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 2zb2_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 FXXXXXXXGD YIQAVLDRNL DATA SEQUENCE AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF KASKFXXXXG DATA SEQUENCE AGTVFDAFPD 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 QNIWNVEPS 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 0.000 176.623 176.600 0.038 0.000 1.382 22 E CA 0.000 56.416 56.400 0.027 0.000 0.976 22 E CB 0.000 29.715 29.700 0.025 0.000 0.812 23 N N 1.446 120.173 118.700 0.044 0.000 2.461 23 N HA 0.001 4.749 4.740 0.014 0.000 0.188 23 N C 1.828 177.377 175.510 0.064 0.000 1.134 23 N CA 1.149 54.239 53.050 0.068 0.000 0.878 23 N CB 0.708 39.243 38.487 0.080 0.000 0.972 23 N HN 0.372 nan 8.380 nan 0.000 0.456 24 V N -0.926 119.014 119.914 0.044 0.000 2.287 24 V HA -0.153 3.976 4.120 0.014 0.000 0.248 24 V C 2.318 178.439 176.094 0.044 0.000 1.053 24 V CA 1.947 64.270 62.300 0.039 0.000 1.027 24 V CB -1.328 30.513 31.823 0.030 0.000 0.646 24 V HN 0.156 nan 8.190 nan 0.000 0.447 25 A N -0.577 122.268 122.820 0.042 0.000 1.969 25 A HA -0.121 4.207 4.320 0.014 0.000 0.218 25 A C 2.288 179.907 177.584 0.058 0.000 1.169 25 A CA 1.554 53.615 52.037 0.040 0.000 0.635 25 A CB -0.547 18.472 19.000 0.032 0.000 0.810 25 A HN 0.554 nan 8.150 nan 0.000 0.445 26 E N 0.057 120.299 120.200 0.071 0.000 2.107 26 E HA -0.045 4.314 4.350 0.014 0.000 0.191 26 E C 1.969 178.645 176.600 0.126 0.000 0.982 26 E CA 0.636 57.089 56.400 0.088 0.000 0.809 26 E CB -0.210 29.543 29.700 0.090 0.000 0.756 26 E HN 0.657 nan 8.360 nan 0.000 0.459 27 L N 0.404 121.710 121.223 0.138 0.000 2.093 27 L HA -0.158 4.190 4.340 0.014 0.000 0.208 27 L C 2.489 179.471 176.870 0.187 0.000 1.085 27 L CA 1.101 56.050 54.840 0.182 0.000 0.755 27 L CB -0.174 41.968 42.059 0.139 0.000 0.904 27 L HN 0.002 nan 8.230 nan 0.000 0.435 28 K N -0.411 120.059 120.400 0.116 0.000 2.025 28 K HA -0.147 4.181 4.320 0.014 0.000 0.207 28 K C 2.231 178.929 176.600 0.164 0.000 1.049 28 K CA 0.831 57.175 56.287 0.094 0.000 0.933 28 K CB -0.048 32.466 32.500 0.022 0.000 0.714 28 K HN 0.007 nan 8.250 nan 0.000 0.438 29 K N 0.926 121.402 120.400 0.126 0.000 2.057 29 K HA -0.088 4.240 4.320 0.014 0.000 0.207 29 K C 2.297 178.987 176.600 0.150 0.000 1.049 29 K CA 1.101 57.459 56.287 0.117 0.000 0.931 29 K CB -0.276 32.270 32.500 0.077 0.000 0.714 29 K HN 0.006 nan 8.250 nan 0.000 0.440 30 S N 0.202 116.005 115.700 0.171 0.000 2.368 30 S HA -0.152 4.327 4.470 0.014 0.000 0.225 30 S C 1.893 176.658 174.600 0.273 0.000 1.030 30 S CA 1.087 59.392 58.200 0.175 0.000 0.999 30 S CB -0.393 62.936 63.200 0.214 0.000 0.844 30 S HN 0.355 nan 8.310 nan 0.000 0.459 31 F N 3.138 123.196 119.950 0.179 0.000 2.095 31 F HA -0.118 4.417 4.527 0.013 0.000 0.298 31 F C 2.117 178.027 175.800 0.184 0.000 1.104 31 F CA 2.002 60.124 58.000 0.203 0.000 1.232 31 F CB -0.611 38.477 39.000 0.146 0.000 0.987 31 F HN 0.259 nan 8.300 nan 0.000 0.475 32 N N 0.435 119.385 118.700 0.416 0.000 2.166 32 N HA -0.182 4.567 4.740 0.014 0.000 0.186 32 N C 2.008 177.600 175.510 0.137 0.000 1.019 32 N CA 1.187 54.391 53.050 0.256 0.000 0.856 32 N CB -0.510 38.090 38.487 0.190 0.000 0.993 32 N HN 0.302 nan 8.380 nan 0.000 0.426 33 R N 0.131 120.709 120.500 0.130 0.000 2.091 33 R HA -0.082 4.266 4.340 0.014 0.000 0.238 33 R C 1.918 178.306 176.300 0.147 0.000 1.136 33 R CA 1.514 57.706 56.100 0.153 0.000 0.959 33 R CB -0.173 30.151 30.300 0.039 0.000 0.856 33 R HN 0.456 nan 8.270 nan 0.000 0.437 34 H N -1.251 117.866 119.070 0.080 0.000 2.372 34 H HA -0.065 4.500 4.556 0.014 0.000 0.301 34 H C 1.734 176.990 175.328 -0.120 0.000 1.065 34 H CA 1.166 57.189 56.048 -0.041 0.000 1.364 34 H CB 0.102 29.791 29.762 -0.121 0.000 1.406 34 H HN 0.081 nan 8.280 nan 0.000 0.521 35 L N 0.223 121.422 121.223 -0.040 0.000 2.042 35 L HA -0.215 4.133 4.340 0.014 0.000 0.210 35 L C 2.257 179.120 176.870 -0.011 0.000 1.076 35 L CA 1.817 56.611 54.840 -0.077 0.000 0.749 35 L CB -0.670 41.367 42.059 -0.036 0.000 0.893 35 L HN 0.422 nan 8.230 nan 0.000 0.432 36 H N -1.516 117.498 119.070 -0.094 0.000 2.260 36 H HA -0.140 4.424 4.556 0.013 0.000 0.304 36 H C 2.119 177.324 175.328 -0.204 0.000 1.059 36 H CA 2.349 58.277 56.048 -0.201 0.000 1.305 36 H CB -0.148 29.404 29.762 -0.350 0.000 1.388 36 H HN 0.345 nan 8.280 nan 0.000 0.496 37 F N 0.607 120.534 119.950 -0.039 0.000 2.186 37 F HA -0.102 4.434 4.527 0.014 0.000 0.299 37 F C 2.771 178.494 175.800 -0.128 0.000 1.090 37 F CA 1.454 59.391 58.000 -0.106 0.000 1.307 37 F CB -0.397 38.578 39.000 -0.043 0.000 1.019 37 F HN 0.179 nan 8.300 nan 0.000 0.489 38 T N -0.703 113.890 114.554 0.066 0.000 3.031 38 T HA 0.096 4.454 4.350 0.014 0.000 0.254 38 T C 1.685 176.282 174.700 -0.172 0.000 1.060 38 T CA 0.579 62.628 62.100 -0.085 0.000 1.135 38 T CB 0.127 68.891 68.868 -0.172 0.000 0.896 38 T HN -0.028 nan 8.240 nan 0.000 0.472 39 L N 0.963 122.098 121.223 -0.147 0.000 2.638 39 L HA 0.306 4.654 4.340 0.014 0.000 0.232 39 L C 0.612 177.400 176.870 -0.135 0.000 1.099 39 L CA 0.401 55.153 54.840 -0.147 0.000 0.883 39 L CB -0.394 41.591 42.059 -0.124 0.000 1.136 39 L HN 0.054 nan 8.230 nan 0.000 0.492 40 V N 0.537 120.352 119.914 -0.166 0.000 5.820 40 V HA -0.277 3.852 4.120 0.014 0.000 0.300 40 V C 0.399 176.401 176.094 -0.154 0.000 0.585 40 V CA 1.000 63.173 62.300 -0.211 0.000 0.629 40 V CB -2.012 29.713 31.823 -0.163 0.000 0.291 40 V HN 0.393 nan 8.190 nan 0.000 0.887 41 K N 0.852 121.180 120.400 -0.120 0.000 2.469 41 K HA 0.794 5.123 4.320 0.014 0.000 0.268 41 K C -0.604 176.009 176.600 0.021 0.000 1.027 41 K CA -0.324 55.929 56.287 -0.057 0.000 0.893 41 K CB 2.616 35.069 32.500 -0.077 0.000 1.460 41 K HN 0.502 nan 8.250 nan 0.000 0.449 42 D N -1.091 119.335 120.400 0.044 0.000 2.559 42 D HA 0.309 4.957 4.640 0.014 0.000 0.250 42 D C 0.462 176.838 176.300 0.126 0.000 1.135 42 D CA -0.643 53.414 54.000 0.095 0.000 0.955 42 D CB 0.876 41.720 40.800 0.073 0.000 1.442 42 D HN 0.112 nan 8.370 nan 0.000 0.471 43 R N 0.163 120.763 120.500 0.167 0.000 2.355 43 R HA -0.043 4.306 4.340 0.014 0.000 0.219 43 R C 0.315 176.718 176.300 0.170 0.000 1.107 43 R CA 0.651 56.887 56.100 0.226 0.000 1.021 43 R CB -0.926 29.470 30.300 0.161 0.000 0.852 43 R HN 0.487 nan 8.270 nan 0.000 0.475 44 N N -0.903 117.858 118.700 0.101 0.000 2.454 44 N HA -0.058 4.691 4.740 0.014 0.000 0.177 44 N C 1.172 176.710 175.510 0.046 0.000 1.049 44 N CA 0.665 53.757 53.050 0.069 0.000 0.887 44 N CB 0.563 39.077 38.487 0.044 0.000 1.095 44 N HN 0.106 nan 8.380 nan 0.000 0.446 45 V N -2.456 117.472 119.914 0.025 0.000 3.214 45 V HA 0.652 4.780 4.120 0.014 0.000 0.330 45 V C 0.239 176.304 176.094 -0.049 0.000 1.403 45 V CA -0.732 61.564 62.300 -0.007 0.000 1.143 45 V CB -0.346 31.468 31.823 -0.013 0.000 1.098 45 V HN 0.063 nan 8.190 nan 0.000 0.463 46 A N 1.743 124.521 122.820 -0.070 0.000 2.328 46 A HA 0.685 5.013 4.320 0.014 0.000 0.284 46 A C 0.730 178.106 177.584 -0.347 0.000 1.160 46 A CA 0.426 52.311 52.037 -0.252 0.000 0.818 46 A CB 0.276 19.055 19.000 -0.369 0.000 1.087 46 A HN 0.786 nan 8.150 nan 0.000 0.504 47 T N -0.150 114.205 114.554 -0.331 0.000 2.816 47 T HA 0.309 4.667 4.350 0.014 0.000 0.282 47 T C 1.259 175.773 174.700 -0.311 0.000 0.993 47 T CA 0.375 62.338 62.100 -0.229 0.000 0.994 47 T CB 0.570 69.352 68.868 -0.144 0.000 1.025 47 T HN 0.464 nan 8.240 nan 0.000 0.529 48 T N 0.200 114.713 114.554 -0.067 0.000 2.788 48 T HA -0.099 4.259 4.350 0.014 0.000 0.268 48 T C 2.003 176.732 174.700 0.047 0.000 1.044 48 T CA 1.482 63.643 62.100 0.103 0.000 1.139 48 T CB -0.341 68.588 68.868 0.102 0.000 0.867 48 T HN 0.681 nan 8.240 nan 0.000 0.454 49 R N 0.982 121.443 120.500 -0.064 0.000 2.081 49 R HA -0.130 4.218 4.340 0.014 0.000 0.235 49 R C 1.965 178.223 176.300 -0.069 0.000 1.131 49 R CA 1.709 57.736 56.100 -0.121 0.000 0.960 49 R CB -0.246 29.929 30.300 -0.209 0.000 0.856 49 R HN 0.290 nan 8.270 nan 0.000 0.436 50 D N -0.419 119.924 120.400 -0.095 0.000 2.123 50 D HA -0.199 4.449 4.640 0.014 0.000 0.196 50 D C 1.752 178.032 176.300 -0.033 0.000 0.992 50 D CA 1.379 55.335 54.000 -0.073 0.000 0.833 50 D CB -0.316 40.319 40.800 -0.276 0.000 0.954 50 D HN 0.299 nan 8.370 nan 0.000 0.455 51 Y N -0.002 120.367 120.300 0.115 0.000 2.181 51 Y HA -0.209 4.348 4.550 0.011 0.000 0.288 51 Y C 2.323 178.343 175.900 0.201 0.000 1.146 51 Y CA 0.351 58.582 58.100 0.218 0.000 1.164 51 Y CB -1.247 37.416 38.460 0.338 0.000 0.982 51 Y HN 0.096 nan 8.280 nan 0.000 0.515 52 Y N -0.266 120.149 120.300 0.190 0.000 2.097 52 Y HA -0.294 4.265 4.550 0.015 0.000 0.282 52 Y C 2.077 178.034 175.900 0.095 0.000 1.152 52 Y CA 1.245 59.397 58.100 0.086 0.000 1.136 52 Y CB -1.129 37.260 38.460 -0.118 0.000 0.975 52 Y HN 0.001 nan 8.280 nan 0.000 0.498 53 F N 0.484 120.279 119.950 -0.259 0.000 2.095 53 F HA -0.201 4.336 4.527 0.018 0.000 0.298 53 F C 2.731 178.366 175.800 -0.276 0.000 1.104 53 F CA 1.404 59.196 58.000 -0.348 0.000 1.232 53 F CB -1.483 37.438 39.000 -0.133 0.000 0.987 53 F HN 0.211 nan 8.300 nan 0.000 0.475 54 A N -0.367 122.400 122.820 -0.089 0.000 1.933 54 A HA -0.158 4.171 4.320 0.014 0.000 0.218 54 A C 2.152 179.612 177.584 -0.206 0.000 1.175 54 A CA 1.618 53.468 52.037 -0.312 0.000 0.628 54 A CB -1.070 17.489 19.000 -0.735 0.000 0.814 54 A HN 0.352 nan 8.150 nan 0.000 0.444 55 L N -0.348 120.884 121.223 0.015 0.000 2.056 55 L HA 0.045 4.393 4.340 0.014 0.000 0.207 55 L C 2.605 179.531 176.870 0.094 0.000 1.078 55 L CA 2.094 57.088 54.840 0.257 0.000 0.749 55 L CB -0.927 41.363 42.059 0.384 0.000 0.901 55 L HN 0.316 nan 8.230 nan 0.000 0.433 56 A N -1.234 121.521 122.820 -0.108 0.000 1.908 56 A HA -0.257 4.072 4.320 0.014 0.000 0.218 56 A C 2.280 179.651 177.584 -0.355 0.000 1.181 56 A CA 1.834 53.750 52.037 -0.202 0.000 0.627 56 A CB -1.060 17.585 19.000 -0.592 0.000 0.818 56 A HN 0.689 nan 8.150 nan 0.000 0.445 57 H N -0.719 118.079 119.070 -0.452 0.000 2.387 57 H HA -0.086 4.478 4.556 0.013 0.000 0.299 57 H C 2.313 177.427 175.328 -0.356 0.000 1.090 57 H CA 1.860 57.551 56.048 -0.595 0.000 1.332 57 H CB -0.215 28.898 29.762 -1.081 0.000 1.386 57 H HN 0.493 nan 8.280 nan 0.000 0.516 58 T N 0.546 115.086 114.554 -0.022 0.000 2.708 58 T HA -0.101 4.257 4.350 0.014 0.000 0.266 58 T C 2.402 177.293 174.700 0.318 0.000 1.037 58 T CA 1.256 63.524 62.100 0.280 0.000 1.146 58 T CB -0.424 68.660 68.868 0.360 0.000 0.865 58 T HN 0.075 nan 8.240 nan 0.000 0.435 59 V N 1.370 121.439 119.914 0.258 0.000 2.358 59 V HA -0.108 4.020 4.120 0.014 0.000 0.246 59 V C 2.604 178.893 176.094 0.325 0.000 1.047 59 V CA 1.544 64.020 62.300 0.293 0.000 1.035 59 V CB -0.607 31.384 31.823 0.280 0.000 0.658 59 V HN 0.351 nan 8.190 nan 0.000 0.452 60 R N 0.098 120.730 120.500 0.220 0.000 2.127 60 R HA -0.202 4.146 4.340 0.014 0.000 0.238 60 R C 1.931 178.324 176.300 0.155 0.000 1.134 60 R CA 1.847 58.053 56.100 0.177 0.000 0.975 60 R CB -0.328 29.844 30.300 -0.214 0.000 0.865 60 R HN 0.485 nan 8.270 nan 0.000 0.447 61 D N -0.270 120.218 120.400 0.147 0.000 2.182 61 D HA -0.143 4.505 4.640 0.014 0.000 0.201 61 D C 1.361 177.693 176.300 0.053 0.000 0.986 61 D CA 1.257 55.316 54.000 0.099 0.000 0.847 61 D CB -0.266 40.587 40.800 0.088 0.000 0.942 61 D HN 0.458 nan 8.370 nan 0.000 0.467 62 H N -0.555 118.576 119.070 0.101 0.000 2.559 62 H HA 0.122 4.686 4.556 0.014 0.000 0.273 62 H C 1.879 177.249 175.328 0.070 0.000 1.000 62 H CA 0.352 56.447 56.048 0.078 0.000 1.195 62 H CB 0.061 29.864 29.762 0.068 0.000 1.368 62 H HN 0.130 nan 8.280 nan 0.000 0.592 63 L N -0.356 120.975 121.223 0.181 0.000 2.298 63 L HA -0.055 4.294 4.340 0.014 0.000 0.209 63 L C 2.301 179.287 176.870 0.193 0.000 1.084 63 L CA 0.356 55.276 54.840 0.133 0.000 0.816 63 L CB -0.102 42.005 42.059 0.079 0.000 0.967 63 L HN 0.266 nan 8.230 nan 0.000 0.460 64 V N -1.782 118.256 119.914 0.206 0.000 2.252 64 V HA -0.206 3.922 4.120 0.014 0.000 0.249 64 V C 2.334 178.529 176.094 0.167 0.000 1.056 64 V CA 2.177 64.615 62.300 0.231 0.000 1.022 64 V CB -1.908 30.000 31.823 0.141 0.000 0.641 64 V HN 0.381 nan 8.190 nan 0.000 0.445 65 G N 0.126 108.985 108.800 0.099 0.000 2.514 65 G HA2 -0.292 3.676 3.960 0.014 0.000 0.217 65 G HA3 -0.292 3.676 3.960 0.014 0.000 0.217 65 G C 1.778 176.722 174.900 0.073 0.000 1.198 65 G CA 1.181 46.318 45.100 0.062 0.000 0.780 65 G HN 0.535 nan 8.290 nan 0.000 0.565 66 R N -1.540 119.012 120.500 0.087 0.000 2.148 66 R HA -0.045 4.303 4.340 0.014 0.000 0.227 66 R C 2.215 178.600 176.300 0.141 0.000 1.103 66 R CA 0.890 57.033 56.100 0.071 0.000 0.983 66 R CB -0.264 30.062 30.300 0.043 0.000 0.874 66 R HN 0.525 nan 8.270 nan 0.000 0.451 67 W N 1.175 122.452 121.300 -0.038 0.000 2.409 67 W HA -0.007 4.662 4.660 0.015 0.000 0.299 67 W C 1.498 177.982 176.519 -0.058 0.000 1.203 67 W CA 0.751 58.067 57.345 -0.048 0.000 1.298 67 W CB -0.384 29.066 29.460 -0.017 0.000 1.127 67 W HN -0.054 nan 8.180 nan 0.000 0.528 68 I N -0.079 120.539 120.570 0.080 0.000 2.252 68 I HA -0.278 3.901 4.170 0.014 0.000 0.245 68 I C 2.697 178.787 176.117 -0.044 0.000 1.102 68 I CA 1.400 62.657 61.300 -0.071 0.000 1.385 68 I CB -0.637 37.331 38.000 -0.052 0.000 1.064 68 I HN -0.122 nan 8.210 nan 0.000 0.414 69 R N 0.538 121.034 120.500 -0.006 0.000 2.070 69 R HA -0.158 4.190 4.340 0.014 0.000 0.233 69 R C 2.396 178.661 176.300 -0.059 0.000 1.137 69 R CA 2.269 58.357 56.100 -0.020 0.000 0.945 69 R CB -0.357 29.933 30.300 -0.016 0.000 0.845 69 R HN 0.240 nan 8.270 nan 0.000 0.430 70 T N 1.200 115.699 114.554 -0.092 0.000 2.624 70 T HA -0.199 4.159 4.350 0.014 0.000 0.268 70 T C 1.790 176.166 174.700 -0.540 0.000 1.041 70 T CA 1.497 63.427 62.100 -0.284 0.000 1.159 70 T CB -0.234 68.503 68.868 -0.218 0.000 0.863 70 T HN 0.286 nan 8.240 nan 0.000 0.434 71 Q N 0.620 120.248 119.800 -0.287 0.000 2.084 71 Q HA -0.110 4.239 4.340 0.014 0.000 0.202 71 Q C 2.375 178.357 176.000 -0.028 0.000 0.978 71 Q CA 1.412 57.119 55.803 -0.159 0.000 0.844 71 Q CB -0.624 28.083 28.738 -0.052 0.000 0.898 71 Q HN 0.505 nan 8.270 nan 0.000 0.426 72 Q N 0.133 119.920 119.800 -0.021 0.000 2.124 72 Q HA -0.188 4.161 4.340 0.014 0.000 0.202 72 Q C 1.870 177.967 176.000 0.161 0.000 0.977 72 Q CA 1.899 57.743 55.803 0.068 0.000 0.850 72 Q CB -0.426 28.334 28.738 0.036 0.000 0.901 72 Q HN 0.543 nan 8.270 nan 0.000 0.429 73 H N -0.897 118.160 119.070 -0.023 0.000 2.387 73 H HA -0.144 4.420 4.556 0.014 0.000 0.299 73 H C 0.994 176.438 175.328 0.192 0.000 1.090 73 H CA 1.941 58.010 56.048 0.035 0.000 1.332 73 H CB -0.246 29.487 29.762 -0.049 0.000 1.386 73 H HN 0.340 nan 8.280 nan 0.000 0.516 74 Y N -1.121 119.194 120.300 0.025 0.000 2.293 74 Y HA -0.155 4.403 4.550 0.014 0.000 0.291 74 Y C 2.337 178.252 175.900 0.025 0.000 1.137 74 Y CA 0.915 58.996 58.100 -0.030 0.000 1.202 74 Y CB -1.291 37.227 38.460 0.097 0.000 0.990 74 Y HN 0.358 nan 8.280 nan 0.000 0.537 75 Y N 1.086 121.473 120.300 0.145 0.000 2.220 75 Y HA -0.158 4.401 4.550 0.014 0.000 0.291 75 Y C 1.823 177.756 175.900 0.055 0.000 1.129 75 Y CA 1.733 59.888 58.100 0.092 0.000 1.161 75 Y CB -0.194 38.315 38.460 0.080 0.000 0.997 75 Y HN 0.015 nan 8.280 nan 0.000 0.522 76 D N -0.047 120.403 120.400 0.083 0.000 2.137 76 D HA -0.129 4.519 4.640 0.014 0.000 0.202 76 D C 1.762 178.029 176.300 -0.056 0.000 0.970 76 D CA 1.249 55.245 54.000 -0.007 0.000 0.837 76 D CB -0.201 40.668 40.800 0.115 0.000 0.981 76 D HN 0.335 nan 8.370 nan 0.000 0.475 77 K N 0.195 120.533 120.400 -0.103 0.000 2.400 77 K HA 0.039 4.367 4.320 0.014 0.000 0.194 77 K C 0.006 176.534 176.600 -0.119 0.000 1.033 77 K CA 0.066 56.279 56.287 -0.124 0.000 1.021 77 K CB 0.315 32.648 32.500 -0.279 0.000 0.808 77 K HN -0.043 nan 8.250 nan 0.000 0.505 78 C N 2.623 121.846 119.300 -0.128 0.000 3.563 78 C HA -0.089 4.379 4.460 0.014 0.000 0.284 78 C C -2.155 172.674 174.990 -0.268 0.000 1.356 78 C CA -0.470 58.443 59.018 -0.176 0.000 2.166 78 C CB -1.872 25.772 27.740 -0.161 0.000 1.399 78 C HN 0.463 nan 8.230 nan 0.000 0.583 79 P HA 0.234 nan 4.420 nan 0.000 0.279 79 P C -0.294 176.839 177.300 -0.279 0.000 1.252 79 P CA -0.171 62.786 63.100 -0.238 0.000 0.811 79 P CB 0.660 32.236 31.700 -0.206 0.000 1.035 80 K N 2.305 122.552 120.400 -0.254 0.000 2.484 80 K HA 0.008 4.337 4.320 0.014 0.000 0.280 80 K C 0.208 176.644 176.600 -0.273 0.000 1.013 80 K CA 0.117 56.254 56.287 -0.251 0.000 1.029 80 K CB 0.274 32.664 32.500 -0.184 0.000 0.902 80 K HN 0.372 nan 8.250 nan 0.000 0.481 81 R N 2.366 122.687 120.500 -0.298 0.000 2.486 81 R HA 0.323 4.672 4.340 0.014 0.000 0.286 81 R C -0.716 175.271 176.300 -0.522 0.000 0.999 81 R CA -0.909 54.951 56.100 -0.400 0.000 0.993 81 R CB 1.482 31.535 30.300 -0.413 0.000 1.084 81 R HN 0.270 nan 8.270 nan 0.000 0.487 82 V N 3.310 122.864 119.914 -0.600 0.000 2.435 82 V HA 0.284 4.413 4.120 0.014 0.000 0.290 82 V C -1.074 174.664 176.094 -0.593 0.000 1.030 82 V CA -0.728 61.158 62.300 -0.690 0.000 0.881 82 V CB 1.064 32.355 31.823 -0.887 0.000 0.983 82 V HN 0.590 nan 8.190 nan 0.000 0.445 83 Y N 3.691 123.906 120.300 -0.142 0.000 2.388 83 Y HA 0.395 4.954 4.550 0.014 0.000 0.328 83 Y C -0.417 175.579 175.900 0.160 0.000 0.963 83 Y CA -0.891 57.266 58.100 0.096 0.000 1.240 83 Y CB 1.159 39.626 38.460 0.011 0.000 1.118 83 Y HN 0.645 nan 8.280 nan 0.000 0.484 84 Y N 4.902 125.380 120.300 0.297 0.000 2.600 84 Y HA 0.310 4.868 4.550 0.014 0.000 0.351 84 Y C -0.630 175.556 175.900 0.476 0.000 1.042 84 Y CA -0.948 57.356 58.100 0.340 0.000 1.333 84 Y CB 0.127 38.798 38.460 0.351 0.000 1.172 84 Y HN 0.544 nan 8.280 nan 0.000 0.517 85 L N 5.301 126.605 121.223 0.134 0.000 2.278 85 L HA 0.441 4.789 4.340 0.014 0.000 0.287 85 L C -0.385 176.539 176.870 0.090 0.000 1.072 85 L CA 0.298 55.273 54.840 0.225 0.000 0.819 85 L CB 0.432 42.593 42.059 0.171 0.000 1.176 85 L HN 0.520 nan 8.230 nan 0.000 0.435 86 S N 4.476 120.346 115.700 0.284 0.000 2.546 86 S HA 0.446 4.925 4.470 0.014 0.000 0.274 86 S C 0.387 175.184 174.600 0.328 0.000 1.121 86 S CA -0.781 57.513 58.200 0.157 0.000 0.887 86 S CB 1.069 64.174 63.200 -0.159 0.000 1.094 86 S HN 0.586 nan 8.310 nan 0.000 0.474 87 L N 2.362 123.776 121.223 0.317 0.000 2.554 87 L HA 0.348 4.697 4.340 0.014 0.000 0.226 87 L C 0.365 177.498 176.870 0.440 0.000 1.137 87 L CA 1.236 56.321 54.840 0.407 0.000 0.863 87 L CB -0.918 41.380 42.059 0.399 0.000 0.985 87 L HN 0.711 nan 8.230 nan 0.000 0.451 88 E N -1.218 119.129 120.200 0.245 0.000 2.340 88 E HA 0.411 4.770 4.350 0.014 0.000 0.273 88 E C -1.509 175.019 176.600 -0.119 0.000 0.891 88 E CA -0.477 56.032 56.400 0.181 0.000 0.757 88 E CB 2.241 31.982 29.700 0.069 0.000 1.231 88 E HN -0.168 nan 8.360 nan 0.000 0.439 89 F N 1.880 121.945 119.950 0.192 0.000 3.094 89 F HA 0.150 4.685 4.527 0.013 0.000 0.385 89 F C -0.942 174.959 175.800 0.169 0.000 1.231 89 F CA -0.649 57.453 58.000 0.170 0.000 1.207 89 F CB 0.811 39.903 39.000 0.154 0.000 1.703 89 F HN 0.482 nan 8.300 nan 0.000 0.610 90 Y N 4.731 125.085 120.300 0.090 0.000 2.532 90 Y HA 0.138 4.697 4.550 0.015 0.000 0.337 90 Y C 1.220 177.135 175.900 0.025 0.000 1.274 90 Y CA -0.591 57.525 58.100 0.025 0.000 1.817 90 Y CB 0.180 38.638 38.460 -0.003 0.000 1.769 90 Y HN 0.498 nan 8.280 nan 0.000 0.447 91 M N 0.656 120.344 119.600 0.147 0.000 2.288 91 M HA 0.090 4.579 4.480 0.014 0.000 0.266 91 M C 1.571 177.812 176.300 -0.098 0.000 1.072 91 M CA 1.121 56.434 55.300 0.022 0.000 1.132 91 M CB -1.162 31.449 32.600 0.018 0.000 1.386 91 M HN 0.620 nan 8.290 nan 0.000 0.432 92 G N 1.058 109.779 108.800 -0.131 0.000 2.593 92 G HA2 -0.249 3.719 3.960 0.014 0.000 0.237 92 G HA3 -0.249 3.719 3.960 0.014 0.000 0.237 92 G C -0.371 174.450 174.900 -0.132 0.000 1.312 92 G CA -0.463 44.531 45.100 -0.177 0.000 0.896 92 G HN 0.428 nan 8.290 nan 0.000 0.574 93 R N -0.670 119.742 120.500 -0.146 0.000 2.500 93 R HA 0.582 4.931 4.340 0.014 0.000 0.275 93 R C 1.144 177.308 176.300 -0.226 0.000 1.051 93 R CA 0.212 56.243 56.100 -0.115 0.000 1.088 93 R CB 0.858 31.107 30.300 -0.085 0.000 1.063 93 R HN 0.538 nan 8.270 nan 0.000 0.511 94 T N 1.359 115.704 114.554 -0.349 0.000 3.034 94 T HA 0.051 4.409 4.350 0.014 0.000 0.248 94 T C 1.737 176.004 174.700 -0.722 0.000 1.040 94 T CA -0.136 61.546 62.100 -0.697 0.000 1.107 94 T CB 0.100 68.162 68.868 -1.344 0.000 0.932 94 T HN 0.388 nan 8.240 nan 0.000 0.474 95 L N 1.316 122.284 121.223 -0.426 0.000 1.952 95 L HA -0.302 4.047 4.340 0.014 0.000 0.231 95 L C 2.763 179.573 176.870 -0.101 0.000 1.088 95 L CA 1.959 56.754 54.840 -0.076 0.000 0.802 95 L CB -0.439 41.816 42.059 0.327 0.000 0.903 95 L HN 0.303 nan 8.230 nan 0.000 0.439 96 Q N -0.511 119.257 119.800 -0.053 0.000 2.112 96 Q HA -0.298 4.051 4.340 0.014 0.000 0.206 96 Q C 2.036 177.961 176.000 -0.125 0.000 0.987 96 Q CA 2.192 57.956 55.803 -0.065 0.000 0.858 96 Q CB -0.237 28.461 28.738 -0.067 0.000 0.905 96 Q HN 0.533 nan 8.270 nan 0.000 0.420 97 N N -0.857 117.725 118.700 -0.196 0.000 2.149 97 N HA -0.146 4.602 4.740 0.014 0.000 0.188 97 N C 1.396 176.792 175.510 -0.189 0.000 1.019 97 N CA 1.810 54.731 53.050 -0.215 0.000 0.857 97 N CB 0.032 38.355 38.487 -0.273 0.000 0.997 97 N HN 0.203 nan 8.380 nan 0.000 0.426 98 T N 1.328 115.736 114.554 -0.244 0.000 2.777 98 T HA -0.007 4.352 4.350 0.014 0.000 0.266 98 T C 2.099 176.741 174.700 -0.097 0.000 1.040 98 T CA 0.962 62.941 62.100 -0.202 0.000 1.141 98 T CB -0.045 68.641 68.868 -0.303 0.000 0.868 98 T HN 0.254 nan 8.240 nan 0.000 0.444 99 M N 0.421 119.979 119.600 -0.069 0.000 2.108 99 M HA -0.039 4.450 4.480 0.014 0.000 0.261 99 M C 2.237 178.518 176.300 -0.032 0.000 1.066 99 M CA 1.667 56.946 55.300 -0.036 0.000 1.107 99 M CB -0.643 31.951 32.600 -0.010 0.000 1.356 99 M HN 0.234 nan 8.290 nan 0.000 0.406 100 I N 0.279 120.835 120.570 -0.024 0.000 2.252 100 I HA -0.262 3.916 4.170 0.014 0.000 0.245 100 I C 1.472 177.649 176.117 0.099 0.000 1.102 100 I CA 1.126 62.444 61.300 0.029 0.000 1.385 100 I CB -0.569 37.438 38.000 0.011 0.000 1.064 100 I HN 0.313 nan 8.210 nan 0.000 0.414 101 N N 0.361 119.107 118.700 0.076 0.000 2.550 101 N HA -0.048 4.701 4.740 0.014 0.000 0.186 101 N C 0.988 176.453 175.510 -0.075 0.000 1.110 101 N CA 0.711 53.820 53.050 0.098 0.000 0.912 101 N CB 0.140 38.667 38.487 0.067 0.000 0.968 101 N HN 0.171 nan 8.380 nan 0.000 0.448 102 L N -1.077 120.105 121.223 -0.070 0.000 2.766 102 L HA 0.375 4.723 4.340 0.014 0.000 0.242 102 L C 0.961 177.773 176.870 -0.098 0.000 1.136 102 L CA -0.072 54.715 54.840 -0.087 0.000 0.933 102 L CB -0.376 41.647 42.059 -0.059 0.000 1.241 102 L HN 0.135 nan 8.230 nan 0.000 0.522 103 G N 0.472 109.217 108.800 -0.091 0.000 2.323 103 G HA2 -0.300 3.668 3.960 0.014 0.000 0.292 103 G HA3 -0.300 3.668 3.960 0.014 0.000 0.292 103 G C 0.636 175.496 174.900 -0.067 0.000 1.040 103 G CA 0.687 45.742 45.100 -0.076 0.000 0.942 103 G HN 0.275 nan 8.290 nan 0.000 0.506 104 L N -0.845 120.337 121.223 -0.069 0.000 2.920 104 L HA 0.357 4.706 4.340 0.014 0.000 0.257 104 L C 2.362 179.203 176.870 -0.048 0.000 1.150 104 L CA 1.479 56.267 54.840 -0.087 0.000 0.959 104 L CB 0.022 41.989 42.059 -0.154 0.000 1.321 104 L HN 0.445 nan 8.230 nan 0.000 0.555 105 Q N -0.108 119.676 119.800 -0.027 0.000 2.061 105 Q HA -0.242 4.106 4.340 0.014 0.000 0.204 105 Q C 1.563 177.559 176.000 -0.007 0.000 0.984 105 Q CA 2.508 58.305 55.803 -0.010 0.000 0.846 105 Q CB 0.023 28.757 28.738 -0.007 0.000 0.902 105 Q HN 0.617 nan 8.270 nan 0.000 0.421 106 N N -0.604 118.089 118.700 -0.011 0.000 2.244 106 N HA -0.128 4.620 4.740 0.014 0.000 0.183 106 N C 1.638 177.143 175.510 -0.008 0.000 1.016 106 N CA 0.757 53.800 53.050 -0.011 0.000 0.866 106 N CB -0.087 38.392 38.487 -0.013 0.000 0.980 106 N HN 0.287 nan 8.380 nan 0.000 0.430 107 A N 0.312 123.126 122.820 -0.011 0.000 1.897 107 A HA -0.102 4.226 4.320 0.014 0.000 0.215 107 A C 2.362 179.950 177.584 0.007 0.000 1.181 107 A CA 0.865 52.900 52.037 -0.004 0.000 0.620 107 A CB -0.786 18.205 19.000 -0.014 0.000 0.821 107 A HN 0.430 nan 8.150 nan 0.000 0.443 108 C N -0.335 118.968 119.300 0.005 0.000 2.446 108 C HA -0.064 4.405 4.460 0.014 0.000 0.277 108 C C 2.318 177.324 174.990 0.027 0.000 1.275 108 C CA 0.986 60.020 59.018 0.027 0.000 1.727 108 C CB -1.168 26.597 27.740 0.042 0.000 2.010 108 C HN 0.608 nan 8.230 nan 0.000 0.486 109 D N 0.680 121.093 120.400 0.022 0.000 2.149 109 D HA -0.140 4.508 4.640 0.014 0.000 0.198 109 D C 2.070 178.396 176.300 0.043 0.000 0.990 109 D CA 1.377 55.392 54.000 0.025 0.000 0.839 109 D CB -0.450 40.352 40.800 0.004 0.000 0.948 109 D HN 0.500 nan 8.370 nan 0.000 0.460 110 E N 0.668 120.888 120.200 0.034 0.000 2.106 110 E HA -0.041 4.317 4.350 0.014 0.000 0.192 110 E C 1.854 178.503 176.600 0.082 0.000 0.984 110 E CA 1.269 57.711 56.400 0.070 0.000 0.806 110 E CB -0.341 29.382 29.700 0.039 0.000 0.750 110 E HN 0.152 nan 8.360 nan 0.000 0.458 111 A N 0.996 123.831 122.820 0.025 0.000 1.858 111 A HA -0.148 4.180 4.320 0.014 0.000 0.216 111 A C 2.175 179.692 177.584 -0.111 0.000 1.190 111 A CA 1.629 53.649 52.037 -0.028 0.000 0.617 111 A CB -0.687 18.302 19.000 -0.018 0.000 0.827 111 A HN 0.336 nan 8.150 nan 0.000 0.443 112 I N -1.319 119.185 120.570 -0.110 0.000 2.361 112 I HA -0.212 3.966 4.170 0.014 0.000 0.251 112 I C 2.381 178.430 176.117 -0.112 0.000 1.133 112 I CA 1.468 62.655 61.300 -0.188 0.000 1.413 112 I CB -1.506 36.441 38.000 -0.088 0.000 1.073 112 I HN 0.591 nan 8.210 nan 0.000 0.424 113 Y N 2.189 122.418 120.300 -0.117 0.000 2.145 113 Y HA -0.240 4.315 4.550 0.008 0.000 0.286 113 Y C 2.684 178.526 175.900 -0.095 0.000 1.145 113 Y CA 1.769 59.816 58.100 -0.088 0.000 1.148 113 Y CB -0.462 37.965 38.460 -0.055 0.000 0.981 113 Y HN 0.202 nan 8.280 nan 0.000 0.507 114 Q N -0.112 119.561 119.800 -0.210 0.000 2.170 114 Q HA -0.140 4.209 4.340 0.014 0.000 0.203 114 Q C 2.018 177.852 176.000 -0.277 0.000 0.976 114 Q CA 1.563 57.198 55.803 -0.280 0.000 0.858 114 Q CB -0.171 28.512 28.738 -0.092 0.000 0.907 114 Q HN 0.515 nan 8.270 nan 0.000 0.433 115 L N -0.780 120.281 121.223 -0.269 0.000 2.610 115 L HA 0.068 4.417 4.340 0.014 0.000 0.232 115 L C 1.141 177.842 176.870 -0.280 0.000 1.149 115 L CA 0.461 55.133 54.840 -0.280 0.000 0.872 115 L CB -0.060 41.753 42.059 -0.411 0.000 0.992 115 L HN 0.388 nan 8.230 nan 0.000 0.447 116 G N 0.087 108.705 108.800 -0.303 0.000 2.143 116 G HA2 -0.255 3.713 3.960 0.014 0.000 0.249 116 G HA3 -0.255 3.713 3.960 0.014 0.000 0.249 116 G C 0.082 174.859 174.900 -0.205 0.000 0.981 116 G CA -0.121 44.826 45.100 -0.256 0.000 0.665 116 G HN 0.225 nan 8.290 nan 0.000 0.528 117 L N 0.169 121.259 121.223 -0.221 0.000 2.334 117 L HA 0.542 4.891 4.340 0.014 0.000 0.270 117 L C -0.091 176.748 176.870 -0.052 0.000 1.018 117 L CA -1.022 53.716 54.840 -0.170 0.000 0.811 117 L CB 1.388 43.281 42.059 -0.276 0.000 1.271 117 L HN 0.076 nan 8.230 nan 0.000 0.443 118 D N 1.653 122.053 120.400 0.000 0.000 2.411 118 D HA 0.074 4.722 4.640 0.014 0.000 0.225 118 D C 0.810 177.148 176.300 0.064 0.000 1.156 118 D CA -0.279 53.750 54.000 0.048 0.000 0.874 118 D CB 1.313 42.147 40.800 0.056 0.000 1.034 118 D HN 0.440 nan 8.370 nan 0.000 0.502 119 I N 3.982 124.591 120.570 0.065 0.000 2.194 119 I HA -0.226 3.953 4.170 0.014 0.000 0.246 119 I C 1.979 178.150 176.117 0.089 0.000 1.093 119 I CA 1.528 62.876 61.300 0.079 0.000 1.355 119 I CB 0.005 38.044 38.000 0.065 0.000 1.046 119 I HN 0.483 nan 8.210 nan 0.000 0.413 120 E N 0.357 120.600 120.200 0.072 0.000 2.077 120 E HA -0.317 4.042 4.350 0.014 0.000 0.193 120 E C 2.147 178.793 176.600 0.076 0.000 0.989 120 E CA 1.636 58.076 56.400 0.067 0.000 0.800 120 E CB -0.194 29.542 29.700 0.060 0.000 0.746 120 E HN 0.719 nan 8.360 nan 0.000 0.452 121 E N -0.127 120.122 120.200 0.081 0.000 2.153 121 E HA -0.197 4.161 4.350 0.014 0.000 0.194 121 E C 2.093 178.750 176.600 0.096 0.000 0.988 121 E CA 0.760 57.210 56.400 0.083 0.000 0.811 121 E CB 0.077 29.828 29.700 0.085 0.000 0.746 121 E HN 0.128 nan 8.360 nan 0.000 0.466 122 L N 1.237 122.541 121.223 0.134 0.000 2.109 122 L HA -0.087 4.262 4.340 0.014 0.000 0.207 122 L C 2.061 179.029 176.870 0.165 0.000 1.086 122 L CA 1.604 56.563 54.840 0.200 0.000 0.760 122 L CB -0.484 41.746 42.059 0.285 0.000 0.910 122 L HN 0.133 nan 8.230 nan 0.000 0.437 123 E N -0.620 119.661 120.200 0.135 0.000 2.153 123 E HA -0.192 4.166 4.350 0.014 0.000 0.194 123 E C 1.695 178.273 176.600 -0.036 0.000 0.988 123 E CA 0.722 57.175 56.400 0.088 0.000 0.811 123 E CB -0.081 29.666 29.700 0.078 0.000 0.746 123 E HN 0.397 nan 8.360 nan 0.000 0.466 124 E N 0.513 120.703 120.200 -0.017 0.000 2.409 124 E HA -0.100 4.258 4.350 0.014 0.000 0.198 124 E C 1.807 178.347 176.600 -0.099 0.000 1.024 124 E CA 0.354 56.737 56.400 -0.029 0.000 0.861 124 E CB 0.116 29.833 29.700 0.029 0.000 0.788 124 E HN 0.301 nan 8.360 nan 0.000 0.521 125 I N 0.814 121.255 120.570 -0.215 0.000 2.500 125 I HA -0.108 4.070 4.170 0.014 0.000 0.252 125 I C 1.278 177.097 176.117 -0.497 0.000 1.142 125 I CA 0.368 61.470 61.300 -0.330 0.000 1.451 125 I CB -0.585 37.182 38.000 -0.388 0.000 1.093 125 I HN 0.116 nan 8.210 nan 0.000 0.430 126 E N 2.619 122.384 120.200 -0.724 0.000 2.415 126 E HA -0.069 4.290 4.350 0.014 0.000 0.263 126 E C -0.174 176.372 176.600 -0.090 0.000 0.995 126 E CA -0.030 56.078 56.400 -0.486 0.000 0.915 126 E CB 0.649 30.194 29.700 -0.259 0.000 0.951 126 E HN 0.101 nan 8.360 nan 0.000 0.449 127 E N 3.627 123.874 120.200 0.079 0.000 2.301 127 E HA 0.106 4.464 4.350 0.014 0.000 0.275 127 E C -0.779 175.930 176.600 0.182 0.000 1.030 127 E CA -0.447 56.054 56.400 0.168 0.000 0.852 127 E CB 0.936 30.810 29.700 0.289 0.000 1.060 127 E HN 0.509 nan 8.360 nan 0.000 0.401 128 D N 0.810 121.269 120.400 0.098 0.000 2.399 128 D HA 0.172 4.820 4.640 0.014 0.000 0.241 128 D C -0.302 175.983 176.300 -0.025 0.000 1.133 128 D CA 0.071 54.080 54.000 0.016 0.000 0.890 128 D CB 0.696 41.468 40.800 -0.046 0.000 1.201 128 D HN 0.378 nan 8.370 nan 0.000 0.432 129 A N 1.885 124.626 122.820 -0.132 0.000 2.923 129 A HA 0.483 4.811 4.320 0.014 0.000 0.306 129 A C 0.922 178.333 177.584 -0.289 0.000 1.542 129 A CA -0.503 51.249 52.037 -0.475 0.000 1.225 129 A CB -0.340 18.453 19.000 -0.345 0.000 1.147 129 A HN 0.479 nan 8.150 nan 0.000 0.542 130 G N 1.601 110.250 108.800 -0.252 0.000 3.541 130 G HA2 0.411 4.379 3.960 0.014 0.000 0.253 130 G HA3 0.411 4.379 3.960 0.014 0.000 0.253 130 G C 0.296 175.177 174.900 -0.032 0.000 1.017 130 G CA -0.286 44.850 45.100 0.061 0.000 1.832 130 G HN 0.677 nan 8.290 nan 0.000 0.649 131 L N 1.398 122.605 121.223 -0.026 0.000 2.939 131 L HA 0.396 4.745 4.340 0.014 0.000 0.239 131 L C 1.065 177.975 176.870 0.066 0.000 1.325 131 L CA -0.274 54.621 54.840 0.091 0.000 1.170 131 L CB -0.339 41.852 42.059 0.220 0.000 1.538 131 L HN 0.319 nan 8.230 nan 0.000 0.452 132 G N -1.241 107.403 108.800 -0.260 0.000 2.660 132 G HA2 0.233 4.201 3.960 0.014 0.000 0.290 132 G HA3 0.233 4.201 3.960 0.014 0.000 0.290 132 G C -0.175 174.154 174.900 -0.952 0.000 1.432 132 G CA -0.431 44.335 45.100 -0.556 0.000 0.807 132 G HN -0.059 nan 8.290 nan 0.000 0.485 133 N N -0.773 117.546 118.700 -0.635 0.000 2.482 133 N HA 0.283 5.031 4.740 0.014 0.000 0.179 133 N C 0.780 176.115 175.510 -0.292 0.000 1.039 133 N CA 1.249 54.063 53.050 -0.392 0.000 0.884 133 N CB 1.221 39.656 38.487 -0.087 0.000 1.113 133 N HN 1.177 nan 8.380 nan 0.000 0.440 134 G N -1.339 107.345 108.800 -0.193 0.000 2.312 134 G HA2 0.367 4.335 3.960 0.014 0.000 0.322 134 G HA3 0.367 4.335 3.960 0.014 0.000 0.322 134 G C 0.318 175.280 174.900 0.102 0.000 1.645 134 G CA -0.141 45.051 45.100 0.153 0.000 0.919 134 G HN 0.410 nan 8.290 nan 0.000 0.699 135 G N 0.562 109.431 108.800 0.114 0.000 5.426 135 G HA2 -0.220 3.748 3.960 0.014 0.000 0.297 135 G HA3 -0.220 3.748 3.960 0.014 0.000 0.297 135 G C 1.633 176.500 174.900 -0.056 0.000 1.422 135 G CA 1.329 46.441 45.100 0.021 0.000 0.938 135 G HN 2.133 nan 8.290 nan 0.000 0.754 136 L N 2.123 123.275 121.223 -0.119 0.000 1.955 136 L HA 0.236 4.584 4.340 0.014 0.000 0.213 136 L C 2.958 179.719 176.870 -0.183 0.000 1.072 136 L CA 3.637 58.310 54.840 -0.278 0.000 0.755 136 L CB -1.172 40.703 42.059 -0.307 0.000 0.888 136 L HN 0.887 nan 8.230 nan 0.000 0.432 137 G N -1.552 107.186 108.800 -0.104 0.000 2.471 137 G HA2 -0.293 3.676 3.960 0.014 0.000 0.219 137 G HA3 -0.293 3.676 3.960 0.014 0.000 0.219 137 G C 1.718 176.640 174.900 0.036 0.000 1.125 137 G CA 0.770 45.827 45.100 -0.072 0.000 0.775 137 G HN 0.364 nan 8.290 nan 0.000 0.548 138 R N -0.228 120.335 120.500 0.104 0.000 2.200 138 R HA 0.219 4.567 4.340 0.014 0.000 0.208 138 R C 2.155 178.437 176.300 -0.031 0.000 1.033 138 R CA 0.439 56.613 56.100 0.123 0.000 1.000 138 R CB -0.617 29.771 30.300 0.147 0.000 0.906 138 R HN 0.327 nan 8.270 nan 0.000 0.462 139 L N -0.138 120.978 121.223 -0.178 0.000 2.156 139 L HA 0.175 4.524 4.340 0.014 0.000 0.208 139 L C 1.939 178.417 176.870 -0.654 0.000 1.095 139 L CA 1.795 56.358 54.840 -0.462 0.000 0.770 139 L CB -0.566 41.179 42.059 -0.524 0.000 0.914 139 L HN 0.208 nan 8.230 nan 0.000 0.439 140 A N -0.366 122.223 122.820 -0.385 0.000 1.855 140 A HA -0.092 4.236 4.320 0.014 0.000 0.215 140 A C 2.462 180.010 177.584 -0.059 0.000 1.191 140 A CA 1.707 53.545 52.037 -0.332 0.000 0.613 140 A CB -1.205 17.550 19.000 -0.409 0.000 0.829 140 A HN 0.520 nan 8.150 nan 0.000 0.442 141 A N -0.812 122.034 122.820 0.043 0.000 1.865 141 A HA -0.222 4.106 4.320 0.014 0.000 0.217 141 A C 2.325 179.974 177.584 0.108 0.000 1.191 141 A CA 1.841 53.964 52.037 0.143 0.000 0.623 141 A CB -1.411 17.669 19.000 0.133 0.000 0.826 141 A HN 0.622 nan 8.150 nan 0.000 0.444 142 C N -1.574 117.786 119.300 0.099 0.000 2.425 142 C HA -0.064 4.405 4.460 0.014 0.000 0.277 142 C C 2.432 177.580 174.990 0.264 0.000 1.280 142 C CA 0.581 59.703 59.018 0.172 0.000 1.744 142 C CB -1.660 26.204 27.740 0.207 0.000 1.989 142 C HN 0.595 nan 8.230 nan 0.000 0.491 143 F N 1.079 120.996 119.950 -0.056 0.000 2.146 143 F HA -0.044 4.491 4.527 0.014 0.000 0.298 143 F C 2.255 178.013 175.800 -0.070 0.000 1.096 143 F CA 0.932 58.861 58.000 -0.118 0.000 1.275 143 F CB -1.352 37.434 39.000 -0.357 0.000 1.008 143 F HN 0.181 nan 8.300 nan 0.000 0.480 144 L N -0.337 120.982 121.223 0.161 0.000 2.012 144 L HA -0.262 4.086 4.340 0.014 0.000 0.210 144 L C 2.412 179.315 176.870 0.054 0.000 1.073 144 L CA 2.004 56.905 54.840 0.103 0.000 0.748 144 L CB -0.742 41.398 42.059 0.135 0.000 0.891 144 L HN 0.171 nan 8.230 nan 0.000 0.431 145 D N -0.552 119.882 120.400 0.056 0.000 2.144 145 D HA -0.161 4.487 4.640 0.014 0.000 0.199 145 D C 2.077 178.400 176.300 0.037 0.000 0.984 145 D CA 1.380 55.394 54.000 0.023 0.000 0.834 145 D CB 0.376 41.177 40.800 0.001 0.000 0.955 145 D HN 0.213 nan 8.370 nan 0.000 0.465 146 S N -0.311 115.425 115.700 0.061 0.000 2.387 146 S HA -0.008 4.471 4.470 0.014 0.000 0.226 146 S C 2.101 176.715 174.600 0.023 0.000 1.026 146 S CA 0.531 58.757 58.200 0.045 0.000 0.972 146 S CB 0.005 63.233 63.200 0.047 0.000 0.814 146 S HN 0.328 nan 8.310 nan 0.000 0.477 147 M N 0.897 120.505 119.600 0.013 0.000 2.175 147 M HA -0.055 4.433 4.480 0.014 0.000 0.264 147 M C 2.406 178.712 176.300 0.010 0.000 1.063 147 M CA 1.292 56.594 55.300 0.004 0.000 1.119 147 M CB -0.523 32.066 32.600 -0.018 0.000 1.377 147 M HN 0.369 nan 8.290 nan 0.000 0.415 148 A N -0.071 122.755 122.820 0.010 0.000 1.929 148 A HA -0.097 4.231 4.320 0.014 0.000 0.216 148 A C 2.176 179.778 177.584 0.030 0.000 1.176 148 A CA 1.875 53.920 52.037 0.014 0.000 0.628 148 A CB -0.933 18.059 19.000 -0.013 0.000 0.816 148 A HN 0.421 nan 8.150 nan 0.000 0.444 149 T N 0.051 114.628 114.554 0.040 0.000 2.857 149 T HA -0.031 4.327 4.350 0.014 0.000 0.266 149 T C 1.311 176.042 174.700 0.051 0.000 1.048 149 T CA 1.182 63.319 62.100 0.060 0.000 1.139 149 T CB -0.200 68.720 68.868 0.087 0.000 0.874 149 T HN 0.214 nan 8.240 nan 0.000 0.455 150 L N 0.507 121.756 121.223 0.043 0.000 2.599 150 L HA 0.352 4.701 4.340 0.014 0.000 0.230 150 L C 1.849 178.747 176.870 0.046 0.000 1.141 150 L CA 0.552 55.417 54.840 0.041 0.000 0.877 150 L CB -0.858 41.223 42.059 0.036 0.000 1.009 150 L HN 0.438 nan 8.230 nan 0.000 0.447 151 G N -0.580 108.253 108.800 0.055 0.000 2.143 151 G HA2 -0.276 3.693 3.960 0.014 0.000 0.248 151 G HA3 -0.276 3.693 3.960 0.014 0.000 0.248 151 G C 0.382 175.336 174.900 0.091 0.000 0.991 151 G CA 0.144 45.296 45.100 0.087 0.000 0.689 151 G HN 0.278 nan 8.290 nan 0.000 0.522 152 L N 0.007 121.248 121.223 0.029 0.000 2.436 152 L HA 0.541 4.889 4.340 0.014 0.000 0.265 152 L C 1.382 178.140 176.870 -0.187 0.000 1.168 152 L CA -0.048 54.756 54.840 -0.060 0.000 0.815 152 L CB 1.092 43.118 42.059 -0.055 0.000 1.109 152 L HN 0.268 nan 8.230 nan 0.000 0.462 153 A N 2.431 124.972 122.820 -0.465 0.000 3.091 153 A HA 0.561 4.889 4.320 0.014 0.000 0.264 153 A C 0.270 177.530 177.584 -0.540 0.000 1.673 153 A CA -0.222 51.226 52.037 -0.981 0.000 1.362 153 A CB -0.669 17.597 19.000 -1.224 0.000 1.137 153 A HN 0.674 nan 8.150 nan 0.000 0.617 154 A N 0.890 123.464 122.820 -0.410 0.000 2.325 154 A HA 0.805 5.134 4.320 0.014 0.000 0.333 154 A C -0.912 176.458 177.584 -0.356 0.000 1.155 154 A CA -0.405 51.449 52.037 -0.305 0.000 0.814 154 A CB 0.653 19.526 19.000 -0.212 0.000 1.206 154 A HN 0.593 nan 8.150 nan 0.000 0.482 155 Y N -0.108 120.133 120.300 -0.097 0.000 2.477 155 Y HA 0.574 5.132 4.550 0.014 0.000 0.347 155 Y C 0.738 176.794 175.900 0.259 0.000 0.981 155 Y CA -0.589 57.573 58.100 0.103 0.000 1.033 155 Y CB 2.647 41.276 38.460 0.281 0.000 1.245 155 Y HN 0.841 nan 8.280 nan 0.000 0.455 156 G N 1.483 110.469 108.800 0.309 0.000 2.416 156 G HA2 0.529 4.497 3.960 0.014 0.000 0.324 156 G HA3 0.529 4.497 3.960 0.014 0.000 0.324 156 G C -2.062 172.934 174.900 0.161 0.000 1.194 156 G CA -0.432 44.898 45.100 0.384 0.000 0.922 156 G HN 0.465 nan 8.290 nan 0.000 0.467 157 Y N 1.069 121.595 120.300 0.377 0.000 2.328 157 Y HA 0.644 5.203 4.550 0.014 0.000 0.336 157 Y C 0.773 176.931 175.900 0.430 0.000 0.960 157 Y CA 0.015 58.300 58.100 0.307 0.000 1.134 157 Y CB 2.522 41.209 38.460 0.378 0.000 1.166 157 Y HN 0.833 nan 8.280 nan 0.000 0.464 158 G N 2.419 111.442 108.800 0.372 0.000 2.911 158 G HA2 0.649 4.617 3.960 0.014 0.000 0.299 158 G HA3 0.649 4.617 3.960 0.014 0.000 0.299 158 G C -1.661 173.453 174.900 0.357 0.000 1.283 158 G CA -0.867 44.527 45.100 0.491 0.000 0.805 158 G HN 0.430 nan 8.290 nan 0.000 0.548 159 I N 0.572 121.265 120.570 0.205 0.000 2.404 159 I HA 0.387 4.566 4.170 0.014 0.000 0.293 159 I C 0.420 176.436 176.117 -0.169 0.000 0.992 159 I CA -0.662 60.648 61.300 0.017 0.000 1.149 159 I CB 2.099 39.929 38.000 -0.283 0.000 1.315 159 I HN 0.382 nan 8.210 nan 0.000 0.446 160 R N 6.530 127.054 120.500 0.040 0.000 3.266 160 R HA 0.184 4.533 4.340 0.014 0.000 0.224 160 R C -1.110 175.275 176.300 0.142 0.000 1.525 160 R CA -0.451 55.719 56.100 0.116 0.000 1.364 160 R CB -0.192 30.174 30.300 0.110 0.000 1.276 160 R HN 0.378 nan 8.270 nan 0.000 0.660 161 Y N 1.254 121.740 120.300 0.310 0.000 2.620 161 Y HA -0.124 4.434 4.550 0.014 0.000 0.330 161 Y C 1.575 177.679 175.900 0.341 0.000 1.186 161 Y CA 0.277 58.549 58.100 0.287 0.000 1.467 161 Y CB 0.630 39.245 38.460 0.259 0.000 1.262 161 Y HN 0.569 nan 8.280 nan 0.000 0.550 162 E N 2.168 122.545 120.200 0.295 0.000 2.268 162 E HA -0.144 4.215 4.350 0.014 0.000 0.195 162 E C -0.855 175.664 176.600 -0.134 0.000 0.995 162 E CA 0.793 57.170 56.400 -0.038 0.000 0.836 162 E CB 0.167 29.693 29.700 -0.291 0.000 0.763 162 E HN 0.634 nan 8.360 nan 0.000 0.491 163 Y N -0.829 119.719 120.300 0.414 0.000 2.329 163 Y HA 0.474 5.032 4.550 0.013 0.000 0.328 163 Y C 0.634 176.681 175.900 0.244 0.000 0.992 163 Y CA -0.642 57.660 58.100 0.336 0.000 1.151 163 Y CB 1.872 40.448 38.460 0.194 0.000 1.150 163 Y HN -0.063 nan 8.280 nan 0.000 0.450 164 G N 1.674 110.648 108.800 0.290 0.000 2.509 164 G HA2 0.342 4.310 3.960 0.014 0.000 0.269 164 G HA3 0.342 4.310 3.960 0.014 0.000 0.269 164 G C -0.514 174.410 174.900 0.040 0.000 1.416 164 G CA -0.782 44.350 45.100 0.053 0.000 1.052 164 G HN 0.628 nan 8.290 nan 0.000 0.542 165 I N 0.825 121.359 120.570 -0.059 0.000 2.826 165 I HA 0.170 4.348 4.170 0.014 0.000 0.295 165 I C 0.586 176.658 176.117 -0.075 0.000 1.213 165 I CA -0.820 60.416 61.300 -0.107 0.000 1.436 165 I CB -0.249 37.615 38.000 -0.227 0.000 1.348 165 I HN 0.342 nan 8.210 nan 0.000 0.570 166 F N 5.575 125.550 119.950 0.042 0.000 2.595 166 F HA 0.179 4.714 4.527 0.014 0.000 0.359 166 F C 0.442 176.293 175.800 0.085 0.000 1.147 166 F CA -0.525 57.510 58.000 0.057 0.000 1.341 166 F CB -0.545 38.470 39.000 0.025 0.000 1.104 166 F HN 0.518 nan 8.300 nan 0.000 0.603 167 N N 2.288 121.140 118.700 0.253 0.000 2.513 167 N HA 0.037 4.786 4.740 0.014 0.000 0.268 167 N C -0.799 174.917 175.510 0.343 0.000 1.180 167 N CA -0.579 52.585 53.050 0.190 0.000 0.948 167 N CB 0.624 39.216 38.487 0.175 0.000 1.083 167 N HN 0.701 nan 8.380 nan 0.000 0.455 168 Q N 2.676 122.639 119.800 0.272 0.000 2.293 168 Q HA 0.249 4.597 4.340 0.014 0.000 0.261 168 Q C -1.205 174.952 176.000 0.262 0.000 0.960 168 Q CA -0.630 55.396 55.803 0.372 0.000 0.882 168 Q CB 0.803 29.767 28.738 0.377 0.000 1.275 168 Q HN 0.333 nan 8.270 nan 0.000 0.445 169 K N 3.539 124.073 120.400 0.223 0.000 2.340 169 K HA 0.530 4.858 4.320 0.014 0.000 0.244 169 K C -0.733 175.954 176.600 0.145 0.000 0.973 169 K CA -0.893 55.492 56.287 0.163 0.000 0.828 169 K CB 1.631 34.201 32.500 0.117 0.000 1.226 169 K HN 0.633 nan 8.250 nan 0.000 0.437 170 I N 2.363 123.006 120.570 0.122 0.000 2.382 170 I HA 0.295 4.474 4.170 0.014 0.000 0.285 170 I C -0.199 175.964 176.117 0.078 0.000 1.007 170 I CA -0.724 60.625 61.300 0.081 0.000 1.142 170 I CB 1.245 39.279 38.000 0.056 0.000 1.289 170 I HN 0.395 nan 8.210 nan 0.000 0.453 171 R N 4.818 125.375 120.500 0.096 0.000 2.439 171 R HA 0.339 4.688 4.340 0.014 0.000 0.310 171 R C -0.150 176.238 176.300 0.147 0.000 0.955 171 R CA -0.160 55.996 56.100 0.094 0.000 0.853 171 R CB 0.478 30.822 30.300 0.074 0.000 1.171 171 R HN 0.577 nan 8.270 nan 0.000 0.449 172 D N 3.325 123.795 120.400 0.115 0.000 2.772 172 D HA -0.180 4.469 4.640 0.014 0.000 0.233 172 D C 0.760 177.150 176.300 0.150 0.000 1.143 172 D CA 2.410 56.499 54.000 0.148 0.000 0.700 172 D CB -1.055 39.868 40.800 0.204 0.000 1.076 172 D HN 0.984 nan 8.370 nan 0.000 0.430 173 G N -2.308 106.508 108.800 0.028 0.000 2.304 173 G HA2 -0.343 3.625 3.960 0.014 0.000 0.252 173 G HA3 -0.343 3.625 3.960 0.014 0.000 0.252 173 G C 0.302 175.066 174.900 -0.226 0.000 1.014 173 G CA 0.471 45.485 45.100 -0.144 0.000 0.619 173 G HN 0.342 nan 8.290 nan 0.000 0.525 174 W N 1.208 122.459 121.300 -0.082 0.000 2.436 174 W HA 0.677 5.345 4.660 0.013 0.000 0.347 174 W C 0.693 177.157 176.519 -0.091 0.000 1.136 174 W CA -0.696 56.591 57.345 -0.096 0.000 1.286 174 W CB 0.577 29.999 29.460 -0.064 0.000 1.253 174 W HN 0.289 nan 8.180 nan 0.000 0.617 175 Q N 1.294 121.194 119.800 0.166 0.000 2.332 175 Q HA 0.396 4.744 4.340 0.014 0.000 0.263 175 Q C -1.207 174.853 176.000 0.100 0.000 0.979 175 Q CA 0.060 55.930 55.803 0.111 0.000 0.885 175 Q CB 0.851 29.657 28.738 0.112 0.000 1.218 175 Q HN 0.448 nan 8.270 nan 0.000 0.405 176 V N 3.770 123.736 119.914 0.087 0.000 2.656 176 V HA 0.303 4.432 4.120 0.014 0.000 0.307 176 V C -1.088 175.020 176.094 0.023 0.000 1.051 176 V CA -0.834 61.483 62.300 0.027 0.000 0.893 176 V CB 2.135 33.981 31.823 0.039 0.000 0.999 176 V HN 0.861 nan 8.190 nan 0.000 0.426 177 E N 2.761 122.900 120.200 -0.102 0.000 2.216 177 E HA 0.610 4.968 4.350 0.014 0.000 0.279 177 E C -0.753 175.836 176.600 -0.020 0.000 0.997 177 E CA -0.398 55.914 56.400 -0.147 0.000 0.817 177 E CB 1.546 30.894 29.700 -0.586 0.000 1.096 177 E HN 0.630 nan 8.360 nan 0.000 0.393 178 E N 0.814 121.080 120.200 0.109 0.000 2.288 178 E HA 0.599 4.958 4.350 0.014 0.000 0.268 178 E C -0.993 175.672 176.600 0.108 0.000 0.885 178 E CA -1.325 55.124 56.400 0.082 0.000 0.767 178 E CB 1.963 31.724 29.700 0.102 0.000 1.220 178 E HN 0.566 nan 8.360 nan 0.000 0.427 179 A N 1.791 124.630 122.820 0.030 0.000 2.511 179 A HA 0.035 4.363 4.320 0.014 0.000 0.242 179 A C -0.081 177.608 177.584 0.176 0.000 1.069 179 A CA 0.102 52.139 52.037 -0.001 0.000 0.763 179 A CB -0.003 18.874 19.000 -0.204 0.000 1.001 179 A HN 0.617 nan 8.150 nan 0.000 0.498 180 D N 2.148 122.727 120.400 0.298 0.000 2.524 180 D HA 0.234 4.882 4.640 0.014 0.000 0.222 180 D C -0.752 175.878 176.300 0.550 0.000 1.142 180 D CA -0.514 53.699 54.000 0.354 0.000 0.973 180 D CB 0.290 41.260 40.800 0.284 0.000 1.025 180 D HN 0.423 nan 8.370 nan 0.000 0.519 181 D N 3.377 124.051 120.400 0.457 0.000 2.558 181 D HA -0.032 4.617 4.640 0.014 0.000 0.221 181 D C 1.374 177.745 176.300 0.118 0.000 1.143 181 D CA -0.839 53.326 54.000 0.276 0.000 1.010 181 D CB -0.406 40.534 40.800 0.233 0.000 1.068 181 D HN 0.564 nan 8.370 nan 0.000 0.511 182 W N 1.437 122.745 121.300 0.013 0.000 2.468 182 W HA -0.046 4.621 4.660 0.012 0.000 0.262 182 W C 0.156 176.669 176.519 -0.009 0.000 1.241 182 W CA -0.082 57.275 57.345 0.020 0.000 1.232 182 W CB -0.798 28.704 29.460 0.070 0.000 1.124 182 W HN 0.182 nan 8.180 nan 0.000 0.597 183 L N 0.991 121.757 121.223 -0.762 0.000 2.592 183 L HA 0.153 4.501 4.340 0.014 0.000 0.227 183 L C 2.732 179.367 176.870 -0.392 0.000 1.127 183 L CA 0.041 54.436 54.840 -0.741 0.000 0.884 183 L CB -0.663 40.865 42.059 -0.885 0.000 1.065 183 L HN -0.069 nan 8.230 nan 0.000 0.457 184 R N 0.954 121.237 120.500 -0.362 0.000 2.115 184 R HA -0.234 4.114 4.340 0.014 0.000 0.239 184 R C 1.343 177.486 176.300 -0.261 0.000 1.133 184 R CA 2.182 58.051 56.100 -0.385 0.000 0.935 184 R CB -0.228 29.689 30.300 -0.637 0.000 0.853 184 R HN 0.261 nan 8.270 nan 0.000 0.433 185 Y N -0.092 120.245 120.300 0.062 0.000 2.470 185 Y HA 0.386 4.944 4.550 0.014 0.000 0.284 185 Y C 0.803 176.787 175.900 0.139 0.000 1.188 185 Y CA 0.116 58.308 58.100 0.153 0.000 1.269 185 Y CB 0.094 38.738 38.460 0.307 0.000 1.094 185 Y HN 0.457 nan 8.280 nan 0.000 0.518 186 G N 1.450 110.299 108.800 0.081 0.000 2.712 186 G HA2 -0.219 3.749 3.960 0.014 0.000 0.686 186 G HA3 -0.219 3.749 3.960 0.014 0.000 0.686 186 G C -1.069 173.866 174.900 0.059 0.000 1.321 186 G CA -0.716 44.372 45.100 -0.021 0.000 0.813 186 G HN 0.405 nan 8.290 nan 0.000 0.599 187 N N 1.550 120.222 118.700 -0.047 0.000 2.483 187 N HA 0.613 5.361 4.740 0.014 0.000 0.267 187 N C -0.568 174.934 175.510 -0.014 0.000 0.998 187 N CA -1.901 51.183 53.050 0.056 0.000 0.918 187 N CB 2.168 40.631 38.487 -0.040 0.000 1.215 187 N HN 0.241 nan 8.380 nan 0.000 0.500 188 P HA 0.000 nan 4.420 nan 0.000 0.229 188 P C 0.288 177.258 177.300 -0.549 0.000 1.160 188 P CA 0.750 63.557 63.100 -0.488 0.000 0.777 188 P CB 0.033 31.261 31.700 -0.787 0.000 0.814 189 W N 2.077 123.407 121.300 0.051 0.000 3.292 189 W HA 0.107 4.774 4.660 0.012 0.000 0.263 189 W C 0.791 177.352 176.519 0.071 0.000 1.318 189 W CA -0.483 56.885 57.345 0.039 0.000 1.663 189 W CB -0.126 29.376 29.460 0.070 0.000 1.114 189 W HN 0.119 nan 8.180 nan 0.000 0.706 190 E N 0.610 120.940 120.200 0.217 0.000 2.256 190 E HA 0.556 4.914 4.350 0.014 0.000 0.267 190 E C -1.000 175.738 176.600 0.229 0.000 0.892 190 E CA -1.286 55.264 56.400 0.249 0.000 0.775 190 E CB 1.914 31.763 29.700 0.249 0.000 1.207 190 E HN -0.274 nan 8.360 nan 0.000 0.420 191 K N 1.687 122.245 120.400 0.263 0.000 2.579 191 K HA 0.201 4.529 4.320 0.014 0.000 0.250 191 K C -1.114 175.516 176.600 0.051 0.000 0.952 191 K CA -0.557 55.829 56.287 0.164 0.000 0.857 191 K CB 1.572 34.163 32.500 0.152 0.000 1.123 191 K HN 0.658 nan 8.250 nan 0.000 0.433 192 S N 4.139 119.792 115.700 -0.078 0.000 2.552 192 S HA 0.253 4.731 4.470 0.014 0.000 0.289 192 S C -0.113 174.330 174.600 -0.262 0.000 1.304 192 S CA -0.430 57.466 58.200 -0.507 0.000 1.063 192 S CB 0.489 63.344 63.200 -0.574 0.000 0.848 192 S HN 0.483 nan 8.310 nan 0.000 0.499 193 R N 3.686 124.034 120.500 -0.253 0.000 2.575 193 R HA 0.299 4.647 4.340 0.014 0.000 0.281 193 R C -1.863 174.405 176.300 -0.054 0.000 1.272 193 R CA -2.487 53.575 56.100 -0.063 0.000 1.417 193 R CB 0.443 30.787 30.300 0.073 0.000 1.121 193 R HN 0.593 nan 8.270 nan 0.000 0.583 194 P HA -0.214 nan 4.420 nan 0.000 0.215 194 P C 0.892 178.136 177.300 -0.094 0.000 1.153 194 P CA 1.261 64.307 63.100 -0.089 0.000 0.853 194 P CB 0.335 31.979 31.700 -0.093 0.000 0.788 195 E N -0.191 119.892 120.200 -0.195 0.000 2.396 195 E HA -0.166 4.193 4.350 0.014 0.000 0.200 195 E C 0.780 177.113 176.600 -0.444 0.000 1.023 195 E CA 0.973 57.160 56.400 -0.355 0.000 0.857 195 E CB -0.921 28.457 29.700 -0.536 0.000 0.775 195 E HN 0.288 nan 8.360 nan 0.000 0.525 196 F N 0.738 120.692 119.950 0.006 0.000 2.647 196 F HA 0.352 4.888 4.527 0.014 0.000 0.300 196 F C 1.074 176.965 175.800 0.152 0.000 1.106 196 F CA -0.538 57.503 58.000 0.069 0.000 1.313 196 F CB 0.016 39.050 39.000 0.058 0.000 1.007 196 F HN -0.104 nan 8.300 nan 0.000 0.536 197 M N 1.355 121.086 119.600 0.218 0.000 2.252 197 M HA 0.250 4.739 4.480 0.014 0.000 0.321 197 M C -0.776 175.639 176.300 0.193 0.000 1.070 197 M CA 0.853 56.290 55.300 0.227 0.000 1.143 197 M CB 0.539 33.214 32.600 0.124 0.000 1.498 197 M HN 0.069 nan 8.290 nan 0.000 0.445 198 L N 4.631 125.946 121.223 0.153 0.000 2.424 198 L HA 0.650 4.998 4.340 0.014 0.000 0.258 198 L C -2.460 174.386 176.870 -0.040 0.000 0.995 198 L CA -1.905 52.953 54.840 0.029 0.000 0.821 198 L CB 2.425 44.452 42.059 -0.054 0.000 1.383 198 L HN 0.514 nan 8.230 nan 0.000 0.410 199 P HA 0.365 nan 4.420 nan 0.000 0.292 199 P C -1.330 175.795 177.300 -0.292 0.000 1.283 199 P CA -0.493 62.507 63.100 -0.166 0.000 0.835 199 P CB 2.405 33.994 31.700 -0.184 0.000 1.017 200 V N 3.610 123.345 119.914 -0.298 0.000 2.604 200 V HA 0.341 4.469 4.120 0.014 0.000 0.305 200 V C 0.162 175.983 176.094 -0.454 0.000 1.043 200 V CA -0.627 61.473 62.300 -0.334 0.000 0.888 200 V CB 1.609 33.355 31.823 -0.128 0.000 0.995 200 V HN 0.614 nan 8.190 nan 0.000 0.429 201 H N 3.424 122.324 119.070 -0.282 0.000 2.479 201 H HA 0.649 5.214 4.556 0.014 0.000 0.335 201 H C -1.379 173.637 175.328 -0.521 0.000 1.142 201 H CA -0.265 55.546 56.048 -0.396 0.000 1.234 201 H CB 1.882 31.171 29.762 -0.788 0.000 1.503 201 H HN 0.470 nan 8.280 nan 0.000 0.510 202 F N 0.429 120.452 119.950 0.123 0.000 2.591 202 F HA 0.212 4.748 4.527 0.014 0.000 0.309 202 F C -0.208 175.762 175.800 0.284 0.000 1.098 202 F CA -0.539 57.572 58.000 0.184 0.000 0.937 202 F CB 1.022 40.114 39.000 0.152 0.000 1.250 202 F HN 0.614 nan 8.300 nan 0.000 0.447 203 Y N 0.508 121.092 120.300 0.474 0.000 2.896 203 Y HA -0.067 4.491 4.550 0.014 0.000 0.466 203 Y C 1.511 177.661 175.900 0.417 0.000 1.198 203 Y CA 0.810 59.120 58.100 0.350 0.000 2.512 203 Y CB -1.841 36.753 38.460 0.224 0.000 1.232 203 Y HN 1.271 nan 8.280 nan 0.000 0.632 204 G N 0.542 109.611 108.800 0.449 0.000 2.645 204 G HA2 0.100 4.068 3.960 0.014 0.000 0.246 204 G HA3 0.100 4.068 3.960 0.014 0.000 0.246 204 G C -0.930 174.191 174.900 0.368 0.000 1.322 204 G CA 0.266 45.548 45.100 0.302 0.000 0.898 204 G HN 0.677 nan 8.290 nan 0.000 0.573 205 K N -1.157 119.445 120.400 0.336 0.000 2.522 205 K HA 0.675 5.004 4.320 0.014 0.000 0.275 205 K C -0.052 176.685 176.600 0.229 0.000 1.006 205 K CA -0.114 56.318 56.287 0.241 0.000 0.890 205 K CB 1.541 34.124 32.500 0.138 0.000 1.475 205 K HN 1.550 nan 8.250 nan 0.000 0.441 206 V N -1.867 118.085 119.914 0.063 0.000 2.481 206 V HA 0.596 4.724 4.120 0.014 0.000 0.286 206 V C -0.226 175.768 176.094 -0.166 0.000 1.042 206 V CA -0.383 61.866 62.300 -0.086 0.000 0.928 206 V CB 1.446 33.135 31.823 -0.223 0.000 0.986 206 V HN 0.750 nan 8.190 nan 0.000 0.462 207 E N 3.188 123.252 120.200 -0.227 0.000 2.373 207 E HA 0.339 4.698 4.350 0.014 0.000 0.251 207 E C -1.031 175.437 176.600 -0.219 0.000 0.923 207 E CA -0.689 55.612 56.400 -0.165 0.000 0.798 207 E CB 0.717 30.393 29.700 -0.040 0.000 1.303 207 E HN 0.946 nan 8.360 nan 0.000 0.412 208 H N 2.510 121.596 119.070 0.028 0.000 2.722 208 H HA 0.220 4.785 4.556 0.014 0.000 0.328 208 H C 0.418 175.758 175.328 0.019 0.000 1.067 208 H CA 0.331 56.390 56.048 0.019 0.000 1.447 208 H CB 1.312 31.079 29.762 0.008 0.000 1.469 208 H HN 0.556 nan 8.280 nan 0.000 0.544 209 T N -0.964 113.660 114.554 0.117 0.000 2.778 209 T HA 0.099 4.457 4.350 0.014 0.000 0.293 209 T C 0.910 175.648 174.700 0.064 0.000 1.144 209 T CA -1.108 61.036 62.100 0.073 0.000 1.010 209 T CB 0.875 69.771 68.868 0.047 0.000 1.325 209 T HN 0.473 nan 8.240 nan 0.000 0.515 210 N N -0.313 118.414 118.700 0.045 0.000 2.575 210 N HA 0.017 4.766 4.740 0.014 0.000 0.192 210 N C 1.137 176.668 175.510 0.036 0.000 1.200 210 N CA 0.734 53.806 53.050 0.037 0.000 0.897 210 N CB -0.513 37.991 38.487 0.028 0.000 0.990 210 N HN 0.824 nan 8.380 nan 0.000 0.449 211 T N -5.334 109.243 114.554 0.039 0.000 3.054 211 T HA 0.592 4.950 4.350 0.014 0.000 0.255 211 T C 0.861 175.587 174.700 0.043 0.000 1.035 211 T CA -0.066 62.056 62.100 0.037 0.000 0.941 211 T CB 0.288 69.175 68.868 0.032 0.000 1.026 211 T HN 0.438 nan 8.240 nan 0.000 0.533 212 G N 0.723 109.555 108.800 0.054 0.000 2.297 212 G HA2 0.172 4.140 3.960 0.014 0.000 0.209 212 G HA3 0.172 4.140 3.960 0.014 0.000 0.209 212 G C -0.979 173.971 174.900 0.083 0.000 1.267 212 G CA -0.494 44.645 45.100 0.066 0.000 1.127 212 G HN 0.363 nan 8.290 nan 0.000 0.498 213 T N 1.620 116.225 114.554 0.085 0.000 2.794 213 T HA 0.637 4.995 4.350 0.014 0.000 0.280 213 T C -0.222 174.495 174.700 0.027 0.000 0.987 213 T CA -0.319 61.825 62.100 0.073 0.000 0.993 213 T CB 1.318 70.260 68.868 0.124 0.000 0.939 213 T HN 0.569 nan 8.240 nan 0.000 0.449 214 K N 1.841 122.237 120.400 -0.007 0.000 2.292 214 K HA 0.331 4.660 4.320 0.014 0.000 0.257 214 K C -1.322 175.322 176.600 0.074 0.000 0.940 214 K CA -0.854 55.449 56.287 0.027 0.000 0.811 214 K CB 1.885 34.393 32.500 0.014 0.000 1.120 214 K HN 0.485 nan 8.250 nan 0.000 0.428 215 W N 7.013 128.242 121.300 -0.118 0.000 2.288 215 W HA 0.360 5.028 4.660 0.014 0.000 0.325 215 W C -0.825 175.629 176.519 -0.107 0.000 1.019 215 W CA -1.377 55.899 57.345 -0.116 0.000 1.403 215 W CB -0.179 29.209 29.460 -0.119 0.000 1.226 215 W HN 0.580 nan 8.180 nan 0.000 0.391 216 I N 1.465 122.088 120.570 0.089 0.000 3.133 216 I HA 0.577 4.756 4.170 0.014 0.000 0.311 216 I C -0.079 176.022 176.117 -0.026 0.000 1.072 216 I CA -1.018 60.255 61.300 -0.046 0.000 1.015 216 I CB 1.835 39.837 38.000 0.003 0.000 1.233 216 I HN 0.253 nan 8.210 nan 0.000 0.473 217 D N 0.683 121.072 120.400 -0.019 0.000 2.772 217 D HA -0.150 4.498 4.640 0.014 0.000 0.233 217 D C 0.001 176.321 176.300 0.033 0.000 1.143 217 D CA 1.513 55.531 54.000 0.030 0.000 0.700 217 D CB -1.286 39.548 40.800 0.057 0.000 1.076 217 D HN 1.040 nan 8.370 nan 0.000 0.430 218 T N -3.088 111.438 114.554 -0.047 0.000 2.927 218 T HA 0.528 4.887 4.350 0.014 0.000 0.281 218 T C 0.247 175.016 174.700 0.116 0.000 0.998 218 T CA -0.969 61.119 62.100 -0.021 0.000 1.019 218 T CB 1.962 70.610 68.868 -0.366 0.000 1.061 218 T HN -0.097 nan 8.240 nan 0.000 0.518 219 Q N 1.023 120.954 119.800 0.219 0.000 2.243 219 Q HA 0.524 4.873 4.340 0.014 0.000 0.252 219 Q C -0.612 175.535 176.000 0.244 0.000 0.909 219 Q CA -0.559 55.388 55.803 0.240 0.000 0.922 219 Q CB 1.910 30.826 28.738 0.296 0.000 1.215 219 Q HN 0.588 nan 8.270 nan 0.000 0.427 220 V N 2.318 122.329 119.914 0.161 0.000 2.532 220 V HA 0.556 4.685 4.120 0.014 0.000 0.295 220 V C -0.112 176.058 176.094 0.128 0.000 1.041 220 V CA -0.635 61.698 62.300 0.054 0.000 0.926 220 V CB 2.081 33.881 31.823 -0.037 0.000 0.992 220 V HN 0.500 nan 8.190 nan 0.000 0.457 221 V N 5.094 125.100 119.914 0.153 0.000 2.760 221 V HA 0.472 4.600 4.120 0.014 0.000 0.309 221 V C -0.452 175.752 176.094 0.183 0.000 1.077 221 V CA -0.596 61.827 62.300 0.206 0.000 0.910 221 V CB 2.035 34.061 31.823 0.338 0.000 1.008 221 V HN 0.622 nan 8.190 nan 0.000 0.424 222 L N 3.406 124.734 121.223 0.175 0.000 2.334 222 L HA 0.804 5.153 4.340 0.014 0.000 0.277 222 L C 0.394 177.456 176.870 0.320 0.000 1.075 222 L CA -0.456 54.490 54.840 0.177 0.000 0.804 222 L CB 1.507 43.645 42.059 0.133 0.000 1.174 222 L HN 0.760 nan 8.230 nan 0.000 0.438 223 A N 3.817 126.797 122.820 0.268 0.000 2.273 223 A HA 0.607 4.935 4.320 0.014 0.000 0.315 223 A C -0.953 176.930 177.584 0.498 0.000 1.256 223 A CA -0.421 51.846 52.037 0.384 0.000 0.851 223 A CB 1.006 19.895 19.000 -0.185 0.000 1.172 223 A HN 0.503 nan 8.150 nan 0.000 0.508 224 L N 5.933 127.475 121.223 0.533 0.000 2.295 224 L HA 0.535 4.884 4.340 0.014 0.000 0.281 224 L C -2.381 174.661 176.870 0.285 0.000 1.018 224 L CA -2.190 52.856 54.840 0.343 0.000 0.841 224 L CB 1.432 43.628 42.059 0.229 0.000 1.218 224 L HN 0.430 nan 8.230 nan 0.000 0.424 225 P HA 0.147 nan 4.420 nan 0.000 0.279 225 P C -1.643 175.457 177.300 -0.334 0.000 1.239 225 P CA 0.011 62.823 63.100 -0.481 0.000 0.789 225 P CB 0.527 31.605 31.700 -1.037 0.000 0.933 226 Y N 1.061 121.220 120.300 -0.236 0.000 2.326 226 Y HA 0.263 4.821 4.550 0.014 0.000 0.331 226 Y C 0.372 176.206 175.900 -0.110 0.000 0.962 226 Y CA -0.450 57.595 58.100 -0.092 0.000 1.167 226 Y CB 1.349 39.804 38.460 -0.008 0.000 1.148 226 Y HN 0.246 nan 8.280 nan 0.000 0.463 227 D N 1.957 122.406 120.400 0.081 0.000 2.210 227 D HA 0.396 5.044 4.640 0.014 0.000 0.249 227 D C -0.531 175.950 176.300 0.301 0.000 1.062 227 D CA -0.031 54.061 54.000 0.153 0.000 0.891 227 D CB 1.656 42.573 40.800 0.196 0.000 1.186 227 D HN 0.370 nan 8.370 nan 0.000 0.432 228 T N 2.800 117.478 114.554 0.207 0.000 2.881 228 T HA 0.457 4.816 4.350 0.014 0.000 0.290 228 T C -2.615 171.974 174.700 -0.185 0.000 1.000 228 T CA -1.354 60.793 62.100 0.078 0.000 0.978 228 T CB 2.260 71.162 68.868 0.056 0.000 0.997 228 T HN 0.193 nan 8.240 nan 0.000 0.443 229 P HA 0.387 nan 4.420 nan 0.000 0.279 229 P C -1.058 175.930 177.300 -0.519 0.000 1.239 229 P CA -0.454 61.986 63.100 -1.100 0.000 0.789 229 P CB 1.020 31.717 31.700 -1.672 0.000 0.933 230 V N 4.972 124.639 119.914 -0.412 0.000 2.305 230 V HA 0.252 4.380 4.120 0.014 0.000 0.275 230 V C -2.029 173.939 176.094 -0.210 0.000 1.020 230 V CA -2.007 60.151 62.300 -0.237 0.000 0.811 230 V CB 1.350 33.091 31.823 -0.138 0.000 1.031 230 V HN 0.546 nan 8.190 nan 0.000 0.439 231 P HA 0.194 nan 4.420 nan 0.000 0.276 231 P C 0.410 177.667 177.300 -0.071 0.000 1.243 231 P CA 0.430 63.447 63.100 -0.138 0.000 0.768 231 P CB 1.492 33.112 31.700 -0.134 0.000 0.856 232 G N 2.950 111.723 108.800 -0.044 0.000 2.539 232 G HA2 0.115 4.084 3.960 0.014 0.000 0.258 232 G HA3 0.115 4.084 3.960 0.014 0.000 0.258 232 G C -1.090 173.827 174.900 0.027 0.000 1.202 232 G CA -0.404 44.698 45.100 0.003 0.000 0.851 232 G HN 0.491 nan 8.290 nan 0.000 0.556 233 Y N 2.646 122.912 120.300 -0.057 0.000 2.531 233 Y HA 0.213 4.771 4.550 0.014 0.000 0.347 233 Y C 1.025 176.892 175.900 -0.055 0.000 1.024 233 Y CA -0.884 57.178 58.100 -0.064 0.000 1.306 233 Y CB 0.145 38.564 38.460 -0.068 0.000 1.149 233 Y HN 0.482 nan 8.280 nan 0.000 0.527 234 M N 5.559 124.823 119.600 -0.561 0.000 2.259 234 M HA -0.350 4.139 4.480 0.014 0.000 0.188 234 M C -0.373 175.771 176.300 -0.260 0.000 0.665 234 M CA 1.631 56.632 55.300 -0.499 0.000 0.464 234 M CB -2.034 30.081 32.600 -0.807 0.000 1.063 234 M HN 0.907 nan 8.290 nan 0.000 0.912 235 N N -1.638 116.973 118.700 -0.149 0.000 2.261 235 N HA 0.166 4.915 4.740 0.014 0.000 0.241 235 N C 0.339 175.814 175.510 -0.059 0.000 1.374 235 N CA -0.103 52.897 53.050 -0.084 0.000 0.802 235 N CB 0.581 39.042 38.487 -0.045 0.000 1.339 235 N HN 0.303 nan 8.380 nan 0.000 0.498 236 N N -0.179 118.482 118.700 -0.064 0.000 2.946 236 N HA -0.197 4.551 4.740 0.014 0.000 0.228 236 N C -0.197 175.291 175.510 -0.036 0.000 0.873 236 N CA 2.168 55.190 53.050 -0.047 0.000 1.029 236 N CB -1.277 37.180 38.487 -0.050 0.000 1.047 236 N HN 0.683 nan 8.380 nan 0.000 0.612 237 T N 0.331 114.867 114.554 -0.029 0.000 2.875 237 T HA 0.608 4.967 4.350 0.014 0.000 0.284 237 T C -0.338 174.344 174.700 -0.030 0.000 0.995 237 T CA -0.416 61.673 62.100 -0.017 0.000 1.060 237 T CB 1.621 70.508 68.868 0.031 0.000 0.967 237 T HN -0.038 nan 8.240 nan 0.000 0.476 238 V N 5.895 125.790 119.914 -0.032 0.000 2.524 238 V HA 0.402 4.531 4.120 0.014 0.000 0.297 238 V C 0.150 176.207 176.094 -0.062 0.000 1.035 238 V CA -1.023 61.212 62.300 -0.108 0.000 0.867 238 V CB 1.377 33.088 31.823 -0.187 0.000 1.004 238 V HN 1.006 nan 8.190 nan 0.000 0.426 239 N N 1.787 120.432 118.700 -0.091 0.000 2.495 239 N HA 0.618 5.366 4.740 0.014 0.000 0.294 239 N C -0.492 175.007 175.510 -0.019 0.000 1.276 239 N CA -0.639 52.389 53.050 -0.037 0.000 0.973 239 N CB 0.970 39.409 38.487 -0.081 0.000 1.143 239 N HN 0.596 nan 8.380 nan 0.000 0.589 240 T N 0.935 115.486 114.554 -0.005 0.000 2.841 240 T HA 0.360 4.719 4.350 0.014 0.000 0.283 240 T C -0.839 173.868 174.700 0.011 0.000 1.000 240 T CA -0.477 61.703 62.100 0.133 0.000 0.977 240 T CB 1.093 70.159 68.868 0.330 0.000 0.979 240 T HN 0.327 nan 8.240 nan 0.000 0.446 241 M N 3.722 123.299 119.600 -0.039 0.000 2.043 241 M HA 0.501 4.989 4.480 0.014 0.000 0.322 241 M C -0.529 175.632 176.300 -0.231 0.000 0.962 241 M CA -0.756 54.435 55.300 -0.183 0.000 0.927 241 M CB 0.681 33.138 32.600 -0.238 0.000 1.466 241 M HN 0.458 nan 8.290 nan 0.000 0.412 242 R N 4.588 124.840 120.500 -0.414 0.000 2.207 242 R HA 0.516 4.865 4.340 0.014 0.000 0.334 242 R C -1.868 174.091 176.300 -0.570 0.000 1.013 242 R CA -0.527 55.228 56.100 -0.576 0.000 0.858 242 R CB 0.752 30.477 30.300 -0.959 0.000 1.094 242 R HN 0.643 nan 8.270 nan 0.000 0.457 243 L N 5.843 126.840 121.223 -0.377 0.000 2.313 243 L HA 0.459 4.807 4.340 0.014 0.000 0.283 243 L C -1.073 175.729 176.870 -0.113 0.000 1.013 243 L CA -0.553 54.181 54.840 -0.175 0.000 0.816 243 L CB 1.091 43.136 42.059 -0.023 0.000 1.236 243 L HN 0.621 nan 8.230 nan 0.000 0.419 244 W N 2.443 123.834 121.300 0.153 0.000 2.376 244 W HA 0.630 5.299 4.660 0.014 0.000 0.322 244 W C 0.296 177.056 176.519 0.402 0.000 1.160 244 W CA -0.425 57.058 57.345 0.230 0.000 1.218 244 W CB 1.436 30.901 29.460 0.009 0.000 1.205 244 W HN 0.571 nan 8.180 nan 0.000 0.559 245 S N 1.422 117.548 115.700 0.710 0.000 2.521 245 S HA 0.853 5.331 4.470 0.014 0.000 0.295 245 S C -0.594 174.340 174.600 0.557 0.000 1.098 245 S CA -1.098 57.415 58.200 0.522 0.000 0.999 245 S CB 1.522 64.943 63.200 0.369 0.000 1.034 245 S HN 0.722 nan 8.310 nan 0.000 0.483 246 A N 3.452 126.407 122.820 0.225 0.000 2.354 246 A HA 0.795 5.124 4.320 0.014 0.000 0.269 246 A C 0.050 177.712 177.584 0.132 0.000 1.109 246 A CA -0.633 51.456 52.037 0.086 0.000 0.800 246 A CB 0.276 19.057 19.000 -0.365 0.000 1.045 246 A HN 0.775 nan 8.150 nan 0.000 0.489 247 R N 0.441 121.037 120.500 0.159 0.000 2.651 247 R HA 0.599 4.948 4.340 0.014 0.000 0.278 247 R C -0.576 175.783 176.300 0.099 0.000 1.010 247 R CA -0.447 55.726 56.100 0.123 0.000 0.896 247 R CB 1.808 32.195 30.300 0.144 0.000 1.211 247 R HN 0.888 nan 8.270 nan 0.000 0.456 248 A N 4.173 127.036 122.820 0.072 0.000 2.388 248 A HA 0.535 4.863 4.320 0.014 0.000 0.257 248 A C -1.780 175.843 177.584 0.065 0.000 1.095 248 A CA -0.970 51.105 52.037 0.064 0.000 0.791 248 A CB -0.184 18.845 19.000 0.047 0.000 1.029 248 A HN 0.413 nan 8.150 nan 0.000 0.489 249 P HA 0.132 nan 4.420 nan 0.000 0.277 249 P C 0.127 177.456 177.300 0.049 0.000 1.271 249 P CA -0.403 62.726 63.100 0.049 0.000 0.795 249 P CB 0.802 32.525 31.700 0.038 0.000 1.101 250 N N 0.253 118.973 118.700 0.033 0.000 2.439 250 N HA -0.059 4.689 4.740 0.014 0.000 0.176 250 N C 0.219 175.753 175.510 0.040 0.000 1.029 250 N CA 0.275 53.349 53.050 0.039 0.000 0.886 250 N CB -0.819 37.685 38.487 0.028 0.000 1.057 250 N HN 0.401 nan 8.380 nan 0.000 0.437 251 D N 0.431 120.825 120.400 -0.010 0.000 2.278 251 D HA -0.066 4.582 4.640 0.014 0.000 0.234 251 D C 0.358 176.692 176.300 0.057 0.000 1.344 251 D CA 0.247 54.211 54.000 -0.061 0.000 0.892 251 D CB -0.138 40.518 40.800 -0.239 0.000 1.204 251 D HN 0.322 nan 8.370 nan 0.000 0.489 261 D N -0.494 119.950 120.400 0.074 0.000 2.289 261 D HA 0.035 4.683 4.640 0.014 0.000 0.207 261 D C 1.718 178.065 176.300 0.078 0.000 0.966 261 D CA 0.591 54.625 54.000 0.056 0.000 0.868 261 D CB 0.477 41.307 40.800 0.051 0.000 0.943 261 D HN 0.302 nan 8.370 nan 0.000 0.514 262 Y N 1.342 121.645 120.300 0.004 0.000 2.184 262 Y HA -0.126 4.433 4.550 0.014 0.000 0.290 262 Y C 2.132 178.039 175.900 0.010 0.000 1.129 262 Y CA 1.119 59.224 58.100 0.008 0.000 1.144 262 Y CB -0.344 38.121 38.460 0.009 0.000 0.995 262 Y HN -0.159 nan 8.280 nan 0.000 0.513 263 I N 0.712 121.187 120.570 -0.160 0.000 2.099 263 I HA -0.320 3.858 4.170 0.014 0.000 0.239 263 I C 2.400 178.398 176.117 -0.199 0.000 1.066 263 I CA 1.865 63.021 61.300 -0.241 0.000 1.324 263 I CB -1.545 36.430 38.000 -0.041 0.000 1.037 263 I HN 0.313 nan 8.210 nan 0.000 0.401 264 Q N 1.063 120.805 119.800 -0.098 0.000 2.152 264 Q HA -0.161 4.187 4.340 0.014 0.000 0.206 264 Q C 2.167 178.114 176.000 -0.087 0.000 0.985 264 Q CA 2.341 58.102 55.803 -0.070 0.000 0.863 264 Q CB -0.389 28.329 28.738 -0.033 0.000 0.904 264 Q HN 0.506 nan 8.270 nan 0.000 0.422 265 A N -1.057 121.698 122.820 -0.109 0.000 1.930 265 A HA -0.084 4.244 4.320 0.014 0.000 0.217 265 A C 2.228 179.736 177.584 -0.126 0.000 1.175 265 A CA 1.461 53.443 52.037 -0.091 0.000 0.627 265 A CB -0.548 18.418 19.000 -0.057 0.000 0.815 265 A HN 0.260 nan 8.150 nan 0.000 0.443 266 V N -0.479 119.290 119.914 -0.242 0.000 2.453 266 V HA -0.169 3.960 4.120 0.014 0.000 0.247 266 V C 2.443 178.463 176.094 -0.123 0.000 1.048 266 V CA 1.579 63.747 62.300 -0.220 0.000 1.049 266 V CB -0.618 30.979 31.823 -0.377 0.000 0.672 266 V HN 0.457 nan 8.190 nan 0.000 0.457 267 L N -0.095 121.058 121.223 -0.116 0.000 2.056 267 L HA -0.107 4.241 4.340 0.014 0.000 0.207 267 L C 2.054 178.899 176.870 -0.042 0.000 1.078 267 L CA 1.735 56.536 54.840 -0.065 0.000 0.749 267 L CB -0.918 41.107 42.059 -0.057 0.000 0.901 267 L HN 0.291 nan 8.230 nan 0.000 0.433 268 D N -0.505 119.868 120.400 -0.045 0.000 2.354 268 D HA -0.151 4.498 4.640 0.014 0.000 0.216 268 D C 2.154 178.444 176.300 -0.017 0.000 0.970 268 D CA 0.522 54.505 54.000 -0.028 0.000 0.905 268 D CB -0.069 40.715 40.800 -0.028 0.000 0.903 268 D HN 0.286 nan 8.370 nan 0.000 0.508 269 R N 0.366 120.855 120.500 -0.019 0.000 2.241 269 R HA -0.043 4.305 4.340 0.014 0.000 0.224 269 R C 1.554 177.856 176.300 0.002 0.000 1.101 269 R CA 0.412 56.511 56.100 -0.003 0.000 0.995 269 R CB -0.006 30.293 30.300 -0.002 0.000 0.870 269 R HN 0.138 nan 8.270 nan 0.000 0.463 270 N N 0.808 119.508 118.700 -0.001 0.000 2.223 270 N HA -0.136 4.612 4.740 0.014 0.000 0.185 270 N C 1.698 177.211 175.510 0.005 0.000 1.016 270 N CA 1.012 54.067 53.050 0.008 0.000 0.863 270 N CB -0.159 38.333 38.487 0.009 0.000 0.983 270 N HN 0.227 nan 8.380 nan 0.000 0.429 271 L N 0.637 121.858 121.223 -0.003 0.000 1.989 271 L HA -0.182 4.167 4.340 0.014 0.000 0.211 271 L C 2.470 179.324 176.870 -0.026 0.000 1.071 271 L CA 1.541 56.375 54.840 -0.009 0.000 0.749 271 L CB -0.727 41.325 42.059 -0.011 0.000 0.890 271 L HN 0.127 nan 8.230 nan 0.000 0.431 272 A N -0.024 122.783 122.820 -0.021 0.000 1.883 272 A HA -0.233 4.096 4.320 0.014 0.000 0.217 272 A C 2.107 179.657 177.584 -0.057 0.000 1.186 272 A CA 1.847 53.861 52.037 -0.037 0.000 0.624 272 A CB -0.547 18.458 19.000 0.009 0.000 0.822 272 A HN 0.490 nan 8.150 nan 0.000 0.444 273 E N -0.322 119.865 120.200 -0.021 0.000 2.418 273 E HA -0.081 4.278 4.350 0.014 0.000 0.197 273 E C 1.373 177.963 176.600 -0.016 0.000 1.026 273 E CA 0.450 56.842 56.400 -0.014 0.000 0.862 273 E CB -0.259 29.453 29.700 0.020 0.000 0.799 273 E HN 0.711 nan 8.360 nan 0.000 0.518 274 N N 0.337 119.027 118.700 -0.016 0.000 2.512 274 N HA -0.040 4.708 4.740 0.014 0.000 0.183 274 N C 1.563 177.074 175.510 0.001 0.000 1.073 274 N CA 0.107 53.166 53.050 0.016 0.000 0.911 274 N CB 0.108 38.607 38.487 0.020 0.000 0.964 274 N HN 0.142 nan 8.380 nan 0.000 0.447 275 I N 0.361 120.869 120.570 -0.103 0.000 2.264 275 I HA -0.224 3.954 4.170 0.014 0.000 0.248 275 I C 1.522 177.583 176.117 -0.094 0.000 1.111 275 I CA 1.121 62.319 61.300 -0.170 0.000 1.382 275 I CB -0.082 37.662 38.000 -0.428 0.000 1.060 275 I HN 0.150 nan 8.210 nan 0.000 0.418 276 S N -0.651 114.992 115.700 -0.094 0.000 2.588 276 S HA 0.230 4.709 4.470 0.014 0.000 0.245 276 S C 1.339 176.080 174.600 0.234 0.000 1.021 276 S CA -0.648 57.593 58.200 0.068 0.000 1.006 276 S CB 0.351 63.545 63.200 -0.011 0.000 0.830 276 S HN 0.177 nan 8.310 nan 0.000 0.468 277 R N 1.890 122.531 120.500 0.235 0.000 2.057 277 R HA 0.157 4.506 4.340 0.014 0.000 0.229 277 R C 0.292 176.851 176.300 0.431 0.000 1.136 277 R CA 1.555 57.829 56.100 0.291 0.000 0.952 277 R CB -0.319 30.119 30.300 0.230 0.000 0.848 277 R HN 0.444 nan 8.270 nan 0.000 0.430 278 V N 0.277 120.410 119.914 0.364 0.000 2.962 278 V HA 0.378 4.506 4.120 0.014 0.000 0.313 278 V C -0.838 175.256 176.094 -0.001 0.000 1.099 278 V CA -1.495 60.947 62.300 0.237 0.000 0.971 278 V CB 1.721 33.581 31.823 0.062 0.000 1.028 278 V HN 0.127 nan 8.190 nan 0.000 0.430 279 L N 2.247 123.239 121.223 -0.385 0.000 2.326 279 L HA 0.563 4.911 4.340 0.014 0.000 0.278 279 L C -0.777 175.965 176.870 -0.212 0.000 1.092 279 L CA 0.101 54.441 54.840 -0.833 0.000 0.810 279 L CB 0.603 42.131 42.059 -0.885 0.000 1.153 279 L HN 0.617 nan 8.230 nan 0.000 0.439 280 Y N 6.137 126.333 120.300 -0.174 0.000 2.496 280 Y HA 0.247 4.806 4.550 0.014 0.000 0.334 280 Y C -1.517 174.383 175.900 0.001 0.000 1.080 280 Y CA -1.723 56.363 58.100 -0.023 0.000 1.355 280 Y CB 0.386 38.863 38.460 0.029 0.000 1.193 280 Y HN 0.540 nan 8.280 nan 0.000 0.523 281 P HA -0.006 nan 4.420 nan 0.000 0.254 281 P C -0.896 176.537 177.300 0.222 0.000 1.631 281 P CA 0.207 63.415 63.100 0.180 0.000 0.861 281 P CB 0.001 31.898 31.700 0.329 0.000 1.663 282 N N 1.274 120.118 118.700 0.239 0.000 2.408 282 N HA 0.192 4.940 4.740 0.014 0.000 0.280 282 N C -0.801 174.882 175.510 0.289 0.000 1.002 282 N CA -0.110 53.116 53.050 0.293 0.000 0.907 282 N CB 1.531 40.244 38.487 0.376 0.000 1.161 282 N HN 0.087 nan 8.380 nan 0.000 0.488 283 D N 0.702 121.314 120.400 0.353 0.000 2.193 283 D HA 0.241 4.889 4.640 0.014 0.000 0.244 283 D C -0.504 176.055 176.300 0.432 0.000 1.064 283 D CA -0.316 53.913 54.000 0.381 0.000 0.845 283 D CB 0.417 41.507 40.800 0.483 0.000 1.148 283 D HN 0.372 nan 8.370 nan 0.000 0.464 284 N N 2.161 121.027 118.700 0.276 0.000 2.699 284 N HA -0.251 4.498 4.740 0.014 0.000 0.256 284 N C -1.512 174.191 175.510 0.323 0.000 0.993 284 N CA 0.740 53.913 53.050 0.205 0.000 0.759 284 N CB -0.797 37.717 38.487 0.046 0.000 0.906 284 N HN 0.312 nan 8.380 nan 0.000 0.541 285 F N 0.440 120.483 119.950 0.155 0.000 2.622 285 F HA 0.457 4.993 4.527 0.014 0.000 0.318 285 F C -1.533 174.356 175.800 0.150 0.000 1.135 285 F CA -1.427 56.647 58.000 0.123 0.000 1.015 285 F CB 0.920 39.966 39.000 0.077 0.000 1.275 285 F HN -0.044 nan 8.300 nan 0.000 0.457 286 F N 5.777 125.212 119.950 -0.859 0.000 2.410 286 F HA 0.518 5.053 4.527 0.014 0.000 0.349 286 F C -0.528 174.778 175.800 -0.822 0.000 1.117 286 F CA -0.416 57.182 58.000 -0.671 0.000 1.104 286 F CB 0.937 39.607 39.000 -0.549 0.000 1.122 286 F HN 0.579 nan 8.300 nan 0.000 0.483 287 E N 3.870 123.476 120.200 -0.990 0.000 2.207 287 E HA 0.329 4.688 4.350 0.014 0.000 0.250 287 E C 0.120 176.079 176.600 -1.068 0.000 0.890 287 E CA -0.604 55.343 56.400 -0.755 0.000 0.749 287 E CB 0.925 30.585 29.700 -0.067 0.000 1.193 287 E HN 0.946 nan 8.360 nan 0.000 0.423 288 G N 5.020 112.979 108.800 -1.402 0.000 3.180 288 G HA2 -0.031 3.937 3.960 0.014 0.000 0.252 288 G HA3 -0.031 3.937 3.960 0.014 0.000 0.252 288 G C 0.100 174.927 174.900 -0.121 0.000 0.871 288 G CA -0.059 44.477 45.100 -0.941 0.000 1.979 288 G HN 0.180 nan 8.290 nan 0.000 0.624 289 K N 0.562 120.968 120.400 0.011 0.000 2.172 289 K HA 0.153 4.482 4.320 0.014 0.000 0.276 289 K C 1.047 177.802 176.600 0.260 0.000 1.013 289 K CA -0.540 55.843 56.287 0.161 0.000 0.913 289 K CB 2.116 34.741 32.500 0.209 0.000 1.055 289 K HN 0.482 nan 8.250 nan 0.000 0.461 290 E N 2.148 122.466 120.200 0.197 0.000 2.070 290 E HA -0.247 4.112 4.350 0.014 0.000 0.197 290 E C 1.543 178.179 176.600 0.060 0.000 1.004 290 E CA 1.253 57.723 56.400 0.118 0.000 0.805 290 E CB 0.090 29.853 29.700 0.105 0.000 0.744 290 E HN 0.415 nan 8.360 nan 0.000 0.451 291 L N 1.424 122.716 121.223 0.114 0.000 2.081 291 L HA -0.202 4.146 4.340 0.014 0.000 0.212 291 L C 2.443 179.363 176.870 0.083 0.000 1.080 291 L CA 2.060 56.971 54.840 0.118 0.000 0.754 291 L CB -0.675 41.524 42.059 0.233 0.000 0.893 291 L HN 0.065 nan 8.230 nan 0.000 0.433 292 R N -0.596 119.886 120.500 -0.031 0.000 2.075 292 R HA -0.161 4.187 4.340 0.014 0.000 0.232 292 R C 2.129 178.403 176.300 -0.043 0.000 1.126 292 R CA 1.891 57.862 56.100 -0.216 0.000 0.963 292 R CB -1.032 28.916 30.300 -0.585 0.000 0.858 292 R HN 0.421 nan 8.270 nan 0.000 0.435 293 L N 0.964 122.080 121.223 -0.178 0.000 2.046 293 L HA -0.078 4.270 4.340 0.014 0.000 0.208 293 L C 1.669 178.443 176.870 -0.159 0.000 1.077 293 L CA 1.908 56.415 54.840 -0.555 0.000 0.747 293 L CB -0.432 41.065 42.059 -0.937 0.000 0.896 293 L HN 0.167 nan 8.230 nan 0.000 0.432 294 K N -0.900 119.480 120.400 -0.033 0.000 2.097 294 K HA -0.201 4.128 4.320 0.014 0.000 0.206 294 K C 2.054 178.813 176.600 0.265 0.000 1.049 294 K CA 1.824 58.188 56.287 0.130 0.000 0.933 294 K CB -0.167 32.256 32.500 -0.127 0.000 0.717 294 K HN 0.558 nan 8.250 nan 0.000 0.442 295 Q N 0.627 120.537 119.800 0.183 0.000 2.046 295 Q HA -0.159 4.190 4.340 0.014 0.000 0.200 295 Q C 1.963 178.154 176.000 0.318 0.000 0.975 295 Q CA 1.294 57.268 55.803 0.285 0.000 0.836 295 Q CB -0.041 28.875 28.738 0.296 0.000 0.896 295 Q HN 0.385 nan 8.270 nan 0.000 0.428 296 E N 0.160 120.482 120.200 0.204 0.000 2.058 296 E HA -0.234 4.124 4.350 0.014 0.000 0.194 296 E C 1.829 178.514 176.600 0.142 0.000 0.997 296 E CA 1.273 57.771 56.400 0.162 0.000 0.801 296 E CB -0.239 29.514 29.700 0.087 0.000 0.746 296 E HN 0.325 nan 8.360 nan 0.000 0.450 297 Y N 0.865 121.177 120.300 0.020 0.000 2.163 297 Y HA -0.234 4.325 4.550 0.014 0.000 0.288 297 Y C 2.044 177.966 175.900 0.038 0.000 1.136 297 Y CA 1.091 59.160 58.100 -0.052 0.000 1.147 297 Y CB -0.579 37.813 38.460 -0.112 0.000 0.987 297 Y HN 0.005 nan 8.280 nan 0.000 0.509 298 F N 0.091 120.047 119.950 0.009 0.000 2.032 298 F HA -0.341 4.194 4.527 0.014 0.000 0.297 298 F C 2.532 178.195 175.800 -0.228 0.000 1.125 298 F CA 2.370 60.344 58.000 -0.042 0.000 1.202 298 F CB -1.305 37.793 39.000 0.164 0.000 0.958 298 F HN -0.053 nan 8.300 nan 0.000 0.491 299 V N -0.347 119.488 119.914 -0.132 0.000 2.490 299 V HA -0.218 3.911 4.120 0.014 0.000 0.250 299 V C 2.230 178.133 176.094 -0.318 0.000 1.061 299 V CA 1.797 63.948 62.300 -0.248 0.000 1.064 299 V CB -0.395 31.512 31.823 0.139 0.000 0.670 299 V HN 0.322 nan 8.190 nan 0.000 0.461 300 V N 0.092 119.845 119.914 -0.268 0.000 2.358 300 V HA -0.158 3.971 4.120 0.014 0.000 0.246 300 V C 2.695 178.529 176.094 -0.433 0.000 1.047 300 V CA 1.963 64.104 62.300 -0.265 0.000 1.035 300 V CB -0.879 30.848 31.823 -0.159 0.000 0.658 300 V HN 0.640 nan 8.190 nan 0.000 0.452 301 A N 0.034 122.432 122.820 -0.703 0.000 1.845 301 A HA -0.123 4.206 4.320 0.014 0.000 0.215 301 A C 2.456 179.667 177.584 -0.621 0.000 1.195 301 A CA 2.188 53.815 52.037 -0.682 0.000 0.616 301 A CB -1.077 17.359 19.000 -0.941 0.000 0.832 301 A HN 0.556 nan 8.150 nan 0.000 0.443 302 A N -0.930 121.356 122.820 -0.891 0.000 1.873 302 A HA -0.172 4.157 4.320 0.014 0.000 0.218 302 A C 2.339 179.373 177.584 -0.916 0.000 1.193 302 A CA 2.712 54.015 52.037 -1.224 0.000 0.629 302 A CB -1.593 16.048 19.000 -2.264 0.000 0.826 302 A HN 0.468 nan 8.150 nan 0.000 0.447 303 T N 0.606 114.742 114.554 -0.697 0.000 2.607 303 T HA -0.146 4.213 4.350 0.014 0.000 0.267 303 T C 1.824 176.234 174.700 -0.484 0.000 1.049 303 T CA 1.508 63.356 62.100 -0.420 0.000 1.162 303 T CB -0.378 68.281 68.868 -0.348 0.000 0.863 303 T HN 0.230 nan 8.240 nan 0.000 0.424 304 L N 1.210 122.206 121.223 -0.377 0.000 2.042 304 L HA -0.150 4.198 4.340 0.014 0.000 0.210 304 L C 2.672 179.403 176.870 -0.232 0.000 1.076 304 L CA 1.842 56.510 54.840 -0.287 0.000 0.749 304 L CB -1.334 40.600 42.059 -0.208 0.000 0.893 304 L HN 0.469 nan 8.230 nan 0.000 0.432 305 Q N -0.619 119.045 119.800 -0.226 0.000 2.020 305 Q HA -0.258 4.091 4.340 0.014 0.000 0.202 305 Q C 1.914 177.883 176.000 -0.051 0.000 0.982 305 Q CA 1.897 57.625 55.803 -0.125 0.000 0.838 305 Q CB -0.151 28.499 28.738 -0.147 0.000 0.899 305 Q HN 0.400 nan 8.270 nan 0.000 0.423 306 D N 0.439 120.809 120.400 -0.050 0.000 2.149 306 D HA -0.130 4.518 4.640 0.014 0.000 0.198 306 D C 1.634 177.910 176.300 -0.041 0.000 0.990 306 D CA 0.942 54.986 54.000 0.074 0.000 0.839 306 D CB -0.036 40.971 40.800 0.346 0.000 0.948 306 D HN 0.183 nan 8.370 nan 0.000 0.460 307 I N 0.159 120.591 120.570 -0.230 0.000 2.252 307 I HA -0.210 3.968 4.170 0.014 0.000 0.245 307 I C 2.020 178.163 176.117 0.043 0.000 1.102 307 I CA 0.386 61.496 61.300 -0.317 0.000 1.385 307 I CB -0.076 37.550 38.000 -0.623 0.000 1.064 307 I HN 0.095 nan 8.210 nan 0.000 0.414 308 I N 0.777 121.412 120.570 0.109 0.000 2.286 308 I HA -0.267 3.912 4.170 0.014 0.000 0.248 308 I C 2.649 178.959 176.117 0.321 0.000 1.115 308 I CA 1.427 62.913 61.300 0.309 0.000 1.392 308 I CB -1.223 36.896 38.000 0.198 0.000 1.065 308 I HN 0.333 nan 8.210 nan 0.000 0.418 309 R N 1.298 121.913 120.500 0.192 0.000 2.070 309 R HA -0.195 4.154 4.340 0.014 0.000 0.233 309 R C 2.520 178.927 176.300 0.179 0.000 1.137 309 R CA 1.659 57.868 56.100 0.182 0.000 0.945 309 R CB -0.317 30.085 30.300 0.170 0.000 0.845 309 R HN 0.164 nan 8.270 nan 0.000 0.430 310 R N -0.482 120.108 120.500 0.149 0.000 2.081 310 R HA -0.184 4.164 4.340 0.014 0.000 0.235 310 R C 2.184 178.600 176.300 0.192 0.000 1.131 310 R CA 1.819 58.004 56.100 0.141 0.000 0.960 310 R CB -0.482 29.864 30.300 0.078 0.000 0.856 310 R HN 0.338 nan 8.270 nan 0.000 0.436 311 F N 1.597 121.614 119.950 0.112 0.000 2.126 311 F HA -0.158 4.377 4.527 0.014 0.000 0.299 311 F C 1.662 177.521 175.800 0.098 0.000 1.096 311 F CA 1.693 59.770 58.000 0.128 0.000 1.255 311 F CB -0.029 39.127 39.000 0.260 0.000 0.997 311 F HN -0.089 nan 8.300 nan 0.000 0.479 312 K N -0.106 120.267 120.400 -0.045 0.000 2.217 312 K HA 0.068 4.396 4.320 0.014 0.000 0.202 312 K C 1.878 178.415 176.600 -0.106 0.000 1.051 312 K CA 0.841 57.018 56.287 -0.183 0.000 0.952 312 K CB -0.300 32.211 32.500 0.017 0.000 0.736 312 K HN 0.313 nan 8.250 nan 0.000 0.453 313 A N 1.480 124.309 122.820 0.015 0.000 2.278 313 A HA 0.034 4.362 4.320 0.014 0.000 0.212 313 A C 0.869 178.537 177.584 0.139 0.000 1.213 313 A CA -0.032 52.060 52.037 0.091 0.000 0.840 313 A CB -0.169 18.923 19.000 0.153 0.000 0.866 313 A HN 0.270 nan 8.150 nan 0.000 0.489 314 S N -1.198 114.502 115.700 0.001 0.000 2.738 314 S HA 0.408 4.886 4.470 0.014 0.000 0.284 314 S C 0.734 175.257 174.600 -0.130 0.000 1.146 314 S CA -0.702 57.470 58.200 -0.047 0.000 0.997 314 S CB 0.854 64.030 63.200 -0.040 0.000 1.081 314 S HN 0.136 nan 8.310 nan 0.000 0.553 315 K N -0.503 119.809 120.400 -0.145 0.000 2.211 315 K HA 0.141 4.470 4.320 0.014 0.000 0.203 315 K C 0.011 176.552 176.600 -0.098 0.000 1.050 315 K CA 0.750 56.969 56.287 -0.113 0.000 0.945 315 K CB -0.551 31.902 32.500 -0.079 0.000 0.732 315 K HN 0.522 nan 8.250 nan 0.000 0.451 322 A N 1.328 124.156 122.820 0.013 0.000 1.908 322 A HA 0.346 4.674 4.320 0.014 0.000 0.218 322 A C 1.838 179.437 177.584 0.024 0.000 1.181 322 A CA 1.932 53.979 52.037 0.017 0.000 0.627 322 A CB -0.223 18.790 19.000 0.022 0.000 0.818 322 A HN 1.771 nan 8.150 nan 0.000 0.445 323 G N -0.993 107.827 108.800 0.033 0.000 2.857 323 G HA2 0.392 4.361 3.960 0.014 0.000 0.326 323 G HA3 0.392 4.361 3.960 0.014 0.000 0.326 323 G C 0.262 175.185 174.900 0.039 0.000 0.950 323 G CA 0.592 45.724 45.100 0.053 0.000 1.400 323 G HN 0.192 nan 8.290 nan 0.000 0.473 324 T N 1.586 116.150 114.554 0.016 0.000 3.105 324 T HA 0.159 4.517 4.350 0.014 0.000 0.253 324 T C 1.798 176.493 174.700 -0.007 0.000 1.047 324 T CA 0.443 62.543 62.100 0.000 0.000 0.944 324 T CB 0.052 68.907 68.868 -0.022 0.000 1.016 324 T HN 0.113 nan 8.240 nan 0.000 0.544 325 V N -0.044 119.863 119.914 -0.013 0.000 2.423 325 V HA 0.220 4.348 4.120 0.014 0.000 0.233 325 V C 1.808 177.969 176.094 0.111 0.000 1.067 325 V CA 0.820 63.084 62.300 -0.060 0.000 1.073 325 V CB -1.035 30.620 31.823 -0.280 0.000 0.715 325 V HN 0.427 nan 8.190 nan 0.000 0.485 326 F N 1.371 121.458 119.950 0.228 0.000 2.411 326 F HA -0.185 4.351 4.527 0.014 0.000 0.299 326 F C 2.033 177.841 175.800 0.013 0.000 1.077 326 F CA 1.334 59.377 58.000 0.073 0.000 1.439 326 F CB -0.706 38.098 39.000 -0.326 0.000 1.085 326 F HN 0.216 nan 8.300 nan 0.000 0.564 327 D N 0.303 120.806 120.400 0.172 0.000 2.182 327 D HA -0.149 4.499 4.640 0.014 0.000 0.201 327 D C 2.171 178.560 176.300 0.147 0.000 0.986 327 D CA 1.323 55.387 54.000 0.107 0.000 0.847 327 D CB -0.246 40.597 40.800 0.071 0.000 0.942 327 D HN 0.269 nan 8.370 nan 0.000 0.467 328 A N -0.833 122.132 122.820 0.241 0.000 2.275 328 A HA 0.082 4.410 4.320 0.014 0.000 0.212 328 A C 1.639 179.383 177.584 0.267 0.000 1.201 328 A CA -0.290 51.920 52.037 0.289 0.000 0.843 328 A CB -0.666 18.584 19.000 0.416 0.000 0.873 328 A HN 0.169 nan 8.150 nan 0.000 0.492 329 F N 2.078 122.011 119.950 -0.028 0.000 2.063 329 F HA -0.140 4.395 4.527 0.014 0.000 0.298 329 F C -0.871 174.819 175.800 -0.183 0.000 1.109 329 F CA 2.415 60.186 58.000 -0.381 0.000 1.212 329 F CB -0.878 37.894 39.000 -0.380 0.000 0.973 329 F HN 0.188 nan 8.300 nan 0.000 0.480 330 P HA -0.107 nan 4.420 nan 0.000 0.225 330 P C 0.556 177.763 177.300 -0.154 0.000 1.148 330 P CA 1.620 64.649 63.100 -0.119 0.000 0.779 330 P CB -0.049 31.627 31.700 -0.040 0.000 0.780 331 D N -1.651 118.692 120.400 -0.095 0.000 2.349 331 D HA 0.037 4.685 4.640 0.014 0.000 0.214 331 D C 1.524 177.725 176.300 -0.165 0.000 1.063 331 D CA 0.494 54.443 54.000 -0.085 0.000 0.847 331 D CB 0.362 41.166 40.800 0.008 0.000 0.933 331 D HN 0.201 nan 8.370 nan 0.000 0.513 332 Q N -0.207 119.463 119.800 -0.216 0.000 2.288 332 Q HA 0.173 4.522 4.340 0.014 0.000 0.256 332 Q C 0.036 175.857 176.000 -0.298 0.000 0.835 332 Q CA 0.338 55.991 55.803 -0.250 0.000 0.958 332 Q CB 2.487 31.187 28.738 -0.064 0.000 1.125 332 Q HN 0.033 nan 8.270 nan 0.000 0.513 333 V N 0.608 120.242 119.914 -0.466 0.000 2.735 333 V HA 0.829 4.957 4.120 0.014 0.000 0.310 333 V C -0.986 174.899 176.094 -0.348 0.000 1.061 333 V CA -0.930 61.087 62.300 -0.471 0.000 0.913 333 V CB 1.914 33.137 31.823 -1.001 0.000 1.005 333 V HN 0.105 nan 8.190 nan 0.000 0.428 334 A N 5.203 127.899 122.820 -0.207 0.000 2.414 334 A HA 0.835 5.164 4.320 0.014 0.000 0.286 334 A C -1.068 176.470 177.584 -0.077 0.000 1.073 334 A CA -0.324 51.630 52.037 -0.137 0.000 0.727 334 A CB 0.812 19.714 19.000 -0.164 0.000 1.215 334 A HN 0.736 nan 8.150 nan 0.000 0.430 335 I N 2.163 122.733 120.570 0.001 0.000 2.354 335 I HA 0.280 4.459 4.170 0.014 0.000 0.286 335 I C -0.071 176.223 176.117 0.294 0.000 1.007 335 I CA -0.616 60.762 61.300 0.130 0.000 1.167 335 I CB 1.772 39.813 38.000 0.067 0.000 1.320 335 I HN 0.708 nan 8.210 nan 0.000 0.458 336 Q N 6.818 126.779 119.800 0.269 0.000 2.296 336 Q HA 0.434 4.782 4.340 0.014 0.000 0.257 336 Q C -1.154 174.938 176.000 0.153 0.000 0.942 336 Q CA -0.132 55.892 55.803 0.368 0.000 0.939 336 Q CB 1.124 30.221 28.738 0.598 0.000 1.198 336 Q HN 0.576 nan 8.270 nan 0.000 0.429 337 L N 4.111 125.454 121.223 0.201 0.000 2.261 337 L HA 0.340 4.688 4.340 0.014 0.000 0.289 337 L C 0.064 176.990 176.870 0.093 0.000 1.059 337 L CA -0.678 54.234 54.840 0.120 0.000 0.816 337 L CB 0.497 42.644 42.059 0.146 0.000 1.191 337 L HN 0.590 nan 8.230 nan 0.000 0.431 338 N N 5.005 123.667 118.700 -0.063 0.000 2.448 338 N HA 0.053 4.801 4.740 0.014 0.000 0.250 338 N C -0.089 175.472 175.510 0.085 0.000 1.136 338 N CA 0.508 53.573 53.050 0.025 0.000 0.953 338 N CB -0.004 38.392 38.487 -0.152 0.000 1.251 338 N HN 0.667 nan 8.380 nan 0.000 0.502 339 D N 0.161 120.707 120.400 0.243 0.000 4.808 339 D HA -0.226 4.422 4.640 0.014 0.000 0.304 339 D C 0.050 176.491 176.300 0.235 0.000 2.360 339 D CA 1.424 55.555 54.000 0.218 0.000 1.222 339 D CB -0.476 40.176 40.800 -0.247 0.000 1.085 339 D HN 0.532 nan 8.370 nan 0.000 1.266 340 T N -2.102 112.551 114.554 0.164 0.000 3.129 340 T HA 0.102 4.460 4.350 0.014 0.000 0.251 340 T C 1.582 176.389 174.700 0.177 0.000 1.117 340 T CA 1.244 63.388 62.100 0.073 0.000 1.034 340 T CB -0.489 68.383 68.868 0.007 0.000 0.968 340 T HN 0.464 nan 8.240 nan 0.000 0.526 341 H N 2.466 121.622 119.070 0.142 0.000 2.352 341 H HA -0.003 4.561 4.556 0.014 0.000 0.299 341 H C -0.784 174.617 175.328 0.121 0.000 1.097 341 H CA 0.954 57.099 56.048 0.161 0.000 1.311 341 H CB -0.600 29.265 29.762 0.170 0.000 1.377 341 H HN 0.442 nan 8.280 nan 0.000 0.504 342 P HA 0.226 nan 4.420 nan 0.000 0.262 342 P C 0.526 177.808 177.300 -0.030 0.000 1.651 342 P CA 0.364 63.516 63.100 0.087 0.000 1.119 342 P CB 0.549 32.304 31.700 0.091 0.000 1.552 343 A N 0.875 123.670 122.820 -0.041 0.000 1.986 343 A HA -0.165 4.163 4.320 0.014 0.000 0.220 343 A C 2.057 179.535 177.584 -0.176 0.000 1.171 343 A CA 1.253 53.196 52.037 -0.157 0.000 0.640 343 A CB -1.466 17.455 19.000 -0.131 0.000 0.811 343 A HN 0.238 nan 8.150 nan 0.000 0.451 344 L N -0.871 120.291 121.223 -0.102 0.000 2.447 344 L HA -0.226 4.122 4.340 0.014 0.000 0.225 344 L C 2.907 179.733 176.870 -0.072 0.000 1.148 344 L CA 0.589 55.379 54.840 -0.082 0.000 0.808 344 L CB -0.507 41.520 42.059 -0.054 0.000 0.928 344 L HN 0.484 nan 8.230 nan 0.000 0.448 345 A N 0.440 123.167 122.820 -0.156 0.000 1.972 345 A HA -0.188 4.140 4.320 0.014 0.000 0.219 345 A C 2.179 179.608 177.584 -0.258 0.000 1.169 345 A CA 1.432 53.371 52.037 -0.164 0.000 0.635 345 A CB -0.451 18.446 19.000 -0.171 0.000 0.810 345 A HN 0.367 nan 8.150 nan 0.000 0.446 346 I N 0.356 120.601 120.570 -0.541 0.000 2.113 346 I HA -0.150 4.029 4.170 0.014 0.000 0.238 346 I C -0.341 175.751 176.117 -0.041 0.000 1.070 346 I CA 1.594 62.653 61.300 -0.401 0.000 1.332 346 I CB -1.042 36.730 38.000 -0.380 0.000 1.044 346 I HN 0.249 nan 8.210 nan 0.000 0.402 347 P HA -0.173 nan 4.420 nan 0.000 0.226 347 P C 1.191 178.496 177.300 0.008 0.000 1.153 347 P CA 1.449 64.559 63.100 0.017 0.000 0.777 347 P CB 0.038 31.758 31.700 0.034 0.000 0.794 348 E N 0.411 120.676 120.200 0.109 0.000 2.107 348 E HA -0.133 4.226 4.350 0.014 0.000 0.191 348 E C 1.868 178.436 176.600 -0.053 0.000 0.982 348 E CA 0.617 57.114 56.400 0.163 0.000 0.809 348 E CB -1.167 28.648 29.700 0.191 0.000 0.756 348 E HN 0.057 nan 8.360 nan 0.000 0.459 349 L N -0.194 120.969 121.223 -0.100 0.000 2.156 349 L HA 0.015 4.363 4.340 0.014 0.000 0.208 349 L C 1.954 178.530 176.870 -0.489 0.000 1.095 349 L CA 1.431 56.039 54.840 -0.385 0.000 0.770 349 L CB -0.335 41.561 42.059 -0.272 0.000 0.914 349 L HN 0.190 nan 8.230 nan 0.000 0.439 350 M N -0.872 118.599 119.600 -0.215 0.000 2.200 350 M HA -0.140 4.348 4.480 0.014 0.000 0.265 350 M C 2.392 178.601 176.300 -0.152 0.000 1.066 350 M CA 1.318 56.517 55.300 -0.168 0.000 1.127 350 M CB -1.039 31.477 32.600 -0.140 0.000 1.379 350 M HN 0.321 nan 8.290 nan 0.000 0.420 351 R N 0.607 121.002 120.500 -0.176 0.000 2.073 351 R HA -0.099 4.250 4.340 0.014 0.000 0.234 351 R C 2.087 178.323 176.300 -0.106 0.000 1.134 351 R CA 1.366 57.366 56.100 -0.166 0.000 0.952 351 R CB -0.188 29.950 30.300 -0.270 0.000 0.850 351 R HN 0.281 nan 8.270 nan 0.000 0.433 352 I N -0.010 120.467 120.570 -0.155 0.000 2.142 352 I HA -0.293 3.886 4.170 0.014 0.000 0.240 352 I C 2.131 178.193 176.117 -0.092 0.000 1.078 352 I CA 1.489 62.703 61.300 -0.143 0.000 1.343 352 I CB -0.399 37.452 38.000 -0.249 0.000 1.046 352 I HN 0.215 nan 8.210 nan 0.000 0.405 353 F N 0.281 120.039 119.950 -0.321 0.000 2.095 353 F HA -0.267 4.268 4.527 0.014 0.000 0.298 353 F C 2.479 178.133 175.800 -0.243 0.000 1.104 353 F CA 1.021 58.779 58.000 -0.404 0.000 1.232 353 F CB -0.221 38.525 39.000 -0.424 0.000 0.987 353 F HN -0.091 nan 8.300 nan 0.000 0.475 354 V N -0.690 119.248 119.914 0.039 0.000 2.379 354 V HA -0.191 3.938 4.120 0.014 0.000 0.243 354 V C 1.539 177.657 176.094 0.040 0.000 1.035 354 V CA 1.635 63.958 62.300 0.038 0.000 1.035 354 V CB -0.427 31.440 31.823 0.073 0.000 0.673 354 V HN 0.195 nan 8.190 nan 0.000 0.457 355 D N -0.039 120.375 120.400 0.024 0.000 2.183 355 D HA 0.055 4.703 4.640 0.014 0.000 0.205 355 D C 1.994 178.313 176.300 0.031 0.000 0.962 355 D CA 1.216 55.236 54.000 0.032 0.000 0.849 355 D CB 0.251 41.065 40.800 0.023 0.000 0.978 355 D HN 0.393 nan 8.370 nan 0.000 0.488 356 I N 0.451 121.034 120.570 0.021 0.000 3.039 356 I HA -0.022 4.157 4.170 0.014 0.000 0.270 356 I C 1.668 177.809 176.117 0.041 0.000 1.150 356 I CA 0.415 61.734 61.300 0.032 0.000 1.448 356 I CB 0.273 38.292 38.000 0.032 0.000 1.197 356 I HN -0.232 nan 8.210 nan 0.000 0.450 357 E N 0.936 121.146 120.200 0.016 0.000 2.474 357 E HA 0.007 4.366 4.350 0.014 0.000 0.194 357 E C 0.058 176.668 176.600 0.016 0.000 1.041 357 E CA 0.106 56.518 56.400 0.021 0.000 0.874 357 E CB 0.228 29.854 29.700 -0.125 0.000 0.914 357 E HN 0.176 nan 8.360 nan 0.000 0.498 358 K N 0.300 120.708 120.400 0.012 0.000 3.117 358 K HA -0.181 4.148 4.320 0.014 0.000 0.269 358 K C -0.049 176.554 176.600 0.005 0.000 1.098 358 K CA 0.441 56.741 56.287 0.022 0.000 0.785 358 K CB -2.458 30.064 32.500 0.036 0.000 1.242 358 K HN 0.230 nan 8.250 nan 0.000 0.491 359 L N 0.573 121.773 121.223 -0.038 0.000 2.421 359 L HA 0.340 4.688 4.340 0.014 0.000 0.263 359 L C -1.606 175.263 176.870 -0.002 0.000 1.122 359 L CA -2.138 52.664 54.840 -0.064 0.000 0.804 359 L CB 0.281 42.210 42.059 -0.216 0.000 1.150 359 L HN -0.156 nan 8.230 nan 0.000 0.457 360 P HA -0.018 nan 4.420 nan 0.000 0.272 360 P C -0.198 177.184 177.300 0.136 0.000 1.223 360 P CA -0.244 62.910 63.100 0.090 0.000 0.784 360 P CB 0.503 32.250 31.700 0.079 0.000 0.923 361 W N 2.101 123.417 121.300 0.027 0.000 2.321 361 W HA -0.264 4.404 4.660 0.014 0.000 0.306 361 W C 2.482 179.068 176.519 0.113 0.000 1.217 361 W CA 2.906 60.282 57.345 0.052 0.000 1.257 361 W CB -0.873 28.589 29.460 0.004 0.000 1.145 361 W HN 0.447 nan 8.180 nan 0.000 0.509 362 S N 0.070 115.978 115.700 0.347 0.000 2.359 362 S HA -0.336 4.143 4.470 0.014 0.000 0.222 362 S C 1.882 176.582 174.600 0.166 0.000 1.038 362 S CA 1.760 60.129 58.200 0.281 0.000 1.051 362 S CB -0.893 62.429 63.200 0.203 0.000 0.944 362 S HN 0.186 nan 8.310 nan 0.000 0.433 363 K N 2.229 122.673 120.400 0.073 0.000 2.026 363 K HA 0.146 4.474 4.320 0.014 0.000 0.208 363 K C 2.303 178.857 176.600 -0.076 0.000 1.048 363 K CA 1.532 57.812 56.287 -0.012 0.000 0.929 363 K CB -1.247 31.219 32.500 -0.056 0.000 0.713 363 K HN 0.453 nan 8.250 nan 0.000 0.439 364 A N 0.628 123.386 122.820 -0.103 0.000 1.851 364 A HA -0.225 4.103 4.320 0.014 0.000 0.216 364 A C 2.267 179.873 177.584 0.037 0.000 1.195 364 A CA 1.720 53.715 52.037 -0.071 0.000 0.622 364 A CB -1.433 17.537 19.000 -0.049 0.000 0.831 364 A HN 0.717 nan 8.150 nan 0.000 0.444 365 W N 0.901 122.013 121.300 -0.313 0.000 2.321 365 W HA -0.230 4.438 4.660 0.014 0.000 0.306 365 W C 2.086 178.553 176.519 -0.088 0.000 1.217 365 W CA 2.064 59.223 57.345 -0.310 0.000 1.257 365 W CB -0.044 29.183 29.460 -0.389 0.000 1.145 365 W HN 0.663 nan 8.180 nan 0.000 0.509 366 E N 0.653 120.826 120.200 -0.044 0.000 2.017 366 E HA -0.264 4.095 4.350 0.014 0.000 0.193 366 E C 2.278 178.795 176.600 -0.138 0.000 0.997 366 E CA 1.918 58.245 56.400 -0.121 0.000 0.804 366 E CB -0.857 28.831 29.700 -0.020 0.000 0.757 366 E HN 0.341 nan 8.360 nan 0.000 0.448 367 L N 0.782 121.965 121.223 -0.066 0.000 2.131 367 L HA -0.153 4.195 4.340 0.014 0.000 0.210 367 L C 2.726 179.620 176.870 0.039 0.000 1.092 367 L CA 1.510 56.355 54.840 0.009 0.000 0.759 367 L CB -0.669 41.395 42.059 0.010 0.000 0.903 367 L HN 0.213 nan 8.230 nan 0.000 0.435 368 T N -0.705 113.850 114.554 0.001 0.000 2.674 368 T HA -0.238 4.121 4.350 0.014 0.000 0.265 368 T C 1.904 176.560 174.700 -0.074 0.000 1.039 368 T CA 1.420 63.507 62.100 -0.023 0.000 1.150 368 T CB -0.225 68.641 68.868 -0.004 0.000 0.864 368 T HN 0.395 nan 8.240 nan 0.000 0.427 369 Q N 0.630 120.252 119.800 -0.297 0.000 2.170 369 Q HA -0.070 4.278 4.340 0.014 0.000 0.203 369 Q C 2.225 178.181 176.000 -0.072 0.000 0.976 369 Q CA 1.149 56.817 55.803 -0.225 0.000 0.858 369 Q CB -0.169 28.323 28.738 -0.410 0.000 0.907 369 Q HN 0.462 nan 8.270 nan 0.000 0.433 370 K N -0.476 119.834 120.400 -0.150 0.000 2.365 370 K HA -0.022 4.306 4.320 0.014 0.000 0.199 370 K C 1.724 178.186 176.600 -0.230 0.000 1.045 370 K CA 1.077 57.217 56.287 -0.245 0.000 0.962 370 K CB 0.271 32.668 32.500 -0.172 0.000 0.759 370 K HN 0.116 nan 8.250 nan 0.000 0.469 371 T N 0.099 114.574 114.554 -0.132 0.000 2.953 371 T HA 0.110 4.468 4.350 0.014 0.000 0.247 371 T C 0.418 175.035 174.700 -0.139 0.000 1.029 371 T CA 0.431 62.406 62.100 -0.209 0.000 1.144 371 T CB 0.021 68.684 68.868 -0.341 0.000 0.870 371 T HN -0.060 nan 8.240 nan 0.000 0.446 372 F N 1.432 121.455 119.950 0.122 0.000 2.371 372 F HA 0.603 5.139 4.527 0.014 0.000 0.329 372 F C 0.483 176.413 175.800 0.217 0.000 1.107 372 F CA -1.031 57.054 58.000 0.142 0.000 1.137 372 F CB 0.735 39.761 39.000 0.044 0.000 1.214 372 F HN 0.051 nan 8.300 nan 0.000 0.536 373 A N 2.307 125.378 122.820 0.418 0.000 2.486 373 A HA 0.612 4.941 4.320 0.014 0.000 0.300 373 A C -2.248 175.490 177.584 0.258 0.000 1.048 373 A CA -0.564 51.605 52.037 0.220 0.000 0.696 373 A CB 1.141 20.305 19.000 0.273 0.000 1.278 373 A HN 0.660 nan 8.150 nan 0.000 0.405 374 Y N 0.970 121.254 120.300 -0.027 0.000 2.429 374 Y HA 0.730 5.288 4.550 0.014 0.000 0.342 374 Y C -0.491 175.382 175.900 -0.046 0.000 1.004 374 Y CA -0.679 57.391 58.100 -0.051 0.000 1.075 374 Y CB 2.173 40.539 38.460 -0.156 0.000 1.214 374 Y HN 0.550 nan 8.280 nan 0.000 0.455 375 T N 6.796 121.108 114.554 -0.403 0.000 2.809 375 T HA 0.230 4.589 4.350 0.014 0.000 0.284 375 T C -0.892 173.242 174.700 -0.944 0.000 0.992 375 T CA -0.836 60.949 62.100 -0.524 0.000 0.957 375 T CB 0.293 69.099 68.868 -0.103 0.000 0.942 375 T HN 0.656 nan 8.240 nan 0.000 0.439 376 N N 1.811 119.978 118.700 -0.887 0.000 2.479 376 N HA 0.137 4.886 4.740 0.014 0.000 0.285 376 N C 0.057 175.381 175.510 -0.312 0.000 1.075 376 N CA -0.240 52.508 53.050 -0.503 0.000 0.967 376 N CB 0.747 39.125 38.487 -0.181 0.000 1.137 376 N HN 0.668 nan 8.380 nan 0.000 0.472 377 H N 0.879 119.971 119.070 0.036 0.000 3.058 377 H HA 0.170 4.735 4.556 0.014 0.000 0.266 377 H C -0.185 175.084 175.328 -0.099 0.000 1.135 377 H CA -0.040 55.973 56.048 -0.058 0.000 1.174 377 H CB 1.072 30.802 29.762 -0.053 0.000 1.581 377 H HN 0.535 nan 8.280 nan 0.000 0.553 378 T N 0.193 114.837 114.554 0.150 0.000 2.886 378 T HA 0.259 4.618 4.350 0.014 0.000 0.330 378 T C 0.331 175.132 174.700 0.167 0.000 1.488 378 T CA -0.358 61.797 62.100 0.091 0.000 1.054 378 T CB 1.290 70.179 68.868 0.035 0.000 1.348 378 T HN -0.058 nan 8.240 nan 0.000 0.489 379 V N 1.410 121.372 119.914 0.080 0.000 3.477 379 V HA 0.539 4.668 4.120 0.014 0.000 0.297 379 V C 0.617 176.701 176.094 -0.017 0.000 1.433 379 V CA -0.101 62.221 62.300 0.038 0.000 1.052 379 V CB -0.394 31.445 31.823 0.028 0.000 0.895 379 V HN 0.688 nan 8.190 nan 0.000 0.438 380 L N 2.121 123.323 121.223 -0.035 0.000 2.477 380 L HA 0.238 4.586 4.340 0.014 0.000 0.272 380 L C -1.162 175.712 176.870 0.007 0.000 1.157 380 L CA -1.136 53.692 54.840 -0.020 0.000 0.889 380 L CB 0.659 42.691 42.059 -0.045 0.000 1.158 380 L HN 0.056 nan 8.230 nan 0.000 0.473 381 P HA -0.209 nan 4.420 nan 0.000 0.218 381 P C 1.160 178.465 177.300 0.009 0.000 1.148 381 P CA 1.016 64.114 63.100 -0.003 0.000 0.822 381 P CB 0.102 31.800 31.700 -0.004 0.000 0.784 382 E N -0.403 119.833 120.200 0.059 0.000 2.478 382 E HA -0.040 4.318 4.350 0.014 0.000 0.198 382 E C 1.356 177.954 176.600 -0.004 0.000 1.046 382 E CA 1.071 57.511 56.400 0.066 0.000 0.870 382 E CB -0.633 29.227 29.700 0.267 0.000 0.818 382 E HN 0.185 nan 8.360 nan 0.000 0.527 383 A N 1.082 123.926 122.820 0.039 0.000 2.303 383 A HA 0.277 4.606 4.320 0.014 0.000 0.217 383 A C 1.062 178.656 177.584 0.017 0.000 1.205 383 A CA -0.375 51.697 52.037 0.057 0.000 0.875 383 A CB 0.021 19.071 19.000 0.084 0.000 0.910 383 A HN 0.126 nan 8.150 nan 0.000 0.501 384 L N 1.450 122.642 121.223 -0.051 0.000 2.331 384 L HA 0.233 4.582 4.340 0.014 0.000 0.278 384 L C -0.154 176.456 176.870 -0.432 0.000 1.106 384 L CA -0.307 54.453 54.840 -0.134 0.000 0.824 384 L CB 0.883 42.883 42.059 -0.099 0.000 1.142 384 L HN 0.269 nan 8.230 nan 0.000 0.443 385 E N 4.479 124.347 120.200 -0.554 0.000 2.223 385 E HA 0.235 4.594 4.350 0.014 0.000 0.282 385 E C -0.650 175.332 176.600 -1.029 0.000 1.046 385 E CA -0.216 55.447 56.400 -1.228 0.000 0.857 385 E CB 0.715 29.990 29.700 -0.708 0.000 1.055 385 E HN 0.436 nan 8.360 nan 0.000 0.409 386 R N 3.957 123.606 120.500 -1.419 0.000 2.576 386 R HA 0.197 4.546 4.340 0.014 0.000 0.283 386 R C -1.224 174.830 176.300 -0.411 0.000 1.493 386 R CA -0.616 55.126 56.100 -0.597 0.000 1.170 386 R CB 0.708 30.820 30.300 -0.314 0.000 1.189 386 R HN 0.425 nan 8.270 nan 0.000 0.542 387 W N 3.768 124.994 121.300 -0.123 0.000 2.272 387 W HA 0.283 4.951 4.660 0.014 0.000 0.318 387 W C -1.975 174.571 176.519 0.044 0.000 1.255 387 W CA -2.133 55.252 57.345 0.065 0.000 1.200 387 W CB 0.529 30.001 29.460 0.020 0.000 1.170 387 W HN 0.230 nan 8.180 nan 0.000 0.549 388 P HA -0.058 nan 4.420 nan 0.000 0.267 388 P C 0.796 178.192 177.300 0.159 0.000 1.205 388 P CA 0.127 63.345 63.100 0.195 0.000 0.765 388 P CB 0.776 32.584 31.700 0.179 0.000 0.828 389 V N 2.781 122.762 119.914 0.111 0.000 2.380 389 V HA -0.277 3.851 4.120 0.014 0.000 0.251 389 V C 1.635 177.771 176.094 0.069 0.000 1.063 389 V CA 2.041 64.386 62.300 0.074 0.000 1.055 389 V CB -0.906 30.978 31.823 0.100 0.000 0.657 389 V HN 0.563 nan 8.190 nan 0.000 0.455 390 D N -0.297 120.156 120.400 0.088 0.000 2.123 390 D HA -0.172 4.477 4.640 0.014 0.000 0.196 390 D C 1.950 178.297 176.300 0.077 0.000 0.992 390 D CA 1.225 55.275 54.000 0.083 0.000 0.833 390 D CB -0.295 40.557 40.800 0.086 0.000 0.954 390 D HN 0.331 nan 8.370 nan 0.000 0.455 391 L N 0.336 121.614 121.223 0.092 0.000 2.005 391 L HA -0.132 4.216 4.340 0.014 0.000 0.207 391 L C 2.324 179.197 176.870 0.005 0.000 1.072 391 L CA 1.190 56.079 54.840 0.081 0.000 0.744 391 L CB -0.389 41.758 42.059 0.148 0.000 0.895 391 L HN -0.097 nan 8.230 nan 0.000 0.433 392 V N -0.646 119.256 119.914 -0.021 0.000 2.594 392 V HA -0.270 3.858 4.120 0.014 0.000 0.253 392 V C 2.478 178.506 176.094 -0.110 0.000 1.069 392 V CA 1.769 63.997 62.300 -0.121 0.000 1.082 392 V CB -0.663 31.078 31.823 -0.136 0.000 0.680 392 V HN 0.548 nan 8.190 nan 0.000 0.469 393 E N 1.088 121.264 120.200 -0.040 0.000 2.072 393 E HA -0.260 4.098 4.350 0.014 0.000 0.191 393 E C 2.183 178.793 176.600 0.017 0.000 0.985 393 E CA 1.515 57.906 56.400 -0.015 0.000 0.801 393 E CB 0.055 29.778 29.700 0.039 0.000 0.750 393 E HN 0.808 nan 8.360 nan 0.000 0.452 394 K N -0.419 120.013 120.400 0.053 0.000 2.314 394 K HA -0.032 4.297 4.320 0.014 0.000 0.198 394 K C 1.953 178.615 176.600 0.105 0.000 1.045 394 K CA 0.511 56.880 56.287 0.138 0.000 0.988 394 K CB 0.051 32.670 32.500 0.199 0.000 0.783 394 K HN 0.054 nan 8.250 nan 0.000 0.484 395 L N 0.372 121.541 121.223 -0.091 0.000 2.121 395 L HA 0.200 4.549 4.340 0.014 0.000 0.200 395 L C 0.215 176.971 176.870 -0.191 0.000 1.077 395 L CA 1.090 55.731 54.840 -0.331 0.000 0.766 395 L CB 0.242 42.111 42.059 -0.317 0.000 0.931 395 L HN 0.142 nan 8.230 nan 0.000 0.452 396 L N 1.943 123.012 121.223 -0.256 0.000 2.679 396 L HA 0.336 4.685 4.340 0.014 0.000 0.238 396 L C -1.678 174.979 176.870 -0.355 0.000 1.330 396 L CA -1.344 53.253 54.840 -0.405 0.000 0.935 396 L CB -0.156 41.499 42.059 -0.673 0.000 1.243 396 L HN 0.100 nan 8.230 nan 0.000 0.484 397 P HA -0.216 nan 4.420 nan 0.000 0.215 397 P C 1.515 178.605 177.300 -0.350 0.000 1.153 397 P CA 1.187 64.148 63.100 -0.231 0.000 0.853 397 P CB 0.495 32.139 31.700 -0.093 0.000 0.788 398 R N -0.099 119.999 120.500 -0.671 0.000 2.115 398 R HA -0.155 4.193 4.340 0.014 0.000 0.230 398 R C 2.216 178.210 176.300 -0.510 0.000 1.111 398 R CA 1.647 57.376 56.100 -0.619 0.000 0.976 398 R CB -1.552 28.194 30.300 -0.923 0.000 0.870 398 R HN 0.244 nan 8.270 nan 0.000 0.445 399 H N -0.744 118.002 119.070 -0.540 0.000 2.462 399 H HA 0.007 4.572 4.556 0.014 0.000 0.292 399 H C 1.418 176.556 175.328 -0.318 0.000 1.049 399 H CA 1.283 57.099 56.048 -0.387 0.000 1.334 399 H CB -0.005 29.491 29.762 -0.442 0.000 1.404 399 H HN 0.133 nan 8.280 nan 0.000 0.544 400 L N 1.008 122.088 121.223 -0.240 0.000 2.109 400 L HA -0.083 4.266 4.340 0.014 0.000 0.207 400 L C 1.679 178.312 176.870 -0.396 0.000 1.086 400 L CA 1.645 56.264 54.840 -0.368 0.000 0.760 400 L CB -0.287 41.579 42.059 -0.322 0.000 0.910 400 L HN 0.225 nan 8.230 nan 0.000 0.437 401 E N -0.478 119.635 120.200 -0.145 0.000 2.150 401 E HA -0.182 4.177 4.350 0.014 0.000 0.193 401 E C 2.237 178.852 176.600 0.025 0.000 0.985 401 E CA 1.439 57.868 56.400 0.049 0.000 0.814 401 E CB -0.139 29.594 29.700 0.055 0.000 0.752 401 E HN 0.561 nan 8.360 nan 0.000 0.466 402 I N 0.828 121.367 120.570 -0.052 0.000 2.353 402 I HA -0.214 3.964 4.170 0.014 0.000 0.248 402 I C 2.239 178.380 176.117 0.040 0.000 1.119 402 I CA 0.889 62.204 61.300 0.025 0.000 1.417 402 I CB -0.123 37.842 38.000 -0.058 0.000 1.078 402 I HN 0.083 nan 8.210 nan 0.000 0.421 403 I N -0.446 120.084 120.570 -0.067 0.000 2.353 403 I HA -0.274 3.905 4.170 0.014 0.000 0.248 403 I C 2.401 178.517 176.117 -0.001 0.000 1.119 403 I CA 1.254 62.512 61.300 -0.070 0.000 1.417 403 I CB -0.371 37.527 38.000 -0.170 0.000 1.078 403 I HN 0.121 nan 8.210 nan 0.000 0.421 404 Y N 1.285 121.576 120.300 -0.015 0.000 2.145 404 Y HA -0.211 4.347 4.550 0.014 0.000 0.286 404 Y C 2.668 178.526 175.900 -0.070 0.000 1.145 404 Y CA 0.904 58.985 58.100 -0.031 0.000 1.148 404 Y CB -0.746 37.687 38.460 -0.045 0.000 0.981 404 Y HN 0.120 nan 8.280 nan 0.000 0.507 405 E N 0.321 120.564 120.200 0.071 0.000 2.021 405 E HA -0.238 4.120 4.350 0.014 0.000 0.200 405 E C 2.367 178.866 176.600 -0.169 0.000 1.015 405 E CA 1.773 58.081 56.400 -0.153 0.000 0.824 405 E CB -0.681 28.901 29.700 -0.197 0.000 0.762 405 E HN 0.450 nan 8.360 nan 0.000 0.454 406 I N 1.307 121.891 120.570 0.023 0.000 2.145 406 I HA -0.354 3.825 4.170 0.014 0.000 0.244 406 I C 2.409 178.529 176.117 0.006 0.000 1.075 406 I CA 1.489 62.772 61.300 -0.028 0.000 1.332 406 I CB -0.459 37.500 38.000 -0.067 0.000 1.033 406 I HN 0.126 nan 8.210 nan 0.000 0.410 407 N N 0.588 119.332 118.700 0.074 0.000 2.058 407 N HA -0.268 4.480 4.740 0.014 0.000 0.191 407 N C 1.822 177.410 175.510 0.131 0.000 1.037 407 N CA 1.673 54.820 53.050 0.161 0.000 0.848 407 N CB -0.209 38.386 38.487 0.181 0.000 1.021 407 N HN 0.217 nan 8.380 nan 0.000 0.422 408 Q N 0.721 120.543 119.800 0.037 0.000 2.045 408 Q HA -0.129 4.219 4.340 0.014 0.000 0.206 408 Q C 1.611 177.584 176.000 -0.045 0.000 0.991 408 Q CA 1.794 57.581 55.803 -0.026 0.000 0.851 408 Q CB -0.125 28.556 28.738 -0.095 0.000 0.911 408 Q HN 0.214 nan 8.270 nan 0.000 0.418 409 K N -0.723 119.619 120.400 -0.097 0.000 2.097 409 K HA -0.198 4.130 4.320 0.014 0.000 0.206 409 K C 2.144 178.768 176.600 0.039 0.000 1.049 409 K CA 1.636 57.870 56.287 -0.087 0.000 0.933 409 K CB -0.579 31.807 32.500 -0.190 0.000 0.717 409 K HN 0.484 nan 8.250 nan 0.000 0.442 410 H N 1.045 120.120 119.070 0.008 0.000 2.321 410 H HA -0.026 4.539 4.556 0.014 0.000 0.300 410 H C 1.759 177.130 175.328 0.071 0.000 1.087 410 H CA 1.274 57.375 56.048 0.088 0.000 1.319 410 H CB -0.008 29.836 29.762 0.138 0.000 1.379 410 H HN -0.069 nan 8.280 nan 0.000 0.501 411 L N 0.775 121.965 121.223 -0.054 0.000 2.141 411 L HA -0.115 4.233 4.340 0.014 0.000 0.209 411 L C 1.709 178.525 176.870 -0.090 0.000 1.094 411 L CA 1.418 56.189 54.840 -0.114 0.000 0.763 411 L CB -1.078 40.973 42.059 -0.013 0.000 0.908 411 L HN 0.399 nan 8.230 nan 0.000 0.437 412 D N -0.403 119.961 120.400 -0.059 0.000 2.149 412 D HA -0.211 4.437 4.640 0.014 0.000 0.198 412 D C 2.284 178.552 176.300 -0.054 0.000 0.990 412 D CA 0.880 54.849 54.000 -0.053 0.000 0.839 412 D CB 0.120 40.889 40.800 -0.051 0.000 0.948 412 D HN 0.118 nan 8.370 nan 0.000 0.460 413 R N 0.812 121.278 120.500 -0.055 0.000 2.066 413 R HA -0.062 4.286 4.340 0.014 0.000 0.232 413 R C 2.163 178.417 176.300 -0.078 0.000 1.131 413 R CA 0.783 56.856 56.100 -0.045 0.000 0.955 413 R CB -0.567 29.738 30.300 0.009 0.000 0.851 413 R HN 0.045 nan 8.270 nan 0.000 0.432 414 I N 0.428 120.930 120.570 -0.113 0.000 2.163 414 I HA -0.234 3.944 4.170 0.014 0.000 0.243 414 I C 2.260 178.380 176.117 0.005 0.000 1.085 414 I CA 1.187 62.461 61.300 -0.044 0.000 1.347 414 I CB -1.266 36.667 38.000 -0.112 0.000 1.044 414 I HN 0.025 nan 8.210 nan 0.000 0.408 415 V N 1.562 121.459 119.914 -0.029 0.000 2.295 415 V HA -0.235 3.893 4.120 0.014 0.000 0.246 415 V C 2.777 178.839 176.094 -0.052 0.000 1.049 415 V CA 1.856 64.145 62.300 -0.017 0.000 1.024 415 V CB -1.250 30.557 31.823 -0.026 0.000 0.648 415 V HN 0.491 nan 8.190 nan 0.000 0.447 416 A N -1.021 121.752 122.820 -0.077 0.000 2.178 416 A HA -0.052 4.276 4.320 0.014 0.000 0.218 416 A C 2.115 179.592 177.584 -0.177 0.000 1.157 416 A CA 1.488 53.466 52.037 -0.098 0.000 0.689 416 A CB -0.371 18.583 19.000 -0.077 0.000 0.787 416 A HN 0.561 nan 8.150 nan 0.000 0.465 417 L N -3.277 117.776 121.223 -0.282 0.000 2.500 417 L HA 0.292 4.641 4.340 0.014 0.000 0.219 417 L C -0.270 176.042 176.870 -0.929 0.000 1.057 417 L CA 0.236 54.694 54.840 -0.636 0.000 0.854 417 L CB 0.422 41.995 42.059 -0.810 0.000 1.078 417 L HN 0.346 nan 8.230 nan 0.000 0.480 418 F N 0.144 120.070 119.950 -0.041 0.000 2.794 418 F HA 0.303 4.839 4.527 0.014 0.000 0.353 418 F C -1.825 173.952 175.800 -0.039 0.000 1.371 418 F CA -1.311 56.666 58.000 -0.039 0.000 1.173 418 F CB 0.642 39.613 39.000 -0.048 0.000 1.693 418 F HN -0.187 nan 8.300 nan 0.000 0.606 419 P HA -0.076 nan 4.420 nan 0.000 0.236 419 P C 0.429 177.752 177.300 0.039 0.000 1.172 419 P CA 1.069 64.188 63.100 0.031 0.000 0.759 419 P CB 0.301 32.000 31.700 -0.002 0.000 0.843 420 K N -1.187 119.251 120.400 0.063 0.000 2.474 420 K HA 0.060 4.388 4.320 0.014 0.000 0.202 420 K C 0.572 177.191 176.600 0.031 0.000 1.248 420 K CA -0.175 56.135 56.287 0.039 0.000 0.946 420 K CB 0.197 32.718 32.500 0.036 0.000 1.102 420 K HN -0.107 nan 8.250 nan 0.000 0.541 421 D N 2.327 122.754 120.400 0.044 0.000 2.489 421 D HA 0.004 4.652 4.640 0.014 0.000 0.237 421 D C 0.915 177.214 176.300 -0.002 0.000 1.212 421 D CA 0.060 54.060 54.000 0.000 0.000 1.058 421 D CB 0.594 41.364 40.800 -0.050 0.000 1.098 421 D HN -0.160 nan 8.370 nan 0.000 0.509 422 V N 2.463 122.377 119.914 -0.001 0.000 2.515 422 V HA -0.207 3.922 4.120 0.014 0.000 0.250 422 V C 2.046 178.136 176.094 -0.006 0.000 1.058 422 V CA 1.504 63.804 62.300 -0.000 0.000 1.064 422 V CB -0.473 31.351 31.823 0.001 0.000 0.675 422 V HN 0.427 nan 8.190 nan 0.000 0.461 423 D N 0.213 120.604 120.400 -0.015 0.000 2.218 423 D HA -0.204 4.445 4.640 0.014 0.000 0.204 423 D C 2.261 178.544 176.300 -0.029 0.000 0.976 423 D CA 1.043 55.033 54.000 -0.017 0.000 0.853 423 D CB -0.081 40.704 40.800 -0.025 0.000 0.939 423 D HN 0.313 nan 8.370 nan 0.000 0.481 424 R N -0.373 120.094 120.500 -0.055 0.000 2.092 424 R HA -0.011 4.337 4.340 0.014 0.000 0.231 424 R C 2.263 178.528 176.300 -0.059 0.000 1.119 424 R CA 0.830 56.876 56.100 -0.091 0.000 0.970 424 R CB -0.241 29.975 30.300 -0.140 0.000 0.864 424 R HN 0.232 nan 8.270 nan 0.000 0.440 425 L N 0.612 121.821 121.223 -0.024 0.000 1.989 425 L HA -0.225 4.123 4.340 0.014 0.000 0.211 425 L C 2.668 179.562 176.870 0.040 0.000 1.071 425 L CA 2.104 56.944 54.840 -0.001 0.000 0.749 425 L CB -0.537 41.526 42.059 0.007 0.000 0.890 425 L HN 0.336 nan 8.230 nan 0.000 0.431 426 R N -0.014 120.514 120.500 0.046 0.000 2.148 426 R HA -0.117 4.231 4.340 0.014 0.000 0.223 426 R C 2.160 178.533 176.300 0.121 0.000 1.088 426 R CA 0.934 57.083 56.100 0.082 0.000 0.985 426 R CB -0.353 29.983 30.300 0.061 0.000 0.880 426 R HN 0.202 nan 8.270 nan 0.000 0.451 427 R N -0.045 120.508 120.500 0.088 0.000 2.236 427 R HA 0.174 4.522 4.340 0.014 0.000 0.208 427 R C 1.560 177.977 176.300 0.195 0.000 1.036 427 R CA 1.196 57.373 56.100 0.128 0.000 1.001 427 R CB 0.121 30.445 30.300 0.040 0.000 0.896 427 R HN 0.316 nan 8.270 nan 0.000 0.464 428 M N -1.011 118.655 119.600 0.109 0.000 2.331 428 M HA 0.109 4.597 4.480 0.014 0.000 0.266 428 M C 0.593 177.141 176.300 0.414 0.000 1.055 428 M CA -0.146 55.200 55.300 0.077 0.000 1.048 428 M CB 1.013 33.470 32.600 -0.238 0.000 1.460 428 M HN -0.095 nan 8.290 nan 0.000 0.519 429 S N 1.040 116.953 115.700 0.356 0.000 2.573 429 S HA 0.151 4.629 4.470 0.014 0.000 0.277 429 S C 0.920 175.777 174.600 0.429 0.000 1.346 429 S CA -0.279 58.138 58.200 0.361 0.000 1.034 429 S CB 0.616 63.956 63.200 0.233 0.000 0.879 429 S HN 0.405 nan 8.310 nan 0.000 0.528 430 L N 2.496 123.907 121.223 0.314 0.000 2.591 430 L HA 0.264 4.613 4.340 0.014 0.000 0.228 430 L C -0.509 176.452 176.870 0.151 0.000 1.133 430 L CA 0.155 55.132 54.840 0.228 0.000 0.880 430 L CB -0.356 41.785 42.059 0.137 0.000 1.033 430 L HN 0.482 nan 8.230 nan 0.000 0.450 431 I N -0.540 120.134 120.570 0.173 0.000 2.410 431 I HA 0.146 4.325 4.170 0.014 0.000 0.286 431 I C 0.167 176.356 176.117 0.121 0.000 1.009 431 I CA -0.285 61.098 61.300 0.138 0.000 1.111 431 I CB 1.661 39.768 38.000 0.179 0.000 1.262 431 I HN -0.054 nan 8.210 nan 0.000 0.443 432 E N 6.202 126.452 120.200 0.083 0.000 1.865 432 E HA 0.076 4.434 4.350 0.014 0.000 0.269 432 E C 0.431 177.073 176.600 0.069 0.000 1.177 432 E CA -0.142 56.299 56.400 0.069 0.000 0.932 432 E CB 0.539 30.260 29.700 0.034 0.000 1.066 432 E HN 0.413 nan 8.360 nan 0.000 0.405 433 E N 2.344 122.589 120.200 0.074 0.000 2.273 433 E HA -0.190 4.168 4.350 0.014 0.000 0.198 433 E C 0.264 176.895 176.600 0.052 0.000 1.002 433 E CA 0.764 57.202 56.400 0.064 0.000 0.828 433 E CB -0.282 29.452 29.700 0.056 0.000 0.747 433 E HN 0.662 nan 8.360 nan 0.000 0.491 434 E N 0.256 120.485 120.200 0.047 0.000 2.485 434 E HA 0.009 4.367 4.350 0.014 0.000 0.266 434 E C 1.397 178.021 176.600 0.040 0.000 1.090 434 E CA 0.259 56.683 56.400 0.040 0.000 0.987 434 E CB 0.136 29.857 29.700 0.036 0.000 0.974 434 E HN 0.003 nan 8.360 nan 0.000 0.455 435 G N 2.510 111.331 108.800 0.036 0.000 3.697 435 G HA2 -0.473 3.495 3.960 0.014 0.000 0.307 435 G HA3 -0.473 3.495 3.960 0.014 0.000 0.307 435 G C 0.671 175.596 174.900 0.042 0.000 1.169 435 G CA 1.340 46.461 45.100 0.036 0.000 1.169 435 G HN 0.723 nan 8.290 nan 0.000 1.307 436 S N 1.104 116.831 115.700 0.046 0.000 2.415 436 S HA 0.445 4.923 4.470 0.014 0.000 0.313 436 S C 0.257 174.894 174.600 0.062 0.000 1.067 436 S CA -0.368 57.865 58.200 0.055 0.000 1.099 436 S CB 0.174 63.407 63.200 0.056 0.000 0.991 436 S HN 0.390 nan 8.310 nan 0.000 0.491 437 K N 4.195 124.636 120.400 0.068 0.000 2.405 437 K HA 0.035 4.363 4.320 0.014 0.000 0.276 437 K C 0.349 177.000 176.600 0.085 0.000 1.099 437 K CA 0.632 56.966 56.287 0.079 0.000 1.120 437 K CB 0.227 32.783 32.500 0.094 0.000 0.877 437 K HN 0.554 nan 8.250 nan 0.000 0.472 438 R N 2.332 122.876 120.500 0.072 0.000 2.902 438 R HA 0.537 4.885 4.340 0.014 0.000 0.258 438 R C -0.202 176.129 176.300 0.052 0.000 1.071 438 R CA -0.962 55.178 56.100 0.067 0.000 1.024 438 R CB 1.328 31.651 30.300 0.037 0.000 1.184 438 R HN 0.406 nan 8.270 nan 0.000 0.492 439 I N 1.441 122.038 120.570 0.046 0.000 2.330 439 I HA 0.156 4.334 4.170 0.014 0.000 0.289 439 I C -0.189 175.906 176.117 -0.037 0.000 1.001 439 I CA -0.680 60.633 61.300 0.023 0.000 1.193 439 I CB 1.374 39.395 38.000 0.035 0.000 1.345 439 I HN 0.412 nan 8.210 nan 0.000 0.461 440 N N 7.807 126.466 118.700 -0.067 0.000 2.508 440 N HA 0.062 4.811 4.740 0.014 0.000 0.253 440 N C 0.946 176.368 175.510 -0.146 0.000 1.145 440 N CA -0.259 52.685 53.050 -0.176 0.000 0.973 440 N CB 0.734 39.016 38.487 -0.342 0.000 1.305 440 N HN 0.541 nan 8.380 nan 0.000 0.506 441 M N 1.812 121.331 119.600 -0.135 0.000 2.195 441 M HA -0.154 4.334 4.480 0.014 0.000 0.260 441 M C 1.994 178.159 176.300 -0.224 0.000 1.066 441 M CA 0.929 56.155 55.300 -0.123 0.000 1.089 441 M CB -1.705 30.864 32.600 -0.052 0.000 1.377 441 M HN 0.548 nan 8.290 nan 0.000 0.411 442 A N -0.329 122.362 122.820 -0.215 0.000 1.883 442 A HA -0.198 4.130 4.320 0.014 0.000 0.217 442 A C 2.019 179.410 177.584 -0.322 0.000 1.186 442 A CA 1.781 53.660 52.037 -0.262 0.000 0.624 442 A CB -1.262 17.773 19.000 0.059 0.000 0.822 442 A HN 0.636 nan 8.150 nan 0.000 0.444 443 H N -1.642 117.257 119.070 -0.286 0.000 2.421 443 H HA -0.087 4.477 4.556 0.014 0.000 0.298 443 H C 2.034 177.158 175.328 -0.339 0.000 1.087 443 H CA 0.934 56.749 56.048 -0.389 0.000 1.330 443 H CB 0.018 29.724 29.762 -0.093 0.000 1.388 443 H HN 0.430 nan 8.280 nan 0.000 0.526 444 L N 0.546 121.693 121.223 -0.126 0.000 2.046 444 L HA -0.147 4.202 4.340 0.014 0.000 0.208 444 L C 2.170 178.903 176.870 -0.229 0.000 1.077 444 L CA 1.394 56.156 54.840 -0.131 0.000 0.747 444 L CB -0.775 41.215 42.059 -0.115 0.000 0.896 444 L HN 0.280 nan 8.230 nan 0.000 0.432 445 C N -0.348 118.702 119.300 -0.416 0.000 2.425 445 C HA -0.102 4.366 4.460 0.014 0.000 0.277 445 C C 2.728 177.460 174.990 -0.431 0.000 1.280 445 C CA 0.833 59.512 59.018 -0.566 0.000 1.744 445 C CB -0.918 26.087 27.740 -1.225 0.000 1.989 445 C HN 0.595 nan 8.230 nan 0.000 0.491 446 I N 1.522 121.815 120.570 -0.463 0.000 2.315 446 I HA -0.151 4.027 4.170 0.014 0.000 0.248 446 I C 2.408 178.407 176.117 -0.196 0.000 1.117 446 I CA 1.728 62.794 61.300 -0.390 0.000 1.404 446 I CB -0.439 37.191 38.000 -0.615 0.000 1.071 446 I HN 0.336 nan 8.210 nan 0.000 0.419 447 V N -1.753 118.091 119.914 -0.117 0.000 2.788 447 V HA 0.155 4.283 4.120 0.014 0.000 0.251 447 V C 1.977 178.129 176.094 0.096 0.000 1.068 447 V CA 1.356 63.705 62.300 0.083 0.000 1.090 447 V CB -1.169 30.733 31.823 0.132 0.000 0.710 447 V HN 0.355 nan 8.190 nan 0.000 0.467 448 G N -0.028 108.786 108.800 0.024 0.000 3.233 448 G HA2 0.369 4.337 3.960 0.014 0.000 0.227 448 G HA3 0.369 4.337 3.960 0.014 0.000 0.227 448 G C 0.310 175.159 174.900 -0.085 0.000 1.175 448 G CA 0.478 45.512 45.100 -0.111 0.000 0.781 448 G HN 0.526 nan 8.290 nan 0.000 0.542 449 S N -0.274 115.387 115.700 -0.066 0.000 2.536 449 S HA 0.316 4.794 4.470 0.014 0.000 0.287 449 S C 0.619 175.214 174.600 -0.008 0.000 1.101 449 S CA -0.723 57.493 58.200 0.028 0.000 0.950 449 S CB 1.351 64.549 63.200 -0.004 0.000 1.056 449 S HN 0.486 nan 8.310 nan 0.000 0.481 450 H N 0.140 119.184 119.070 -0.043 0.000 2.548 450 H HA 0.467 5.032 4.556 0.014 0.000 0.268 450 H C 0.181 175.466 175.328 -0.071 0.000 0.975 450 H CA 0.363 56.377 56.048 -0.057 0.000 1.195 450 H CB 0.076 29.816 29.762 -0.036 0.000 1.397 450 H HN 0.542 nan 8.280 nan 0.000 0.572 451 A N 0.988 123.438 122.820 -0.617 0.000 2.455 451 A HA 0.582 4.910 4.320 0.014 0.000 0.300 451 A C -1.338 176.012 177.584 -0.390 0.000 1.040 451 A CA -0.577 51.138 52.037 -0.537 0.000 0.697 451 A CB 2.260 20.856 19.000 -0.674 0.000 1.265 451 A HN 0.091 nan 8.150 nan 0.000 0.407 452 V N 3.774 123.414 119.914 -0.456 0.000 2.656 452 V HA 0.606 4.734 4.120 0.014 0.000 0.307 452 V C -0.691 175.183 176.094 -0.367 0.000 1.051 452 V CA -0.747 61.274 62.300 -0.464 0.000 0.893 452 V CB 1.933 33.235 31.823 -0.868 0.000 0.999 452 V HN 1.049 nan 8.190 nan 0.000 0.426 453 N N 2.635 121.142 118.700 -0.322 0.000 2.284 453 N HA 0.616 5.365 4.740 0.014 0.000 0.289 453 N C -0.405 175.000 175.510 -0.175 0.000 1.179 453 N CA -0.347 52.571 53.050 -0.221 0.000 0.774 453 N CB 2.821 41.150 38.487 -0.263 0.000 1.548 453 N HN 0.681 nan 8.380 nan 0.000 0.473 454 G N -0.880 107.886 108.800 -0.057 0.000 2.552 454 G HA2 0.460 4.428 3.960 0.014 0.000 0.318 454 G HA3 0.460 4.428 3.960 0.014 0.000 0.318 454 G C 0.551 175.535 174.900 0.141 0.000 1.240 454 G CA -0.494 44.680 45.100 0.123 0.000 1.002 454 G HN 0.688 nan 8.290 nan 0.000 0.493 455 V N -3.755 116.307 119.914 0.248 0.000 3.176 455 V HA 0.713 4.841 4.120 0.014 0.000 0.332 455 V C 0.378 176.551 176.094 0.132 0.000 1.414 455 V CA 0.129 62.509 62.300 0.133 0.000 1.133 455 V CB -0.682 31.189 31.823 0.079 0.000 1.088 455 V HN 1.474 nan 8.190 nan 0.000 0.473 456 A N -0.466 122.452 122.820 0.163 0.000 2.583 456 A HA 0.542 4.870 4.320 0.014 0.000 0.298 456 A C 0.405 178.064 177.584 0.125 0.000 1.055 456 A CA -0.300 51.819 52.037 0.137 0.000 0.714 456 A CB 1.090 20.161 19.000 0.119 0.000 1.277 456 A HN 0.043 nan 8.150 nan 0.000 0.406 457 K N 1.039 121.490 120.400 0.085 0.000 2.032 457 K HA -0.228 4.101 4.320 0.014 0.000 0.218 457 K C 1.763 178.393 176.600 0.049 0.000 1.054 457 K CA 2.232 58.550 56.287 0.052 0.000 0.941 457 K CB -0.280 32.244 32.500 0.040 0.000 0.720 457 K HN 0.722 nan 8.250 nan 0.000 0.449 458 I N 0.624 121.230 120.570 0.060 0.000 2.208 458 I HA -0.354 3.825 4.170 0.014 0.000 0.245 458 I C 2.557 178.712 176.117 0.064 0.000 1.097 458 I CA 1.818 63.146 61.300 0.047 0.000 1.363 458 I CB -0.147 37.879 38.000 0.044 0.000 1.051 458 I HN 0.287 nan 8.210 nan 0.000 0.413 459 H N 0.380 119.453 119.070 0.005 0.000 2.326 459 H HA -0.121 4.444 4.556 0.014 0.000 0.301 459 H C 2.275 177.612 175.328 0.016 0.000 1.081 459 H CA 2.259 58.310 56.048 0.004 0.000 1.334 459 H CB -0.276 29.489 29.762 0.007 0.000 1.385 459 H HN 0.284 nan 8.280 nan 0.000 0.504 460 S N -0.008 115.627 115.700 -0.109 0.000 2.399 460 S HA -0.175 4.303 4.470 0.014 0.000 0.231 460 S C 1.899 176.441 174.600 -0.096 0.000 1.022 460 S CA 1.134 59.252 58.200 -0.138 0.000 0.983 460 S CB -0.271 62.918 63.200 -0.019 0.000 0.803 460 S HN 0.630 nan 8.310 nan 0.000 0.480 461 D N 1.409 121.771 120.400 -0.063 0.000 2.117 461 D HA -0.086 4.562 4.640 0.014 0.000 0.198 461 D C 1.809 178.061 176.300 -0.081 0.000 0.982 461 D CA 0.973 54.941 54.000 -0.053 0.000 0.828 461 D CB -0.057 40.725 40.800 -0.029 0.000 0.967 461 D HN 0.374 nan 8.370 nan 0.000 0.464 462 I N 0.454 120.965 120.570 -0.099 0.000 2.353 462 I HA -0.198 3.980 4.170 0.014 0.000 0.248 462 I C 2.585 178.619 176.117 -0.138 0.000 1.119 462 I CA 0.301 61.537 61.300 -0.107 0.000 1.417 462 I CB -0.037 37.913 38.000 -0.083 0.000 1.078 462 I HN -0.075 nan 8.210 nan 0.000 0.421 463 V N 1.163 120.972 119.914 -0.175 0.000 2.307 463 V HA -0.285 3.843 4.120 0.014 0.000 0.245 463 V C 2.531 178.639 176.094 0.023 0.000 1.045 463 V CA 1.957 64.235 62.300 -0.036 0.000 1.024 463 V CB -0.644 31.158 31.823 -0.035 0.000 0.651 463 V HN 0.412 nan 8.190 nan 0.000 0.449 464 K N 0.525 120.866 120.400 -0.097 0.000 1.984 464 K HA -0.191 4.137 4.320 0.014 0.000 0.209 464 K C 2.231 178.668 176.600 -0.272 0.000 1.046 464 K CA 2.147 58.246 56.287 -0.313 0.000 0.934 464 K CB -0.370 32.039 32.500 -0.151 0.000 0.717 464 K HN 0.614 nan 8.250 nan 0.000 0.438 465 T N -1.547 112.914 114.554 -0.154 0.000 3.043 465 T HA 0.084 4.442 4.350 0.014 0.000 0.263 465 T C 1.793 176.431 174.700 -0.104 0.000 1.094 465 T CA 0.334 62.363 62.100 -0.118 0.000 1.127 465 T CB 0.358 69.177 68.868 -0.082 0.000 0.905 465 T HN 0.018 nan 8.240 nan 0.000 0.490 466 K N 0.663 120.995 120.400 -0.114 0.000 2.324 466 K HA 0.323 4.651 4.320 0.014 0.000 0.222 466 K C 2.245 178.752 176.600 -0.154 0.000 1.107 466 K CA 0.737 56.956 56.287 -0.113 0.000 0.873 466 K CB -0.409 32.029 32.500 -0.104 0.000 1.270 466 K HN 0.217 nan 8.250 nan 0.000 0.456 467 V N 1.214 120.981 119.914 -0.245 0.000 2.287 467 V HA -0.183 3.945 4.120 0.014 0.000 0.248 467 V C 1.263 177.033 176.094 -0.540 0.000 1.053 467 V CA 1.688 63.697 62.300 -0.486 0.000 1.027 467 V CB -0.408 30.956 31.823 -0.765 0.000 0.646 467 V HN 0.169 nan 8.190 nan 0.000 0.447 468 F N -0.558 119.407 119.950 0.026 0.000 2.928 468 F HA 0.368 4.903 4.527 0.014 0.000 0.337 468 F C 1.471 177.257 175.800 -0.024 0.000 1.259 468 F CA -0.364 57.712 58.000 0.127 0.000 1.267 468 F CB 0.030 39.123 39.000 0.156 0.000 0.986 468 F HN -0.104 nan 8.300 nan 0.000 0.507 469 K N 0.768 121.188 120.400 0.032 0.000 2.063 469 K HA -0.189 4.139 4.320 0.014 0.000 0.208 469 K C 1.220 177.795 176.600 -0.042 0.000 1.048 469 K CA 2.020 58.276 56.287 -0.053 0.000 0.928 469 K CB 0.058 32.516 32.500 -0.070 0.000 0.713 469 K HN 0.209 nan 8.250 nan 0.000 0.442 470 D N -0.230 120.145 120.400 -0.042 0.000 2.218 470 D HA -0.153 4.496 4.640 0.014 0.000 0.204 470 D C 1.615 177.776 176.300 -0.232 0.000 0.976 470 D CA 1.128 55.011 54.000 -0.194 0.000 0.853 470 D CB -0.128 40.483 40.800 -0.314 0.000 0.939 470 D HN 0.260 nan 8.370 nan 0.000 0.481 471 F N 1.107 121.098 119.950 0.069 0.000 2.262 471 F HA -0.066 4.470 4.527 0.014 0.000 0.292 471 F C 2.691 178.593 175.800 0.170 0.000 1.081 471 F CA 0.724 58.827 58.000 0.171 0.000 1.355 471 F CB -0.484 38.690 39.000 0.290 0.000 1.069 471 F HN -0.099 nan 8.300 nan 0.000 0.506 472 S N -0.148 115.600 115.700 0.079 0.000 2.399 472 S HA -0.187 4.292 4.470 0.014 0.000 0.231 472 S C 1.746 176.381 174.600 0.058 0.000 1.022 472 S CA 1.234 59.399 58.200 -0.059 0.000 0.983 472 S CB -0.654 62.295 63.200 -0.418 0.000 0.803 472 S HN 0.452 nan 8.310 nan 0.000 0.480 473 E N 1.055 121.271 120.200 0.026 0.000 2.058 473 E HA -0.074 4.285 4.350 0.014 0.000 0.194 473 E C 2.075 178.738 176.600 0.105 0.000 0.997 473 E CA 1.330 57.752 56.400 0.036 0.000 0.801 473 E CB -0.279 29.410 29.700 -0.020 0.000 0.746 473 E HN 0.475 nan 8.360 nan 0.000 0.450 474 L N 0.458 121.764 121.223 0.140 0.000 2.072 474 L HA -0.092 4.257 4.340 0.014 0.000 0.205 474 L C 0.499 177.479 176.870 0.184 0.000 1.079 474 L CA 1.117 56.065 54.840 0.180 0.000 0.752 474 L CB 0.315 42.490 42.059 0.194 0.000 0.906 474 L HN 0.000 nan 8.230 nan 0.000 0.436 475 E N -0.389 119.950 120.200 0.232 0.000 3.568 475 E HA 0.119 4.478 4.350 0.014 0.000 0.213 475 E C -1.792 174.962 176.600 0.258 0.000 1.197 475 E CA -1.408 55.130 56.400 0.231 0.000 1.126 475 E CB 0.854 30.706 29.700 0.254 0.000 1.285 475 E HN 0.219 nan 8.360 nan 0.000 0.418 476 P HA -0.224 nan 4.420 nan 0.000 0.215 476 P C 0.587 177.988 177.300 0.169 0.000 1.157 476 P CA 1.299 64.494 63.100 0.159 0.000 0.874 476 P CB 0.389 32.146 31.700 0.095 0.000 0.790 477 D N 0.194 120.669 120.400 0.125 0.000 2.178 477 D HA -0.163 4.485 4.640 0.014 0.000 0.201 477 D C 2.046 178.391 176.300 0.075 0.000 0.980 477 D CA 1.019 55.071 54.000 0.087 0.000 0.842 477 D CB -0.303 40.536 40.800 0.065 0.000 0.948 477 D HN 0.342 nan 8.370 nan 0.000 0.472 478 K N 0.270 120.727 120.400 0.095 0.000 2.020 478 K HA -0.161 4.168 4.320 0.014 0.000 0.212 478 K C 0.350 176.864 176.600 -0.143 0.000 1.050 478 K CA 0.749 57.014 56.287 -0.035 0.000 0.929 478 K CB -0.157 32.309 32.500 -0.056 0.000 0.714 478 K HN -0.080 nan 8.250 nan 0.000 0.443 479 F N 2.001 121.935 119.950 -0.026 0.000 2.504 479 F HA 0.131 4.666 4.527 0.014 0.000 0.369 479 F C 0.555 176.311 175.800 -0.073 0.000 1.082 479 F CA 0.189 58.159 58.000 -0.051 0.000 1.216 479 F CB 0.917 39.909 39.000 -0.013 0.000 1.108 479 F HN 0.179 nan 8.300 nan 0.000 0.554 480 Q N 1.643 121.440 119.800 -0.004 0.000 2.873 480 Q HA 0.424 4.773 4.340 0.014 0.000 0.297 480 Q C -0.965 174.990 176.000 -0.075 0.000 1.064 480 Q CA -1.307 54.459 55.803 -0.062 0.000 0.816 480 Q CB 2.595 31.237 28.738 -0.159 0.000 1.481 480 Q HN 0.623 nan 8.270 nan 0.000 0.488 481 N N 0.342 118.979 118.700 -0.106 0.000 2.225 481 N HA 0.277 5.026 4.740 0.014 0.000 0.298 481 N C -1.683 173.732 175.510 -0.158 0.000 1.076 481 N CA -0.415 52.580 53.050 -0.091 0.000 0.792 481 N CB 1.288 39.754 38.487 -0.035 0.000 1.498 481 N HN 0.295 nan 8.380 nan 0.000 0.474 482 K N 2.601 122.914 120.400 -0.145 0.000 2.723 482 K HA 0.190 4.518 4.320 0.014 0.000 0.229 482 K C -0.966 175.654 176.600 0.032 0.000 1.022 482 K CA -0.489 55.694 56.287 -0.173 0.000 1.045 482 K CB 1.146 33.309 32.500 -0.562 0.000 1.227 482 K HN 0.547 nan 8.250 nan 0.000 0.516 483 T N 2.149 116.738 114.554 0.059 0.000 2.908 483 T HA 0.032 4.390 4.350 0.014 0.000 0.301 483 T C 0.872 175.702 174.700 0.216 0.000 1.019 483 T CA 0.457 62.640 62.100 0.138 0.000 1.152 483 T CB 0.255 69.204 68.868 0.134 0.000 0.966 483 T HN 0.362 nan 8.240 nan 0.000 0.540 484 N N 0.477 119.320 118.700 0.239 0.000 2.231 484 N HA 0.409 5.157 4.740 0.014 0.000 0.223 484 N C 0.498 176.187 175.510 0.298 0.000 1.329 484 N CA -0.046 53.171 53.050 0.278 0.000 0.889 484 N CB 0.345 38.934 38.487 0.170 0.000 1.125 484 N HN 0.767 nan 8.380 nan 0.000 0.447 485 G N -0.834 108.145 108.800 0.298 0.000 2.649 485 G HA2 0.581 4.550 3.960 0.014 0.000 0.290 485 G HA3 0.581 4.550 3.960 0.014 0.000 0.290 485 G C -1.528 173.498 174.900 0.210 0.000 1.426 485 G CA -0.724 44.541 45.100 0.276 0.000 0.794 485 G HN 0.608 nan 8.290 nan 0.000 0.483 486 I N -2.295 118.388 120.570 0.189 0.000 2.865 486 I HA 0.742 4.920 4.170 0.014 0.000 0.302 486 I C -0.364 175.909 176.117 0.260 0.000 1.140 486 I CA -0.905 60.505 61.300 0.183 0.000 1.021 486 I CB 2.445 40.447 38.000 0.002 0.000 1.233 486 I HN 0.516 nan 8.210 nan 0.000 0.427 487 T N 4.833 119.591 114.554 0.340 0.000 2.814 487 T HA 0.350 4.708 4.350 0.014 0.000 0.297 487 T C -1.370 173.435 174.700 0.174 0.000 0.956 487 T CA -1.569 60.651 62.100 0.200 0.000 1.123 487 T CB 0.753 69.680 68.868 0.098 0.000 0.902 487 T HN 0.652 nan 8.240 nan 0.000 0.528 488 P HA 0.049 nan 4.420 nan 0.000 0.237 488 P C 1.001 178.245 177.300 -0.093 0.000 1.178 488 P CA 0.267 63.395 63.100 0.048 0.000 0.766 488 P CB 0.394 32.121 31.700 0.044 0.000 0.876 489 R N 0.635 121.021 120.500 -0.190 0.000 2.051 489 R HA 0.015 4.363 4.340 0.014 0.000 0.225 489 R C 2.711 178.847 176.300 -0.274 0.000 1.155 489 R CA 1.559 57.468 56.100 -0.317 0.000 0.945 489 R CB -1.176 28.930 30.300 -0.323 0.000 0.840 489 R HN 0.053 nan 8.270 nan 0.000 0.432 490 R N -0.815 119.477 120.500 -0.346 0.000 2.092 490 R HA -0.096 4.252 4.340 0.014 0.000 0.231 490 R C 0.707 176.584 176.300 -0.705 0.000 1.119 490 R CA 1.455 57.190 56.100 -0.609 0.000 0.970 490 R CB -0.163 29.626 30.300 -0.851 0.000 0.864 490 R HN 0.284 nan 8.270 nan 0.000 0.440 491 W N 0.106 121.347 121.300 -0.099 0.000 3.305 491 W HA 0.315 4.982 4.660 0.013 0.000 0.392 491 W C 0.911 177.385 176.519 -0.075 0.000 1.121 491 W CA -0.615 56.671 57.345 -0.098 0.000 1.909 491 W CB 0.498 29.902 29.460 -0.093 0.000 1.065 491 W HN 0.164 nan 8.180 nan 0.000 0.714 492 L N -2.127 119.133 121.223 0.061 0.000 1.848 492 L HA 0.051 4.399 4.340 0.014 0.000 0.113 492 L C 1.879 178.751 176.870 0.004 0.000 1.456 492 L CA 0.044 54.920 54.840 0.059 0.000 1.065 492 L CB -0.694 41.427 42.059 0.104 0.000 2.149 492 L HN -0.186 nan 8.230 nan 0.000 0.462 493 L N 1.040 122.237 121.223 -0.043 0.000 2.042 493 L HA -0.253 4.095 4.340 0.014 0.000 0.210 493 L C 2.457 179.282 176.870 -0.076 0.000 1.076 493 L CA 1.181 55.984 54.840 -0.063 0.000 0.749 493 L CB -0.530 41.439 42.059 -0.150 0.000 0.893 493 L HN 0.433 nan 8.230 nan 0.000 0.432 494 L N 0.908 122.052 121.223 -0.130 0.000 1.993 494 L HA -0.168 4.180 4.340 0.014 0.000 0.206 494 L C 2.844 179.638 176.870 -0.127 0.000 1.074 494 L CA 2.453 57.203 54.840 -0.151 0.000 0.746 494 L CB -0.853 41.056 42.059 -0.250 0.000 0.896 494 L HN 0.578 nan 8.230 nan 0.000 0.435 495 C N -0.434 118.781 119.300 -0.142 0.000 2.456 495 C HA 0.074 4.543 4.460 0.014 0.000 0.279 495 C C 1.289 176.256 174.990 -0.038 0.000 1.427 495 C CA 0.007 58.969 59.018 -0.093 0.000 1.778 495 C CB -1.222 26.478 27.740 -0.067 0.000 1.842 495 C HN 0.665 nan 8.230 nan 0.000 0.531 496 N N 0.987 119.675 118.700 -0.021 0.000 2.703 496 N HA 0.249 4.997 4.740 0.014 0.000 0.283 496 N C -1.646 173.866 175.510 0.002 0.000 1.851 496 N CA -1.445 51.603 53.050 -0.003 0.000 0.826 496 N CB 0.692 39.187 38.487 0.012 0.000 1.239 496 N HN 0.260 nan 8.380 nan 0.000 0.495 497 P HA -0.126 nan 4.420 nan 0.000 0.216 497 P C 1.383 178.689 177.300 0.010 0.000 1.150 497 P CA 1.202 64.304 63.100 0.004 0.000 0.843 497 P CB 0.224 31.922 31.700 -0.004 0.000 0.787 498 G N 0.717 109.517 108.800 0.001 0.000 2.433 498 G HA2 -0.235 3.733 3.960 0.014 0.000 0.216 498 G HA3 -0.235 3.733 3.960 0.014 0.000 0.216 498 G C 1.696 176.590 174.900 -0.010 0.000 1.186 498 G CA 0.463 45.559 45.100 -0.007 0.000 0.779 498 G HN 0.252 nan 8.290 nan 0.000 0.543 499 L N 0.524 121.741 121.223 -0.009 0.000 2.046 499 L HA -0.038 4.310 4.340 0.014 0.000 0.208 499 L C 3.302 180.170 176.870 -0.003 0.000 1.077 499 L CA 1.537 56.366 54.840 -0.019 0.000 0.747 499 L CB -0.409 41.643 42.059 -0.011 0.000 0.896 499 L HN 0.330 nan 8.230 nan 0.000 0.432 500 A N -0.220 122.625 122.820 0.041 0.000 1.883 500 A HA -0.316 4.012 4.320 0.014 0.000 0.217 500 A C 2.161 179.818 177.584 0.122 0.000 1.186 500 A CA 2.028 54.139 52.037 0.124 0.000 0.624 500 A CB -0.706 18.383 19.000 0.148 0.000 0.822 500 A HN 0.609 nan 8.150 nan 0.000 0.444 501 E N -0.276 119.966 120.200 0.070 0.000 2.058 501 E HA -0.210 4.148 4.350 0.014 0.000 0.194 501 E C 1.990 178.611 176.600 0.035 0.000 0.997 501 E CA 1.250 57.684 56.400 0.057 0.000 0.801 501 E CB -0.257 29.460 29.700 0.028 0.000 0.746 501 E HN 0.587 nan 8.360 nan 0.000 0.450 502 L N 0.703 121.927 121.223 0.003 0.000 1.990 502 L HA -0.237 4.112 4.340 0.014 0.000 0.213 502 L C 2.492 179.352 176.870 -0.016 0.000 1.072 502 L CA 1.579 56.409 54.840 -0.016 0.000 0.755 502 L CB -0.300 41.726 42.059 -0.055 0.000 0.889 502 L HN 0.329 nan 8.230 nan 0.000 0.432 503 I N -0.142 120.390 120.570 -0.063 0.000 2.127 503 I HA -0.318 3.860 4.170 0.014 0.000 0.241 503 I C 2.787 178.838 176.117 -0.111 0.000 1.075 503 I CA 1.358 62.544 61.300 -0.189 0.000 1.334 503 I CB -0.561 37.134 38.000 -0.508 0.000 1.040 503 I HN 0.316 nan 8.210 nan 0.000 0.405 504 A N -0.026 122.839 122.820 0.075 0.000 1.978 504 A HA -0.267 4.061 4.320 0.014 0.000 0.220 504 A C 2.159 179.806 177.584 0.105 0.000 1.170 504 A CA 1.836 54.011 52.037 0.231 0.000 0.636 504 A CB -0.653 18.521 19.000 0.290 0.000 0.810 504 A HN 0.481 nan 8.150 nan 0.000 0.448 505 E N -1.243 118.989 120.200 0.053 0.000 2.516 505 E HA -0.065 4.293 4.350 0.014 0.000 0.199 505 E C 1.099 177.705 176.600 0.009 0.000 1.069 505 E CA 0.508 56.928 56.400 0.033 0.000 0.876 505 E CB 0.181 29.894 29.700 0.022 0.000 0.843 505 E HN 0.325 nan 8.360 nan 0.000 0.530 506 K N -0.977 119.409 120.400 -0.025 0.000 2.511 506 K HA 0.166 4.494 4.320 0.014 0.000 0.206 506 K C 1.460 178.100 176.600 0.066 0.000 1.333 506 K CA 0.388 56.636 56.287 -0.065 0.000 0.957 506 K CB 0.856 33.088 32.500 -0.446 0.000 1.172 506 K HN 0.220 nan 8.250 nan 0.000 0.547 507 I N -3.714 116.888 120.570 0.053 0.000 4.442 507 I HA 0.439 4.617 4.170 0.014 0.000 0.331 507 I C 0.461 176.656 176.117 0.130 0.000 1.364 507 I CA -0.196 61.167 61.300 0.105 0.000 1.207 507 I CB 1.215 39.268 38.000 0.089 0.000 1.298 507 I HN 0.059 nan 8.210 nan 0.000 0.463 508 G N 2.111 110.998 108.800 0.145 0.000 2.566 508 G HA2 -0.171 3.798 3.960 0.014 0.000 0.599 508 G HA3 -0.171 3.798 3.960 0.014 0.000 0.599 508 G C -0.184 174.876 174.900 0.266 0.000 1.292 508 G CA 0.084 45.283 45.100 0.164 0.000 0.922 508 G HN 0.376 nan 8.290 nan 0.000 0.514 509 E N -0.406 119.884 120.200 0.150 0.000 2.276 509 E HA 0.062 4.420 4.350 0.014 0.000 0.193 509 E C 1.640 178.193 176.600 -0.077 0.000 0.983 509 E CA 0.494 56.911 56.400 0.028 0.000 0.861 509 E CB 0.056 29.761 29.700 0.008 0.000 0.817 509 E HN 0.454 nan 8.360 nan 0.000 0.485 510 D N 1.091 121.519 120.400 0.046 0.000 2.218 510 D HA -0.252 4.396 4.640 0.014 0.000 0.194 510 D C 1.730 178.052 176.300 0.037 0.000 1.007 510 D CA 1.393 55.420 54.000 0.044 0.000 0.879 510 D CB -0.465 40.385 40.800 0.083 0.000 0.918 510 D HN 0.481 nan 8.370 nan 0.000 0.449 511 Y N 0.015 120.340 120.300 0.042 0.000 2.465 511 Y HA -0.164 4.394 4.550 0.013 0.000 0.289 511 Y C 2.061 177.973 175.900 0.020 0.000 1.150 511 Y CA 1.035 59.154 58.100 0.031 0.000 1.293 511 Y CB -1.015 37.462 38.460 0.028 0.000 0.977 511 Y HN 0.029 nan 8.280 nan 0.000 0.556 512 V N -0.217 119.366 119.914 -0.553 0.000 2.270 512 V HA -0.172 3.956 4.120 0.014 0.000 0.245 512 V C 1.794 177.802 176.094 -0.144 0.000 1.043 512 V CA 1.891 63.926 62.300 -0.442 0.000 1.014 512 V CB -0.731 30.818 31.823 -0.458 0.000 0.645 512 V HN 0.360 nan 8.190 nan 0.000 0.447 513 K N 0.566 120.945 120.400 -0.034 0.000 2.417 513 K HA 0.180 4.508 4.320 0.014 0.000 0.196 513 K C -0.001 176.617 176.600 0.030 0.000 1.023 513 K CA 0.642 56.948 56.287 0.032 0.000 1.122 513 K CB 0.133 32.673 32.500 0.067 0.000 0.850 513 K HN 0.565 nan 8.250 nan 0.000 0.521 514 D N 0.487 120.908 120.400 0.034 0.000 3.036 514 D HA 0.015 4.664 4.640 0.014 0.000 0.244 514 D C 0.206 176.557 176.300 0.086 0.000 1.337 514 D CA -0.256 53.775 54.000 0.052 0.000 0.829 514 D CB 0.218 41.048 40.800 0.050 0.000 1.478 514 D HN -0.144 nan 8.370 nan 0.000 0.570 515 L N 1.447 122.724 121.223 0.090 0.000 2.263 515 L HA -0.085 4.263 4.340 0.014 0.000 0.216 515 L C 2.114 179.046 176.870 0.103 0.000 1.111 515 L CA 1.840 56.759 54.840 0.132 0.000 0.773 515 L CB -0.590 41.538 42.059 0.115 0.000 0.906 515 L HN 0.389 nan 8.230 nan 0.000 0.439 516 S N -1.134 114.605 115.700 0.065 0.000 2.402 516 S HA -0.231 4.248 4.470 0.014 0.000 0.233 516 S C 1.799 176.438 174.600 0.064 0.000 1.030 516 S CA 1.098 59.324 58.200 0.044 0.000 1.003 516 S CB -0.241 62.973 63.200 0.024 0.000 0.813 516 S HN 0.564 nan 8.310 nan 0.000 0.477 517 Q N 0.606 120.459 119.800 0.089 0.000 2.541 517 Q HA 0.112 4.461 4.340 0.014 0.000 0.215 517 Q C 1.798 177.854 176.000 0.093 0.000 0.977 517 Q CA 0.352 56.213 55.803 0.098 0.000 0.934 517 Q CB -0.514 28.299 28.738 0.124 0.000 0.988 517 Q HN 0.593 nan 8.270 nan 0.000 0.521 518 L N 0.533 121.803 121.223 0.078 0.000 2.376 518 L HA -0.121 4.228 4.340 0.014 0.000 0.219 518 L C 2.238 179.118 176.870 0.016 0.000 1.133 518 L CA 1.382 56.233 54.840 0.018 0.000 0.816 518 L CB -0.646 41.418 42.059 0.008 0.000 0.933 518 L HN 0.281 nan 8.230 nan 0.000 0.449 519 T N -3.363 111.235 114.554 0.073 0.000 2.929 519 T HA -0.206 4.152 4.350 0.014 0.000 0.271 519 T C 1.668 176.482 174.700 0.190 0.000 1.085 519 T CA 0.864 63.068 62.100 0.174 0.000 1.125 519 T CB -0.243 68.743 68.868 0.197 0.000 0.874 519 T HN 0.303 nan 8.240 nan 0.000 0.494 520 K N 0.953 121.412 120.400 0.099 0.000 2.281 520 K HA 0.107 4.435 4.320 0.014 0.000 0.203 520 K C 1.889 178.549 176.600 0.101 0.000 1.046 520 K CA 0.866 57.202 56.287 0.082 0.000 0.938 520 K CB -0.489 32.059 32.500 0.080 0.000 0.737 520 K HN 0.392 nan 8.250 nan 0.000 0.458 521 L N 0.269 121.537 121.223 0.074 0.000 2.642 521 L HA -0.148 4.201 4.340 0.014 0.000 0.236 521 L C 1.430 178.322 176.870 0.036 0.000 1.169 521 L CA 0.797 55.694 54.840 0.095 0.000 0.851 521 L CB -0.557 41.459 42.059 -0.071 0.000 0.968 521 L HN 0.272 nan 8.230 nan 0.000 0.453 522 H N -1.566 117.517 119.070 0.021 0.000 2.502 522 H HA -0.041 4.523 4.556 0.015 0.000 0.283 522 H C 2.338 177.587 175.328 -0.131 0.000 1.015 522 H CA 0.996 57.028 56.048 -0.027 0.000 1.298 522 H CB 0.275 30.014 29.762 -0.038 0.000 1.411 522 H HN 0.232 nan 8.280 nan 0.000 0.556 523 S N 0.163 115.732 115.700 -0.219 0.000 2.469 523 S HA -0.105 4.373 4.470 0.014 0.000 0.238 523 S C 0.698 174.916 174.600 -0.637 0.000 0.998 523 S CA 0.844 58.735 58.200 -0.516 0.000 0.957 523 S CB -0.144 62.565 63.200 -0.818 0.000 0.764 523 S HN 0.368 nan 8.310 nan 0.000 0.514 524 F N 0.433 120.266 119.950 -0.196 0.000 2.664 524 F HA 0.425 4.961 4.527 0.015 0.000 0.303 524 F C 1.291 177.057 175.800 -0.058 0.000 1.092 524 F CA -0.495 57.371 58.000 -0.223 0.000 1.305 524 F CB -0.649 37.956 39.000 -0.659 0.000 1.054 524 F HN 0.039 nan 8.300 nan 0.000 0.565 525 L N 0.291 121.579 121.223 0.108 0.000 2.189 525 L HA -0.192 4.156 4.340 0.014 0.000 0.214 525 L C 2.428 179.369 176.870 0.117 0.000 1.097 525 L CA 1.605 56.521 54.840 0.127 0.000 0.764 525 L CB -0.668 41.449 42.059 0.098 0.000 0.900 525 L HN 0.430 nan 8.230 nan 0.000 0.436 526 G N -2.072 106.781 108.800 0.089 0.000 2.656 526 G HA2 -0.130 3.838 3.960 0.014 0.000 0.211 526 G HA3 -0.130 3.838 3.960 0.014 0.000 0.211 526 G C 0.351 175.314 174.900 0.106 0.000 1.137 526 G CA -0.239 44.907 45.100 0.077 0.000 0.802 526 G HN 0.201 nan 8.290 nan 0.000 0.527 527 D N 1.189 121.681 120.400 0.152 0.000 2.368 527 D HA 0.070 4.718 4.640 0.014 0.000 0.268 527 D C 0.510 176.930 176.300 0.200 0.000 1.298 527 D CA -0.148 53.966 54.000 0.189 0.000 0.938 527 D CB 0.708 41.677 40.800 0.282 0.000 1.101 527 D HN 0.031 nan 8.370 nan 0.000 0.509 528 D N 2.673 123.149 120.400 0.126 0.000 2.219 528 D HA -0.112 4.537 4.640 0.014 0.000 0.205 528 D C 2.024 178.372 176.300 0.080 0.000 0.970 528 D CA 0.519 54.574 54.000 0.091 0.000 0.851 528 D CB 0.286 41.120 40.800 0.056 0.000 0.943 528 D HN 0.282 nan 8.370 nan 0.000 0.488 529 V N 0.464 120.438 119.914 0.100 0.000 2.427 529 V HA -0.185 3.943 4.120 0.014 0.000 0.248 529 V C 1.948 178.091 176.094 0.083 0.000 1.051 529 V CA 1.037 63.383 62.300 0.076 0.000 1.048 529 V CB -0.498 31.376 31.823 0.084 0.000 0.666 529 V HN 0.152 nan 8.190 nan 0.000 0.456 530 F N 0.301 120.253 119.950 0.003 0.000 2.234 530 F HA -0.072 4.464 4.527 0.016 0.000 0.299 530 F C 1.937 177.714 175.800 -0.038 0.000 1.087 530 F CA 1.434 59.406 58.000 -0.047 0.000 1.340 530 F CB -0.131 38.835 39.000 -0.057 0.000 1.031 530 F HN 0.025 nan 8.300 nan 0.000 0.500 531 L N -0.177 121.012 121.223 -0.057 0.000 2.109 531 L HA -0.124 4.224 4.340 0.014 0.000 0.207 531 L C 2.533 179.308 176.870 -0.159 0.000 1.086 531 L CA 1.080 55.839 54.840 -0.135 0.000 0.760 531 L CB -0.581 41.492 42.059 0.022 0.000 0.910 531 L HN 0.056 nan 8.230 nan 0.000 0.437 532 R N 0.144 120.582 120.500 -0.104 0.000 2.075 532 R HA -0.142 4.206 4.340 0.014 0.000 0.232 532 R C 2.101 178.318 176.300 -0.139 0.000 1.126 532 R CA 1.173 57.217 56.100 -0.094 0.000 0.963 532 R CB -0.203 30.064 30.300 -0.053 0.000 0.858 532 R HN 0.400 nan 8.270 nan 0.000 0.435 533 E N 0.584 120.672 120.200 -0.186 0.000 2.150 533 E HA -0.181 4.177 4.350 0.014 0.000 0.193 533 E C 1.843 178.269 176.600 -0.291 0.000 0.985 533 E CA 0.753 57.026 56.400 -0.211 0.000 0.814 533 E CB -0.010 29.570 29.700 -0.199 0.000 0.752 533 E HN 0.097 nan 8.360 nan 0.000 0.466 534 L N 0.740 121.693 121.223 -0.449 0.000 2.027 534 L HA -0.074 4.274 4.340 0.014 0.000 0.206 534 L C 2.169 178.920 176.870 -0.199 0.000 1.074 534 L CA 1.937 56.529 54.840 -0.413 0.000 0.745 534 L CB -0.542 41.193 42.059 -0.539 0.000 0.898 534 L HN 0.022 nan 8.230 nan 0.000 0.433 535 A N -0.582 122.144 122.820 -0.157 0.000 1.930 535 A HA -0.228 4.100 4.320 0.014 0.000 0.217 535 A C 2.313 179.843 177.584 -0.089 0.000 1.175 535 A CA 1.816 53.798 52.037 -0.091 0.000 0.627 535 A CB -0.589 18.360 19.000 -0.085 0.000 0.815 535 A HN 0.433 nan 8.150 nan 0.000 0.443 536 K N 0.156 120.495 120.400 -0.100 0.000 2.026 536 K HA -0.077 4.251 4.320 0.014 0.000 0.208 536 K C 1.670 178.229 176.600 -0.068 0.000 1.048 536 K CA 1.981 58.221 56.287 -0.079 0.000 0.929 536 K CB -0.904 31.550 32.500 -0.077 0.000 0.713 536 K HN 0.168 nan 8.250 nan 0.000 0.439 537 V N 1.226 121.092 119.914 -0.081 0.000 2.255 537 V HA -0.273 3.855 4.120 0.014 0.000 0.247 537 V C 2.409 178.479 176.094 -0.042 0.000 1.051 537 V CA 2.314 64.577 62.300 -0.061 0.000 1.018 537 V CB -0.634 31.144 31.823 -0.076 0.000 0.641 537 V HN 0.412 nan 8.190 nan 0.000 0.445 538 K N -0.206 120.168 120.400 -0.043 0.000 2.103 538 K HA -0.206 4.122 4.320 0.014 0.000 0.207 538 K C 2.204 178.775 176.600 -0.048 0.000 1.048 538 K CA 1.544 57.816 56.287 -0.024 0.000 0.930 538 K CB -0.432 32.069 32.500 0.002 0.000 0.716 538 K HN 0.328 nan 8.250 nan 0.000 0.444 539 Q N 0.499 120.262 119.800 -0.062 0.000 2.050 539 Q HA -0.173 4.175 4.340 0.014 0.000 0.202 539 Q C 1.994 177.969 176.000 -0.042 0.000 0.980 539 Q CA 1.862 57.620 55.803 -0.074 0.000 0.840 539 Q CB -0.376 28.321 28.738 -0.069 0.000 0.898 539 Q HN 0.422 nan 8.270 nan 0.000 0.424 540 E N 0.758 120.943 120.200 -0.024 0.000 2.160 540 E HA -0.139 4.219 4.350 0.014 0.000 0.195 540 E C 1.356 177.973 176.600 0.028 0.000 0.991 540 E CA 1.535 57.935 56.400 0.001 0.000 0.810 540 E CB -0.224 29.474 29.700 -0.004 0.000 0.742 540 E HN 0.450 nan 8.360 nan 0.000 0.466 541 N N -0.403 118.310 118.700 0.023 0.000 2.171 541 N HA -0.090 4.659 4.740 0.014 0.000 0.184 541 N C 1.629 177.213 175.510 0.123 0.000 1.021 541 N CA 1.131 54.216 53.050 0.058 0.000 0.854 541 N CB -0.028 38.476 38.487 0.028 0.000 0.994 541 N HN 0.074 nan 8.380 nan 0.000 0.426 542 K N 0.576 121.006 120.400 0.049 0.000 2.097 542 K HA -0.096 4.233 4.320 0.014 0.000 0.206 542 K C 1.879 178.578 176.600 0.164 0.000 1.049 542 K CA 0.767 57.080 56.287 0.044 0.000 0.933 542 K CB -0.116 32.162 32.500 -0.370 0.000 0.717 542 K HN 0.073 nan 8.250 nan 0.000 0.442 543 L N 1.694 122.970 121.223 0.087 0.000 2.072 543 L HA -0.109 4.240 4.340 0.014 0.000 0.205 543 L C 2.230 179.185 176.870 0.142 0.000 1.079 543 L CA 1.665 56.566 54.840 0.101 0.000 0.752 543 L CB -0.182 41.908 42.059 0.051 0.000 0.906 543 L HN -0.008 nan 8.230 nan 0.000 0.436 544 K N -1.620 118.870 120.400 0.151 0.000 2.211 544 K HA -0.214 4.114 4.320 0.014 0.000 0.203 544 K C 1.983 178.736 176.600 0.254 0.000 1.050 544 K CA 1.424 57.810 56.287 0.165 0.000 0.945 544 K CB -0.169 32.411 32.500 0.135 0.000 0.732 544 K HN 0.312 nan 8.250 nan 0.000 0.451 545 F N 0.391 120.437 119.950 0.160 0.000 2.569 545 F HA 0.117 4.657 4.527 0.021 0.000 0.295 545 F C 1.836 177.820 175.800 0.306 0.000 1.115 545 F CA 0.521 58.650 58.000 0.216 0.000 1.450 545 F CB 0.072 39.192 39.000 0.200 0.000 1.107 545 F HN -0.092 nan 8.300 nan 0.000 0.563 546 S N 0.253 116.070 115.700 0.194 0.000 2.368 546 S HA -0.198 4.280 4.470 0.014 0.000 0.224 546 S C 1.864 176.482 174.600 0.029 0.000 1.029 546 S CA 1.308 59.574 58.200 0.109 0.000 0.988 546 S CB -0.317 63.014 63.200 0.220 0.000 0.838 546 S HN 0.505 nan 8.310 nan 0.000 0.462 547 Q N -0.406 119.440 119.800 0.076 0.000 2.170 547 Q HA -0.118 4.230 4.340 0.014 0.000 0.203 547 Q C 1.829 177.854 176.000 0.041 0.000 0.976 547 Q CA 1.286 57.124 55.803 0.058 0.000 0.858 547 Q CB -0.264 28.522 28.738 0.081 0.000 0.907 547 Q HN 0.621 nan 8.270 nan 0.000 0.433 548 F N 0.775 120.661 119.950 -0.106 0.000 2.146 548 F HA -0.128 4.407 4.527 0.013 0.000 0.298 548 F C 1.606 177.322 175.800 -0.140 0.000 1.096 548 F CA 1.068 58.996 58.000 -0.120 0.000 1.275 548 F CB 0.055 38.967 39.000 -0.145 0.000 1.008 548 F HN -0.052 nan 8.300 nan 0.000 0.480 549 L N -0.082 121.073 121.223 -0.114 0.000 2.376 549 L HA -0.084 4.264 4.340 0.014 0.000 0.219 549 L C 1.873 178.758 176.870 0.025 0.000 1.133 549 L CA 0.987 55.811 54.840 -0.027 0.000 0.816 549 L CB -0.523 41.437 42.059 -0.164 0.000 0.933 549 L HN 0.228 nan 8.230 nan 0.000 0.449 550 E N -0.738 119.436 120.200 -0.043 0.000 2.340 550 E HA -0.073 4.285 4.350 0.014 0.000 0.194 550 E C 1.874 178.428 176.600 -0.076 0.000 0.996 550 E CA 1.158 57.541 56.400 -0.027 0.000 0.869 550 E CB 0.210 29.905 29.700 -0.008 0.000 0.835 550 E HN 0.440 nan 8.360 nan 0.000 0.493 551 T N -1.770 112.699 114.554 -0.142 0.000 3.129 551 T HA 0.086 4.445 4.350 0.014 0.000 0.251 551 T C 1.462 176.001 174.700 -0.268 0.000 1.117 551 T CA 0.479 62.478 62.100 -0.168 0.000 1.034 551 T CB 0.346 69.121 68.868 -0.155 0.000 0.968 551 T HN -0.063 nan 8.240 nan 0.000 0.526 552 E N -0.552 119.427 120.200 -0.369 0.000 2.357 552 E HA 0.306 4.664 4.350 0.014 0.000 0.202 552 E C -0.694 175.529 176.600 -0.628 0.000 0.855 552 E CA -0.053 55.989 56.400 -0.597 0.000 1.048 552 E CB 0.525 29.658 29.700 -0.945 0.000 1.037 552 E HN 0.603 nan 8.360 nan 0.000 0.499 553 Y N 0.525 120.740 120.300 -0.142 0.000 2.496 553 Y HA 0.327 4.885 4.550 0.014 0.000 0.331 553 Y C 1.289 177.149 175.900 -0.066 0.000 1.140 553 Y CA -0.688 57.362 58.100 -0.083 0.000 1.166 553 Y CB 1.053 39.469 38.460 -0.072 0.000 1.249 553 Y HN -0.211 nan 8.280 nan 0.000 0.479 554 K N 1.021 121.489 120.400 0.113 0.000 1.973 554 K HA -0.084 4.244 4.320 0.014 0.000 0.212 554 K C 0.539 177.166 176.600 0.045 0.000 1.047 554 K CA 1.263 57.581 56.287 0.051 0.000 0.937 554 K CB -0.380 32.146 32.500 0.042 0.000 0.721 554 K HN 0.625 nan 8.250 nan 0.000 0.440 555 V N 1.063 121.006 119.914 0.049 0.000 3.233 555 V HA -0.120 4.009 4.120 0.014 0.000 0.290 555 V C -0.127 175.979 176.094 0.019 0.000 1.275 555 V CA 0.261 62.574 62.300 0.022 0.000 1.375 555 V CB 0.103 31.925 31.823 -0.003 0.000 0.980 555 V HN 0.393 nan 8.190 nan 0.000 0.521 556 K N 3.697 124.105 120.400 0.013 0.000 2.274 556 K HA 0.545 4.874 4.320 0.014 0.000 0.262 556 K C -0.790 175.824 176.600 0.023 0.000 0.961 556 K CA -0.961 55.338 56.287 0.019 0.000 0.833 556 K CB 1.133 33.645 32.500 0.020 0.000 1.102 556 K HN 0.721 nan 8.250 nan 0.000 0.436 557 I N 3.312 123.903 120.570 0.036 0.000 2.428 557 I HA 0.081 4.259 4.170 0.014 0.000 0.289 557 I C 0.382 176.558 176.117 0.098 0.000 1.019 557 I CA -0.496 60.843 61.300 0.065 0.000 1.351 557 I CB 0.834 38.891 38.000 0.095 0.000 1.412 557 I HN 0.681 nan 8.210 nan 0.000 0.513 558 N N 9.036 127.808 118.700 0.120 0.000 2.415 558 N HA 0.171 4.919 4.740 0.014 0.000 0.246 558 N C -1.634 173.973 175.510 0.162 0.000 1.078 558 N CA -1.694 51.426 53.050 0.116 0.000 0.942 558 N CB 1.453 40.002 38.487 0.104 0.000 1.140 558 N HN 0.321 nan 8.380 nan 0.000 0.501 559 P HA -0.089 nan 4.420 nan 0.000 0.225 559 P C 0.703 178.011 177.300 0.013 0.000 1.148 559 P CA 0.889 64.034 63.100 0.076 0.000 0.779 559 P CB 0.272 32.000 31.700 0.047 0.000 0.780 560 S N -1.541 114.181 115.700 0.037 0.000 2.556 560 S HA 0.080 4.559 4.470 0.014 0.000 0.216 560 S C 1.089 175.727 174.600 0.063 0.000 0.970 560 S CA -0.266 57.948 58.200 0.022 0.000 0.912 560 S CB -0.886 62.327 63.200 0.021 0.000 0.790 560 S HN 0.241 nan 8.310 nan 0.000 0.504 561 S N 1.589 117.343 115.700 0.090 0.000 2.608 561 S HA 0.422 4.901 4.470 0.014 0.000 0.261 561 S C 0.026 174.629 174.600 0.005 0.000 1.314 561 S CA -0.781 57.471 58.200 0.087 0.000 0.992 561 S CB 0.197 63.493 63.200 0.160 0.000 0.935 561 S HN 0.493 nan 8.310 nan 0.000 0.564 562 M N 2.068 121.529 119.600 -0.232 0.000 2.180 562 M HA 0.349 4.837 4.480 0.014 0.000 0.358 562 M C -1.676 174.619 176.300 -0.009 0.000 1.233 562 M CA -0.490 54.451 55.300 -0.599 0.000 1.114 562 M CB 0.031 31.879 32.600 -1.253 0.000 1.594 562 M HN 0.678 nan 8.290 nan 0.000 0.467 563 F N 3.733 123.556 119.950 -0.212 0.000 2.423 563 F HA 0.194 4.726 4.527 0.009 0.000 0.356 563 F C 0.357 176.095 175.800 -0.103 0.000 1.170 563 F CA -0.867 57.081 58.000 -0.087 0.000 1.163 563 F CB -0.330 38.678 39.000 0.015 0.000 1.318 563 F HN 0.452 nan 8.300 nan 0.000 0.569 564 D N 3.870 124.270 120.400 -0.000 0.000 2.380 564 D HA 0.323 4.972 4.640 0.014 0.000 0.230 564 D C -0.836 175.399 176.300 -0.109 0.000 1.154 564 D CA 0.026 53.983 54.000 -0.072 0.000 0.859 564 D CB 0.958 41.711 40.800 -0.079 0.000 1.045 564 D HN 0.271 nan 8.370 nan 0.000 0.495 565 V N 1.796 121.614 119.914 -0.160 0.000 2.823 565 V HA 0.625 4.753 4.120 0.014 0.000 0.312 565 V C -1.244 174.687 176.094 -0.272 0.000 1.072 565 V CA -0.797 61.389 62.300 -0.190 0.000 0.937 565 V CB 1.975 33.730 31.823 -0.112 0.000 1.013 565 V HN 0.497 nan 8.190 nan 0.000 0.430 566 Q N 3.116 122.778 119.800 -0.230 0.000 2.337 566 Q HA 0.695 5.043 4.340 0.014 0.000 0.264 566 Q C -1.540 174.289 176.000 -0.285 0.000 1.007 566 Q CA -0.646 55.017 55.803 -0.233 0.000 0.727 566 Q CB 2.038 30.661 28.738 -0.191 0.000 1.256 566 Q HN 1.247 nan 8.270 nan 0.000 0.467 567 V N 1.592 121.333 119.914 -0.288 0.000 2.525 567 V HA 0.863 4.991 4.120 0.014 0.000 0.299 567 V C -0.951 174.873 176.094 -0.450 0.000 1.034 567 V CA -0.595 61.322 62.300 -0.637 0.000 0.863 567 V CB 1.181 32.357 31.823 -1.079 0.000 0.999 567 V HN 0.854 nan 8.190 nan 0.000 0.423 568 K N 2.507 122.703 120.400 -0.340 0.000 3.040 568 K HA 0.467 4.795 4.320 0.014 0.000 0.300 568 K C -1.190 175.415 176.600 0.008 0.000 1.092 568 K CA -1.244 55.034 56.287 -0.016 0.000 0.831 568 K CB 0.852 33.336 32.500 -0.027 0.000 1.469 568 K HN 0.415 nan 8.250 nan 0.000 0.365 569 R N 0.737 121.290 120.500 0.088 0.000 2.756 569 R HA 0.148 4.497 4.340 0.014 0.000 0.264 569 R C 0.293 176.513 176.300 -0.133 0.000 1.026 569 R CA -0.286 55.828 56.100 0.023 0.000 1.121 569 R CB -0.204 30.153 30.300 0.094 0.000 0.999 569 R HN 0.487 nan 8.270 nan 0.000 0.449 570 I N 4.749 125.176 120.570 -0.237 0.000 2.322 570 I HA 0.145 4.324 4.170 0.014 0.000 0.292 570 I C 0.673 176.459 176.117 -0.552 0.000 1.060 570 I CA 0.344 61.465 61.300 -0.297 0.000 1.309 570 I CB -0.225 37.661 38.000 -0.190 0.000 1.415 570 I HN 0.275 nan 8.210 nan 0.000 0.492 571 H N 4.417 123.368 119.070 -0.199 0.000 2.928 571 H HA 0.300 4.865 4.556 0.014 0.000 0.371 571 H C 0.344 175.526 175.328 -0.243 0.000 1.186 571 H CA -0.531 55.435 56.048 -0.136 0.000 1.134 571 H CB 1.974 31.563 29.762 -0.289 0.000 1.824 571 H HN 0.462 nan 8.280 nan 0.000 0.554 572 E N 0.675 120.897 120.200 0.036 0.000 2.208 572 E HA -0.150 4.208 4.350 0.014 0.000 0.193 572 E C 1.370 177.693 176.600 -0.461 0.000 0.988 572 E CA 0.903 57.265 56.400 -0.064 0.000 0.828 572 E CB 0.118 29.971 29.700 0.255 0.000 0.763 572 E HN 0.533 nan 8.360 nan 0.000 0.478 573 Y N 0.995 120.744 120.300 -0.919 0.000 2.263 573 Y HA 0.053 4.612 4.550 0.015 0.000 0.292 573 Y C 1.577 177.187 175.900 -0.482 0.000 1.130 573 Y CA 0.829 58.177 58.100 -1.254 0.000 1.179 573 Y CB -0.128 37.654 38.460 -1.130 0.000 0.998 573 Y HN -0.244 nan 8.280 nan 0.000 0.532 574 K N 0.767 120.667 120.400 -0.834 0.000 2.365 574 K HA 0.023 4.351 4.320 0.014 0.000 0.199 574 K C -0.007 176.412 176.600 -0.302 0.000 1.045 574 K CA 0.700 56.639 56.287 -0.579 0.000 0.962 574 K CB -0.091 32.071 32.500 -0.563 0.000 0.759 574 K HN 0.280 nan 8.250 nan 0.000 0.469 575 R N 0.513 120.851 120.500 -0.272 0.000 3.205 575 R HA -0.219 4.129 4.340 0.014 0.000 0.249 575 R C 0.098 176.304 176.300 -0.158 0.000 0.937 575 R CA 0.123 56.116 56.100 -0.178 0.000 0.641 575 R CB -1.836 28.379 30.300 -0.140 0.000 1.114 575 R HN 0.281 nan 8.270 nan 0.000 0.451 576 Q N 0.459 120.167 119.800 -0.153 0.000 2.364 576 Q HA 0.037 4.385 4.340 0.014 0.000 0.207 576 Q C 2.035 177.980 176.000 -0.092 0.000 0.970 576 Q CA 1.048 56.777 55.803 -0.124 0.000 0.888 576 Q CB 0.115 28.784 28.738 -0.114 0.000 0.951 576 Q HN 0.591 nan 8.270 nan 0.000 0.469 577 L N -0.537 120.631 121.223 -0.092 0.000 2.017 577 L HA -0.206 4.142 4.340 0.014 0.000 0.208 577 L C 1.980 178.844 176.870 -0.011 0.000 1.073 577 L CA 0.824 55.626 54.840 -0.063 0.000 0.745 577 L CB -0.389 41.634 42.059 -0.060 0.000 0.894 577 L HN 0.331 nan 8.230 nan 0.000 0.432 578 L N 0.237 121.444 121.223 -0.028 0.000 2.043 578 L HA -0.304 4.044 4.340 0.014 0.000 0.212 578 L C 2.065 178.980 176.870 0.074 0.000 1.075 578 L CA 2.154 56.995 54.840 0.001 0.000 0.752 578 L CB -1.011 40.947 42.059 -0.169 0.000 0.891 578 L HN 0.353 nan 8.230 nan 0.000 0.432 579 N N -1.953 116.750 118.700 0.004 0.000 2.188 579 N HA -0.241 4.507 4.740 0.014 0.000 0.184 579 N C 2.100 177.720 175.510 0.183 0.000 1.018 579 N CA 1.221 54.371 53.050 0.166 0.000 0.858 579 N CB -0.200 38.310 38.487 0.038 0.000 0.989 579 N HN 0.555 nan 8.380 nan 0.000 0.426 580 C N 0.548 119.884 119.300 0.060 0.000 2.435 580 C HA 0.070 4.538 4.460 0.014 0.000 0.279 580 C C 2.420 177.428 174.990 0.031 0.000 1.321 580 C CA 0.260 59.271 59.018 -0.012 0.000 1.752 580 C CB -1.267 26.413 27.740 -0.099 0.000 1.959 580 C HN 0.488 nan 8.230 nan 0.000 0.500 581 L N -0.478 120.826 121.223 0.135 0.000 2.291 581 L HA -0.102 4.247 4.340 0.014 0.000 0.214 581 L C 2.655 179.725 176.870 0.333 0.000 1.120 581 L CA 1.427 56.391 54.840 0.206 0.000 0.799 581 L CB -1.013 41.210 42.059 0.272 0.000 0.925 581 L HN 0.590 nan 8.230 nan 0.000 0.446 582 H N -0.079 119.137 119.070 0.242 0.000 2.372 582 H HA -0.079 4.486 4.556 0.014 0.000 0.301 582 H C 2.215 177.590 175.328 0.078 0.000 1.065 582 H CA 1.393 57.532 56.048 0.151 0.000 1.364 582 H CB 0.507 30.335 29.762 0.110 0.000 1.406 582 H HN 0.083 nan 8.280 nan 0.000 0.521 583 V N 1.668 121.549 119.914 -0.055 0.000 2.343 583 V HA -0.270 3.859 4.120 0.014 0.000 0.247 583 V C 2.760 178.826 176.094 -0.047 0.000 1.051 583 V CA 1.803 64.027 62.300 -0.127 0.000 1.036 583 V CB -0.486 31.285 31.823 -0.085 0.000 0.654 583 V HN 0.395 nan 8.190 nan 0.000 0.451 584 I N -0.153 120.414 120.570 -0.005 0.000 2.286 584 I HA -0.215 3.964 4.170 0.014 0.000 0.248 584 I C 2.479 178.698 176.117 0.169 0.000 1.115 584 I CA 1.689 63.054 61.300 0.108 0.000 1.392 584 I CB -0.689 37.362 38.000 0.085 0.000 1.065 584 I HN 0.309 nan 8.210 nan 0.000 0.418 585 T N 0.821 115.443 114.554 0.114 0.000 2.821 585 T HA -0.124 4.235 4.350 0.014 0.000 0.267 585 T C 1.938 176.665 174.700 0.044 0.000 1.046 585 T CA 1.324 63.493 62.100 0.114 0.000 1.139 585 T CB -0.122 68.857 68.868 0.185 0.000 0.871 585 T HN 0.262 nan 8.240 nan 0.000 0.454 586 M N -0.338 119.242 119.600 -0.034 0.000 2.132 586 M HA -0.033 4.455 4.480 0.014 0.000 0.263 586 M C 2.187 178.496 176.300 0.015 0.000 1.065 586 M CA 1.519 56.836 55.300 0.030 0.000 1.122 586 M CB -0.499 32.112 32.600 0.019 0.000 1.365 586 M HN 0.252 nan 8.290 nan 0.000 0.411 587 Y N 2.177 122.431 120.300 -0.077 0.000 2.030 587 Y HA -0.312 4.246 4.550 0.014 0.000 0.274 587 Y C 2.204 178.062 175.900 -0.069 0.000 1.153 587 Y CA 1.936 59.992 58.100 -0.072 0.000 1.115 587 Y CB -0.690 37.797 38.460 0.045 0.000 0.969 587 Y HN 0.261 nan 8.280 nan 0.000 0.488 588 N N 0.578 119.253 118.700 -0.043 0.000 2.091 588 N HA -0.227 4.522 4.740 0.014 0.000 0.193 588 N C 1.912 177.309 175.510 -0.188 0.000 1.021 588 N CA 2.031 54.980 53.050 -0.169 0.000 0.862 588 N CB -0.497 37.967 38.487 -0.039 0.000 1.018 588 N HN 0.481 nan 8.380 nan 0.000 0.429 589 R N 0.541 120.978 120.500 -0.105 0.000 2.091 589 R HA 0.004 4.353 4.340 0.014 0.000 0.238 589 R C 2.362 178.580 176.300 -0.137 0.000 1.136 589 R CA 0.911 56.967 56.100 -0.074 0.000 0.959 589 R CB -0.316 29.995 30.300 0.019 0.000 0.856 589 R HN 0.282 nan 8.270 nan 0.000 0.437 590 I N 0.864 121.284 120.570 -0.251 0.000 2.252 590 I HA -0.269 3.909 4.170 0.014 0.000 0.245 590 I C 2.174 178.124 176.117 -0.279 0.000 1.102 590 I CA 1.401 62.506 61.300 -0.324 0.000 1.385 590 I CB -0.212 37.473 38.000 -0.525 0.000 1.064 590 I HN 0.136 nan 8.210 nan 0.000 0.414 591 K N 0.786 120.971 120.400 -0.359 0.000 2.057 591 K HA -0.204 4.124 4.320 0.014 0.000 0.206 591 K C 2.179 178.665 176.600 -0.190 0.000 1.050 591 K CA 1.140 57.246 56.287 -0.301 0.000 0.935 591 K CB -0.129 32.124 32.500 -0.411 0.000 0.715 591 K HN 0.203 nan 8.250 nan 0.000 0.439 592 K N 0.823 121.119 120.400 -0.174 0.000 2.026 592 K HA -0.155 4.173 4.320 0.014 0.000 0.208 592 K C 0.440 176.989 176.600 -0.085 0.000 1.048 592 K CA 1.490 57.709 56.287 -0.113 0.000 0.929 592 K CB 0.189 32.632 32.500 -0.095 0.000 0.713 592 K HN -0.063 nan 8.250 nan 0.000 0.439 593 D N 0.276 120.626 120.400 -0.083 0.000 2.502 593 D HA 0.148 4.797 4.640 0.014 0.000 0.301 593 D C -2.264 173.998 176.300 -0.064 0.000 1.202 593 D CA -1.810 52.156 54.000 -0.056 0.000 0.878 593 D CB 1.359 42.141 40.800 -0.031 0.000 1.062 593 D HN 0.134 nan 8.370 nan 0.000 0.499 594 P HA -0.005 nan 4.420 nan 0.000 0.274 594 P C 0.525 177.795 177.300 -0.050 0.000 1.370 594 P CA 0.240 63.290 63.100 -0.083 0.000 0.760 594 P CB 0.388 32.038 31.700 -0.085 0.000 1.308 595 K N -1.045 119.337 120.400 -0.030 0.000 2.558 595 K HA 0.121 4.450 4.320 0.014 0.000 0.215 595 K C 0.669 177.273 176.600 0.007 0.000 1.298 595 K CA -0.181 56.099 56.287 -0.011 0.000 1.008 595 K CB 0.926 33.418 32.500 -0.012 0.000 1.073 595 K HN 0.159 nan 8.250 nan 0.000 0.606 596 K N 1.660 122.068 120.400 0.014 0.000 2.382 596 K HA 0.082 4.411 4.320 0.014 0.000 0.275 596 K C -0.274 176.368 176.600 0.070 0.000 1.009 596 K CA -0.432 55.876 56.287 0.035 0.000 0.970 596 K CB 0.471 32.994 32.500 0.038 0.000 0.934 596 K HN -0.226 nan 8.250 nan 0.000 0.479 597 L N 5.481 126.739 121.223 0.058 0.000 2.678 597 L HA 0.064 4.412 4.340 0.014 0.000 0.276 597 L C -0.418 176.513 176.870 0.102 0.000 1.142 597 L CA 0.879 55.758 54.840 0.066 0.000 0.961 597 L CB -1.196 40.879 42.059 0.027 0.000 1.291 597 L HN 0.444 nan 8.230 nan 0.000 0.476 598 F N 3.712 123.647 119.950 -0.025 0.000 2.411 598 F HA 0.420 4.954 4.527 0.013 0.000 0.352 598 F C 0.173 175.957 175.800 -0.026 0.000 1.123 598 F CA -0.835 57.146 58.000 -0.032 0.000 1.044 598 F CB 1.177 40.153 39.000 -0.040 0.000 1.135 598 F HN 0.037 nan 8.300 nan 0.000 0.461 599 V N 9.179 128.820 119.914 -0.456 0.000 2.403 599 V HA 0.126 4.255 4.120 0.014 0.000 0.265 599 V C -1.665 174.256 176.094 -0.288 0.000 1.034 599 V CA -1.355 60.772 62.300 -0.288 0.000 1.036 599 V CB -0.303 31.349 31.823 -0.286 0.000 1.032 599 V HN 0.593 nan 8.190 nan 0.000 0.478 600 P HA 0.102 nan 4.420 nan 0.000 0.266 600 P C -0.439 176.875 177.300 0.023 0.000 1.193 600 P CA 0.176 63.373 63.100 0.162 0.000 0.770 600 P CB 0.790 32.571 31.700 0.134 0.000 0.836 601 R N 0.626 121.186 120.500 0.100 0.000 2.668 601 R HA 0.446 4.794 4.340 0.014 0.000 0.272 601 R C -0.700 175.620 176.300 0.033 0.000 1.019 601 R CA -0.660 55.447 56.100 0.012 0.000 0.894 601 R CB 1.991 32.273 30.300 -0.031 0.000 1.228 601 R HN 0.311 nan 8.270 nan 0.000 0.460 602 T N 2.054 116.610 114.554 0.004 0.000 3.149 602 T HA 0.188 4.546 4.350 0.014 0.000 0.373 602 T C -0.156 174.430 174.700 -0.190 0.000 1.364 602 T CA -0.402 61.621 62.100 -0.129 0.000 1.110 602 T CB 0.603 69.260 68.868 -0.352 0.000 1.127 602 T HN 0.150 nan 8.240 nan 0.000 0.576 603 V N 5.495 125.332 119.914 -0.129 0.000 2.439 603 V HA 0.302 4.430 4.120 0.014 0.000 0.271 603 V C 0.294 176.284 176.094 -0.173 0.000 1.040 603 V CA -0.202 62.024 62.300 -0.124 0.000 1.002 603 V CB 0.122 31.900 31.823 -0.075 0.000 1.000 603 V HN 0.730 nan 8.190 nan 0.000 0.477 604 I N 6.825 127.282 120.570 -0.188 0.000 2.382 604 I HA 0.502 4.680 4.170 0.014 0.000 0.286 604 I C -0.375 175.610 176.117 -0.220 0.000 1.002 604 I CA -0.188 60.987 61.300 -0.208 0.000 1.135 604 I CB 1.443 39.337 38.000 -0.176 0.000 1.288 604 I HN 0.422 nan 8.210 nan 0.000 0.448 605 I N 5.149 125.554 120.570 -0.275 0.000 2.465 605 I HA 0.749 4.927 4.170 0.014 0.000 0.291 605 I C 0.211 175.949 176.117 -0.632 0.000 1.014 605 I CA -0.422 60.673 61.300 -0.342 0.000 1.093 605 I CB 2.162 40.028 38.000 -0.222 0.000 1.267 605 I HN 0.667 nan 8.210 nan 0.000 0.431 606 G N 2.967 111.384 108.800 -0.639 0.000 2.720 606 G HA2 0.784 4.753 3.960 0.014 0.000 0.295 606 G HA3 0.784 4.753 3.960 0.014 0.000 0.295 606 G C -1.103 173.470 174.900 -0.545 0.000 1.437 606 G CA -0.603 44.013 45.100 -0.806 0.000 0.886 606 G HN 0.984 nan 8.290 nan 0.000 0.509 607 G N -0.318 108.312 108.800 -0.283 0.000 2.352 607 G HA2 0.434 4.403 3.960 0.014 0.000 0.305 607 G HA3 0.434 4.403 3.960 0.014 0.000 0.305 607 G C -1.229 173.775 174.900 0.174 0.000 1.537 607 G CA -1.016 44.091 45.100 0.011 0.000 0.959 607 G HN 0.610 nan 8.290 nan 0.000 0.668 608 K N -0.269 120.231 120.400 0.168 0.000 2.087 608 K HA 0.764 5.092 4.320 0.014 0.000 0.255 608 K C 0.205 176.907 176.600 0.170 0.000 0.988 608 K CA -0.168 56.232 56.287 0.189 0.000 0.915 608 K CB 1.953 34.456 32.500 0.005 0.000 1.043 608 K HN 0.870 nan 8.250 nan 0.000 0.457 609 A N 1.039 124.019 122.820 0.266 0.000 2.337 609 A HA 0.639 4.967 4.320 0.014 0.000 0.329 609 A C -0.693 177.072 177.584 0.302 0.000 1.146 609 A CA -0.784 51.349 52.037 0.161 0.000 0.800 609 A CB 1.218 20.256 19.000 0.064 0.000 1.220 609 A HN 0.739 nan 8.150 nan 0.000 0.472 610 A N 3.860 126.831 122.820 0.251 0.000 2.492 610 A HA 0.514 4.843 4.320 0.014 0.000 0.254 610 A C -1.337 176.330 177.584 0.138 0.000 1.091 610 A CA -1.017 51.173 52.037 0.256 0.000 0.768 610 A CB -0.382 18.751 19.000 0.223 0.000 1.028 610 A HN 0.600 nan 8.150 nan 0.000 0.498 611 P HA -0.243 nan 4.420 nan 0.000 0.222 611 P C 1.417 178.707 177.300 -0.018 0.000 1.157 611 P CA 2.326 65.355 63.100 -0.120 0.000 0.905 611 P CB 0.181 31.738 31.700 -0.238 0.000 0.792 612 G N -3.665 105.143 108.800 0.013 0.000 3.088 612 G HA2 -0.110 3.859 3.960 0.014 0.000 0.212 612 G HA3 -0.110 3.859 3.960 0.014 0.000 0.212 612 G C -0.228 174.714 174.900 0.069 0.000 1.173 612 G CA -0.046 45.066 45.100 0.021 0.000 0.779 612 G HN 0.186 nan 8.290 nan 0.000 0.540 613 Y N 1.444 121.717 120.300 -0.044 0.000 2.535 613 Y HA 0.324 4.882 4.550 0.014 0.000 0.349 613 Y C 1.233 177.164 175.900 0.052 0.000 0.992 613 Y CA -1.999 56.076 58.100 -0.042 0.000 1.248 613 Y CB 0.395 38.814 38.460 -0.068 0.000 1.124 613 Y HN 0.313 nan 8.280 nan 0.000 0.520 614 H N 4.006 123.252 119.070 0.294 0.000 2.333 614 H HA -0.138 4.426 4.556 0.014 0.000 0.302 614 H C 1.906 177.311 175.328 0.128 0.000 1.075 614 H CA 2.545 58.696 56.048 0.173 0.000 1.348 614 H CB 0.258 30.106 29.762 0.143 0.000 1.393 614 H HN 0.632 nan 8.280 nan 0.000 0.509 615 M N 0.417 120.041 119.600 0.042 0.000 2.159 615 M HA -0.000 4.488 4.480 0.014 0.000 0.263 615 M C 2.313 178.404 176.300 -0.349 0.000 1.063 615 M CA 1.738 56.953 55.300 -0.141 0.000 1.110 615 M CB -0.799 31.853 32.600 0.087 0.000 1.374 615 M HN 0.381 nan 8.290 nan 0.000 0.411 616 A N -0.248 122.141 122.820 -0.718 0.000 1.902 616 A HA -0.195 4.134 4.320 0.014 0.000 0.217 616 A C 2.202 179.602 177.584 -0.306 0.000 1.181 616 A CA 1.898 53.518 52.037 -0.695 0.000 0.623 616 A CB -0.618 17.740 19.000 -1.070 0.000 0.818 616 A HN 0.585 nan 8.150 nan 0.000 0.443 617 K N -1.101 119.191 120.400 -0.181 0.000 2.103 617 K HA -0.041 4.288 4.320 0.014 0.000 0.204 617 K C 2.028 178.595 176.600 -0.056 0.000 1.052 617 K CA 1.250 57.522 56.287 -0.024 0.000 0.945 617 K CB -0.240 32.349 32.500 0.148 0.000 0.722 617 K HN 0.348 nan 8.250 nan 0.000 0.443 618 M N 0.742 120.271 119.600 -0.119 0.000 2.117 618 M HA -0.120 4.368 4.480 0.014 0.000 0.262 618 M C 2.216 178.440 176.300 -0.127 0.000 1.065 618 M CA 1.508 56.739 55.300 -0.116 0.000 1.114 618 M CB -0.741 31.779 32.600 -0.132 0.000 1.361 618 M HN 0.141 nan 8.290 nan 0.000 0.408 619 I N -0.134 120.338 120.570 -0.164 0.000 2.286 619 I HA -0.306 3.872 4.170 0.014 0.000 0.248 619 I C 2.320 178.318 176.117 -0.198 0.000 1.115 619 I CA 1.092 62.286 61.300 -0.176 0.000 1.392 619 I CB -0.272 37.623 38.000 -0.176 0.000 1.065 619 I HN 0.205 nan 8.210 nan 0.000 0.418 620 I N 0.581 121.016 120.570 -0.223 0.000 2.252 620 I HA -0.286 3.892 4.170 0.014 0.000 0.245 620 I C 2.588 178.439 176.117 -0.445 0.000 1.102 620 I CA 1.136 62.220 61.300 -0.361 0.000 1.385 620 I CB -0.314 37.424 38.000 -0.436 0.000 1.064 620 I HN 0.150 nan 8.210 nan 0.000 0.414 621 K N 1.703 121.848 120.400 -0.425 0.000 2.057 621 K HA -0.159 4.169 4.320 0.014 0.000 0.207 621 K C 2.031 178.476 176.600 -0.259 0.000 1.049 621 K CA 1.466 57.450 56.287 -0.505 0.000 0.931 621 K CB -0.597 31.326 32.500 -0.961 0.000 0.714 621 K HN 0.240 nan 8.250 nan 0.000 0.440 622 L N 0.390 121.464 121.223 -0.249 0.000 1.955 622 L HA -0.198 4.151 4.340 0.014 0.000 0.213 622 L C 2.225 178.835 176.870 -0.433 0.000 1.072 622 L CA 1.922 56.409 54.840 -0.589 0.000 0.755 622 L CB -0.369 41.284 42.059 -0.675 0.000 0.888 622 L HN 0.259 nan 8.230 nan 0.000 0.432 623 I N 0.042 120.426 120.570 -0.310 0.000 2.185 623 I HA -0.370 3.808 4.170 0.014 0.000 0.246 623 I C 2.494 178.502 176.117 -0.182 0.000 1.088 623 I CA 2.074 63.251 61.300 -0.205 0.000 1.347 623 I CB -0.717 37.272 38.000 -0.019 0.000 1.041 623 I HN 0.523 nan 8.210 nan 0.000 0.415 624 T N -3.321 111.110 114.554 -0.205 0.000 3.055 624 T HA 0.010 4.368 4.350 0.014 0.000 0.265 624 T C 1.823 176.439 174.700 -0.139 0.000 1.111 624 T CA 1.048 63.054 62.100 -0.157 0.000 1.118 624 T CB -0.054 68.691 68.868 -0.204 0.000 0.909 624 T HN 0.189 nan 8.240 nan 0.000 0.501 625 S N 0.986 116.589 115.700 -0.162 0.000 2.377 625 S HA 0.048 4.526 4.470 0.014 0.000 0.223 625 S C 2.182 176.712 174.600 -0.117 0.000 1.030 625 S CA 0.757 58.913 58.200 -0.073 0.000 0.970 625 S CB -0.380 62.849 63.200 0.049 0.000 0.830 625 S HN 0.380 nan 8.310 nan 0.000 0.473 626 V N 2.451 122.145 119.914 -0.366 0.000 2.261 626 V HA -0.205 3.923 4.120 0.014 0.000 0.246 626 V C 2.728 178.668 176.094 -0.256 0.000 1.047 626 V CA 1.744 63.714 62.300 -0.551 0.000 1.015 626 V CB -1.346 30.028 31.823 -0.749 0.000 0.642 626 V HN 0.518 nan 8.190 nan 0.000 0.446 627 A N 0.152 122.854 122.820 -0.198 0.000 1.884 627 A HA -0.351 3.977 4.320 0.014 0.000 0.219 627 A C 1.991 179.524 177.584 -0.084 0.000 1.197 627 A CA 2.464 54.427 52.037 -0.123 0.000 0.637 627 A CB -0.948 17.998 19.000 -0.090 0.000 0.827 627 A HN 0.547 nan 8.150 nan 0.000 0.450 628 D N -0.740 119.622 120.400 -0.064 0.000 2.190 628 D HA -0.098 4.550 4.640 0.014 0.000 0.200 628 D C 1.889 178.168 176.300 -0.035 0.000 0.992 628 D CA 1.371 55.350 54.000 -0.036 0.000 0.854 628 D CB -0.252 40.533 40.800 -0.025 0.000 0.936 628 D HN 0.243 nan 8.370 nan 0.000 0.462 629 V N -0.067 119.824 119.914 -0.039 0.000 2.788 629 V HA -0.100 4.029 4.120 0.014 0.000 0.251 629 V C 2.334 178.367 176.094 -0.101 0.000 1.068 629 V CA 0.646 62.914 62.300 -0.054 0.000 1.090 629 V CB 0.286 32.139 31.823 0.051 0.000 0.710 629 V HN 0.054 nan 8.190 nan 0.000 0.467 630 V N 0.326 120.160 119.914 -0.133 0.000 2.500 630 V HA -0.065 4.064 4.120 0.014 0.000 0.243 630 V C 2.105 178.217 176.094 0.031 0.000 1.039 630 V CA 1.403 63.671 62.300 -0.053 0.000 1.053 630 V CB -0.632 31.146 31.823 -0.076 0.000 0.695 630 V HN 0.539 nan 8.190 nan 0.000 0.463 631 N N 1.089 119.785 118.700 -0.007 0.000 2.396 631 N HA -0.065 4.683 4.740 0.014 0.000 0.180 631 N C 1.180 176.699 175.510 0.015 0.000 1.028 631 N CA 0.866 53.917 53.050 0.002 0.000 0.893 631 N CB -0.262 38.217 38.487 -0.013 0.000 0.967 631 N HN 0.487 nan 8.380 nan 0.000 0.440 632 N N 0.702 119.412 118.700 0.017 0.000 2.230 632 N HA -0.031 4.717 4.740 0.014 0.000 0.202 632 N C -0.453 175.079 175.510 0.036 0.000 1.119 632 N CA 0.062 53.123 53.050 0.018 0.000 0.851 632 N CB 0.575 39.064 38.487 0.004 0.000 0.990 632 N HN 0.153 nan 8.380 nan 0.000 0.497 633 D N 2.315 122.758 120.400 0.071 0.000 2.339 633 D HA 0.109 4.758 4.640 0.014 0.000 0.241 633 D C -1.303 175.032 176.300 0.058 0.000 1.183 633 D CA -1.848 52.212 54.000 0.100 0.000 0.859 633 D CB 1.927 42.863 40.800 0.228 0.000 1.067 633 D HN 0.055 nan 8.370 nan 0.000 0.484 634 P HA -0.163 nan 4.420 nan 0.000 0.220 634 P C 1.434 178.735 177.300 0.002 0.000 1.148 634 P CA 0.498 63.606 63.100 0.014 0.000 0.803 634 P CB 0.331 32.037 31.700 0.009 0.000 0.782 635 M N -0.620 118.979 119.600 -0.002 0.000 2.374 635 M HA -0.056 4.432 4.480 0.014 0.000 0.264 635 M C 1.744 178.010 176.300 -0.058 0.000 1.067 635 M CA 1.242 56.522 55.300 -0.033 0.000 1.103 635 M CB -0.872 31.700 32.600 -0.048 0.000 1.402 635 M HN -0.248 nan 8.290 nan 0.000 0.444 636 V N -1.464 118.428 119.914 -0.036 0.000 2.795 636 V HA 0.272 4.401 4.120 0.014 0.000 0.243 636 V C 1.847 177.915 176.094 -0.043 0.000 1.069 636 V CA 0.748 63.008 62.300 -0.065 0.000 1.089 636 V CB -1.169 30.654 31.823 -0.000 0.000 0.756 636 V HN 0.590 nan 8.190 nan 0.000 0.471 637 G N 1.661 110.456 108.800 -0.009 0.000 2.684 637 G HA2 -0.446 3.522 3.960 0.014 0.000 0.332 637 G HA3 -0.446 3.522 3.960 0.014 0.000 0.332 637 G C 1.199 176.101 174.900 0.004 0.000 1.306 637 G CA 1.437 46.537 45.100 -0.001 0.000 1.002 637 G HN 1.014 nan 8.290 nan 0.000 0.545 638 S N 0.241 115.948 115.700 0.012 0.000 2.660 638 S HA 0.146 4.624 4.470 0.014 0.000 0.228 638 S C 1.772 176.397 174.600 0.043 0.000 0.966 638 S CA 1.510 59.727 58.200 0.029 0.000 0.940 638 S CB 0.151 63.372 63.200 0.035 0.000 0.773 638 S HN 0.684 nan 8.310 nan 0.000 0.535 639 K N -0.160 120.250 120.400 0.016 0.000 2.031 639 K HA 0.195 4.523 4.320 0.014 0.000 0.205 639 K C 0.014 176.659 176.600 0.076 0.000 1.049 639 K CA 0.710 57.018 56.287 0.035 0.000 0.939 639 K CB -0.058 32.355 32.500 -0.144 0.000 0.717 639 K HN 0.370 nan 8.250 nan 0.000 0.438 640 L N 1.084 122.306 121.223 -0.002 0.000 2.476 640 L HA 0.311 4.659 4.340 0.014 0.000 0.269 640 L C -1.794 175.082 176.870 0.010 0.000 0.965 640 L CA -0.461 54.398 54.840 0.031 0.000 0.845 640 L CB 1.685 43.736 42.059 -0.013 0.000 1.259 640 L HN -0.225 nan 8.230 nan 0.000 0.403 641 K N 4.115 124.513 120.400 -0.004 0.000 2.316 641 K HA 0.764 5.093 4.320 0.014 0.000 0.251 641 K C -1.398 175.156 176.600 -0.077 0.000 0.934 641 K CA -0.672 55.591 56.287 -0.039 0.000 0.802 641 K CB 2.684 35.156 32.500 -0.047 0.000 1.171 641 K HN 0.384 nan 8.250 nan 0.000 0.426 642 V N 3.873 123.731 119.914 -0.093 0.000 2.604 642 V HA 0.580 4.709 4.120 0.014 0.000 0.305 642 V C -0.280 175.725 176.094 -0.148 0.000 1.043 642 V CA -0.853 61.376 62.300 -0.118 0.000 0.888 642 V CB 1.887 33.645 31.823 -0.109 0.000 0.995 642 V HN 0.609 nan 8.190 nan 0.000 0.429 643 I N 4.009 124.463 120.570 -0.193 0.000 2.571 643 I HA 0.369 4.547 4.170 0.014 0.000 0.289 643 I C -1.318 174.660 176.117 -0.232 0.000 1.115 643 I CA -0.378 60.750 61.300 -0.287 0.000 1.045 643 I CB 2.358 40.082 38.000 -0.459 0.000 1.238 643 I HN 0.556 nan 8.210 nan 0.000 0.424 644 F N 7.488 127.286 119.950 -0.253 0.000 2.375 644 F HA 0.388 4.923 4.527 0.013 0.000 0.362 644 F C -0.193 175.542 175.800 -0.109 0.000 1.129 644 F CA -0.654 57.261 58.000 -0.141 0.000 1.154 644 F CB 0.750 39.708 39.000 -0.071 0.000 1.205 644 F HN 0.313 nan 8.300 nan 0.000 0.513 645 L N 6.927 127.894 121.223 -0.426 0.000 2.456 645 L HA 0.147 4.495 4.340 0.014 0.000 0.277 645 L C -0.015 176.896 176.870 0.067 0.000 1.124 645 L CA 0.333 55.122 54.840 -0.085 0.000 0.880 645 L CB -0.136 41.897 42.059 -0.043 0.000 1.192 645 L HN 0.558 nan 8.230 nan 0.000 0.463 646 E N 4.100 124.543 120.200 0.406 0.000 2.373 646 E HA 0.021 4.379 4.350 0.014 0.000 0.267 646 E C 0.498 177.293 176.600 0.324 0.000 1.032 646 E CA -0.182 56.467 56.400 0.415 0.000 0.889 646 E CB 0.270 30.208 29.700 0.397 0.000 0.984 646 E HN 0.610 nan 8.360 nan 0.000 0.425 647 N N 1.887 120.763 118.700 0.293 0.000 2.714 647 N HA -0.258 4.490 4.740 0.014 0.000 0.253 647 N C -1.309 174.315 175.510 0.189 0.000 1.024 647 N CA 0.351 53.526 53.050 0.209 0.000 0.726 647 N CB -1.435 37.160 38.487 0.180 0.000 0.908 647 N HN 0.478 nan 8.380 nan 0.000 0.542 648 Y N 1.459 121.800 120.300 0.069 0.000 2.717 648 Y HA 0.178 4.735 4.550 0.012 0.000 0.330 648 Y C 1.149 177.058 175.900 0.015 0.000 1.217 648 Y CA 0.705 58.820 58.100 0.026 0.000 1.506 648 Y CB 0.328 38.775 38.460 -0.021 0.000 1.268 648 Y HN 0.420 nan 8.280 nan 0.000 0.561 649 R N 2.389 122.528 120.500 -0.601 0.000 2.762 649 R HA 0.493 4.841 4.340 0.014 0.000 0.271 649 R C -0.408 175.508 176.300 -0.639 0.000 1.038 649 R CA -0.565 55.217 56.100 -0.530 0.000 0.906 649 R CB 0.297 30.467 30.300 -0.217 0.000 1.259 649 R HN 0.345 nan 8.270 nan 0.000 0.457 650 V N 0.992 120.562 119.914 -0.573 0.000 2.233 650 V HA -0.293 3.836 4.120 0.014 0.000 0.247 650 V C 2.537 178.491 176.094 -0.233 0.000 1.050 650 V CA 2.804 64.867 62.300 -0.395 0.000 1.010 650 V CB -0.900 30.667 31.823 -0.427 0.000 0.637 650 V HN 0.931 nan 8.190 nan 0.000 0.444 651 S N 0.209 115.777 115.700 -0.220 0.000 2.419 651 S HA -0.165 4.313 4.470 0.014 0.000 0.233 651 S C 1.891 176.408 174.600 -0.138 0.000 1.016 651 S CA 1.669 59.769 58.200 -0.167 0.000 0.974 651 S CB -0.532 62.596 63.200 -0.120 0.000 0.786 651 S HN 0.400 nan 8.310 nan 0.000 0.492 652 L N 1.675 122.811 121.223 -0.145 0.000 2.240 652 L HA 0.399 4.747 4.340 0.014 0.000 0.211 652 L C 2.538 179.365 176.870 -0.072 0.000 1.106 652 L CA 1.219 55.996 54.840 -0.106 0.000 0.793 652 L CB -1.070 40.974 42.059 -0.025 0.000 0.927 652 L HN 0.337 nan 8.230 nan 0.000 0.446 653 A N -0.758 121.994 122.820 -0.113 0.000 2.015 653 A HA -0.170 4.159 4.320 0.014 0.000 0.219 653 A C 2.065 179.691 177.584 0.070 0.000 1.163 653 A CA 1.496 53.547 52.037 0.022 0.000 0.646 653 A CB -0.497 18.467 19.000 -0.061 0.000 0.806 653 A HN 0.600 nan 8.150 nan 0.000 0.448 654 E N -0.273 119.965 120.200 0.063 0.000 2.347 654 E HA -0.118 4.241 4.350 0.014 0.000 0.196 654 E C 1.703 178.261 176.600 -0.070 0.000 1.008 654 E CA 0.955 57.368 56.400 0.022 0.000 0.852 654 E CB -0.001 29.613 29.700 -0.144 0.000 0.783 654 E HN 0.625 nan 8.360 nan 0.000 0.505 655 K N 0.178 120.499 120.400 -0.131 0.000 2.172 655 K HA 0.034 4.362 4.320 0.014 0.000 0.203 655 K C 2.201 178.524 176.600 -0.462 0.000 1.040 655 K CA 0.430 56.605 56.287 -0.187 0.000 0.974 655 K CB -0.104 32.293 32.500 -0.171 0.000 0.857 655 K HN -0.060 nan 8.250 nan 0.000 0.464 656 V N 2.199 121.732 119.914 -0.635 0.000 2.358 656 V HA -0.181 3.948 4.120 0.014 0.000 0.246 656 V C 1.964 177.794 176.094 -0.441 0.000 1.047 656 V CA 1.392 63.068 62.300 -1.039 0.000 1.035 656 V CB -0.224 31.266 31.823 -0.555 0.000 0.658 656 V HN 0.250 nan 8.190 nan 0.000 0.452 657 I N 0.631 121.045 120.570 -0.261 0.000 2.091 657 I HA -0.167 4.011 4.170 0.014 0.000 0.239 657 I C -0.216 175.848 176.117 -0.087 0.000 1.061 657 I CA 2.024 63.169 61.300 -0.259 0.000 1.317 657 I CB -1.606 36.073 38.000 -0.535 0.000 1.031 657 I HN 0.361 nan 8.210 nan 0.000 0.401 658 P HA -0.116 nan 4.420 nan 0.000 0.228 658 P C 0.610 177.911 177.300 0.002 0.000 1.151 658 P CA 1.146 64.233 63.100 -0.022 0.000 0.770 658 P CB 0.016 31.702 31.700 -0.025 0.000 0.786 659 A N -1.198 121.600 122.820 -0.036 0.000 2.423 659 A HA 0.209 4.537 4.320 0.014 0.000 0.246 659 A C 0.923 178.611 177.584 0.174 0.000 1.278 659 A CA 0.254 52.314 52.037 0.038 0.000 0.903 659 A CB -0.751 18.256 19.000 0.012 0.000 0.997 659 A HN 0.235 nan 8.150 nan 0.000 0.510 660 T N -3.314 111.360 114.554 0.200 0.000 2.925 660 T HA 0.431 4.790 4.350 0.014 0.000 0.285 660 T C -0.083 174.761 174.700 0.241 0.000 1.021 660 T CA -0.398 61.866 62.100 0.274 0.000 1.042 660 T CB 1.532 70.567 68.868 0.279 0.000 1.037 660 T HN 0.096 nan 8.240 nan 0.000 0.481 661 D N 0.960 121.507 120.400 0.244 0.000 2.338 661 D HA 0.145 4.794 4.640 0.014 0.000 0.224 661 D C 0.197 176.753 176.300 0.427 0.000 0.967 661 D CA 0.366 54.595 54.000 0.382 0.000 0.896 661 D CB 0.381 41.331 40.800 0.250 0.000 1.028 661 D HN 0.358 nan 8.370 nan 0.000 0.493 662 L N 0.662 121.997 121.223 0.188 0.000 2.356 662 L HA 0.358 4.707 4.340 0.014 0.000 0.277 662 L C -0.719 176.041 176.870 -0.182 0.000 0.996 662 L CA -0.482 54.394 54.840 0.060 0.000 0.822 662 L CB 2.106 44.183 42.059 0.029 0.000 1.256 662 L HN -0.273 nan 8.230 nan 0.000 0.413 663 S N 3.907 119.428 115.700 -0.298 0.000 2.442 663 S HA 0.475 4.954 4.470 0.014 0.000 0.297 663 S C -0.597 173.786 174.600 -0.363 0.000 1.131 663 S CA -0.671 57.143 58.200 -0.643 0.000 1.092 663 S CB 0.521 63.221 63.200 -0.833 0.000 0.998 663 S HN 0.634 nan 8.310 nan 0.000 0.478 664 E N 3.786 123.777 120.200 -0.349 0.000 2.152 664 E HA 0.226 4.585 4.350 0.014 0.000 0.285 664 E C -0.485 176.028 176.600 -0.146 0.000 1.043 664 E CA -0.310 55.989 56.400 -0.170 0.000 0.839 664 E CB 1.034 30.650 29.700 -0.140 0.000 1.069 664 E HN 0.590 nan 8.360 nan 0.000 0.399 665 Q N 2.662 122.423 119.800 -0.065 0.000 3.048 665 Q HA 0.235 4.583 4.340 0.014 0.000 0.337 665 Q C 0.625 176.612 176.000 -0.022 0.000 0.845 665 Q CA -0.088 55.682 55.803 -0.054 0.000 0.942 665 Q CB 0.127 28.836 28.738 -0.048 0.000 1.454 665 Q HN 0.609 nan 8.270 nan 0.000 0.392 666 I N -1.696 118.852 120.570 -0.037 0.000 3.850 666 I HA 0.244 4.422 4.170 0.014 0.000 0.333 666 I C 0.489 176.550 176.117 -0.094 0.000 1.511 666 I CA -0.552 60.732 61.300 -0.026 0.000 1.199 666 I CB 0.046 38.023 38.000 -0.039 0.000 1.217 666 I HN -0.048 nan 8.210 nan 0.000 0.423 667 S N 0.491 116.139 115.700 -0.086 0.000 2.576 667 S HA 0.179 4.658 4.470 0.014 0.000 0.272 667 S C 0.583 175.154 174.600 -0.048 0.000 1.352 667 S CA -0.388 57.780 58.200 -0.054 0.000 1.021 667 S CB 0.326 63.553 63.200 0.044 0.000 0.887 667 S HN 0.414 nan 8.310 nan 0.000 0.542 668 T N 2.149 116.706 114.554 0.005 0.000 2.930 668 T HA 0.408 4.766 4.350 0.014 0.000 0.306 668 T C 0.652 175.349 174.700 -0.006 0.000 1.045 668 T CA 0.121 62.227 62.100 0.011 0.000 1.134 668 T CB 0.167 69.114 68.868 0.132 0.000 0.961 668 T HN 0.995 nan 8.240 nan 0.000 0.545 669 A N 2.294 125.082 122.820 -0.053 0.000 2.553 669 A HA 0.466 4.795 4.320 0.014 0.000 0.258 669 A C 1.607 179.178 177.584 -0.021 0.000 1.069 669 A CA 0.263 52.269 52.037 -0.052 0.000 0.767 669 A CB -1.138 17.819 19.000 -0.071 0.000 0.997 669 A HN 1.651 nan 8.150 nan 0.000 0.512 670 G N 1.701 110.492 108.800 -0.014 0.000 2.184 670 G HA2 -0.246 3.723 3.960 0.014 0.000 0.206 670 G HA3 -0.246 3.723 3.960 0.014 0.000 0.206 670 G C 0.933 175.821 174.900 -0.021 0.000 0.995 670 G CA 0.955 46.051 45.100 -0.007 0.000 0.651 670 G HN 1.771 nan 8.290 nan 0.000 0.511 671 T N -2.138 112.396 114.554 -0.033 0.000 3.010 671 T HA 0.305 4.663 4.350 0.014 0.000 0.252 671 T C 0.699 175.224 174.700 -0.291 0.000 1.047 671 T CA 0.874 62.870 62.100 -0.173 0.000 1.140 671 T CB 0.327 69.135 68.868 -0.100 0.000 0.885 671 T HN 0.182 nan 8.240 nan 0.000 0.464 672 E N 1.641 121.814 120.200 -0.046 0.000 2.129 672 E HA 0.513 4.871 4.350 0.014 0.000 0.283 672 E C 1.071 177.631 176.600 -0.066 0.000 1.080 672 E CA -0.024 56.386 56.400 0.018 0.000 0.867 672 E CB 1.364 31.123 29.700 0.099 0.000 1.056 672 E HN 0.462 nan 8.360 nan 0.000 0.404 673 A N 3.024 125.744 122.820 -0.167 0.000 1.978 673 A HA -0.180 4.148 4.320 0.014 0.000 0.220 673 A C 1.838 179.299 177.584 -0.205 0.000 1.170 673 A CA 2.264 54.076 52.037 -0.375 0.000 0.636 673 A CB 0.189 18.721 19.000 -0.779 0.000 0.810 673 A HN 0.574 nan 8.150 nan 0.000 0.448 674 S N -4.287 111.354 115.700 -0.099 0.000 4.997 674 S HA 0.428 4.906 4.470 0.014 0.000 0.169 674 S C 0.570 175.156 174.600 -0.023 0.000 1.122 674 S CA 1.301 59.481 58.200 -0.033 0.000 1.305 674 S CB -0.318 62.877 63.200 -0.009 0.000 1.806 674 S HN 2.283 nan 8.310 nan 0.000 0.547 675 G N 0.447 109.237 108.800 -0.017 0.000 2.721 675 G HA2 -0.001 3.967 3.960 0.014 0.000 0.686 675 G HA3 -0.001 3.967 3.960 0.014 0.000 0.686 675 G C 0.242 175.110 174.900 -0.053 0.000 1.236 675 G CA 0.445 45.531 45.100 -0.023 0.000 0.786 675 G HN 1.431 nan 8.290 nan 0.000 0.616 676 T N -1.761 112.747 114.554 -0.076 0.000 2.966 676 T HA 0.382 4.740 4.350 0.014 0.000 0.254 676 T C 2.352 176.929 174.700 -0.205 0.000 0.961 676 T CA 1.245 63.267 62.100 -0.129 0.000 0.915 676 T CB 0.416 69.206 68.868 -0.130 0.000 1.186 676 T HN 1.855 nan 8.240 nan 0.000 0.505 677 G N 2.978 111.684 108.800 -0.156 0.000 2.422 677 G HA2 -0.227 3.741 3.960 0.014 0.000 0.218 677 G HA3 -0.227 3.741 3.960 0.014 0.000 0.218 677 G C 1.467 176.360 174.900 -0.011 0.000 1.146 677 G CA 1.056 46.059 45.100 -0.161 0.000 0.769 677 G HN 0.826 nan 8.290 nan 0.000 0.547 678 N N -0.003 118.697 118.700 0.001 0.000 2.223 678 N HA -0.095 4.653 4.740 0.014 0.000 0.185 678 N C 2.182 177.646 175.510 -0.077 0.000 1.016 678 N CA 1.059 54.119 53.050 0.015 0.000 0.863 678 N CB -0.321 38.118 38.487 -0.079 0.000 0.983 678 N HN 0.330 nan 8.380 nan 0.000 0.429 679 M N 0.706 120.190 119.600 -0.193 0.000 2.200 679 M HA -0.001 4.487 4.480 0.014 0.000 0.265 679 M C 1.976 178.179 176.300 -0.162 0.000 1.066 679 M CA 1.316 56.473 55.300 -0.239 0.000 1.127 679 M CB -0.045 32.425 32.600 -0.218 0.000 1.379 679 M HN 0.095 nan 8.290 nan 0.000 0.420 680 K N 0.210 120.445 120.400 -0.275 0.000 2.026 680 K HA -0.103 4.225 4.320 0.014 0.000 0.208 680 K C 1.701 178.141 176.600 -0.268 0.000 1.048 680 K CA 1.462 57.510 56.287 -0.398 0.000 0.929 680 K CB -0.255 31.761 32.500 -0.806 0.000 0.713 680 K HN 0.182 nan 8.250 nan 0.000 0.439 681 F N 1.061 120.927 119.950 -0.140 0.000 2.134 681 F HA -0.161 4.373 4.527 0.013 0.000 0.299 681 F C 2.636 178.405 175.800 -0.052 0.000 1.097 681 F CA 1.089 59.040 58.000 -0.081 0.000 1.264 681 F CB -0.290 38.663 39.000 -0.078 0.000 1.001 681 F HN 0.008 nan 8.300 nan 0.000 0.479 682 M N -0.011 119.660 119.600 0.119 0.000 2.108 682 M HA -0.244 4.245 4.480 0.014 0.000 0.261 682 M C 2.137 178.472 176.300 0.059 0.000 1.066 682 M CA 1.759 57.094 55.300 0.058 0.000 1.107 682 M CB -0.345 32.255 32.600 -0.001 0.000 1.356 682 M HN 0.297 nan 8.290 nan 0.000 0.406 683 L N 0.067 121.321 121.223 0.051 0.000 2.291 683 L HA -0.136 4.213 4.340 0.014 0.000 0.214 683 L C 1.312 178.213 176.870 0.051 0.000 1.120 683 L CA 0.916 55.794 54.840 0.062 0.000 0.799 683 L CB -0.376 41.731 42.059 0.080 0.000 0.925 683 L HN 0.437 nan 8.230 nan 0.000 0.446 684 N N -0.105 118.624 118.700 0.048 0.000 2.270 684 N HA 0.053 4.802 4.740 0.014 0.000 0.198 684 N C 0.879 176.428 175.510 0.066 0.000 1.117 684 N CA 0.872 53.950 53.050 0.048 0.000 0.845 684 N CB 0.825 39.328 38.487 0.026 0.000 0.980 684 N HN 0.410 nan 8.380 nan 0.000 0.486 685 G N 0.382 109.226 108.800 0.073 0.000 2.141 685 G HA2 -0.145 3.823 3.960 0.014 0.000 0.195 685 G HA3 -0.145 3.823 3.960 0.014 0.000 0.195 685 G C -0.126 174.853 174.900 0.131 0.000 1.012 685 G CA 0.052 45.200 45.100 0.079 0.000 0.696 685 G HN 0.502 nan 8.290 nan 0.000 0.508 686 A N -0.369 122.536 122.820 0.141 0.000 2.337 686 A HA 0.916 5.245 4.320 0.014 0.000 0.331 686 A C 0.246 177.856 177.584 0.043 0.000 1.137 686 A CA -0.679 51.453 52.037 0.159 0.000 0.807 686 A CB 1.240 20.364 19.000 0.208 0.000 1.250 686 A HN 0.690 nan 8.150 nan 0.000 0.468 687 L N 0.545 121.757 121.223 -0.018 0.000 2.416 687 L HA 0.505 4.853 4.340 0.014 0.000 0.262 687 L C 0.125 176.990 176.870 -0.009 0.000 1.093 687 L CA -0.395 54.384 54.840 -0.102 0.000 0.801 687 L CB 1.704 43.582 42.059 -0.302 0.000 1.191 687 L HN 0.712 nan 8.230 nan 0.000 0.459 688 T N 2.392 116.973 114.554 0.045 0.000 2.807 688 T HA 0.503 4.861 4.350 0.014 0.000 0.279 688 T C -0.568 174.229 174.700 0.160 0.000 0.993 688 T CA -0.269 61.857 62.100 0.043 0.000 0.970 688 T CB 1.647 70.518 68.868 0.005 0.000 0.950 688 T HN 0.343 nan 8.240 nan 0.000 0.441 689 I N 2.610 123.247 120.570 0.112 0.000 2.406 689 I HA 0.753 4.931 4.170 0.014 0.000 0.290 689 I C 0.038 176.313 176.117 0.264 0.000 0.999 689 I CA 0.119 61.546 61.300 0.212 0.000 1.124 689 I CB 0.694 38.728 38.000 0.056 0.000 1.289 689 I HN 0.822 nan 8.210 nan 0.000 0.441 690 G N 3.822 112.865 108.800 0.406 0.000 2.356 690 G HA2 0.373 4.342 3.960 0.014 0.000 0.294 690 G HA3 0.373 4.342 3.960 0.014 0.000 0.294 690 G C -0.929 173.903 174.900 -0.113 0.000 1.423 690 G CA -0.202 45.038 45.100 0.234 0.000 0.806 690 G HN 0.625 nan 8.290 nan 0.000 0.527 691 T N -1.574 112.776 114.554 -0.340 0.000 2.824 691 T HA 0.543 4.901 4.350 0.014 0.000 0.277 691 T C 0.838 175.416 174.700 -0.204 0.000 0.975 691 T CA -0.659 61.172 62.100 -0.447 0.000 0.966 691 T CB 1.087 69.698 68.868 -0.427 0.000 1.054 691 T HN 0.295 nan 8.240 nan 0.000 0.533 692 M N 2.512 122.010 119.600 -0.170 0.000 3.706 692 M HA 0.304 4.793 4.480 0.014 0.000 0.204 692 M C -0.445 175.813 176.300 -0.070 0.000 1.455 692 M CA -0.078 55.168 55.300 -0.090 0.000 1.659 692 M CB -1.766 30.792 32.600 -0.070 0.000 1.076 692 M HN 0.694 nan 8.290 nan 0.000 0.577 693 D N -0.497 119.863 120.400 -0.067 0.000 2.419 693 D HA 0.676 5.325 4.640 0.014 0.000 0.234 693 D C 0.842 177.130 176.300 -0.020 0.000 1.014 693 D CA 0.693 54.669 54.000 -0.040 0.000 0.919 693 D CB 1.776 42.550 40.800 -0.044 0.000 1.366 693 D HN 0.549 nan 8.370 nan 0.000 0.490 694 G N 1.477 110.276 108.800 -0.000 0.000 2.652 694 G HA2 -0.293 3.676 3.960 0.014 0.000 0.318 694 G HA3 -0.293 3.676 3.960 0.014 0.000 0.318 694 G C 1.039 175.949 174.900 0.015 0.000 1.295 694 G CA 1.327 46.431 45.100 0.007 0.000 0.999 694 G HN 0.990 nan 8.290 nan 0.000 0.548 695 A N -0.369 122.450 122.820 -0.002 0.000 2.168 695 A HA 0.077 4.405 4.320 0.014 0.000 0.215 695 A C 2.134 179.686 177.584 -0.054 0.000 1.152 695 A CA 1.889 53.925 52.037 -0.002 0.000 0.716 695 A CB -0.447 18.519 19.000 -0.057 0.000 0.794 695 A HN 0.612 nan 8.150 nan 0.000 0.465 696 N N 0.549 119.213 118.700 -0.061 0.000 2.094 696 N HA -0.157 4.591 4.740 0.014 0.000 0.191 696 N C 1.652 177.150 175.510 -0.020 0.000 1.023 696 N CA 1.635 54.647 53.050 -0.064 0.000 0.857 696 N CB -0.628 37.827 38.487 -0.054 0.000 1.013 696 N HN 0.285 nan 8.380 nan 0.000 0.426 697 V N 1.551 121.468 119.914 0.004 0.000 2.255 697 V HA -0.232 3.896 4.120 0.014 0.000 0.247 697 V C 1.988 178.125 176.094 0.072 0.000 1.051 697 V CA 1.745 64.061 62.300 0.026 0.000 1.018 697 V CB -0.573 31.265 31.823 0.026 0.000 0.641 697 V HN 0.376 nan 8.190 nan 0.000 0.445 698 E N -0.580 119.696 120.200 0.127 0.000 2.204 698 E HA -0.215 4.143 4.350 0.014 0.000 0.195 698 E C 2.155 178.984 176.600 0.382 0.000 0.990 698 E CA 1.276 57.817 56.400 0.235 0.000 0.821 698 E CB -0.227 29.664 29.700 0.318 0.000 0.750 698 E HN 0.565 nan 8.360 nan 0.000 0.477 699 M N 0.329 120.088 119.600 0.264 0.000 2.132 699 M HA -0.108 4.381 4.480 0.014 0.000 0.263 699 M C 2.482 178.866 176.300 0.141 0.000 1.065 699 M CA 1.368 56.788 55.300 0.200 0.000 1.122 699 M CB -0.122 32.404 32.600 -0.123 0.000 1.365 699 M HN 0.131 nan 8.290 nan 0.000 0.411 700 A N 0.347 123.209 122.820 0.071 0.000 1.933 700 A HA -0.185 4.143 4.320 0.014 0.000 0.218 700 A C 1.911 179.525 177.584 0.049 0.000 1.175 700 A CA 1.715 53.774 52.037 0.036 0.000 0.628 700 A CB -0.700 18.306 19.000 0.011 0.000 0.814 700 A HN 0.537 nan 8.150 nan 0.000 0.444 701 E N -0.289 119.953 120.200 0.071 0.000 2.038 701 E HA -0.209 4.149 4.350 0.014 0.000 0.195 701 E C 1.989 178.622 176.600 0.054 0.000 1.000 701 E CA 1.323 57.756 56.400 0.054 0.000 0.803 701 E CB -0.209 29.525 29.700 0.056 0.000 0.750 701 E HN 0.573 nan 8.360 nan 0.000 0.448 702 E N 0.394 120.650 120.200 0.093 0.000 2.047 702 E HA -0.119 4.239 4.350 0.014 0.000 0.191 702 E C 1.918 178.569 176.600 0.085 0.000 0.987 702 E CA 1.150 57.597 56.400 0.079 0.000 0.799 702 E CB -0.186 29.577 29.700 0.104 0.000 0.752 702 E HN 0.242 nan 8.360 nan 0.000 0.449 703 A N 0.280 123.157 122.820 0.095 0.000 2.081 703 A HA 0.378 4.706 4.320 0.014 0.000 0.214 703 A C 1.027 178.631 177.584 0.034 0.000 1.158 703 A CA 1.029 53.109 52.037 0.071 0.000 0.724 703 A CB 0.159 19.191 19.000 0.054 0.000 0.826 703 A HN 0.256 nan 8.150 nan 0.000 0.463 704 G N -0.522 108.289 108.800 0.018 0.000 3.367 704 G HA2 -0.080 3.888 3.960 0.014 0.000 0.686 704 G HA3 -0.080 3.888 3.960 0.014 0.000 0.686 704 G C 0.059 174.940 174.900 -0.031 0.000 1.146 704 G CA 0.195 45.290 45.100 -0.007 0.000 0.913 704 G HN 0.274 nan 8.290 nan 0.000 0.554 705 E N 0.656 120.838 120.200 -0.030 0.000 2.114 705 E HA -0.250 4.108 4.350 0.014 0.000 0.199 705 E C 2.340 178.886 176.600 -0.088 0.000 1.008 705 E CA 2.005 58.378 56.400 -0.045 0.000 0.810 705 E CB 0.020 29.701 29.700 -0.031 0.000 0.739 705 E HN 0.828 nan 8.360 nan 0.000 0.456 706 E N -0.300 119.846 120.200 -0.091 0.000 2.333 706 E HA -0.181 4.178 4.350 0.014 0.000 0.198 706 E C 1.191 177.661 176.600 -0.215 0.000 1.007 706 E CA 0.835 57.154 56.400 -0.135 0.000 0.845 706 E CB -0.169 29.474 29.700 -0.095 0.000 0.766 706 E HN 0.188 nan 8.360 nan 0.000 0.507 707 N N 0.264 118.857 118.700 -0.177 0.000 2.322 707 N HA 0.144 4.893 4.740 0.014 0.000 0.194 707 N C -0.680 174.670 175.510 -0.267 0.000 1.126 707 N CA 0.295 53.218 53.050 -0.211 0.000 0.845 707 N CB 0.435 38.855 38.487 -0.110 0.000 0.976 707 N HN 0.114 nan 8.380 nan 0.000 0.475 708 L N -0.519 120.534 121.223 -0.284 0.000 2.371 708 L HA 0.414 4.762 4.340 0.014 0.000 0.262 708 L C -0.549 176.141 176.870 -0.300 0.000 1.006 708 L CA -0.535 54.173 54.840 -0.221 0.000 0.818 708 L CB 1.530 43.547 42.059 -0.070 0.000 1.354 708 L HN -0.146 nan 8.230 nan 0.000 0.415 709 F N 3.405 123.348 119.950 -0.011 0.000 2.573 709 F HA 0.314 4.849 4.527 0.014 0.000 0.349 709 F C 0.265 176.147 175.800 0.137 0.000 1.213 709 F CA -0.363 57.659 58.000 0.036 0.000 1.300 709 F CB -0.259 38.746 39.000 0.007 0.000 1.661 709 F HN 0.092 nan 8.300 nan 0.000 0.616 710 I N 2.786 123.471 120.570 0.191 0.000 2.638 710 I HA 0.241 4.419 4.170 0.014 0.000 0.286 710 I C 0.113 176.399 176.117 0.282 0.000 1.088 710 I CA -0.358 61.044 61.300 0.171 0.000 1.397 710 I CB 0.140 38.163 38.000 0.039 0.000 1.414 710 I HN 0.366 nan 8.210 nan 0.000 0.566 711 F N 1.742 121.724 119.950 0.054 0.000 2.831 711 F HA 0.774 5.309 4.527 0.014 0.000 0.318 711 F C 0.124 175.949 175.800 0.042 0.000 1.174 711 F CA -0.369 57.666 58.000 0.058 0.000 0.918 711 F CB 0.807 39.860 39.000 0.088 0.000 1.364 711 F HN 0.813 nan 8.300 nan 0.000 0.475 712 G N 1.001 109.851 108.800 0.084 0.000 2.806 712 G HA2 -0.140 3.829 3.960 0.014 0.000 0.236 712 G HA3 -0.140 3.829 3.960 0.014 0.000 0.236 712 G C -0.571 174.273 174.900 -0.093 0.000 1.387 712 G CA -0.358 44.712 45.100 -0.052 0.000 0.884 712 G HN 0.974 nan 8.290 nan 0.000 0.560 713 M N 0.089 119.650 119.600 -0.066 0.000 2.240 713 M HA 0.348 4.837 4.480 0.014 0.000 0.317 713 M C 1.222 177.471 176.300 -0.086 0.000 1.087 713 M CA 0.636 55.907 55.300 -0.048 0.000 1.176 713 M CB 0.263 32.845 32.600 -0.030 0.000 1.439 713 M HN 0.610 nan 8.290 nan 0.000 0.452 714 R N 0.609 121.077 120.500 -0.053 0.000 2.943 714 R HA 0.544 4.892 4.340 0.014 0.000 0.246 714 R C 1.106 177.382 176.300 -0.039 0.000 1.201 714 R CA -0.973 55.095 56.100 -0.054 0.000 1.056 714 R CB 0.915 31.192 30.300 -0.039 0.000 1.243 714 R HN 0.644 nan 8.270 nan 0.000 0.498 715 I N 1.101 121.651 120.570 -0.034 0.000 2.280 715 I HA -0.468 3.710 4.170 0.014 0.000 0.226 715 I C 1.433 177.537 176.117 -0.022 0.000 0.970 715 I CA 1.746 63.030 61.300 -0.026 0.000 1.279 715 I CB -0.497 37.490 38.000 -0.021 0.000 0.984 715 I HN 0.564 nan 8.210 nan 0.000 0.382 716 D N 0.975 121.366 120.400 -0.016 0.000 2.149 716 D HA -0.202 4.447 4.640 0.014 0.000 0.194 716 D C 1.802 178.100 176.300 -0.004 0.000 1.001 716 D CA 1.655 55.649 54.000 -0.009 0.000 0.849 716 D CB -0.656 40.141 40.800 -0.005 0.000 0.939 716 D HN 0.452 nan 8.370 nan 0.000 0.449 717 D N 0.011 120.410 120.400 -0.003 0.000 2.182 717 D HA -0.096 4.552 4.640 0.014 0.000 0.201 717 D C 2.211 178.513 176.300 0.004 0.000 0.986 717 D CA 0.498 54.503 54.000 0.009 0.000 0.847 717 D CB -0.082 40.725 40.800 0.010 0.000 0.942 717 D HN 0.161 nan 8.370 nan 0.000 0.467 718 V N 1.372 121.276 119.914 -0.018 0.000 2.548 718 V HA -0.130 3.998 4.120 0.014 0.000 0.249 718 V C 2.550 178.628 176.094 -0.027 0.000 1.055 718 V CA 1.419 63.698 62.300 -0.036 0.000 1.065 718 V CB -0.606 31.187 31.823 -0.050 0.000 0.681 718 V HN 0.150 nan 8.190 nan 0.000 0.462 719 A N 0.472 123.281 122.820 -0.018 0.000 1.873 719 A HA -0.081 4.247 4.320 0.014 0.000 0.215 719 A C 2.411 179.996 177.584 0.002 0.000 1.186 719 A CA 1.934 53.963 52.037 -0.013 0.000 0.616 719 A CB -0.846 18.146 19.000 -0.014 0.000 0.823 719 A HN 0.552 nan 8.150 nan 0.000 0.442 720 A N -1.089 121.738 122.820 0.012 0.000 2.070 720 A HA 0.017 4.346 4.320 0.014 0.000 0.220 720 A C 2.010 179.621 177.584 0.046 0.000 1.159 720 A CA 1.661 53.715 52.037 0.027 0.000 0.656 720 A CB -0.400 18.619 19.000 0.030 0.000 0.800 720 A HN 0.609 nan 8.150 nan 0.000 0.453 721 L N -1.020 120.233 121.223 0.049 0.000 2.375 721 L HA 0.139 4.487 4.340 0.014 0.000 0.215 721 L C 1.235 178.154 176.870 0.081 0.000 1.108 721 L CA 1.798 56.690 54.840 0.087 0.000 0.830 721 L CB -0.225 41.888 42.059 0.089 0.000 0.959 721 L HN 0.280 nan 8.230 nan 0.000 0.457 722 D N -1.301 119.119 120.400 0.033 0.000 2.305 722 D HA -0.103 4.545 4.640 0.014 0.000 0.206 722 D C 2.000 178.320 176.300 0.034 0.000 0.974 722 D CA 0.407 54.421 54.000 0.024 0.000 0.871 722 D CB 0.390 41.179 40.800 -0.017 0.000 0.947 722 D HN 0.077 nan 8.370 nan 0.000 0.516 723 K N 1.086 121.506 120.400 0.034 0.000 2.021 723 K HA -0.033 4.296 4.320 0.014 0.000 0.205 723 K C 1.819 178.446 176.600 0.045 0.000 1.047 723 K CA 1.146 57.452 56.287 0.031 0.000 0.943 723 K CB -0.058 32.457 32.500 0.025 0.000 0.725 723 K HN -0.129 nan 8.250 nan 0.000 0.439 724 K N -0.509 119.926 120.400 0.058 0.000 2.209 724 K HA -0.039 4.289 4.320 0.014 0.000 0.204 724 K C -0.351 176.299 176.600 0.083 0.000 1.048 724 K CA 1.116 57.444 56.287 0.068 0.000 0.940 724 K CB -0.217 32.331 32.500 0.079 0.000 0.729 724 K HN 0.383 nan 8.250 nan 0.000 0.451 725 G N 0.442 109.303 108.800 0.102 0.000 3.209 725 G HA2 -0.251 3.717 3.960 0.014 0.000 0.686 725 G HA3 -0.251 3.717 3.960 0.014 0.000 0.686 725 G C -1.332 173.683 174.900 0.192 0.000 1.065 725 G CA -0.352 44.822 45.100 0.124 0.000 0.812 725 G HN 0.270 nan 8.290 nan 0.000 0.573 726 Y N 1.847 122.183 120.300 0.061 0.000 2.359 726 Y HA 0.588 5.146 4.550 0.014 0.000 0.334 726 Y C 0.333 176.299 175.900 0.110 0.000 1.058 726 Y CA -0.732 57.417 58.100 0.083 0.000 1.244 726 Y CB 1.672 40.145 38.460 0.021 0.000 1.187 726 Y HN 0.658 nan 8.280 nan 0.000 0.510 727 E N 4.561 124.602 120.200 -0.264 0.000 2.402 727 E HA 0.505 4.864 4.350 0.014 0.000 0.244 727 E C 0.083 176.486 176.600 -0.328 0.000 0.945 727 E CA 0.095 56.356 56.400 -0.231 0.000 0.774 727 E CB 0.756 30.444 29.700 -0.021 0.000 1.296 727 E HN 0.736 nan 8.360 nan 0.000 0.414 728 A N 4.870 127.344 122.820 -0.576 0.000 1.972 728 A HA -0.206 4.122 4.320 0.014 0.000 0.219 728 A C 1.788 179.517 177.584 0.241 0.000 1.169 728 A CA 1.759 53.646 52.037 -0.249 0.000 0.635 728 A CB -0.401 18.364 19.000 -0.392 0.000 0.810 728 A HN 0.617 nan 8.150 nan 0.000 0.446 729 K N -0.017 120.527 120.400 0.241 0.000 2.280 729 K HA -0.141 4.187 4.320 0.014 0.000 0.202 729 K C 1.398 178.193 176.600 0.324 0.000 1.047 729 K CA 1.638 58.175 56.287 0.416 0.000 0.942 729 K CB -0.279 32.401 32.500 0.299 0.000 0.739 729 K HN 0.543 nan 8.250 nan 0.000 0.457 730 E N 0.103 120.411 120.200 0.181 0.000 2.150 730 E HA -0.142 4.216 4.350 0.014 0.000 0.193 730 E C 1.379 177.968 176.600 -0.020 0.000 0.985 730 E CA 1.141 57.562 56.400 0.034 0.000 0.814 730 E CB -0.113 29.529 29.700 -0.097 0.000 0.752 730 E HN 0.456 nan 8.360 nan 0.000 0.466 731 Y N -1.321 119.031 120.300 0.088 0.000 2.395 731 Y HA -0.149 4.409 4.550 0.014 0.000 0.293 731 Y C 2.026 177.897 175.900 -0.048 0.000 1.123 731 Y CA 0.829 58.961 58.100 0.054 0.000 1.227 731 Y CB -0.345 38.188 38.460 0.123 0.000 1.012 731 Y HN 0.153 nan 8.280 nan 0.000 0.552 732 Y N 1.206 121.504 120.300 -0.004 0.000 2.242 732 Y HA -0.207 4.352 4.550 0.014 0.000 0.291 732 Y C 2.291 178.177 175.900 -0.023 0.000 1.137 732 Y CA 1.913 59.940 58.100 -0.121 0.000 1.181 732 Y CB -0.208 38.296 38.460 0.074 0.000 0.989 732 Y HN 0.222 nan 8.280 nan 0.000 0.527 733 E N -0.380 119.797 120.200 -0.039 0.000 2.170 733 E HA -0.001 4.358 4.350 0.014 0.000 0.191 733 E C 1.822 178.354 176.600 -0.113 0.000 0.981 733 E CA 0.662 56.991 56.400 -0.119 0.000 0.830 733 E CB -0.146 29.567 29.700 0.022 0.000 0.775 733 E HN 0.469 nan 8.360 nan 0.000 0.470 734 A N 0.533 123.311 122.820 -0.070 0.000 2.251 734 A HA 0.225 4.554 4.320 0.014 0.000 0.209 734 A C 0.450 178.017 177.584 -0.028 0.000 1.187 734 A CA -0.030 51.974 52.037 -0.054 0.000 0.823 734 A CB 0.128 19.087 19.000 -0.068 0.000 0.846 734 A HN 0.168 nan 8.150 nan 0.000 0.486 735 L N -0.365 120.827 121.223 -0.050 0.000 2.442 735 L HA 0.302 4.651 4.340 0.014 0.000 0.261 735 L C -2.150 174.678 176.870 -0.070 0.000 1.000 735 L CA -1.847 52.992 54.840 -0.003 0.000 0.882 735 L CB 2.101 44.217 42.059 0.096 0.000 1.207 735 L HN -0.016 nan 8.230 nan 0.000 0.443 736 P HA -0.221 nan 4.420 nan 0.000 0.208 736 P C 1.128 178.398 177.300 -0.051 0.000 1.180 736 P CA 1.368 64.426 63.100 -0.070 0.000 0.935 736 P CB 0.337 32.015 31.700 -0.036 0.000 0.785 737 E N -1.342 118.873 120.200 0.024 0.000 2.284 737 E HA -0.228 4.131 4.350 0.014 0.000 0.200 737 E C 1.798 178.432 176.600 0.057 0.000 1.008 737 E CA 0.636 57.078 56.400 0.070 0.000 0.829 737 E CB -0.529 29.256 29.700 0.141 0.000 0.744 737 E HN 0.076 nan 8.360 nan 0.000 0.491 738 L N 1.041 122.240 121.223 -0.041 0.000 2.068 738 L HA -0.095 4.253 4.340 0.014 0.000 0.204 738 L C 2.155 178.875 176.870 -0.250 0.000 1.076 738 L CA 1.718 56.340 54.840 -0.362 0.000 0.753 738 L CB -0.254 41.440 42.059 -0.608 0.000 0.910 738 L HN -0.145 nan 8.230 nan 0.000 0.439 739 K N -0.683 119.563 120.400 -0.256 0.000 2.074 739 K HA -0.245 4.083 4.320 0.014 0.000 0.209 739 K C 2.137 178.725 176.600 -0.020 0.000 1.048 739 K CA 2.011 58.138 56.287 -0.267 0.000 0.926 739 K CB -0.337 31.863 32.500 -0.499 0.000 0.713 739 K HN 0.308 nan 8.250 nan 0.000 0.444 740 L N 0.931 122.124 121.223 -0.050 0.000 2.017 740 L HA -0.150 4.198 4.340 0.014 0.000 0.208 740 L C 2.049 178.930 176.870 0.017 0.000 1.073 740 L CA 1.465 56.291 54.840 -0.024 0.000 0.745 740 L CB -0.556 41.472 42.059 -0.052 0.000 0.894 740 L HN 0.018 nan 8.230 nan 0.000 0.432 741 V N 0.063 119.994 119.914 0.028 0.000 2.252 741 V HA -0.332 3.797 4.120 0.014 0.000 0.249 741 V C 2.564 178.735 176.094 0.128 0.000 1.056 741 V CA 1.999 64.351 62.300 0.086 0.000 1.022 741 V CB -0.751 31.098 31.823 0.043 0.000 0.641 741 V HN 0.390 nan 8.190 nan 0.000 0.445 742 I N 0.163 120.803 120.570 0.117 0.000 2.226 742 I HA -0.196 3.982 4.170 0.014 0.000 0.245 742 I C 2.327 178.592 176.117 0.247 0.000 1.100 742 I CA 1.653 63.081 61.300 0.214 0.000 1.374 742 I CB -1.375 36.801 38.000 0.293 0.000 1.057 742 I HN 0.365 nan 8.210 nan 0.000 0.413 743 D N 0.562 121.104 120.400 0.237 0.000 2.097 743 D HA -0.183 4.466 4.640 0.014 0.000 0.195 743 D C 2.263 178.651 176.300 0.147 0.000 0.989 743 D CA 1.051 55.164 54.000 0.188 0.000 0.827 743 D CB -0.184 40.702 40.800 0.145 0.000 0.966 743 D HN 0.429 nan 8.370 nan 0.000 0.456 744 Q N 0.027 119.890 119.800 0.106 0.000 2.096 744 Q HA -0.129 4.219 4.340 0.014 0.000 0.204 744 Q C 2.468 178.618 176.000 0.250 0.000 0.982 744 Q CA 0.912 56.765 55.803 0.083 0.000 0.850 744 Q CB -0.050 28.637 28.738 -0.085 0.000 0.901 744 Q HN 0.369 nan 8.270 nan 0.000 0.422 745 I N 0.555 121.319 120.570 0.323 0.000 2.252 745 I HA -0.239 3.939 4.170 0.014 0.000 0.245 745 I C 2.221 178.546 176.117 0.347 0.000 1.102 745 I CA 1.027 62.548 61.300 0.369 0.000 1.385 745 I CB -0.252 37.877 38.000 0.214 0.000 1.064 745 I HN 0.235 nan 8.210 nan 0.000 0.414 746 D N 0.794 121.355 120.400 0.268 0.000 2.224 746 D HA -0.133 4.515 4.640 0.014 0.000 0.205 746 D C 1.610 178.019 176.300 0.181 0.000 0.965 746 D CA 0.936 55.072 54.000 0.227 0.000 0.852 746 D CB 0.029 40.939 40.800 0.183 0.000 0.947 746 D HN 0.282 nan 8.370 nan 0.000 0.494 747 N N -0.294 118.508 118.700 0.169 0.000 2.424 747 N HA 0.029 4.777 4.740 0.014 0.000 0.178 747 N C 1.400 176.989 175.510 0.132 0.000 1.060 747 N CA 1.106 54.234 53.050 0.130 0.000 0.901 747 N CB 0.907 39.460 38.487 0.111 0.000 0.979 747 N HN 0.350 nan 8.380 nan 0.000 0.451 748 G N 0.151 109.058 108.800 0.178 0.000 2.175 748 G HA2 -0.252 3.716 3.960 0.014 0.000 0.182 748 G HA3 -0.252 3.716 3.960 0.014 0.000 0.182 748 G C 0.563 175.527 174.900 0.107 0.000 1.003 748 G CA -0.020 45.170 45.100 0.150 0.000 0.666 748 G HN 0.288 nan 8.290 nan 0.000 0.506 749 F N 0.696 120.605 119.950 -0.068 0.000 2.202 749 F HA 0.203 4.739 4.527 0.014 0.000 0.301 749 F C 1.622 177.181 175.800 -0.402 0.000 1.082 749 F CA 1.681 59.508 58.000 -0.289 0.000 1.313 749 F CB -0.017 38.688 39.000 -0.492 0.000 1.024 749 F HN 0.147 nan 8.300 nan 0.000 0.495 750 F N -0.270 119.765 119.950 0.142 0.000 2.647 750 F HA 0.242 4.777 4.527 0.014 0.000 0.300 750 F C 0.470 176.347 175.800 0.127 0.000 1.106 750 F CA 0.093 58.127 58.000 0.056 0.000 1.313 750 F CB -0.220 38.820 39.000 0.066 0.000 1.007 750 F HN -0.010 nan 8.300 nan 0.000 0.536 751 S N -1.478 114.345 115.700 0.204 0.000 2.835 751 S HA 0.174 4.652 4.470 0.014 0.000 0.140 751 S C -2.237 172.385 174.600 0.037 0.000 1.131 751 S CA -0.770 57.505 58.200 0.125 0.000 1.110 751 S CB 0.487 63.766 63.200 0.131 0.000 1.683 751 S HN -0.093 nan 8.310 nan 0.000 0.473 752 P HA -0.156 nan 4.420 nan 0.000 0.215 752 P C 0.983 178.277 177.300 -0.010 0.000 1.157 752 P CA 1.474 64.559 63.100 -0.024 0.000 0.868 752 P CB 0.038 31.702 31.700 -0.061 0.000 0.788 753 K N -0.532 119.861 120.400 -0.011 0.000 2.280 753 K HA -0.075 4.253 4.320 0.014 0.000 0.202 753 K C 1.258 177.855 176.600 -0.005 0.000 1.047 753 K CA 1.064 57.347 56.287 -0.006 0.000 0.942 753 K CB -0.267 32.232 32.500 -0.002 0.000 0.739 753 K HN 0.392 nan 8.250 nan 0.000 0.457 754 Q N -0.846 118.947 119.800 -0.011 0.000 3.244 754 Q HA 0.174 4.523 4.340 0.014 0.000 0.249 754 Q C -2.319 173.668 176.000 -0.023 0.000 0.951 754 Q CA -1.445 54.344 55.803 -0.024 0.000 0.740 754 Q CB 1.551 30.259 28.738 -0.050 0.000 1.334 754 Q HN -0.067 nan 8.270 nan 0.000 0.448 755 P HA -0.195 nan 4.420 nan 0.000 0.217 755 P C 0.151 177.483 177.300 0.052 0.000 1.151 755 P CA 1.452 64.575 63.100 0.039 0.000 0.849 755 P CB 0.306 32.026 31.700 0.034 0.000 0.787 756 D N -2.123 118.291 120.400 0.023 0.000 2.559 756 D HA 0.079 4.727 4.640 0.014 0.000 0.234 756 D C 1.323 177.614 176.300 -0.014 0.000 1.226 756 D CA -0.284 53.738 54.000 0.036 0.000 0.830 756 D CB -0.317 40.507 40.800 0.039 0.000 1.028 756 D HN -0.005 nan 8.370 nan 0.000 0.492 757 L N -0.302 120.840 121.223 -0.134 0.000 2.079 757 L HA -0.083 4.265 4.340 0.014 0.000 0.210 757 L C 0.888 177.492 176.870 -0.442 0.000 1.081 757 L CA 1.809 56.437 54.840 -0.353 0.000 0.752 757 L CB -0.321 41.335 42.059 -0.671 0.000 0.896 757 L HN -0.079 nan 8.230 nan 0.000 0.433 758 F N -0.906 119.094 119.950 0.083 0.000 2.668 758 F HA 0.235 4.770 4.527 0.013 0.000 0.297 758 F C 1.930 177.792 175.800 0.104 0.000 1.124 758 F CA -0.195 57.849 58.000 0.073 0.000 1.353 758 F CB -0.710 38.325 39.000 0.058 0.000 0.992 758 F HN 0.022 nan 8.300 nan 0.000 0.524 759 K N 0.786 121.303 120.400 0.195 0.000 2.074 759 K HA -0.216 4.113 4.320 0.014 0.000 0.209 759 K C 1.371 178.091 176.600 0.200 0.000 1.048 759 K CA 2.089 58.483 56.287 0.179 0.000 0.926 759 K CB -0.021 32.552 32.500 0.121 0.000 0.713 759 K HN 0.106 nan 8.250 nan 0.000 0.444 760 D N 0.648 121.169 120.400 0.203 0.000 2.123 760 D HA -0.170 4.478 4.640 0.014 0.000 0.196 760 D C 1.901 178.327 176.300 0.210 0.000 0.992 760 D CA 1.204 55.335 54.000 0.218 0.000 0.833 760 D CB -0.130 40.836 40.800 0.277 0.000 0.954 760 D HN 0.334 nan 8.370 nan 0.000 0.455 761 I N 0.679 121.372 120.570 0.206 0.000 2.202 761 I HA -0.214 3.964 4.170 0.014 0.000 0.242 761 I C 2.212 178.432 176.117 0.171 0.000 1.091 761 I CA 0.482 61.878 61.300 0.160 0.000 1.368 761 I CB -0.081 38.004 38.000 0.141 0.000 1.058 761 I HN -0.026 nan 8.210 nan 0.000 0.410 762 I N 0.909 121.623 120.570 0.239 0.000 2.163 762 I HA -0.290 3.888 4.170 0.014 0.000 0.243 762 I C 2.286 178.639 176.117 0.393 0.000 1.085 762 I CA 1.619 63.120 61.300 0.335 0.000 1.347 762 I CB -1.555 36.651 38.000 0.345 0.000 1.044 762 I HN 0.343 nan 8.210 nan 0.000 0.408 763 N N 0.433 119.324 118.700 0.319 0.000 2.120 763 N HA -0.182 4.567 4.740 0.014 0.000 0.188 763 N C 1.857 177.570 175.510 0.339 0.000 1.024 763 N CA 1.115 54.384 53.050 0.365 0.000 0.852 763 N CB -0.294 38.351 38.487 0.264 0.000 1.003 763 N HN 0.302 nan 8.380 nan 0.000 0.424 764 M N 0.335 120.082 119.600 0.245 0.000 2.132 764 M HA -0.080 4.408 4.480 0.014 0.000 0.263 764 M C 1.599 177.952 176.300 0.089 0.000 1.065 764 M CA 1.148 56.581 55.300 0.222 0.000 1.122 764 M CB -0.542 32.179 32.600 0.201 0.000 1.365 764 M HN -0.007 nan 8.290 nan 0.000 0.411 765 L N 0.152 121.356 121.223 -0.032 0.000 2.191 765 L HA -0.118 4.231 4.340 0.014 0.000 0.212 765 L C 1.833 178.362 176.870 -0.568 0.000 1.103 765 L CA 1.729 56.337 54.840 -0.388 0.000 0.769 765 L CB -0.842 40.940 42.059 -0.461 0.000 0.908 765 L HN 0.226 nan 8.230 nan 0.000 0.438 766 F N -3.041 116.758 119.950 -0.252 0.000 2.505 766 F HA 0.019 4.555 4.527 0.014 0.000 0.289 766 F C 1.081 176.420 175.800 -0.769 0.000 1.101 766 F CA 0.585 58.265 58.000 -0.533 0.000 1.446 766 F CB 0.114 38.678 39.000 -0.727 0.000 1.123 766 F HN -0.007 nan 8.300 nan 0.000 0.564 767 Y N -3.719 116.713 120.300 0.221 0.000 2.672 767 Y HA 0.257 4.815 4.550 0.014 0.000 0.252 767 Y C 0.544 176.582 175.900 0.229 0.000 1.132 767 Y CA -0.217 57.990 58.100 0.179 0.000 1.228 767 Y CB 0.104 38.650 38.460 0.143 0.000 1.310 767 Y HN 0.009 nan 8.280 nan 0.000 0.549 768 H N -0.461 118.705 119.070 0.160 0.000 3.234 768 H HA 0.220 4.784 4.556 0.014 0.000 0.253 768 H C -1.202 174.157 175.328 0.052 0.000 1.171 768 H CA -0.754 55.363 56.048 0.115 0.000 0.990 768 H CB 0.278 30.118 29.762 0.130 0.000 2.344 768 H HN 0.046 nan 8.280 nan 0.000 0.713 769 D N 1.118 121.524 120.400 0.010 0.000 2.393 769 D HA 0.080 4.728 4.640 0.014 0.000 0.232 769 D C 0.993 177.149 176.300 -0.241 0.000 1.192 769 D CA -0.380 53.563 54.000 -0.095 0.000 0.882 769 D CB 0.532 41.282 40.800 -0.084 0.000 1.038 769 D HN 0.523 nan 8.370 nan 0.000 0.499 770 R N 2.691 122.894 120.500 -0.495 0.000 2.363 770 R HA 0.121 4.469 4.340 0.014 0.000 0.236 770 R C -0.127 175.608 176.300 -0.942 0.000 0.966 770 R CA 0.017 55.697 56.100 -0.700 0.000 1.100 770 R CB -0.149 29.690 30.300 -0.769 0.000 1.125 770 R HN 0.264 nan 8.270 nan 0.000 0.514 771 F N 1.428 121.254 119.950 -0.205 0.000 2.735 771 F HA 0.320 4.856 4.527 0.015 0.000 0.308 771 F C -0.013 175.627 175.800 -0.267 0.000 1.112 771 F CA -1.191 56.703 58.000 -0.177 0.000 1.235 771 F CB 0.672 39.629 39.000 -0.072 0.000 1.027 771 F HN -0.148 nan 8.300 nan 0.000 0.528 772 K N -0.143 120.016 120.400 -0.401 0.000 3.311 772 K HA -0.176 4.153 4.320 0.014 0.000 0.270 772 K C 1.145 177.605 176.600 -0.234 0.000 0.927 772 K CA 0.429 56.366 56.287 -0.583 0.000 0.706 772 K CB -2.262 29.932 32.500 -0.510 0.000 1.418 772 K HN 0.268 nan 8.250 nan 0.000 0.459 773 V N -0.146 119.672 119.914 -0.161 0.000 2.233 773 V HA -0.265 3.863 4.120 0.014 0.000 0.247 773 V C 2.194 178.365 176.094 0.128 0.000 1.050 773 V CA 2.361 64.633 62.300 -0.047 0.000 1.010 773 V CB -0.507 31.238 31.823 -0.131 0.000 0.637 773 V HN 0.505 nan 8.190 nan 0.000 0.444 774 F N 0.341 120.266 119.950 -0.043 0.000 2.216 774 F HA -0.168 4.367 4.527 0.014 0.000 0.300 774 F C 2.496 178.144 175.800 -0.253 0.000 1.085 774 F CA 0.602 58.544 58.000 -0.096 0.000 1.326 774 F CB -0.380 38.532 39.000 -0.146 0.000 1.027 774 F HN 0.192 nan 8.300 nan 0.000 0.497 775 A N -0.687 122.001 122.820 -0.219 0.000 2.067 775 A HA -0.168 4.160 4.320 0.014 0.000 0.219 775 A C 1.599 179.183 177.584 -0.001 0.000 1.158 775 A CA 1.676 53.478 52.037 -0.392 0.000 0.661 775 A CB -0.397 18.440 19.000 -0.272 0.000 0.801 775 A HN 0.259 nan 8.150 nan 0.000 0.452 776 D N -2.837 117.624 120.400 0.101 0.000 2.407 776 D HA 0.053 4.702 4.640 0.014 0.000 0.208 776 D C 1.223 177.716 176.300 0.321 0.000 1.083 776 D CA -0.006 54.124 54.000 0.217 0.000 0.844 776 D CB -0.027 40.886 40.800 0.188 0.000 0.967 776 D HN 0.500 nan 8.370 nan 0.000 0.506 777 Y N 2.608 123.024 120.300 0.194 0.000 2.040 777 Y HA -0.285 4.273 4.550 0.014 0.000 0.275 777 Y C 2.266 178.286 175.900 0.201 0.000 1.171 777 Y CA 2.201 60.434 58.100 0.221 0.000 1.123 777 Y CB -0.062 38.506 38.460 0.180 0.000 0.963 777 Y HN -0.077 nan 8.280 nan 0.000 0.493 778 E N -0.296 119.976 120.200 0.120 0.000 2.051 778 E HA -0.232 4.127 4.350 0.014 0.000 0.192 778 E C 2.256 178.850 176.600 -0.010 0.000 0.991 778 E CA 1.146 57.544 56.400 -0.003 0.000 0.799 778 E CB -0.394 29.406 29.700 0.166 0.000 0.748 778 E HN 0.578 nan 8.360 nan 0.000 0.449 779 A N 0.097 122.993 122.820 0.126 0.000 1.969 779 A HA -0.184 4.145 4.320 0.014 0.000 0.218 779 A C 1.958 179.593 177.584 0.084 0.000 1.169 779 A CA 1.272 53.414 52.037 0.175 0.000 0.635 779 A CB -0.681 18.507 19.000 0.314 0.000 0.810 779 A HN 0.529 nan 8.150 nan 0.000 0.445 780 Y N 0.823 121.008 120.300 -0.193 0.000 2.109 780 Y HA -0.148 4.410 4.550 0.013 0.000 0.285 780 Y C 2.370 177.897 175.900 -0.622 0.000 1.131 780 Y CA 1.792 59.450 58.100 -0.736 0.000 1.121 780 Y CB -0.685 37.464 38.460 -0.518 0.000 0.987 780 Y HN 0.050 nan 8.280 nan 0.000 0.495 781 V N 0.992 120.544 119.914 -0.604 0.000 2.392 781 V HA -0.319 3.809 4.120 0.014 0.000 0.249 781 V C 2.445 178.299 176.094 -0.400 0.000 1.059 781 V CA 2.316 64.263 62.300 -0.588 0.000 1.051 781 V CB -0.731 30.792 31.823 -0.500 0.000 0.658 781 V HN 0.313 nan 8.190 nan 0.000 0.455 782 K N -0.811 119.421 120.400 -0.280 0.000 2.057 782 K HA -0.204 4.124 4.320 0.014 0.000 0.206 782 K C 2.337 178.836 176.600 -0.168 0.000 1.050 782 K CA 1.711 57.901 56.287 -0.161 0.000 0.935 782 K CB -0.410 32.047 32.500 -0.072 0.000 0.715 782 K HN 0.572 nan 8.250 nan 0.000 0.439 783 C N 1.226 120.387 119.300 -0.232 0.000 2.432 783 C HA -0.077 4.391 4.460 0.014 0.000 0.277 783 C C 2.665 177.463 174.990 -0.321 0.000 1.249 783 C CA 0.817 59.721 59.018 -0.189 0.000 1.725 783 C CB -0.661 26.928 27.740 -0.251 0.000 2.028 783 C HN 0.496 nan 8.230 nan 0.000 0.477 784 Q N 0.500 119.958 119.800 -0.571 0.000 2.152 784 Q HA -0.181 4.167 4.340 0.014 0.000 0.206 784 Q C 1.772 177.562 176.000 -0.351 0.000 0.985 784 Q CA 1.857 57.303 55.803 -0.596 0.000 0.863 784 Q CB -0.616 27.564 28.738 -0.930 0.000 0.904 784 Q HN 0.721 nan 8.270 nan 0.000 0.422 785 D N 0.377 120.624 120.400 -0.255 0.000 2.117 785 D HA -0.129 4.519 4.640 0.014 0.000 0.197 785 D C 1.816 178.044 176.300 -0.121 0.000 0.987 785 D CA 0.849 54.751 54.000 -0.163 0.000 0.829 785 D CB 0.093 40.824 40.800 -0.116 0.000 0.961 785 D HN 0.147 nan 8.370 nan 0.000 0.460 786 K N 0.838 121.188 120.400 -0.082 0.000 2.063 786 K HA -0.083 4.245 4.320 0.014 0.000 0.208 786 K C 2.346 178.943 176.600 -0.005 0.000 1.048 786 K CA 0.397 56.706 56.287 0.038 0.000 0.928 786 K CB -0.790 31.817 32.500 0.179 0.000 0.713 786 K HN 0.118 nan 8.250 nan 0.000 0.442 787 V N 1.694 121.420 119.914 -0.315 0.000 2.255 787 V HA -0.246 3.882 4.120 0.014 0.000 0.247 787 V C 2.394 178.425 176.094 -0.105 0.000 1.051 787 V CA 2.058 64.043 62.300 -0.526 0.000 1.018 787 V CB -0.637 30.759 31.823 -0.711 0.000 0.641 787 V HN 0.265 nan 8.190 nan 0.000 0.445 788 S N -0.841 114.764 115.700 -0.158 0.000 2.383 788 S HA -0.272 4.206 4.470 0.014 0.000 0.229 788 S C 1.968 176.560 174.600 -0.014 0.000 1.030 788 S CA 1.601 59.724 58.200 -0.127 0.000 1.002 788 S CB -0.333 62.721 63.200 -0.243 0.000 0.829 788 S HN 0.669 nan 8.310 nan 0.000 0.467 789 Q N 0.308 120.109 119.800 0.001 0.000 2.002 789 Q HA -0.139 4.210 4.340 0.014 0.000 0.204 789 Q C 2.291 178.360 176.000 0.115 0.000 0.988 789 Q CA 1.364 57.193 55.803 0.043 0.000 0.843 789 Q CB -0.449 28.319 28.738 0.050 0.000 0.908 789 Q HN 0.366 nan 8.270 nan 0.000 0.420 790 L N -0.138 121.215 121.223 0.216 0.000 2.127 790 L HA -0.206 4.142 4.340 0.014 0.000 0.211 790 L C 2.147 179.237 176.870 0.367 0.000 1.089 790 L CA 1.625 56.665 54.840 0.332 0.000 0.757 790 L CB -0.583 41.788 42.059 0.519 0.000 0.899 790 L HN 0.207 nan 8.230 nan 0.000 0.434 791 Y N -0.499 119.893 120.300 0.154 0.000 2.256 791 Y HA -0.243 4.315 4.550 0.013 0.000 0.288 791 Y C 2.294 178.086 175.900 -0.179 0.000 1.155 791 Y CA 1.766 59.738 58.100 -0.213 0.000 1.203 791 Y CB -0.244 37.928 38.460 -0.479 0.000 0.980 791 Y HN 0.220 nan 8.280 nan 0.000 0.530 792 M N -0.589 118.982 119.600 -0.048 0.000 2.630 792 M HA -0.141 4.347 4.480 0.014 0.000 0.254 792 M C 0.374 176.617 176.300 -0.096 0.000 1.092 792 M CA 1.087 56.334 55.300 -0.089 0.000 1.087 792 M CB -0.230 32.355 32.600 -0.026 0.000 1.453 792 M HN 0.214 nan 8.290 nan 0.000 0.509 793 N N 1.151 119.819 118.700 -0.053 0.000 2.976 793 N HA 0.158 4.907 4.740 0.014 0.000 0.255 793 N C -1.902 173.604 175.510 -0.007 0.000 1.312 793 N CA -1.657 51.386 53.050 -0.013 0.000 0.897 793 N CB 1.011 39.527 38.487 0.049 0.000 1.184 793 N HN -0.097 nan 8.380 nan 0.000 0.497 794 P HA -0.215 nan 4.420 nan 0.000 0.217 794 P C 0.758 178.078 177.300 0.034 0.000 1.151 794 P CA 1.352 64.395 63.100 -0.096 0.000 0.849 794 P CB 0.418 32.014 31.700 -0.174 0.000 0.787 795 K N 0.378 120.792 120.400 0.023 0.000 2.032 795 K HA -0.073 4.255 4.320 0.014 0.000 0.209 795 K C 2.381 179.026 176.600 0.075 0.000 1.048 795 K CA 1.980 58.293 56.287 0.043 0.000 0.927 795 K CB -1.398 31.120 32.500 0.029 0.000 0.712 795 K HN 0.129 nan 8.250 nan 0.000 0.441 796 A N 0.026 122.900 122.820 0.090 0.000 1.970 796 A HA -0.107 4.221 4.320 0.014 0.000 0.216 796 A C 1.987 179.654 177.584 0.138 0.000 1.170 796 A CA 0.818 52.913 52.037 0.097 0.000 0.645 796 A CB -0.751 18.303 19.000 0.090 0.000 0.816 796 A HN 0.551 nan 8.150 nan 0.000 0.447 797 W N 1.576 122.877 121.300 0.001 0.000 2.354 797 W HA -0.154 4.515 4.660 0.015 0.000 0.315 797 W C 1.309 177.841 176.519 0.022 0.000 1.206 797 W CA 1.833 59.195 57.345 0.028 0.000 1.290 797 W CB -0.510 28.932 29.460 -0.031 0.000 1.152 797 W HN 0.365 nan 8.180 nan 0.000 0.489 798 N N 0.044 118.909 118.700 0.275 0.000 2.381 798 N HA -0.118 4.630 4.740 0.014 0.000 0.182 798 N C 1.581 177.123 175.510 0.054 0.000 1.025 798 N CA 1.909 55.048 53.050 0.149 0.000 0.888 798 N CB -0.481 38.073 38.487 0.112 0.000 0.965 798 N HN 0.128 nan 8.380 nan 0.000 0.438 799 T N 1.010 115.596 114.554 0.053 0.000 2.857 799 T HA 0.011 4.370 4.350 0.014 0.000 0.266 799 T C 1.911 176.610 174.700 -0.001 0.000 1.048 799 T CA 0.500 62.629 62.100 0.048 0.000 1.139 799 T CB 0.085 68.984 68.868 0.051 0.000 0.874 799 T HN 0.196 nan 8.240 nan 0.000 0.455 800 M N 0.773 120.333 119.600 -0.066 0.000 2.200 800 M HA -0.054 4.434 4.480 0.014 0.000 0.265 800 M C 2.042 178.255 176.300 -0.144 0.000 1.066 800 M CA 1.160 56.381 55.300 -0.131 0.000 1.127 800 M CB -0.135 32.330 32.600 -0.225 0.000 1.379 800 M HN 0.055 nan 8.290 nan 0.000 0.420 801 V N 0.803 120.617 119.914 -0.166 0.000 2.295 801 V HA -0.271 3.858 4.120 0.014 0.000 0.246 801 V C 2.331 178.406 176.094 -0.033 0.000 1.049 801 V CA 1.601 63.834 62.300 -0.112 0.000 1.024 801 V CB -0.890 30.896 31.823 -0.063 0.000 0.648 801 V HN 0.544 nan 8.190 nan 0.000 0.447 802 L N 0.404 121.633 121.223 0.010 0.000 2.012 802 L HA -0.187 4.161 4.340 0.014 0.000 0.210 802 L C 2.368 179.221 176.870 -0.027 0.000 1.073 802 L CA 1.998 56.871 54.840 0.055 0.000 0.748 802 L CB -0.884 41.271 42.059 0.162 0.000 0.891 802 L HN 0.228 nan 8.230 nan 0.000 0.431 803 K N -0.593 119.790 120.400 -0.028 0.000 2.103 803 K HA -0.165 4.164 4.320 0.014 0.000 0.207 803 K C 2.045 178.636 176.600 -0.015 0.000 1.048 803 K CA 1.493 57.764 56.287 -0.025 0.000 0.930 803 K CB -0.280 32.233 32.500 0.023 0.000 0.716 803 K HN 0.498 nan 8.250 nan 0.000 0.444 804 N N 0.939 119.626 118.700 -0.021 0.000 2.062 804 N HA -0.095 4.654 4.740 0.014 0.000 0.191 804 N C 1.986 177.509 175.510 0.022 0.000 1.042 804 N CA 1.147 54.198 53.050 0.002 0.000 0.845 804 N CB -0.094 38.377 38.487 -0.027 0.000 1.024 804 N HN 0.098 nan 8.380 nan 0.000 0.424 805 I N 1.594 122.167 120.570 0.005 0.000 2.151 805 I HA -0.261 3.917 4.170 0.014 0.000 0.243 805 I C 2.359 178.473 176.117 -0.005 0.000 1.080 805 I CA 1.097 62.405 61.300 0.013 0.000 1.339 805 I CB -0.400 37.604 38.000 0.006 0.000 1.039 805 I HN 0.088 nan 8.210 nan 0.000 0.409 806 A N 0.385 123.163 122.820 -0.070 0.000 2.125 806 A HA 0.022 4.350 4.320 0.014 0.000 0.219 806 A C 2.201 179.776 177.584 -0.015 0.000 1.156 806 A CA 1.671 53.624 52.037 -0.141 0.000 0.671 806 A CB -0.507 18.189 19.000 -0.506 0.000 0.794 806 A HN 0.481 nan 8.150 nan 0.000 0.459 807 A N -1.354 121.493 122.820 0.046 0.000 2.390 807 A HA 0.369 4.697 4.320 0.014 0.000 0.232 807 A C 1.885 179.554 177.584 0.143 0.000 1.233 807 A CA 0.801 52.903 52.037 0.107 0.000 0.907 807 A CB -0.198 18.879 19.000 0.128 0.000 0.967 807 A HN 0.309 nan 8.150 nan 0.000 0.512 808 S N 0.217 116.009 115.700 0.153 0.000 2.423 808 S HA -0.065 4.413 4.470 0.014 0.000 0.231 808 S C 2.137 176.848 174.600 0.184 0.000 1.014 808 S CA 1.004 59.356 58.200 0.254 0.000 0.965 808 S CB -0.429 62.876 63.200 0.175 0.000 0.785 808 S HN 0.788 nan 8.310 nan 0.000 0.495 809 G N 2.440 111.287 108.800 0.079 0.000 2.663 809 G HA2 -0.419 3.549 3.960 0.014 0.000 0.222 809 G HA3 -0.419 3.549 3.960 0.014 0.000 0.222 809 G C 1.275 176.139 174.900 -0.059 0.000 1.146 809 G CA 1.713 46.831 45.100 0.029 0.000 0.764 809 G HN 0.555 nan 8.290 nan 0.000 0.608 810 K N -0.238 120.017 120.400 -0.242 0.000 2.103 810 K HA -0.080 4.248 4.320 0.014 0.000 0.207 810 K C 1.548 177.896 176.600 -0.419 0.000 1.048 810 K CA 1.149 57.173 56.287 -0.439 0.000 0.930 810 K CB -0.305 31.730 32.500 -0.775 0.000 0.716 810 K HN 0.337 nan 8.250 nan 0.000 0.444 811 F N 1.396 121.375 119.950 0.048 0.000 2.716 811 F HA 0.126 4.661 4.527 0.014 0.000 0.301 811 F C 0.753 176.593 175.800 0.067 0.000 1.210 811 F CA -0.128 57.903 58.000 0.053 0.000 1.422 811 F CB -0.281 38.741 39.000 0.037 0.000 1.073 811 F HN -0.116 nan 8.300 nan 0.000 0.525 812 S N -0.064 115.728 115.700 0.153 0.000 2.537 812 S HA 0.186 4.665 4.470 0.014 0.000 0.275 812 S C 1.400 176.084 174.600 0.141 0.000 1.272 812 S CA -0.237 58.047 58.200 0.140 0.000 1.050 812 S CB 0.826 64.082 63.200 0.093 0.000 0.961 812 S HN 0.334 nan 8.310 nan 0.000 0.496 813 S N 3.348 119.152 115.700 0.173 0.000 2.469 813 S HA -0.096 4.383 4.470 0.014 0.000 0.238 813 S C 0.989 175.638 174.600 0.082 0.000 0.998 813 S CA 0.825 59.145 58.200 0.200 0.000 0.957 813 S CB -0.319 63.063 63.200 0.305 0.000 0.764 813 S HN 0.794 nan 8.310 nan 0.000 0.514 814 D N 1.794 122.232 120.400 0.063 0.000 2.117 814 D HA -0.077 4.571 4.640 0.014 0.000 0.198 814 D C 2.115 178.421 176.300 0.010 0.000 0.982 814 D CA 0.796 54.812 54.000 0.026 0.000 0.828 814 D CB -0.314 40.506 40.800 0.033 0.000 0.967 814 D HN 0.412 nan 8.370 nan 0.000 0.464 815 R N 0.786 121.298 120.500 0.020 0.000 2.081 815 R HA -0.098 4.251 4.340 0.014 0.000 0.235 815 R C 1.869 178.167 176.300 -0.003 0.000 1.131 815 R CA 1.344 57.444 56.100 0.001 0.000 0.960 815 R CB -0.353 29.941 30.300 -0.011 0.000 0.856 815 R HN 0.063 nan 8.270 nan 0.000 0.436 816 T N 1.950 116.522 114.554 0.030 0.000 2.708 816 T HA -0.095 4.264 4.350 0.014 0.000 0.266 816 T C 1.867 176.567 174.700 0.001 0.000 1.037 816 T CA 1.268 63.405 62.100 0.062 0.000 1.146 816 T CB -0.077 68.903 68.868 0.187 0.000 0.865 816 T HN 0.129 nan 8.240 nan 0.000 0.435 817 I N 1.398 121.884 120.570 -0.141 0.000 2.394 817 I HA -0.083 4.095 4.170 0.014 0.000 0.251 817 I C 2.275 178.357 176.117 -0.058 0.000 1.136 817 I CA 1.236 62.421 61.300 -0.191 0.000 1.425 817 I CB -0.950 36.943 38.000 -0.179 0.000 1.079 817 I HN 0.302 nan 8.210 nan 0.000 0.425 818 K N 0.913 121.292 120.400 -0.035 0.000 2.032 818 K HA -0.189 4.139 4.320 0.014 0.000 0.209 818 K C 1.899 178.465 176.600 -0.056 0.000 1.048 818 K CA 1.418 57.692 56.287 -0.021 0.000 0.927 818 K CB -0.140 32.350 32.500 -0.017 0.000 0.712 818 K HN 0.478 nan 8.250 nan 0.000 0.441 819 E N -0.242 119.905 120.200 -0.089 0.000 2.106 819 E HA -0.177 4.182 4.350 0.014 0.000 0.192 819 E C 1.961 178.399 176.600 -0.269 0.000 0.984 819 E CA 1.055 57.362 56.400 -0.155 0.000 0.806 819 E CB -0.170 29.429 29.700 -0.168 0.000 0.750 819 E HN 0.331 nan 8.360 nan 0.000 0.458 820 Y N 1.104 121.151 120.300 -0.422 0.000 2.133 820 Y HA -0.194 4.364 4.550 0.014 0.000 0.287 820 Y C 2.592 178.059 175.900 -0.721 0.000 1.134 820 Y CA 1.361 58.980 58.100 -0.801 0.000 1.133 820 Y CB -0.426 37.222 38.460 -1.354 0.000 0.987 820 Y HN 0.027 nan 8.280 nan 0.000 0.502 821 A N -0.389 122.323 122.820 -0.180 0.000 1.940 821 A HA -0.301 4.027 4.320 0.014 0.000 0.219 821 A C 2.141 179.765 177.584 0.068 0.000 1.176 821 A CA 2.132 54.260 52.037 0.152 0.000 0.631 821 A CB -0.743 18.381 19.000 0.207 0.000 0.814 821 A HN 0.604 nan 8.150 nan 0.000 0.446 822 Q N -0.928 118.858 119.800 -0.022 0.000 2.204 822 Q HA -0.045 4.304 4.340 0.014 0.000 0.198 822 Q C 1.046 177.021 176.000 -0.040 0.000 0.946 822 Q CA 1.432 57.223 55.803 -0.019 0.000 0.859 822 Q CB 0.018 28.738 28.738 -0.030 0.000 0.946 822 Q HN 0.754 nan 8.270 nan 0.000 0.474 823 N N -1.052 117.585 118.700 -0.105 0.000 2.205 823 N HA 0.248 4.997 4.740 0.014 0.000 0.201 823 N C 0.682 176.127 175.510 -0.107 0.000 1.128 823 N CA 0.194 53.180 53.050 -0.106 0.000 0.867 823 N CB 0.894 39.292 38.487 -0.149 0.000 0.996 823 N HN 0.207 nan 8.380 nan 0.000 0.503 824 I N -1.845 118.648 120.570 -0.129 0.000 4.193 824 I HA 0.110 4.289 4.170 0.014 0.000 0.287 824 I C 0.689 176.943 176.117 0.229 0.000 1.175 824 I CA -0.005 61.259 61.300 -0.060 0.000 1.320 824 I CB 0.319 38.124 38.000 -0.325 0.000 1.523 824 I HN 0.104 nan 8.210 nan 0.000 0.450 825 W N 1.548 122.928 121.300 0.133 0.000 2.737 825 W HA 0.223 4.891 4.660 0.013 0.000 0.262 825 W C 0.799 177.336 176.519 0.030 0.000 1.282 825 W CA 0.172 57.575 57.345 0.096 0.000 1.386 825 W CB -1.085 28.422 29.460 0.078 0.000 1.099 825 W HN 0.301 nan 8.180 nan 0.000 0.621 826 N N 0.655 119.485 118.700 0.218 0.000 2.727 826 N HA -0.190 4.558 4.740 0.014 0.000 0.251 826 N C -0.889 174.674 175.510 0.088 0.000 1.040 826 N CA 0.467 53.583 53.050 0.109 0.000 0.712 826 N CB -0.889 37.637 38.487 0.064 0.000 0.912 826 N HN -0.061 nan 8.380 nan 0.000 0.545 827 V N -1.645 118.342 119.914 0.122 0.000 2.962 827 V HA 0.748 4.877 4.120 0.014 0.000 0.313 827 V C -0.255 175.878 176.094 0.064 0.000 1.099 827 V CA -0.912 61.430 62.300 0.070 0.000 0.971 827 V CB 2.024 33.892 31.823 0.076 0.000 1.028 827 V HN 0.226 nan 8.190 nan 0.000 0.430 828 E N 4.217 124.434 120.200 0.028 0.000 2.133 828 E HA 0.551 4.909 4.350 0.014 0.000 0.274 828 E C -2.614 174.005 176.600 0.031 0.000 0.930 828 E CA -2.507 53.910 56.400 0.029 0.000 0.770 828 E CB 1.637 31.348 29.700 0.018 0.000 1.104 828 E HN 0.716 nan 8.360 nan 0.000 0.403 829 P HA 0.008 nan 4.420 nan 0.000 0.259 829 P C -0.863 176.461 177.300 0.039 0.000 1.211 829 P CA 0.391 63.515 63.100 0.039 0.000 0.810 829 P CB 0.249 31.971 31.700 0.037 0.000 0.815 830 S N 0.000 115.728 115.700 0.046 0.000 2.498 830 S HA 0.000 4.478 4.470 0.014 0.000 0.327 830 S CA 0.000 58.239 58.200 0.066 0.000 1.107 830 S CB 0.000 63.232 63.200 0.053 0.000 0.593 830 S HN 0.000 nan 8.310 nan 0.000 0.517