 4.015 3.960 -0.000 0.000 0.686 675 G HA3 0.055 4.015 3.960 -0.000 0.000 0.686 675 G C 0.215 175.079 174.900 -0.061 0.000 1.277 675 G CA 0.407 45.486 45.100 -0.035 0.000 0.799 675 G HN 1.454 nan 8.290 nan 0.000 0.613 676 T N -2.792 111.710 114.554 -0.088 0.000 3.074 676 T HA 0.364 4.714 4.350 -0.000 0.000 0.258 676 T C 2.303 176.875 174.700 -0.213 0.000 0.891 676 T CA 1.310 63.324 62.100 -0.145 0.000 0.867 676 T CB 0.162 68.940 68.868 -0.150 0.000 1.261 676 T HN 1.955 nan 8.240 nan 0.000 0.537 677 G N 3.302 112.008 108.800 -0.157 0.000 2.422 677 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 677 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 677 G C 1.545 176.451 174.900 0.009 0.000 1.146 677 G CA 1.310 46.322 45.100 -0.145 0.000 0.769 677 G HN 0.685 nan 8.290 nan 0.000 0.547 678 N N 1.153 119.862 118.700 0.015 0.000 2.137 678 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 678 N C 2.018 177.499 175.510 -0.048 0.000 1.017 678 N CA 1.875 54.939 53.050 0.024 0.000 0.859 678 N CB -0.716 37.722 38.487 -0.082 0.000 1.002 678 N HN 0.415 nan 8.380 nan 0.000 0.428 679 M N 0.132 119.629 119.600 -0.171 0.000 2.175 679 M HA 0.010 4.490 4.480 -0.000 0.000 0.264 679 M C 1.985 178.214 176.300 -0.119 0.000 1.063 679 M CA 1.388 56.565 55.300 -0.205 0.000 1.119 679 M CB -0.208 32.275 32.600 -0.196 0.000 1.377 679 M HN 0.105 nan 8.290 nan 0.000 0.415 680 K N 0.157 120.425 120.400 -0.219 0.000 2.026 680 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 680 K C 1.712 178.208 176.600 -0.172 0.000 1.048 680 K CA 1.425 57.543 56.287 -0.282 0.000 0.929 680 K CB -0.297 31.827 32.500 -0.626 0.000 0.713 680 K HN 0.128 nan 8.250 nan 0.000 0.439 681 F N 1.167 121.063 119.950 -0.091 0.000 2.134 681 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 681 F C 2.560 178.344 175.800 -0.028 0.000 1.097 681 F CA 1.234 59.206 58.000 -0.047 0.000 1.264 681 F CB -0.384 38.583 39.000 -0.055 0.000 1.001 681 F HN 0.013 nan 8.300 nan 0.000 0.479 682 M N -0.286 119.399 119.600 0.141 0.000 2.080 682 M HA -0.239 4.241 4.480 -0.000 0.000 0.260 682 M C 2.272 178.616 176.300 0.073 0.000 1.068 682 M CA 1.725 57.070 55.300 0.075 0.000 1.109 682 M CB -0.422 32.187 32.600 0.016 0.000 1.342 682 M HN 0.262 nan 8.290 nan 0.000 0.405 683 L N 0.216 121.481 121.223 0.070 0.000 2.191 683 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 683 L C 1.126 178.031 176.870 0.058 0.000 1.103 683 L CA 1.193 56.077 54.840 0.073 0.000 0.769 683 L CB -0.432 41.681 42.059 0.090 0.000 0.908 683 L HN 0.449 nan 8.230 nan 0.000 0.438 684 N N -0.181 118.555 118.700 0.059 0.000 2.276 684 N HA 0.064 4.804 4.740 -0.000 0.000 0.212 684 N C 0.932 176.483 175.510 0.068 0.000 1.127 684 N CA 0.835 53.917 53.050 0.053 0.000 0.834 684 N CB 0.835 39.343 38.487 0.034 0.000 1.014 684 N HN 0.430 nan 8.380 nan 0.000 0.491 685 G N 0.381 109.224 108.800 0.071 0.000 2.132 685 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.234 685 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.234 685 G C 0.068 175.044 174.900 0.127 0.000 0.989 685 G CA 0.141 45.285 45.100 0.074 0.000 0.676 685 G HN 0.532 nan 8.290 nan 0.000 0.522 686 A N -0.439 122.473 122.820 0.154 0.000 2.294 686 A HA 0.893 5.213 4.320 -0.000 0.000 0.330 686 A C 0.298 177.927 177.584 0.074 0.000 1.133 686 A CA -0.568 51.577 52.037 0.179 0.000 0.836 686 A CB 1.034 20.175 19.000 0.235 0.000 1.190 686 A HN 0.704 nan 8.150 nan 0.000 0.492 687 L N 0.555 121.796 121.223 0.030 0.000 2.360 687 L HA 0.471 4.811 4.340 -0.000 0.000 0.271 687 L C 0.075 176.945 176.870 -0.000 0.000 1.057 687 L CA -0.407 54.392 54.840 -0.070 0.000 0.803 687 L CB 1.908 43.786 42.059 -0.302 0.000 1.207 687 L HN 0.712 nan 8.230 nan 0.000 0.445 688 T N 3.050 117.626 114.554 0.037 0.000 2.794 688 T HA 0.458 4.808 4.350 -0.000 0.000 0.280 688 T C -0.433 174.352 174.700 0.142 0.000 0.987 688 T CA -0.244 61.875 62.100 0.032 0.000 0.993 688 T CB 1.455 70.323 68.868 -0.001 0.000 0.939 688 T HN 0.345 nan 8.240 nan 0.000 0.449 689 I N 2.998 123.632 120.570 0.108 0.000 2.355 689 I HA 0.710 4.880 4.170 -0.000 0.000 0.288 689 I C 0.048 176.331 176.117 0.278 0.000 0.999 689 I CA 0.011 61.451 61.300 0.234 0.000 1.163 689 I CB 0.346 38.413 38.000 0.112 0.000 1.316 689 I HN 0.798 nan 8.210 nan 0.000 0.454 690 G N 4.164 113.154 108.800 0.317 0.000 2.606 690 G HA2 0.495 4.455 3.960 -0.000 0.000 0.300 690 G HA3 0.495 4.455 3.960 -0.000 0.000 0.300 690 G C -0.944 173.780 174.900 -0.294 0.000 1.360 690 G CA -0.334 44.843 45.100 0.128 0.000 0.783 690 G HN 0.541 nan 8.290 nan 0.000 0.484 691 T N -2.406 111.908 114.554 -0.400 0.000 2.912 691 T HA 0.552 4.902 4.350 -0.000 0.000 0.280 691 T C 0.304 174.857 174.700 -0.246 0.000 0.989 691 T CA -0.629 61.166 62.100 -0.507 0.000 0.995 691 T CB 1.525 70.138 68.868 -0.423 0.000 1.077 691 T HN 0.299 nan 8.240 nan 0.000 0.531 692 M N 2.765 122.244 119.600 -0.202 0.000 3.237 692 M HA 0.411 4.891 4.480 -0.000 0.000 0.266 692 M C -0.902 175.347 176.300 -0.084 0.000 1.456 692 M CA -0.690 54.543 55.300 -0.112 0.000 1.593 692 M CB -1.879 30.668 32.600 -0.089 0.000 1.129 692 M HN 0.724 nan 8.290 nan 0.000 0.547 693 D N 0.862 121.217 120.400 -0.074 0.000 2.645 693 D HA 0.717 5.357 4.640 -0.000 0.000 0.228 693 D C 0.620 176.903 176.300 -0.028 0.000 1.148 693 D CA 0.774 54.747 54.000 -0.045 0.000 0.860 693 D CB 1.472 42.243 40.800 -0.048 0.000 1.548 693 D HN 0.558 nan 8.370 nan 0.000 0.460 694 G N 1.483 110.279 108.800 -0.006 0.000 2.627 694 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.312 694 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.312 694 G C 1.042 175.946 174.900 0.006 0.000 1.299 694 G CA 1.155 46.256 45.100 0.002 0.000 0.989 694 G HN 1.092 nan 8.290 nan 0.000 0.547 695 A N -0.301 122.513 122.820 -0.011 0.000 2.209 695 A HA 0.095 4.415 4.320 -0.000 0.000 0.212 695 A C 2.102 179.642 177.584 -0.073 0.000 1.158 695 A CA 1.793 53.822 52.037 -0.014 0.000 0.742 695 A CB -0.435 18.533 19.000 -0.053 0.000 0.790 695 A HN 0.599 nan 8.150 nan 0.000 0.472 696 N N 0.451 119.105 118.700 -0.076 0.000 2.149 696 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 696 N C 1.592 177.077 175.510 -0.042 0.000 1.019 696 N CA 1.562 54.562 53.050 -0.084 0.000 0.857 696 N CB -0.542 37.900 38.487 -0.075 0.000 0.997 696 N HN 0.299 nan 8.380 nan 0.000 0.426 697 V N 1.360 121.265 119.914 -0.015 0.000 2.343 697 V HA -0.201 3.918 4.120 -0.000 0.000 0.247 697 V C 1.901 178.027 176.094 0.054 0.000 1.051 697 V CA 1.639 63.944 62.300 0.009 0.000 1.036 697 V CB -0.481 31.349 31.823 0.012 0.000 0.654 697 V HN 0.355 nan 8.190 nan 0.000 0.451 698 E N -0.609 119.654 120.200 0.105 0.000 2.274 698 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 698 E C 2.173 178.981 176.600 0.347 0.000 0.996 698 E CA 0.875 57.403 56.400 0.214 0.000 0.840 698 E CB -0.166 29.714 29.700 0.301 0.000 0.772 698 E HN 0.552 nan 8.360 nan 0.000 0.491 699 M N 0.438 120.162 119.600 0.206 0.000 2.132 699 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 699 M C 2.466 178.846 176.300 0.133 0.000 1.065 699 M CA 1.362 56.756 55.300 0.156 0.000 1.122 699 M CB -0.126 32.384 32.600 -0.151 0.000 1.365 699 M HN 0.148 nan 8.290 nan 0.000 0.411 700 A N 0.465 123.322 122.820 0.062 0.000 1.902 700 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 700 A C 1.902 179.513 177.584 0.046 0.000 1.181 700 A CA 1.728 53.782 52.037 0.030 0.000 0.623 700 A CB -0.677 18.323 19.000 -0.001 0.000 0.818 700 A HN 0.543 nan 8.150 nan 0.000 0.443 701 E N -0.294 119.946 120.200 0.066 0.000 2.051 701 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 701 E C 1.970 178.604 176.600 0.058 0.000 0.991 701 E CA 1.219 57.650 56.400 0.051 0.000 0.799 701 E CB -0.172 29.559 29.700 0.053 0.000 0.748 701 E HN 0.551 nan 8.360 nan 0.000 0.449 702 E N 0.494 120.755 120.200 0.102 0.000 2.047 702 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 702 E C 1.900 178.558 176.600 0.097 0.000 0.987 702 E CA 1.139 57.592 56.400 0.088 0.000 0.799 702 E CB -0.140 29.629 29.700 0.115 0.000 0.752 702 E HN 0.239 nan 8.360 nan 0.000 0.449 703 A N 0.279 123.163 122.820 0.107 0.000 2.195 703 A HA 0.393 4.713 4.320 -0.000 0.000 0.210 703 A C 0.969 178.579 177.584 0.045 0.000 1.165 703 A CA 0.922 53.010 52.037 0.086 0.000 0.806 703 A CB 0.140 19.182 19.000 0.071 0.000 0.847 703 A HN 0.235 nan 8.150 nan 0.000 0.482 704 G N -0.478 108.336 108.800 0.025 0.000 3.209 704 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.686 704 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.686 704 G C 0.077 174.959 174.900 -0.029 0.000 1.065 704 G CA 0.133 45.230 45.100 -0.005 0.000 0.812 704 G HN 0.276 nan 8.290 nan 0.000 0.573 705 E N 0.603 120.782 120.200 -0.035 0.000 2.160 705 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 705 E C 2.376 178.917 176.600 -0.098 0.000 0.991 705 E CA 1.545 57.913 56.400 -0.054 0.000 0.810 705 E CB 0.099 29.774 29.700 -0.042 0.000 0.742 705 E HN 0.707 nan 8.360 nan 0.000 0.466 706 E N 0.179 120.318 120.200 -0.101 0.000 2.409 706 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 706 E C 0.783 177.249 176.600 -0.223 0.000 1.024 706 E CA 0.640 56.951 56.400 -0.149 0.000 0.861 706 E CB -0.158 29.479 29.700 -0.106 0.000 0.788 706 E HN 0.215 nan 8.360 nan 0.000 0.521 707 N N 0.373 118.967 118.700 -0.177 0.000 2.322 707 N HA 0.162 4.902 4.740 -0.000 0.000 0.194 707 N C -0.485 174.886 175.510 -0.233 0.000 1.126 707 N CA 0.120 53.051 53.050 -0.199 0.000 0.845 707 N CB 0.499 38.925 38.487 -0.102 0.000 0.976 707 N HN 0.112 nan 8.380 nan 0.000 0.475 708 L N -0.430 120.639 121.223 -0.256 0.000 2.371 708 L HA 0.431 4.771 4.340 -0.000 0.000 0.262 708 L C -0.647 176.049 176.870 -0.290 0.000 1.006 708 L CA -0.538 54.194 54.840 -0.180 0.000 0.818 708 L CB 1.649 43.669 42.059 -0.065 0.000 1.354 708 L HN -0.144 nan 8.230 nan 0.000 0.415 709 F N 3.622 123.563 119.950 -0.014 0.000 2.541 709 F HA 0.338 4.865 4.527 -0.000 0.000 0.351 709 F C 0.188 176.063 175.800 0.125 0.000 1.209 709 F CA -0.357 57.667 58.000 0.040 0.000 1.277 709 F CB -0.127 38.890 39.000 0.028 0.000 1.632 709 F HN 0.076 nan 8.300 nan 0.000 0.619 710 I N 3.346 123.999 120.570 0.138 0.000 2.519 710 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 710 I C 0.058 176.284 176.117 0.182 0.000 1.047 710 I CA -0.437 60.914 61.300 0.085 0.000 1.381 710 I CB 0.358 38.346 38.000 -0.020 0.000 1.417 710 I HN 0.350 nan 8.210 nan 0.000 0.540 711 F N 1.995 121.978 119.950 0.056 0.000 2.831 711 F HA 0.805 5.331 4.527 -0.000 0.000 0.318 711 F C 0.115 175.944 175.800 0.049 0.000 1.174 711 F CA -0.379 57.658 58.000 0.062 0.000 0.918 711 F CB 0.782 39.839 39.000 0.095 0.000 1.364 711 F HN 0.810 nan 8.300 nan 0.000 0.475 712 G N 0.888 109.802 108.800 0.190 0.000 2.752 712 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.234 712 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.234 712 G C -0.706 174.174 174.900 -0.032 0.000 1.367 712 G CA -0.385 44.767 45.100 0.086 0.000 0.879 712 G HN 0.957 nan 8.290 nan 0.000 0.563 713 M N 0.734 120.324 119.600 -0.017 0.000 2.245 713 M HA 0.258 4.738 4.480 -0.000 0.000 0.344 713 M C 1.373 177.634 176.300 -0.065 0.000 1.170 713 M CA 0.520 55.806 55.300 -0.023 0.000 1.135 713 M CB 0.395 32.987 32.600 -0.013 0.000 1.574 713 M HN 0.552 nan 8.290 nan 0.000 0.452 714 R N 1.512 121.986 120.500 -0.043 0.000 2.602 714 R HA 0.407 4.747 4.340 -0.000 0.000 0.237 714 R C 1.319 177.599 176.300 -0.034 0.000 1.219 714 R CA -0.772 55.299 56.100 -0.049 0.000 1.121 714 R CB 0.705 30.983 30.300 -0.037 0.000 1.408 714 R HN 0.770 nan 8.270 nan 0.000 0.559 715 I N 1.143 121.696 120.570 -0.029 0.000 2.264 715 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 715 I C 0.910 177.018 176.117 -0.015 0.000 1.111 715 I CA 1.799 63.086 61.300 -0.021 0.000 1.382 715 I CB -0.028 37.961 38.000 -0.018 0.000 1.060 715 I HN 0.505 nan 8.210 nan 0.000 0.418 716 D N 0.915 121.308 120.400 -0.012 0.000 2.144 716 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 716 D C 1.742 178.043 176.300 0.001 0.000 0.978 716 D CA 1.215 55.212 54.000 -0.005 0.000 0.833 716 D CB -0.338 40.460 40.800 -0.002 0.000 0.961 716 D HN 0.471 nan 8.370 nan 0.000 0.470 717 D N 0.538 120.940 120.400 0.002 0.000 2.144 717 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 717 D C 2.308 178.612 176.300 0.007 0.000 0.984 717 D CA 0.450 54.458 54.000 0.013 0.000 0.834 717 D CB -0.079 40.731 40.800 0.017 0.000 0.955 717 D HN 0.092 nan 8.370 nan 0.000 0.465 718 V N 1.811 121.718 119.914 -0.012 0.000 2.295 718 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 718 V C 2.630 178.714 176.094 -0.018 0.000 1.049 718 V CA 1.807 64.090 62.300 -0.028 0.000 1.024 718 V CB -0.784 31.019 31.823 -0.033 0.000 0.648 718 V HN 0.172 nan 8.190 nan 0.000 0.447 719 A N 0.144 122.959 122.820 -0.009 0.000 1.851 719 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 719 A C 2.470 180.059 177.584 0.009 0.000 1.195 719 A CA 2.464 54.499 52.037 -0.004 0.000 0.622 719 A CB -1.079 17.919 19.000 -0.005 0.000 0.831 719 A HN 0.592 nan 8.150 nan 0.000 0.444 720 A N -0.733 122.096 122.820 0.016 0.000 1.892 720 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 720 A C 2.146 179.757 177.584 0.045 0.000 1.188 720 A CA 1.962 54.017 52.037 0.029 0.000 0.631 720 A CB -0.705 18.314 19.000 0.032 0.000 0.822 720 A HN 0.773 nan 8.150 nan 0.000 0.447 721 L N -0.048 121.205 121.223 0.050 0.000 2.131 721 L HA -0.139 4.200 4.340 -0.000 0.000 0.210 721 L C 1.653 178.572 176.870 0.082 0.000 1.092 721 L CA 2.153 57.043 54.840 0.084 0.000 0.759 721 L CB -0.671 41.434 42.059 0.077 0.000 0.903 721 L HN 0.358 nan 8.230 nan 0.000 0.435 722 D N -0.249 120.175 120.400 0.040 0.000 2.078 722 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 722 D C 2.032 178.361 176.300 0.048 0.000 0.990 722 D CA 1.469 55.490 54.000 0.036 0.000 0.827 722 D CB -0.025 40.779 40.800 0.007 0.000 0.975 722 D HN 0.329 nan 8.370 nan 0.000 0.451 723 K N 1.186 121.607 120.400 0.036 0.000 2.015 723 K HA -0.250 4.070 4.320 -0.000 0.000 0.216 723 K C 2.079 178.706 176.600 0.045 0.000 1.052 723 K CA 1.877 58.184 56.287 0.034 0.000 0.937 723 K CB -0.100 32.417 32.500 0.027 0.000 0.719 723 K HN -0.068 nan 8.250 nan 0.000 0.446 724 K N -0.172 120.261 120.400 0.056 0.000 2.160 724 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 724 K C 0.019 176.663 176.600 0.074 0.000 1.047 724 K CA 1.409 57.734 56.287 0.063 0.000 0.930 724 K CB -0.248 32.297 32.500 0.075 0.000 0.720 724 K HN 0.458 nan 8.250 nan 0.000 0.450 725 G N 0.231 109.088 108.800 0.095 0.000 3.355 725 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.686 725 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.686 725 G C -1.429 173.574 174.900 0.173 0.000 1.097 725 G CA -0.246 44.919 45.100 0.108 0.000 0.881 725 G HN 0.315 nan 8.290 nan 0.000 0.550 726 Y N 2.628 122.955 120.300 0.046 0.000 2.425 726 Y HA 0.608 5.158 4.550 -0.000 0.000 0.347 726 Y C 0.414 176.361 175.900 0.078 0.000 0.976 726 Y CA -0.778 57.366 58.100 0.073 0.000 1.190 726 Y CB 1.224 39.704 38.460 0.033 0.000 1.136 726 Y HN 0.592 nan 8.280 nan 0.000 0.517 727 E N 5.556 125.605 120.200 -0.252 0.000 2.121 727 E HA 0.428 4.778 4.350 -0.000 0.000 0.255 727 E C 0.422 176.777 176.600 -0.408 0.000 0.906 727 E CA -0.061 56.161 56.400 -0.297 0.000 0.745 727 E CB 0.938 30.593 29.700 -0.075 0.000 1.155 727 E HN 0.981 nan 8.360 nan 0.000 0.424 728 A N 5.162 127.535 122.820 -0.746 0.000 1.958 728 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 728 A C 1.895 179.496 177.584 0.029 0.000 1.178 728 A CA 1.575 53.321 52.037 -0.484 0.000 0.642 728 A CB -0.198 18.373 19.000 -0.715 0.000 0.816 728 A HN 0.648 nan 8.150 nan 0.000 0.453 729 K N -0.476 119.958 120.400 0.055 0.000 2.074 729 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 729 K C 1.950 178.697 176.600 0.246 0.000 1.048 729 K CA 1.798 58.248 56.287 0.270 0.000 0.926 729 K CB -0.272 32.372 32.500 0.240 0.000 0.713 729 K HN 0.702 nan 8.250 nan 0.000 0.444 730 E N -0.112 120.143 120.200 0.092 0.000 2.048 730 E HA -0.253 4.097 4.350 -0.000 0.000 0.202 730 E C 2.063 178.623 176.600 -0.067 0.000 1.021 730 E CA 2.020 58.389 56.400 -0.053 0.000 0.825 730 E CB -0.420 29.131 29.700 -0.249 0.000 0.756 730 E HN 0.404 nan 8.360 nan 0.000 0.454 731 Y N -0.418 119.945 120.300 0.105 0.000 2.165 731 Y HA -0.275 4.275 4.550 -0.000 0.000 0.286 731 Y C 2.363 178.241 175.900 -0.037 0.000 1.155 731 Y CA 1.577 59.718 58.100 0.069 0.000 1.164 731 Y CB -0.919 37.629 38.460 0.146 0.000 0.978 731 Y HN 0.199 nan 8.280 nan 0.000 0.513 732 Y N 1.584 121.894 120.300 0.017 0.000 2.081 732 Y HA -0.288 4.262 4.550 -0.000 0.000 0.280 732 Y C 2.178 178.063 175.900 -0.026 0.000 1.163 732 Y CA 2.080 60.109 58.100 -0.119 0.000 1.135 732 Y CB -0.367 38.125 38.460 0.053 0.000 0.970 732 Y HN 0.169 nan 8.280 nan 0.000 0.498 733 E N 0.300 120.499 120.200 -0.001 0.000 2.072 733 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 733 E C 2.377 178.898 176.600 -0.133 0.000 0.985 733 E CA 1.124 57.458 56.400 -0.110 0.000 0.801 733 E CB -0.650 29.085 29.700 0.059 0.000 0.750 733 E HN 0.580 nan 8.360 nan 0.000 0.452 734 A N 1.212 123.985 122.820 -0.078 0.000 2.121 734 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 734 A C 1.278 178.829 177.584 -0.054 0.000 1.154 734 A CA 0.522 52.520 52.037 -0.065 0.000 0.679 734 A CB -0.189 18.768 19.000 -0.072 0.000 0.795 734 A HN 0.092 nan 8.150 nan 0.000 0.458 735 L N 0.282 121.452 121.223 -0.088 0.000 2.388 735 L HA 0.287 4.627 4.340 -0.000 0.000 0.267 735 L C -1.697 175.088 176.870 -0.142 0.000 0.995 735 L CA -1.923 52.881 54.840 -0.059 0.000 0.864 735 L CB 1.955 44.025 42.059 0.019 0.000 1.216 735 L HN 0.018 nan 8.230 nan 0.000 0.430 736 P HA -0.219 nan 4.420 nan 0.000 0.216 736 P C 0.931 178.167 177.300 -0.107 0.000 1.153 736 P CA 1.484 64.510 63.100 -0.123 0.000 0.858 736 P CB 0.515 32.169 31.700 -0.077 0.000 0.789 737 E N -0.750 119.428 120.200 -0.036 0.000 2.150 737 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 737 E C 2.094 178.659 176.600 -0.058 0.000 0.985 737 E CA 0.591 56.995 56.400 0.005 0.000 0.814 737 E CB -0.491 29.276 29.700 0.111 0.000 0.752 737 E HN 0.139 nan 8.360 nan 0.000 0.466 738 L N 1.696 122.787 121.223 -0.219 0.000 2.056 738 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 738 L C 2.234 178.883 176.870 -0.368 0.000 1.078 738 L CA 1.818 56.294 54.840 -0.607 0.000 0.749 738 L CB -0.310 41.155 42.059 -0.990 0.000 0.901 738 L HN -0.126 nan 8.230 nan 0.000 0.433 739 K N -0.716 119.481 120.400 -0.339 0.000 2.032 739 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 739 K C 2.167 178.731 176.600 -0.061 0.000 1.048 739 K CA 1.949 58.047 56.287 -0.316 0.000 0.927 739 K CB -0.396 31.765 32.500 -0.565 0.000 0.712 739 K HN 0.331 nan 8.250 nan 0.000 0.441 740 L N 1.067 122.233 121.223 -0.094 0.000 2.042 740 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 740 L C 2.022 178.880 176.870 -0.019 0.000 1.076 740 L CA 1.483 56.290 54.840 -0.055 0.000 0.749 740 L CB -0.515 41.497 42.059 -0.079 0.000 0.893 740 L HN 0.032 nan 8.230 nan 0.000 0.432 741 V N -0.179 119.722 119.914 -0.022 0.000 2.233 741 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 741 V C 2.544 178.688 176.094 0.082 0.000 1.050 741 V CA 1.907 64.223 62.300 0.027 0.000 1.010 741 V CB -0.620 31.188 31.823 -0.025 0.000 0.637 741 V HN 0.371 nan 8.190 nan 0.000 0.444 742 I N 0.310 120.929 120.570 0.082 0.000 2.163 742 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 742 I C 2.357 178.616 176.117 0.237 0.000 1.085 742 I CA 1.783 63.206 61.300 0.204 0.000 1.347 742 I CB -1.478 36.722 38.000 0.335 0.000 1.044 742 I HN 0.375 nan 8.210 nan 0.000 0.408 743 D N 0.475 121.016 120.400 0.235 0.000 2.123 743 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 743 D C 2.262 178.652 176.300 0.150 0.000 0.992 743 D CA 1.078 55.190 54.000 0.186 0.000 0.833 743 D CB -0.207 40.684 40.800 0.152 0.000 0.954 743 D HN 0.483 nan 8.370 nan 0.000 0.455 744 Q N 0.034 119.903 119.800 0.115 0.000 2.084 744 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 744 Q C 2.514 178.698 176.000 0.306 0.000 0.978 744 Q CA 0.809 56.681 55.803 0.114 0.000 0.844 744 Q CB -0.031 28.666 28.738 -0.069 0.000 0.898 744 Q HN 0.351 nan 8.270 nan 0.000 0.426 745 I N 0.591 121.363 120.570 0.336 0.000 2.226 745 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 745 I C 1.989 178.315 176.117 0.347 0.000 1.100 745 I CA 1.300 62.812 61.300 0.352 0.000 1.374 745 I CB -0.178 37.922 38.000 0.166 0.000 1.057 745 I HN 0.199 nan 8.210 nan 0.000 0.413 746 D N 0.791 121.348 120.400 0.262 0.000 2.183 746 D HA -0.149 4.491 4.640 -0.000 0.000 0.203 746 D C 1.612 178.021 176.300 0.181 0.000 0.969 746 D CA 1.072 55.201 54.000 0.215 0.000 0.842 746 D CB 0.027 40.922 40.800 0.159 0.000 0.957 746 D HN 0.176 nan 8.370 nan 0.000 0.484 747 N N -0.729 118.079 118.700 0.179 0.000 2.336 747 N HA 0.160 4.900 4.740 -0.000 0.000 0.189 747 N C 1.167 176.765 175.510 0.147 0.000 1.113 747 N CA 0.854 53.989 53.050 0.141 0.000 0.858 747 N CB 1.083 39.643 38.487 0.121 0.000 0.970 747 N HN 0.313 nan 8.380 nan 0.000 0.471 748 G N 0.732 109.653 108.800 0.201 0.000 2.175 748 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.244 748 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.244 748 G C 0.665 175.648 174.900 0.139 0.000 0.982 748 G CA 0.155 45.357 45.100 0.171 0.000 0.641 748 G HN 0.358 nan 8.290 nan 0.000 0.527 749 F N 0.605 120.545 119.950 -0.017 0.000 2.154 749 F HA 0.097 4.624 4.527 -0.000 0.000 0.301 749 F C 1.826 177.432 175.800 -0.324 0.000 1.087 749 F CA 2.200 60.068 58.000 -0.220 0.000 1.274 749 F CB -0.103 38.665 39.000 -0.386 0.000 1.009 749 F HN 0.154 nan 8.300 nan 0.000 0.485 750 F N -0.177 119.921 119.950 0.246 0.000 2.660 750 F HA 0.200 4.727 4.527 -0.000 0.000 0.302 750 F C 0.726 176.621 175.800 0.157 0.000 1.103 750 F CA 0.339 58.424 58.000 0.140 0.000 1.340 750 F CB -0.196 38.890 39.000 0.143 0.000 1.048 750 F HN 0.024 nan 8.300 nan 0.000 0.551 751 S N -1.766 114.070 115.700 0.226 0.000 2.630 751 S HA 0.196 4.666 4.470 -0.000 0.000 0.173 751 S C -2.068 172.548 174.600 0.027 0.000 1.048 751 S CA -0.850 57.424 58.200 0.124 0.000 1.172 751 S CB 0.287 63.547 63.200 0.101 0.000 1.638 751 S HN -0.124 nan 8.310 nan 0.000 0.429 752 P HA -0.234 nan 4.420 nan 0.000 0.217 752 P C 1.006 178.292 177.300 -0.024 0.000 1.162 752 P CA 1.674 64.746 63.100 -0.046 0.000 0.901 752 P CB -0.015 31.631 31.700 -0.090 0.000 0.793 753 K N -0.559 119.828 120.400 -0.022 0.000 2.442 753 K HA -0.095 4.225 4.320 -0.000 0.000 0.198 753 K C 1.332 177.925 176.600 -0.011 0.000 1.042 753 K CA 0.707 56.986 56.287 -0.014 0.000 0.958 753 K CB -0.350 32.144 32.500 -0.009 0.000 0.766 753 K HN 0.383 nan 8.250 nan 0.000 0.474 754 Q N -0.568 119.221 119.800 -0.018 0.000 3.557 754 Q HA 0.186 4.526 4.340 -0.000 0.000 0.264 754 Q C -2.393 173.588 176.000 -0.031 0.000 0.850 754 Q CA -1.126 54.660 55.803 -0.028 0.000 0.833 754 Q CB 1.359 30.070 28.738 -0.045 0.000 1.505 754 Q HN -0.173 nan 8.270 nan 0.000 0.402 755 P HA -0.205 nan 4.420 nan 0.000 0.218 755 P C 0.295 177.622 177.300 0.045 0.000 1.146 755 P CA 1.636 64.757 63.100 0.035 0.000 0.820 755 P CB 0.207 31.928 31.700 0.035 0.000 0.778 756 D N -1.859 118.549 120.400 0.013 0.000 2.368 756 D HA 0.004 4.644 4.640 -0.000 0.000 0.218 756 D C 1.587 177.874 176.300 -0.022 0.000 1.112 756 D CA -0.253 53.762 54.000 0.025 0.000 0.834 756 D CB -0.754 40.062 40.800 0.027 0.000 0.953 756 D HN 0.032 nan 8.370 nan 0.000 0.505 757 L N 0.097 121.234 121.223 -0.142 0.000 2.051 757 L HA -0.119 4.221 4.340 -0.000 0.000 0.214 757 L C 1.065 177.700 176.870 -0.392 0.000 1.076 757 L CA 1.664 56.300 54.840 -0.341 0.000 0.758 757 L CB -0.689 40.969 42.059 -0.668 0.000 0.890 757 L HN -0.073 nan 8.230 nan 0.000 0.433 758 F N -0.909 119.098 119.950 0.095 0.000 2.663 758 F HA 0.172 4.699 4.527 -0.000 0.000 0.299 758 F C 1.910 177.774 175.800 0.108 0.000 1.143 758 F CA -0.154 57.900 58.000 0.089 0.000 1.387 758 F CB -0.722 38.324 39.000 0.076 0.000 1.019 758 F HN 0.017 nan 8.300 nan 0.000 0.523 759 K N 1.166 121.683 120.400 0.196 0.000 2.044 759 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 759 K C 1.513 178.229 176.600 0.193 0.000 1.049 759 K CA 1.943 58.333 56.287 0.171 0.000 0.927 759 K CB -0.354 32.214 32.500 0.114 0.000 0.713 759 K HN 0.081 nan 8.250 nan 0.000 0.443 760 D N -0.039 120.483 120.400 0.204 0.000 2.144 760 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 760 D C 1.961 178.391 176.300 0.217 0.000 0.984 760 D CA 1.230 55.361 54.000 0.218 0.000 0.834 760 D CB -0.134 40.835 40.800 0.282 0.000 0.955 760 D HN 0.288 nan 8.370 nan 0.000 0.465 761 I N 0.801 121.505 120.570 0.223 0.000 2.142 761 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 761 I C 2.261 178.492 176.117 0.190 0.000 1.078 761 I CA 0.615 62.026 61.300 0.184 0.000 1.343 761 I CB -0.176 37.926 38.000 0.170 0.000 1.046 761 I HN -0.016 nan 8.210 nan 0.000 0.405 762 I N 1.087 121.796 120.570 0.232 0.000 2.208 762 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 762 I C 2.356 178.652 176.117 0.298 0.000 1.097 762 I CA 1.849 63.316 61.300 0.279 0.000 1.363 762 I CB -1.644 36.502 38.000 0.243 0.000 1.051 762 I HN 0.385 nan 8.210 nan 0.000 0.413 763 N N 0.925 119.784 118.700 0.266 0.000 2.084 763 N HA -0.219 4.521 4.740 -0.000 0.000 0.190 763 N C 1.921 177.654 175.510 0.372 0.000 1.030 763 N CA 1.433 54.692 53.050 0.348 0.000 0.849 763 N CB -0.280 38.395 38.487 0.312 0.000 1.012 763 N HN 0.147 nan 8.380 nan 0.000 0.423 764 M N -0.146 119.623 119.600 0.281 0.000 2.108 764 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 764 M C 1.493 177.858 176.300 0.107 0.000 1.066 764 M CA 1.303 56.756 55.300 0.256 0.000 1.107 764 M CB -0.737 31.977 32.600 0.190 0.000 1.356 764 M HN 0.255 nan 8.290 nan 0.000 0.406 765 L N 0.167 121.388 121.223 -0.003 0.000 2.046 765 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 765 L C 2.172 178.686 176.870 -0.593 0.000 1.077 765 L CA 1.972 56.611 54.840 -0.336 0.000 0.747 765 L CB -1.324 40.534 42.059 -0.335 0.000 0.896 765 L HN 0.239 nan 8.230 nan 0.000 0.432 766 F N -2.667 116.992 119.950 -0.485 0.000 2.270 766 F HA -0.115 4.411 4.527 -0.000 0.000 0.295 766 F C 1.666 176.946 175.800 -0.866 0.000 1.087 766 F CA 1.059 58.595 58.000 -0.774 0.000 1.365 766 F CB -0.171 38.154 39.000 -1.124 0.000 1.056 766 F HN 0.057 nan 8.300 nan 0.000 0.506 767 Y N -3.511 116.799 120.300 0.017 0.000 2.426 767 Y HA 0.189 4.739 4.550 -0.000 0.000 0.249 767 Y C 0.502 176.044 175.900 -0.596 0.000 1.103 767 Y CA 0.004 57.941 58.100 -0.271 0.000 1.256 767 Y CB 0.140 38.406 38.460 -0.324 0.000 1.208 767 Y HN 0.006 nan 8.280 nan 0.000 0.519 768 H N -1.764 117.385 119.070 0.133 0.000 2.985 768 H HA 0.149 4.705 4.556 -0.000 0.000 0.246 768 H C -0.891 174.457 175.328 0.034 0.000 1.181 768 H CA -0.682 55.422 56.048 0.094 0.000 0.972 768 H CB 0.368 30.198 29.762 0.113 0.000 2.016 768 H HN -0.058 nan 8.280 nan 0.000 0.672 769 D N 1.817 122.262 120.400 0.075 0.000 2.402 769 D HA 0.030 4.670 4.640 -0.000 0.000 0.235 769 D C 1.028 177.265 176.300 -0.105 0.000 1.226 769 D CA -0.318 53.688 54.000 0.010 0.000 0.918 769 D CB 0.579 41.362 40.800 -0.029 0.000 1.043 769 D HN 0.503 nan 8.370 nan 0.000 0.506 770 R N 2.344 122.638 120.500 -0.345 0.000 2.319 770 R HA 0.100 4.440 4.340 -0.000 0.000 0.204 770 R C 0.235 176.051 176.300 -0.808 0.000 0.954 770 R CA 0.268 56.031 56.100 -0.562 0.000 1.066 770 R CB -0.088 29.843 30.300 -0.615 0.000 0.991 770 R HN 0.215 nan 8.270 nan 0.000 0.486 771 F N 1.075 121.001 119.950 -0.039 0.000 2.668 771 F HA 0.347 4.874 4.527 -0.000 0.000 0.301 771 F C -0.082 175.627 175.800 -0.151 0.000 1.106 771 F CA -1.304 56.664 58.000 -0.053 0.000 1.289 771 F CB 0.440 39.461 39.000 0.035 0.000 1.006 771 F HN -0.202 nan 8.300 nan 0.000 0.535 772 K N -0.253 119.991 120.400 -0.260 0.000 3.356 772 K HA -0.178 4.142 4.320 -0.000 0.000 0.270 772 K C 1.060 177.545 176.600 -0.193 0.000 0.901 772 K CA 0.405 56.385 56.287 -0.511 0.000 0.688 772 K CB -2.120 29.996 32.500 -0.641 0.000 1.460 772 K HN 0.230 nan 8.250 nan 0.000 0.458 773 V N -0.275 119.604 119.914 -0.059 0.000 2.252 773 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 773 V C 1.966 178.197 176.094 0.227 0.000 1.056 773 V CA 2.375 64.720 62.300 0.074 0.000 1.022 773 V CB -0.470 31.403 31.823 0.083 0.000 0.641 773 V HN 0.586 nan 8.190 nan 0.000 0.445 774 F N 0.196 120.110 119.950 -0.060 0.000 2.269 774 F HA -0.159 4.368 4.527 -0.000 0.000 0.301 774 F C 2.487 178.058 175.800 -0.382 0.000 1.082 774 F CA 0.544 58.460 58.000 -0.140 0.000 1.360 774 F CB -0.371 38.534 39.000 -0.158 0.000 1.041 774 F HN 0.204 nan 8.300 nan 0.000 0.512 775 A N -0.549 122.062 122.820 -0.348 0.000 2.070 775 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 775 A C 1.449 178.992 177.584 -0.069 0.000 1.159 775 A CA 1.772 53.502 52.037 -0.511 0.000 0.656 775 A CB -0.379 18.388 19.000 -0.388 0.000 0.800 775 A HN 0.232 nan 8.150 nan 0.000 0.453 776 D N -3.091 117.346 120.400 0.062 0.000 2.441 776 D HA 0.085 4.725 4.640 -0.000 0.000 0.210 776 D C 1.160 177.613 176.300 0.254 0.000 1.102 776 D CA -0.093 54.026 54.000 0.199 0.000 0.840 776 D CB -0.127 40.818 40.800 0.242 0.000 0.990 776 D HN 0.498 nan 8.370 nan 0.000 0.505 777 Y N 2.475 122.850 120.300 0.126 0.000 2.040 777 Y HA -0.315 4.235 4.550 -0.000 0.000 0.275 777 Y C 2.286 178.268 175.900 0.136 0.000 1.171 777 Y CA 2.499 60.686 58.100 0.145 0.000 1.123 777 Y CB 0.026 38.534 38.460 0.080 0.000 0.963 777 Y HN -0.040 nan 8.280 nan 0.000 0.493 778 E N -0.023 120.295 120.200 0.197 0.000 2.023 778 E HA -0.276 4.074 4.350 -0.000 0.000 0.196 778 E C 2.297 178.890 176.600 -0.010 0.000 1.003 778 E CA 1.597 58.042 56.400 0.075 0.000 0.809 778 E CB -0.551 29.272 29.700 0.205 0.000 0.755 778 E HN 0.548 nan 8.360 nan 0.000 0.449 779 A N -0.083 122.797 122.820 0.099 0.000 1.940 779 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 779 A C 2.107 179.683 177.584 -0.013 0.000 1.176 779 A CA 1.618 53.729 52.037 0.125 0.000 0.631 779 A CB -0.952 18.212 19.000 0.274 0.000 0.814 779 A HN 0.628 nan 8.150 nan 0.000 0.446 780 Y N 0.693 120.801 120.300 -0.320 0.000 2.114 780 Y HA -0.166 4.384 4.550 -0.000 0.000 0.284 780 Y C 2.376 177.897 175.900 -0.632 0.000 1.143 780 Y CA 1.834 59.420 58.100 -0.858 0.000 1.135 780 Y CB -0.642 37.380 38.460 -0.730 0.000 0.980 780 Y HN 0.053 nan 8.280 nan 0.000 0.499 781 V N 0.898 120.435 119.914 -0.628 0.000 2.407 781 V HA -0.318 3.801 4.120 -0.000 0.000 0.248 781 V C 2.320 178.193 176.094 -0.369 0.000 1.055 781 V CA 2.301 64.259 62.300 -0.570 0.000 1.049 781 V CB -0.628 30.892 31.823 -0.504 0.000 0.662 781 V HN 0.338 nan 8.190 nan 0.000 0.455 782 K N -0.968 119.283 120.400 -0.248 0.000 2.057 782 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 782 K C 2.302 178.825 176.600 -0.129 0.000 1.049 782 K CA 1.717 57.927 56.287 -0.128 0.000 0.931 782 K CB -0.560 31.912 32.500 -0.046 0.000 0.714 782 K HN 0.532 nan 8.250 nan 0.000 0.440 783 C N 1.372 120.560 119.300 -0.187 0.000 2.432 783 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 783 C C 2.700 177.532 174.990 -0.264 0.000 1.249 783 C CA 0.824 59.767 59.018 -0.125 0.000 1.725 783 C CB -0.623 27.037 27.740 -0.134 0.000 2.028 783 C HN 0.448 nan 8.230 nan 0.000 0.477 784 Q N 0.522 120.006 119.800 -0.526 0.000 2.152 784 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 784 Q C 1.749 177.572 176.000 -0.295 0.000 0.985 784 Q CA 1.857 57.316 55.803 -0.574 0.000 0.863 784 Q CB -0.636 27.506 28.738 -0.994 0.000 0.904 784 Q HN 0.713 nan 8.270 nan 0.000 0.422 785 D N 0.420 120.710 120.400 -0.183 0.000 2.144 785 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 785 D C 1.763 178.035 176.300 -0.046 0.000 0.978 785 D CA 0.950 54.905 54.000 -0.075 0.000 0.833 785 D CB -0.001 40.777 40.800 -0.037 0.000 0.961 785 D HN 0.242 nan 8.370 nan 0.000 0.470 786 K N 0.426 120.813 120.400 -0.022 0.000 2.147 786 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 786 K C 2.178 178.816 176.600 0.063 0.000 1.049 786 K CA 0.380 56.725 56.287 0.097 0.000 0.936 786 K CB 0.045 32.682 32.500 0.228 0.000 0.722 786 K HN -0.032 nan 8.250 nan 0.000 0.446 787 V N 0.802 120.554 119.914 -0.269 0.000 2.295 787 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 787 V C 2.087 178.152 176.094 -0.049 0.000 1.049 787 V CA 1.921 63.919 62.300 -0.504 0.000 1.024 787 V CB -0.408 31.014 31.823 -0.669 0.000 0.648 787 V HN 0.257 nan 8.190 nan 0.000 0.447 788 S N -0.823 114.816 115.700 -0.101 0.000 2.383 788 S HA -0.237 4.233 4.470 -0.000 0.000 0.229 788 S C 2.014 176.632 174.600 0.030 0.000 1.030 788 S CA 1.266 59.420 58.200 -0.077 0.000 1.002 788 S CB -0.320 62.796 63.200 -0.140 0.000 0.829 788 S HN 0.575 nan 8.310 nan 0.000 0.467 789 Q N 0.581 120.415 119.800 0.056 0.000 2.030 789 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 789 Q C 2.339 178.430 176.000 0.151 0.000 0.986 789 Q CA 1.078 56.935 55.803 0.089 0.000 0.843 789 Q CB -0.881 27.915 28.738 0.096 0.000 0.904 789 Q HN 0.445 nan 8.270 nan 0.000 0.420 790 L N -0.023 121.357 121.223 0.261 0.000 2.083 790 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 790 L C 2.287 179.404 176.870 0.411 0.000 1.083 790 L CA 1.619 56.686 54.840 0.378 0.000 0.752 790 L CB -0.831 41.569 42.059 0.569 0.000 0.899 790 L HN 0.160 nan 8.230 nan 0.000 0.433 791 Y N -0.255 120.168 120.300 0.204 0.000 2.256 791 Y HA -0.275 4.275 4.550 -0.000 0.000 0.288 791 Y C 2.297 178.073 175.900 -0.206 0.000 1.155 791 Y CA 1.922 59.855 58.100 -0.278 0.000 1.203 791 Y CB -0.281 37.819 38.460 -0.601 0.000 0.980 791 Y HN 0.250 nan 8.280 nan 0.000 0.530 792 M N -0.586 118.979 119.600 -0.058 0.000 2.557 792 M HA -0.117 4.363 4.480 -0.000 0.000 0.259 792 M C 0.466 176.708 176.300 -0.097 0.000 1.086 792 M CA 0.886 56.132 55.300 -0.090 0.000 1.096 792 M CB -0.160 32.429 32.600 -0.018 0.000 1.424 792 M HN 0.073 nan 8.290 nan 0.000 0.488 793 N N 0.809 119.479 118.700 -0.049 0.000 3.044 793 N HA 0.198 4.938 4.740 -0.000 0.000 0.254 793 N C -2.198 173.304 175.510 -0.013 0.000 1.253 793 N CA -2.078 50.966 53.050 -0.010 0.000 0.944 793 N CB 0.772 39.293 38.487 0.056 0.000 1.217 793 N HN -0.148 nan 8.380 nan 0.000 0.498 794 P HA -0.237 nan 4.420 nan 0.000 0.218 794 P C 1.258 178.565 177.300 0.011 0.000 1.154 794 P CA 1.437 64.462 63.100 -0.125 0.000 0.872 794 P CB 0.455 32.053 31.700 -0.169 0.000 0.790 795 K N -0.767 119.642 120.400 0.014 0.000 2.062 795 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 795 K C 1.996 178.637 176.600 0.068 0.000 1.051 795 K CA 1.341 57.649 56.287 0.036 0.000 0.941 795 K CB -0.488 32.026 32.500 0.023 0.000 0.719 795 K HN -0.015 nan 8.250 nan 0.000 0.440 796 A N 1.488 124.357 122.820 0.081 0.000 1.898 796 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 796 A C 1.974 179.636 177.584 0.129 0.000 1.181 796 A CA 1.105 53.196 52.037 0.090 0.000 0.620 796 A CB -1.065 17.991 19.000 0.093 0.000 0.819 796 A HN 0.701 nan 8.150 nan 0.000 0.442 797 W N 1.407 122.698 121.300 -0.015 0.000 2.335 797 W HA -0.170 4.490 4.660 -0.000 0.000 0.311 797 W C 1.482 178.002 176.519 0.001 0.000 1.213 797 W CA 1.983 59.331 57.345 0.005 0.000 1.274 797 W CB -0.452 28.968 29.460 -0.067 0.000 1.148 797 W HN 0.394 nan 8.180 nan 0.000 0.498 798 N N -0.253 118.594 118.700 0.245 0.000 2.396 798 N HA -0.104 4.636 4.740 -0.000 0.000 0.180 798 N C 1.548 177.074 175.510 0.027 0.000 1.028 798 N CA 1.791 54.917 53.050 0.126 0.000 0.893 798 N CB -0.325 38.217 38.487 0.092 0.000 0.967 798 N HN 0.109 nan 8.380 nan 0.000 0.440 799 T N 1.264 115.837 114.554 0.031 0.000 2.812 799 T HA -0.041 4.309 4.350 -0.000 0.000 0.264 799 T C 1.943 176.635 174.700 -0.014 0.000 1.042 799 T CA 0.646 62.762 62.100 0.027 0.000 1.140 799 T CB 0.034 68.924 68.868 0.037 0.000 0.870 799 T HN 0.195 nan 8.240 nan 0.000 0.445 800 M N 0.865 120.422 119.600 -0.072 0.000 2.175 800 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 800 M C 2.130 178.343 176.300 -0.144 0.000 1.063 800 M CA 1.212 56.436 55.300 -0.127 0.000 1.119 800 M CB -0.227 32.248 32.600 -0.209 0.000 1.377 800 M HN 0.060 nan 8.290 nan 0.000 0.415 801 V N 0.805 120.613 119.914 -0.176 0.000 2.287 801 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 801 V C 2.333 178.394 176.094 -0.054 0.000 1.053 801 V CA 1.712 63.938 62.300 -0.124 0.000 1.027 801 V CB -0.808 30.976 31.823 -0.066 0.000 0.646 801 V HN 0.537 nan 8.190 nan 0.000 0.447 802 L N 0.126 121.332 121.223 -0.028 0.000 2.079 802 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 802 L C 2.328 179.179 176.870 -0.031 0.000 1.081 802 L CA 1.954 56.798 54.840 0.006 0.000 0.752 802 L CB -0.779 41.329 42.059 0.083 0.000 0.896 802 L HN 0.237 nan 8.230 nan 0.000 0.433 803 K N -0.763 119.623 120.400 -0.024 0.000 2.148 803 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 803 K C 1.934 178.525 176.600 -0.015 0.000 1.050 803 K CA 1.307 57.586 56.287 -0.013 0.000 0.942 803 K CB -0.171 32.348 32.500 0.032 0.000 0.724 803 K HN 0.509 nan 8.250 nan 0.000 0.446 804 N N 0.846 119.532 118.700 -0.023 0.000 2.109 804 N HA -0.084 4.656 4.740 -0.000 0.000 0.188 804 N C 1.958 177.477 175.510 0.015 0.000 1.034 804 N CA 1.087 54.138 53.050 0.002 0.000 0.846 804 N CB -0.069 38.409 38.487 -0.016 0.000 1.010 804 N HN 0.089 nan 8.380 nan 0.000 0.425 805 I N 1.661 122.227 120.570 -0.006 0.000 2.194 805 I HA -0.257 3.913 4.170 -0.000 0.000 0.246 805 I C 2.444 178.541 176.117 -0.033 0.000 1.093 805 I CA 1.017 62.314 61.300 -0.004 0.000 1.355 805 I CB -0.357 37.634 38.000 -0.016 0.000 1.046 805 I HN 0.098 nan 8.210 nan 0.000 0.413 806 A N 0.402 123.156 122.820 -0.109 0.000 2.067 806 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 806 A C 2.238 179.759 177.584 -0.105 0.000 1.158 806 A CA 1.614 53.516 52.037 -0.226 0.000 0.661 806 A CB -0.482 18.127 19.000 -0.652 0.000 0.801 806 A HN 0.454 nan 8.150 nan 0.000 0.452 807 A N -0.141 122.679 122.820 0.000 0.000 2.387 807 A HA 0.308 4.628 4.320 -0.000 0.000 0.234 807 A C 1.890 179.548 177.584 0.123 0.000 1.253 807 A CA 0.911 53.006 52.037 0.097 0.000 0.894 807 A CB -0.474 18.609 19.000 0.138 0.000 0.963 807 A HN 0.765 nan 8.150 nan 0.000 0.508 808 S N -0.964 114.818 115.700 0.136 0.000 2.561 808 S HA 0.085 4.555 4.470 -0.000 0.000 0.225 808 S C 1.840 176.537 174.600 0.162 0.000 0.977 808 S CA 0.839 59.195 58.200 0.260 0.000 0.926 808 S CB -0.518 62.807 63.200 0.208 0.000 0.769 808 S HN 0.553 nan 8.310 nan 0.000 0.533 809 G N 2.687 111.513 108.800 0.044 0.000 2.505 809 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.220 809 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.220 809 G C 1.329 176.168 174.900 -0.103 0.000 1.145 809 G CA 1.130 46.231 45.100 0.001 0.000 0.761 809 G HN 0.631 nan 8.290 nan 0.000 0.571 810 K N -0.237 119.973 120.400 -0.316 0.000 2.152 810 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 810 K C 1.474 177.784 176.600 -0.485 0.000 1.048 810 K CA 0.972 56.957 56.287 -0.503 0.000 0.933 810 K CB -0.287 31.718 32.500 -0.825 0.000 0.721 810 K HN 0.338 nan 8.250 nan 0.000 0.447 811 F N 1.173 121.153 119.950 0.049 0.000 2.769 811 F HA 0.124 4.651 4.527 -0.000 0.000 0.304 811 F C 0.942 176.783 175.800 0.068 0.000 1.158 811 F CA -0.138 57.894 58.000 0.054 0.000 1.398 811 F CB -0.302 38.721 39.000 0.038 0.000 1.094 811 F HN -0.114 nan 8.300 nan 0.000 0.553 812 S N 0.110 115.894 115.700 0.140 0.000 2.548 812 S HA 0.130 4.600 4.470 -0.000 0.000 0.277 812 S C 1.434 176.121 174.600 0.145 0.000 1.315 812 S CA -0.148 58.134 58.200 0.136 0.000 1.050 812 S CB 0.792 64.045 63.200 0.087 0.000 0.918 812 S HN 0.317 nan 8.310 nan 0.000 0.497 813 S N 3.076 118.883 115.700 0.180 0.000 2.547 813 S HA -0.058 4.412 4.470 -0.000 0.000 0.235 813 S C 0.862 175.531 174.600 0.114 0.000 0.980 813 S CA 0.614 58.948 58.200 0.223 0.000 0.941 813 S CB -0.325 63.074 63.200 0.333 0.000 0.763 813 S HN 0.777 nan 8.310 nan 0.000 0.532 814 D N 1.952 122.400 120.400 0.079 0.000 2.144 814 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 814 D C 2.062 178.375 176.300 0.022 0.000 0.978 814 D CA 0.770 54.793 54.000 0.039 0.000 0.833 814 D CB -0.292 40.527 40.800 0.033 0.000 0.961 814 D HN 0.403 nan 8.370 nan 0.000 0.470 815 R N 0.683 121.201 120.500 0.029 0.000 2.090 815 R HA -0.063 4.277 4.340 -0.000 0.000 0.228 815 R C 1.661 177.968 176.300 0.012 0.000 1.110 815 R CA 1.226 57.331 56.100 0.008 0.000 0.973 815 R CB -0.446 29.848 30.300 -0.010 0.000 0.869 815 R HN 0.051 nan 8.270 nan 0.000 0.440 816 T N 2.156 116.744 114.554 0.058 0.000 2.708 816 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 816 T C 1.897 176.622 174.700 0.042 0.000 1.037 816 T CA 1.252 63.414 62.100 0.103 0.000 1.146 816 T CB -0.075 68.946 68.868 0.255 0.000 0.865 816 T HN 0.118 nan 8.240 nan 0.000 0.435 817 I N 1.329 121.839 120.570 -0.100 0.000 2.315 817 I HA -0.089 4.081 4.170 -0.000 0.000 0.248 817 I C 2.261 178.338 176.117 -0.067 0.000 1.117 817 I CA 1.344 62.537 61.300 -0.178 0.000 1.404 817 I CB -0.843 37.052 38.000 -0.174 0.000 1.071 817 I HN 0.322 nan 8.210 nan 0.000 0.419 818 K N 0.742 121.122 120.400 -0.034 0.000 2.032 818 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 818 K C 1.955 178.517 176.600 -0.064 0.000 1.048 818 K CA 1.471 57.743 56.287 -0.025 0.000 0.927 818 K CB -0.137 32.354 32.500 -0.015 0.000 0.712 818 K HN 0.390 nan 8.250 nan 0.000 0.441 819 E N -0.228 119.918 120.200 -0.089 0.000 2.110 819 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 819 E C 1.890 178.330 176.600 -0.267 0.000 0.988 819 E CA 1.215 57.523 56.400 -0.153 0.000 0.804 819 E CB -0.109 29.494 29.700 -0.161 0.000 0.745 819 E HN 0.333 nan 8.360 nan 0.000 0.458 820 Y N 0.565 120.587 120.300 -0.464 0.000 2.200 820 Y HA -0.196 4.354 4.550 -0.000 0.000 0.290 820 Y C 2.423 177.782 175.900 -0.902 0.000 1.137 820 Y CA 1.182 58.745 58.100 -0.895 0.000 1.163 820 Y CB -0.294 37.295 38.460 -1.452 0.000 0.988 820 Y HN 0.048 nan 8.280 nan 0.000 0.518 821 A N -0.334 122.304 122.820 -0.303 0.000 1.902 821 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 821 A C 2.157 179.757 177.584 0.027 0.000 1.181 821 A CA 1.992 54.070 52.037 0.067 0.000 0.623 821 A CB -0.727 18.367 19.000 0.157 0.000 0.818 821 A HN 0.563 nan 8.150 nan 0.000 0.443 822 Q N -0.802 118.970 119.800 -0.046 0.000 2.137 822 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 822 Q C 0.998 176.970 176.000 -0.045 0.000 0.960 822 Q CA 1.339 57.123 55.803 -0.030 0.000 0.847 822 Q CB -0.012 28.704 28.738 -0.038 0.000 0.915 822 Q HN 0.657 nan 8.270 nan 0.000 0.448 823 N N -0.656 117.980 118.700 -0.106 0.000 2.254 823 N HA 0.169 4.909 4.740 -0.000 0.000 0.190 823 N C 1.051 176.514 175.510 -0.078 0.000 1.107 823 N CA 0.432 53.424 53.050 -0.096 0.000 0.869 823 N CB 0.997 39.401 38.487 -0.138 0.000 0.983 823 N HN 0.338 nan 8.380 nan 0.000 0.487 824 I N -1.791 118.712 120.570 -0.112 0.000 3.990 824 I HA 0.093 4.262 4.170 -0.000 0.000 0.275 824 I C 1.060 177.328 176.117 0.252 0.000 1.157 824 I CA -0.044 61.253 61.300 -0.005 0.000 1.338 824 I CB 0.219 38.064 38.000 -0.258 0.000 1.588 824 I HN -0.019 nan 8.210 nan 0.000 0.441 825 W N 1.596 122.988 121.300 0.154 0.000 2.737 825 W HA 0.217 4.877 4.660 -0.000 0.000 0.262 825 W C 0.803 177.356 176.519 0.057 0.000 1.282 825 W CA 0.175 57.590 57.345 0.117 0.000 1.386 825 W CB -1.032 28.484 29.460 0.093 0.000 1.099 825 W HN 0.299 nan 8.180 nan 0.000 0.621 826 N N 0.862 119.705 118.700 0.238 0.000 2.727 826 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 826 N C -0.734 174.853 175.510 0.129 0.000 1.040 826 N CA 0.714 53.842 53.050 0.131 0.000 0.712 826 N CB -0.921 37.615 38.487 0.081 0.000 0.912 826 N HN -0.011 nan 8.380 nan 0.000 0.545 827 V N -2.284 117.730 119.914 0.167 0.000 2.960 827 V HA 0.792 4.912 4.120 -0.000 0.000 0.315 827 V C -0.072 176.080 176.094 0.097 0.000 1.087 827 V CA -0.783 61.589 62.300 0.120 0.000 0.982 827 V CB 2.230 34.135 31.823 0.137 0.000 1.039 827 V HN 0.199 nan 8.190 nan 0.000 0.437 828 E N 2.475 122.713 120.200 0.063 0.000 2.288 828 E HA 0.581 4.931 4.350 -0.000 0.000 0.268 828 E C -2.375 174.258 176.600 0.055 0.000 0.885 828 E CA -1.863 54.571 56.400 0.057 0.000 0.767 828 E CB 2.797 32.524 29.700 0.046 0.000 1.220 828 E HN 0.804 nan 8.360 nan 0.000 0.427 829 P HA 0.126 nan 4.420 nan 0.000 0.335 829 P C -0.719 176.624 177.300 0.071 0.000 1.379 829 P CA -0.286 62.850 63.100 0.060 0.000 0.794 829 P CB 0.353 32.084 31.700 0.052 0.000 1.849 830 S N -0.771 114.969 115.700 0.067 0.000 2.486 830 S HA 0.227 4.696 4.470 -0.000 0.000 0.184 830 S C -1.246 173.379 174.600 0.042 0.000 0.774 830 S CA -0.564 57.676 58.200 0.066 0.000 0.995 830 S CB -0.086 63.173 63.200 0.098 0.000 1.427 830 S HN 0.308 nan 8.310 nan 0.000 0.398 831 D N 0.000 120.420 120.400 0.033 0.000 6.856 831 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 831 D CA 0.000 54.014 54.000 0.023 0.000 0.868 831 D CB 0.000 40.815 40.800 0.025 0.000 0.688 831 D HN 0.000 nan 8.370 nan 0.000 0.683