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 3opy_1_A DATA FIRST_RESID 5 DATA SEQUENCE SISDLSFTSF VTNDDNLFEE TFNFYTKLGF HATRSYVKXN RSDFELTGIS DATA SEQUENCE XDSIKEIWLE SFPLSEVVEA XXGRELRKPL QESVGYESEA LLGYXPYQXG DATA SEQUENCE GVVIKLRLSN XXXEKNNDLP GEVTFFTASI DKLKAKLIEI GAEIIPSKXX DATA SEQUENCE LVEFSTRDPM GDVISFSSYP SLXSKKITSP DFXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXEGKKKIA IITSGGDAPG MNAAVRAVTR AGIFYGCKVY ACYEGYTGLV DATA SEQUENCE KGGDMLKELQ WQDVRGLLSI GGTIIGTARC KEFRERWGRL QACYNMVSNG DATA SEQUENCE IDALVVCGGD GSLTGADLFR KEWPELIKEX XXXXXXXKEQ YETHRNLTIV DATA SEQUENCE GLVGSIDNDM CGTDSTIGAY SSLERIIELV DYIDATAASH SRAFVVEVMG DATA SEQUENCE RHCGWLGLMS GIATGADYIF IPERPPSESN WKDDLKKVCL RHREKGRRKT DATA SEQUENCE TVIVAEGAID DQLNPITSEE VKDVLVEIGL DTRITRLGHV QRGGAPCAFD DATA SEQUENCE RFLATVQGVD AVRAVLESTP AIPSPVISIL ENKIVRQPLV ESVAQTKTVS DATA SEQUENCE AAIEAKDFDK ALQLRDQEFA TSYENFLSVS KYDDGSYLVP ESSRLNIAII DATA SEQUENCE HVGAPTSALN PATRVATLNS LAKGHRVFAI RNGFAGLIRH GAVRELNWID DATA SEQUENCE VEDWHNTGGS EIGTNRSLPS DDMGTVAYYF QQYKFDGLII IGGFEAFTAL DATA SEQUENCE YELDAARAQY PIFNIPMCCL PATVSNNVPG TEYSLGSDTC LNTLSGYCDA DATA SEQUENCE VKQSASXSRR RTFVVEVQGG YSGYLASYAG LITGALAVYT PENPINLQTV DATA SEQUENCE QEDIELLTRT YEEDDXXXRS GKIFIHNEKA SKVYTTDLIA AIIGEAGKGR DATA SEQUENCE FESRTAVPGH VQQGKSPSSI DRVNACRLAI KCCNFIEDAN FQVKHNANLS DATA SEQUENCE ADERHLRFFY DDGVKTSAVS GKSSVIDDNT SVVIGIQGSE VTFTPVKQLW DATA SEQUENCE ENETHHKWXX XXNVHWEQLN IVSDLLSGRL SIRTT 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.592 174.600 -0.014 0.000 1.055 5 S CA 0.000 58.191 58.200 -0.014 0.000 1.107 5 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 6 I N 1.086 121.645 120.570 -0.017 0.000 2.396 6 I HA 0.923 5.104 4.170 0.020 0.000 0.289 6 I C 1.592 177.701 176.117 -0.014 0.000 1.056 6 I CA -0.015 61.274 61.300 -0.019 0.000 1.365 6 I CB -0.362 37.622 38.000 -0.027 0.000 1.407 6 I HN 0.920 nan 8.210 nan 0.000 0.509 7 S N 2.919 118.615 115.700 -0.006 0.000 2.343 7 S HA -0.002 4.480 4.470 0.020 0.000 0.219 7 S C 1.183 175.786 174.600 0.004 0.000 1.033 7 S CA 2.156 60.358 58.200 0.004 0.000 1.014 7 S CB -0.064 63.145 63.200 0.016 0.000 0.915 7 S HN 0.921 nan 8.310 nan 0.000 0.435 8 D N -2.921 117.479 120.400 0.001 0.000 3.557 8 D HA 0.559 5.211 4.640 0.020 0.000 0.331 8 D C -1.419 174.872 176.300 -0.016 0.000 1.442 8 D CA 0.324 54.325 54.000 0.001 0.000 0.971 8 D CB 0.580 41.393 40.800 0.022 0.000 1.423 8 D HN 0.445 nan 8.370 nan 0.000 0.604 9 L N 0.667 121.883 121.223 -0.012 0.000 2.296 9 L HA 0.609 4.960 4.340 0.020 0.000 0.286 9 L C 1.295 178.145 176.870 -0.034 0.000 1.023 9 L CA -0.200 54.615 54.840 -0.040 0.000 0.812 9 L CB 1.012 43.059 42.059 -0.020 0.000 1.223 9 L HN 0.418 nan 8.230 nan 0.000 0.421 10 S N 1.747 117.396 115.700 -0.084 0.000 2.336 10 S HA 0.378 4.860 4.470 0.020 0.000 0.216 10 S C 0.409 175.056 174.600 0.078 0.000 1.032 10 S CA 1.838 60.032 58.200 -0.009 0.000 0.973 10 S CB -0.126 63.072 63.200 -0.002 0.000 0.888 10 S HN 1.580 nan 8.310 nan 0.000 0.455 11 F N -0.823 119.049 119.950 -0.129 0.000 2.807 11 F HA 0.567 5.105 4.527 0.019 0.000 0.316 11 F C -0.843 174.848 175.800 -0.181 0.000 1.162 11 F CA -0.893 56.999 58.000 -0.181 0.000 0.910 11 F CB 1.072 39.899 39.000 -0.288 0.000 1.314 11 F HN -0.054 nan 8.300 nan 0.000 0.454 12 T N -0.549 113.985 114.554 -0.035 0.000 2.823 12 T HA 0.654 5.016 4.350 0.020 0.000 0.279 12 T C -0.868 173.688 174.700 -0.241 0.000 0.998 12 T CA -0.520 61.453 62.100 -0.212 0.000 0.994 12 T CB 1.469 70.206 68.868 -0.219 0.000 0.960 12 T HN 0.986 nan 8.240 nan 0.000 0.448 13 S N 2.297 117.879 115.700 -0.196 0.000 2.454 13 S HA 0.713 5.195 4.470 0.020 0.000 0.306 13 S C -1.550 173.022 174.600 -0.046 0.000 1.100 13 S CA -0.786 57.370 58.200 -0.072 0.000 1.087 13 S CB 0.008 63.296 63.200 0.148 0.000 1.019 13 S HN 0.536 nan 8.310 nan 0.000 0.480 14 F N 4.088 124.107 119.950 0.116 0.000 2.445 14 F HA 0.461 5.000 4.527 0.020 0.000 0.348 14 F C -0.164 175.723 175.800 0.145 0.000 1.125 14 F CA -1.202 56.867 58.000 0.115 0.000 0.983 14 F CB 1.473 40.540 39.000 0.111 0.000 1.198 14 F HN 0.228 nan 8.300 nan 0.000 0.436 15 V N 2.750 122.846 119.914 0.303 0.000 2.427 15 V HA 0.904 5.036 4.120 0.020 0.000 0.286 15 V C 0.343 176.547 176.094 0.185 0.000 1.034 15 V CA -0.354 62.079 62.300 0.221 0.000 0.893 15 V CB 0.936 32.854 31.823 0.157 0.000 0.982 15 V HN 0.957 nan 8.190 nan 0.000 0.452 16 T N 0.936 115.598 114.554 0.180 0.000 2.906 16 T HA 0.442 4.804 4.350 0.020 0.000 0.295 16 T C 0.652 175.403 174.700 0.085 0.000 1.061 16 T CA -0.683 61.501 62.100 0.140 0.000 1.000 16 T CB 1.418 70.401 68.868 0.192 0.000 1.103 16 T HN 0.488 nan 8.240 nan 0.000 0.486 17 N N 0.265 119.001 118.700 0.059 0.000 2.439 17 N HA -0.018 4.734 4.740 0.020 0.000 0.176 17 N C -0.430 175.095 175.510 0.024 0.000 1.029 17 N CA 0.261 53.329 53.050 0.029 0.000 0.886 17 N CB 0.399 38.901 38.487 0.025 0.000 1.057 17 N HN 0.682 nan 8.380 nan 0.000 0.437 18 D N 0.960 121.389 120.400 0.048 0.000 2.317 18 D HA 0.009 4.661 4.640 0.020 0.000 0.252 18 D C 0.463 176.818 176.300 0.092 0.000 1.174 18 D CA -0.058 53.975 54.000 0.055 0.000 0.866 18 D CB 1.303 42.135 40.800 0.054 0.000 1.127 18 D HN 0.138 nan 8.370 nan 0.000 0.467 19 D N 2.876 123.316 120.400 0.067 0.000 2.144 19 D HA -0.160 4.492 4.640 0.020 0.000 0.200 19 D C 1.169 177.580 176.300 0.186 0.000 0.978 19 D CA 0.962 55.026 54.000 0.107 0.000 0.833 19 D CB 0.269 41.090 40.800 0.035 0.000 0.961 19 D HN 0.294 nan 8.370 nan 0.000 0.470 20 N N 0.182 118.952 118.700 0.118 0.000 2.166 20 N HA -0.133 4.619 4.740 0.020 0.000 0.186 20 N C 1.968 177.546 175.510 0.113 0.000 1.019 20 N CA 0.620 53.732 53.050 0.103 0.000 0.856 20 N CB -0.295 38.229 38.487 0.063 0.000 0.993 20 N HN 0.339 nan 8.380 nan 0.000 0.426 21 L N -0.268 121.023 121.223 0.115 0.000 2.093 21 L HA -0.094 4.258 4.340 0.020 0.000 0.208 21 L C 2.245 179.208 176.870 0.156 0.000 1.085 21 L CA 0.727 55.626 54.840 0.099 0.000 0.755 21 L CB -0.331 41.775 42.059 0.079 0.000 0.904 21 L HN 0.037 nan 8.230 nan 0.000 0.435 22 F N 1.156 121.147 119.950 0.070 0.000 2.075 22 F HA -0.276 4.263 4.527 0.020 0.000 0.297 22 F C 2.448 178.338 175.800 0.150 0.000 1.113 22 F CA 1.988 60.051 58.000 0.105 0.000 1.218 22 F CB -0.033 39.014 39.000 0.079 0.000 0.984 22 F HN -0.031 nan 8.300 nan 0.000 0.472 23 E N 0.397 120.699 120.200 0.170 0.000 2.106 23 E HA -0.185 4.177 4.350 0.020 0.000 0.192 23 E C 2.067 178.755 176.600 0.147 0.000 0.984 23 E CA 1.600 58.071 56.400 0.118 0.000 0.806 23 E CB -0.206 29.607 29.700 0.188 0.000 0.750 23 E HN 0.576 nan 8.360 nan 0.000 0.458 24 E N -1.020 119.243 120.200 0.104 0.000 2.204 24 E HA -0.113 4.249 4.350 0.020 0.000 0.194 24 E C 1.738 178.370 176.600 0.053 0.000 0.989 24 E CA 1.397 57.839 56.400 0.070 0.000 0.824 24 E CB 0.098 29.819 29.700 0.036 0.000 0.756 24 E HN 0.219 nan 8.360 nan 0.000 0.477 25 T N 0.703 115.284 114.554 0.045 0.000 2.812 25 T HA -0.120 4.242 4.350 0.020 0.000 0.264 25 T C 1.464 176.283 174.700 0.200 0.000 1.042 25 T CA 0.779 62.918 62.100 0.066 0.000 1.140 25 T CB -0.310 68.614 68.868 0.093 0.000 0.870 25 T HN 0.197 nan 8.240 nan 0.000 0.445 26 F N 2.864 122.786 119.950 -0.047 0.000 2.069 26 F HA -0.143 4.395 4.527 0.019 0.000 0.298 26 F C 1.817 177.642 175.800 0.041 0.000 1.113 26 F CA 1.476 59.446 58.000 -0.050 0.000 1.214 26 F CB -0.827 38.032 39.000 -0.235 0.000 0.978 26 F HN 0.119 nan 8.300 nan 0.000 0.474 27 N N -0.692 117.925 118.700 -0.139 0.000 2.289 27 N HA -0.199 4.553 4.740 0.020 0.000 0.184 27 N C 1.796 177.232 175.510 -0.124 0.000 1.016 27 N CA 1.229 54.150 53.050 -0.215 0.000 0.872 27 N CB -0.454 38.018 38.487 -0.026 0.000 0.973 27 N HN 0.413 nan 8.380 nan 0.000 0.433 28 F N 0.683 120.507 119.950 -0.209 0.000 2.075 28 F HA -0.184 4.355 4.527 0.020 0.000 0.297 28 F C 1.513 177.132 175.800 -0.302 0.000 1.113 28 F CA 1.380 59.214 58.000 -0.277 0.000 1.218 28 F CB -0.341 38.426 39.000 -0.388 0.000 0.984 28 F HN 0.005 nan 8.300 nan 0.000 0.472 29 Y N 0.389 120.630 120.300 -0.098 0.000 2.373 29 Y HA -0.095 4.467 4.550 0.020 0.000 0.293 29 Y C 2.608 178.438 175.900 -0.116 0.000 1.129 29 Y CA 1.445 59.426 58.100 -0.198 0.000 1.226 29 Y CB -1.315 36.925 38.460 -0.368 0.000 1.000 29 Y HN 0.031 nan 8.280 nan 0.000 0.549 30 T N -0.029 114.441 114.554 -0.139 0.000 2.746 30 T HA -0.191 4.171 4.350 0.020 0.000 0.267 30 T C 1.754 176.345 174.700 -0.181 0.000 1.039 30 T CA 1.652 63.606 62.100 -0.245 0.000 1.142 30 T CB -0.173 68.385 68.868 -0.517 0.000 0.866 30 T HN 0.289 nan 8.240 nan 0.000 0.444 31 K N 0.610 120.898 120.400 -0.187 0.000 2.211 31 K HA 0.134 4.466 4.320 0.020 0.000 0.203 31 K C 1.653 178.162 176.600 -0.151 0.000 1.050 31 K CA 0.697 56.886 56.287 -0.164 0.000 0.945 31 K CB -0.109 32.289 32.500 -0.170 0.000 0.732 31 K HN 0.296 nan 8.250 nan 0.000 0.451 32 L N -0.361 120.774 121.223 -0.148 0.000 2.612 32 L HA 0.143 4.495 4.340 0.020 0.000 0.230 32 L C 0.842 177.720 176.870 0.012 0.000 1.140 32 L CA 0.165 54.961 54.840 -0.073 0.000 0.896 32 L CB 0.300 42.291 42.059 -0.113 0.000 1.065 32 L HN 0.432 nan 8.230 nan 0.000 0.447 33 G N -0.882 107.898 108.800 -0.034 0.000 2.163 33 G HA2 -0.251 3.721 3.960 0.020 0.000 0.213 33 G HA3 -0.251 3.721 3.960 0.020 0.000 0.213 33 G C 0.026 174.810 174.900 -0.193 0.000 0.991 33 G CA -0.685 44.349 45.100 -0.110 0.000 0.653 33 G HN 0.130 nan 8.290 nan 0.000 0.518 34 F N 1.805 121.665 119.950 -0.150 0.000 2.375 34 F HA 0.628 5.167 4.527 0.020 0.000 0.333 34 F C 1.060 176.712 175.800 -0.247 0.000 1.104 34 F CA -0.230 57.711 58.000 -0.099 0.000 1.149 34 F CB 0.942 39.912 39.000 -0.049 0.000 1.190 34 F HN 0.054 nan 8.300 nan 0.000 0.533 35 H N 1.384 120.591 119.070 0.228 0.000 2.609 35 H HA 0.471 5.039 4.556 0.020 0.000 0.344 35 H C -0.709 174.770 175.328 0.252 0.000 1.040 35 H CA -0.999 55.189 56.048 0.233 0.000 1.216 35 H CB 1.750 31.715 29.762 0.337 0.000 1.529 35 H HN 0.693 nan 8.280 nan 0.000 0.519 36 A N 2.757 125.790 122.820 0.354 0.000 2.395 36 A HA 0.193 4.524 4.320 0.020 0.000 0.286 36 A C 0.997 178.749 177.584 0.279 0.000 1.193 36 A CA -0.247 51.991 52.037 0.334 0.000 0.852 36 A CB -0.068 19.163 19.000 0.386 0.000 1.118 36 A HN 0.790 nan 8.150 nan 0.000 0.524 37 T N 1.665 116.372 114.554 0.256 0.000 3.031 37 T HA 0.143 4.505 4.350 0.020 0.000 0.254 37 T C 0.949 175.739 174.700 0.149 0.000 1.060 37 T CA 0.727 62.961 62.100 0.223 0.000 1.135 37 T CB 0.047 69.053 68.868 0.230 0.000 0.896 37 T HN 0.656 nan 8.240 nan 0.000 0.472 38 R N 1.412 121.985 120.500 0.122 0.000 2.673 38 R HA 0.507 4.859 4.340 0.020 0.000 0.281 38 R C -1.524 174.699 176.300 -0.129 0.000 0.991 38 R CA -0.388 55.674 56.100 -0.064 0.000 0.896 38 R CB 1.712 31.854 30.300 -0.263 0.000 1.201 38 R HN 0.273 nan 8.270 nan 0.000 0.457 39 S N 2.419 118.034 115.700 -0.142 0.000 2.548 39 S HA 0.556 5.038 4.470 0.020 0.000 0.286 39 S C -1.499 173.055 174.600 -0.077 0.000 1.098 39 S CA -0.712 57.429 58.200 -0.098 0.000 0.930 39 S CB 1.807 64.978 63.200 -0.050 0.000 1.070 39 S HN 0.589 nan 8.310 nan 0.000 0.480 40 Y N 1.106 121.302 120.300 -0.173 0.000 2.524 40 Y HA 0.791 5.353 4.550 0.020 0.000 0.347 40 Y C -1.335 174.503 175.900 -0.103 0.000 1.005 40 Y CA -0.872 57.137 58.100 -0.152 0.000 1.025 40 Y CB 1.786 40.134 38.460 -0.187 0.000 1.275 40 Y HN 0.902 nan 8.280 nan 0.000 0.460 41 V N 3.511 122.728 119.914 -1.162 0.000 3.178 41 V HA 0.680 4.811 4.120 0.020 0.000 0.302 41 V C -0.373 175.130 176.094 -0.986 0.000 1.262 41 V CA -0.260 61.540 62.300 -0.833 0.000 1.030 41 V CB 1.530 33.121 31.823 -0.386 0.000 1.074 41 V HN 1.157 nan 8.190 nan 0.000 0.438 45 R N 0.574 121.073 120.500 -0.003 0.000 2.300 45 R HA 0.306 4.658 4.340 0.020 0.000 0.199 45 R C 2.067 178.376 176.300 0.015 0.000 0.920 45 R CA 1.326 57.433 56.100 0.012 0.000 1.046 45 R CB -1.171 29.134 30.300 0.008 0.000 0.984 45 R HN 0.667 nan 8.270 nan 0.000 0.493 46 S N 1.113 116.816 115.700 0.006 0.000 2.382 46 S HA -0.058 4.424 4.470 0.020 0.000 0.228 46 S C 1.064 175.673 174.600 0.015 0.000 1.027 46 S CA 0.636 58.839 58.200 0.005 0.000 0.991 46 S CB -0.165 63.033 63.200 -0.005 0.000 0.823 46 S HN 0.613 nan 8.310 nan 0.000 0.469 47 D N 0.454 120.873 120.400 0.032 0.000 2.525 47 D HA 0.275 4.927 4.640 0.020 0.000 0.235 47 D C -0.126 176.212 176.300 0.063 0.000 1.137 47 D CA 0.701 54.745 54.000 0.072 0.000 0.868 47 D CB 0.169 41.070 40.800 0.169 0.000 1.180 47 D HN 0.293 nan 8.370 nan 0.000 0.465 48 F N 0.257 120.218 119.950 0.018 0.000 2.399 48 F HA 0.513 5.052 4.527 0.020 0.000 0.342 48 F C 0.899 176.648 175.800 -0.084 0.000 1.106 48 F CA -0.807 57.176 58.000 -0.028 0.000 1.196 48 F CB 0.266 39.240 39.000 -0.043 0.000 1.163 48 F HN 0.485 nan 8.300 nan 0.000 0.547 49 E N 1.001 121.144 120.200 -0.094 0.000 2.155 49 E HA 0.722 5.084 4.350 0.020 0.000 0.264 49 E C 0.014 176.560 176.600 -0.091 0.000 0.886 49 E CA 0.130 56.435 56.400 -0.159 0.000 0.752 49 E CB 0.833 30.443 29.700 -0.150 0.000 1.133 49 E HN 2.398 nan 8.360 nan 0.000 0.414 50 L N 0.059 121.235 121.223 -0.078 0.000 2.806 50 L HA 0.886 5.238 4.340 0.020 0.000 0.242 50 L C 1.587 178.517 176.870 0.100 0.000 1.068 50 L CA 1.539 56.402 54.840 0.039 0.000 0.923 50 L CB -0.673 41.453 42.059 0.112 0.000 1.364 50 L HN 1.215 nan 8.230 nan 0.000 0.511 51 T N -1.955 112.660 114.554 0.102 0.000 2.971 51 T HA 0.658 5.020 4.350 0.020 0.000 0.304 51 T C 0.475 175.169 174.700 -0.009 0.000 1.038 51 T CA 0.062 62.253 62.100 0.151 0.000 1.007 51 T CB 1.467 70.572 68.868 0.394 0.000 1.055 51 T HN 1.400 nan 8.240 nan 0.000 0.451 52 G N -0.303 108.485 108.800 -0.019 0.000 4.406 52 G HA2 0.609 4.581 3.960 0.020 0.000 0.212 52 G HA3 0.609 4.581 3.960 0.020 0.000 0.212 52 G C -0.038 174.856 174.900 -0.010 0.000 0.941 52 G CA 0.743 45.794 45.100 -0.081 0.000 0.821 52 G HN 2.011 nan 8.290 nan 0.000 0.429 53 I N 0.511 121.098 120.570 0.028 0.000 2.731 53 I HA 0.843 5.025 4.170 0.020 0.000 0.289 53 I C -0.219 175.930 176.117 0.053 0.000 1.399 53 I CA -0.475 60.847 61.300 0.036 0.000 1.048 53 I CB 1.218 39.230 38.000 0.021 0.000 1.345 53 I HN 0.863 nan 8.210 nan 0.000 0.425 57 S N -0.722 115.009 115.700 0.052 0.000 2.521 57 S HA 0.685 5.167 4.470 0.020 0.000 0.295 57 S C 1.002 175.669 174.600 0.112 0.000 1.098 57 S CA 0.042 58.281 58.200 0.065 0.000 0.999 57 S CB 0.451 63.699 63.200 0.081 0.000 1.034 57 S HN 1.501 nan 8.310 nan 0.000 0.483 58 I N -1.033 119.550 120.570 0.021 0.000 2.480 58 I HA 0.400 4.582 4.170 0.020 0.000 0.251 58 I C 0.777 176.842 176.117 -0.085 0.000 1.124 58 I CA 0.592 61.877 61.300 -0.025 0.000 1.444 58 I CB -0.373 37.578 38.000 -0.081 0.000 1.098 58 I HN 0.554 nan 8.210 nan 0.000 0.428 59 K N 1.350 121.669 120.400 -0.135 0.000 2.477 59 K HA 0.779 5.111 4.320 0.020 0.000 0.255 59 K C -0.982 175.594 176.600 -0.040 0.000 0.952 59 K CA -0.660 55.526 56.287 -0.168 0.000 0.826 59 K CB 1.483 33.760 32.500 -0.371 0.000 1.331 59 K HN 0.375 nan 8.250 nan 0.000 0.437 60 E N 0.913 121.207 120.200 0.156 0.000 2.311 60 E HA 0.423 4.785 4.350 0.020 0.000 0.281 60 E C -1.423 175.329 176.600 0.254 0.000 0.905 60 E CA -0.569 56.000 56.400 0.282 0.000 0.778 60 E CB 1.839 31.682 29.700 0.239 0.000 1.240 60 E HN 0.559 nan 8.360 nan 0.000 0.410 61 I N 2.565 123.365 120.570 0.383 0.000 2.418 61 I HA 0.333 4.515 4.170 0.020 0.000 0.287 61 I C -1.003 175.367 176.117 0.422 0.000 1.008 61 I CA -0.721 60.731 61.300 0.253 0.000 1.104 61 I CB 1.064 39.116 38.000 0.086 0.000 1.264 61 I HN 0.345 nan 8.210 nan 0.000 0.438 62 W N 7.775 129.098 121.300 0.037 0.000 2.283 62 W HA 0.499 5.170 4.660 0.019 0.000 0.317 62 W C -0.573 175.960 176.519 0.024 0.000 1.042 62 W CA -0.947 56.381 57.345 -0.029 0.000 1.348 62 W CB 0.372 29.781 29.460 -0.085 0.000 1.216 62 W HN 0.187 nan 8.180 nan 0.000 0.404 63 L N 2.975 124.317 121.223 0.198 0.000 2.325 63 L HA 0.518 4.869 4.340 0.020 0.000 0.279 63 L C 0.153 177.157 176.870 0.224 0.000 1.054 63 L CA -0.799 54.179 54.840 0.229 0.000 0.804 63 L CB 1.455 43.607 42.059 0.154 0.000 1.200 63 L HN 0.253 nan 8.230 nan 0.000 0.436 64 E N 1.302 121.608 120.200 0.177 0.000 2.246 64 E HA 0.278 4.640 4.350 0.020 0.000 0.266 64 E C -1.364 174.996 176.600 -0.400 0.000 0.880 64 E CA -0.355 55.922 56.400 -0.205 0.000 0.762 64 E CB 2.078 31.388 29.700 -0.650 0.000 1.180 64 E HN 0.353 nan 8.360 nan 0.000 0.416 65 S N 5.269 120.555 115.700 -0.691 0.000 2.466 65 S HA 0.359 4.841 4.470 0.020 0.000 0.313 65 S C -0.736 173.629 174.600 -0.392 0.000 1.078 65 S CA -0.605 57.155 58.200 -0.733 0.000 1.115 65 S CB -0.467 61.964 63.200 -1.282 0.000 1.006 65 S HN 0.452 nan 8.310 nan 0.000 0.487 66 F N 4.440 124.289 119.950 -0.169 0.000 2.629 66 F HA 0.174 4.713 4.527 0.019 0.000 0.369 66 F C -1.231 174.508 175.800 -0.102 0.000 1.125 66 F CA -1.034 56.893 58.000 -0.123 0.000 1.330 66 F CB -0.276 38.640 39.000 -0.141 0.000 1.071 66 F HN 0.396 nan 8.300 nan 0.000 0.595 67 P HA 0.115 nan 4.420 nan 0.000 0.271 67 P C -0.800 176.529 177.300 0.048 0.000 1.233 67 P CA -0.320 62.812 63.100 0.054 0.000 0.789 67 P CB 0.467 32.196 31.700 0.049 0.000 0.951 68 L N 0.996 122.240 121.223 0.034 0.000 2.265 68 L HA 0.333 4.685 4.340 0.020 0.000 0.288 68 L C 0.483 177.356 176.870 0.005 0.000 1.058 68 L CA -0.153 54.698 54.840 0.018 0.000 0.809 68 L CB 0.723 42.796 42.059 0.024 0.000 1.179 68 L HN 0.446 nan 8.230 nan 0.000 0.429 69 S N 0.664 116.359 115.700 -0.008 0.000 2.726 69 S HA 0.378 4.860 4.470 0.020 0.000 0.308 69 S C -0.432 174.156 174.600 -0.019 0.000 1.115 69 S CA -1.077 57.112 58.200 -0.018 0.000 0.965 69 S CB 1.587 64.768 63.200 -0.031 0.000 1.145 69 S HN 0.630 nan 8.310 nan 0.000 0.532 70 E N 0.541 120.730 120.200 -0.018 0.000 1.775 70 E HA 0.335 4.697 4.350 0.020 0.000 0.266 70 E C -0.603 175.984 176.600 -0.021 0.000 1.191 70 E CA -0.641 55.750 56.400 -0.015 0.000 1.048 70 E CB -0.352 29.345 29.700 -0.006 0.000 1.081 70 E HN 0.291 nan 8.360 nan 0.000 0.434 71 V N 3.910 123.811 119.914 -0.022 0.000 2.726 71 V HA -0.125 4.007 4.120 0.020 0.000 0.304 71 V C 0.374 176.454 176.094 -0.023 0.000 1.115 71 V CA 0.368 62.652 62.300 -0.026 0.000 1.264 71 V CB 0.619 32.427 31.823 -0.025 0.000 0.867 71 V HN 0.575 nan 8.190 nan 0.000 0.498 72 V N 6.391 126.288 119.914 -0.027 0.000 2.432 72 V HA 0.165 4.297 4.120 0.020 0.000 0.275 72 V C 0.942 177.023 176.094 -0.021 0.000 1.043 72 V CA -0.293 61.993 62.300 -0.024 0.000 0.925 72 V CB 1.327 33.133 31.823 -0.029 0.000 0.985 72 V HN 1.019 nan 8.190 nan 0.000 0.466 73 E N 3.346 123.536 120.200 -0.017 0.000 2.013 73 E HA -0.110 4.252 4.350 0.020 0.000 0.202 73 E C 1.235 177.826 176.600 -0.015 0.000 1.018 73 E CA 1.778 58.169 56.400 -0.014 0.000 0.834 73 E CB -0.249 29.444 29.700 -0.011 0.000 0.770 73 E HN 0.887 nan 8.360 nan 0.000 0.459 78 R N 0.292 120.786 120.500 -0.010 0.000 2.743 78 R HA 0.538 4.890 4.340 0.020 0.000 0.167 78 R C 0.552 176.845 176.300 -0.012 0.000 0.873 78 R CA -0.198 55.895 56.100 -0.011 0.000 1.366 78 R CB 0.179 30.472 30.300 -0.012 0.000 0.940 78 R HN 0.471 nan 8.270 nan 0.000 0.545 79 E N 0.678 120.870 120.200 -0.014 0.000 2.191 79 E HA 0.210 4.572 4.350 0.020 0.000 0.274 79 E C -0.655 175.934 176.600 -0.018 0.000 0.948 79 E CA -0.563 55.828 56.400 -0.015 0.000 0.802 79 E CB 1.243 30.934 29.700 -0.014 0.000 1.137 79 E HN 0.242 nan 8.360 nan 0.000 0.397 80 L N 2.507 123.719 121.223 -0.019 0.000 2.559 80 L HA 0.111 4.463 4.340 0.020 0.000 0.274 80 L C 0.856 177.709 176.870 -0.029 0.000 1.205 80 L CA 0.582 55.409 54.840 -0.022 0.000 0.907 80 L CB -0.237 41.810 42.059 -0.019 0.000 1.153 80 L HN 0.481 nan 8.230 nan 0.000 0.490 81 R N 2.436 122.916 120.500 -0.034 0.000 2.807 81 R HA 0.784 5.135 4.340 0.020 0.000 0.276 81 R C -0.105 176.165 176.300 -0.050 0.000 0.979 81 R CA -0.365 55.708 56.100 -0.045 0.000 0.928 81 R CB 0.553 30.826 30.300 -0.046 0.000 1.191 81 R HN 0.593 nan 8.270 nan 0.000 0.471 82 K N 2.972 123.333 120.400 -0.066 0.000 2.469 82 K HA 0.387 4.719 4.320 0.020 0.000 0.274 82 K C -1.704 174.857 176.600 -0.066 0.000 0.983 82 K CA -0.308 55.936 56.287 -0.071 0.000 0.974 82 K CB -0.359 32.083 32.500 -0.098 0.000 0.913 82 K HN 0.772 nan 8.250 nan 0.000 0.493 83 P HA 0.436 nan 4.420 nan 0.000 0.333 83 P C -0.456 176.796 177.300 -0.081 0.000 1.315 83 P CA -0.439 62.624 63.100 -0.061 0.000 0.746 83 P CB 0.418 32.088 31.700 -0.051 0.000 1.575 84 L N -1.774 119.395 121.223 -0.092 0.000 2.426 84 L HA 0.326 4.678 4.340 0.020 0.000 0.260 84 L C 0.688 177.444 176.870 -0.189 0.000 1.233 84 L CA -0.418 54.346 54.840 -0.126 0.000 1.267 84 L CB -0.531 41.465 42.059 -0.104 0.000 1.814 84 L HN 0.220 nan 8.230 nan 0.000 0.561 85 Q N 0.686 120.309 119.800 -0.295 0.000 2.819 85 Q HA 0.274 4.625 4.340 0.020 0.000 0.392 85 Q C -0.141 175.675 176.000 -0.308 0.000 1.088 85 Q CA 0.092 55.563 55.803 -0.553 0.000 1.062 85 Q CB 0.519 28.495 28.738 -1.271 0.000 1.369 85 Q HN 0.566 nan 8.270 nan 0.000 0.434 86 E N -0.419 119.704 120.200 -0.128 0.000 2.601 86 E HA 0.067 4.428 4.350 0.020 0.000 0.219 86 E C 0.093 176.694 176.600 0.002 0.000 0.964 86 E CA -0.076 56.305 56.400 -0.032 0.000 1.050 86 E CB 0.792 30.471 29.700 -0.036 0.000 1.068 86 E HN 0.286 nan 8.360 nan 0.000 0.496 87 S N 0.545 116.241 115.700 -0.008 0.000 2.580 87 S HA -0.038 4.444 4.470 0.020 0.000 0.261 87 S C 1.892 176.538 174.600 0.076 0.000 1.366 87 S CA -0.141 58.074 58.200 0.025 0.000 0.996 87 S CB 0.860 64.069 63.200 0.014 0.000 0.902 87 S HN 0.063 nan 8.310 nan 0.000 0.566 88 V N -0.875 119.076 119.914 0.062 0.000 2.215 88 V HA -0.022 4.110 4.120 0.020 0.000 0.249 88 V C 1.908 178.059 176.094 0.094 0.000 1.054 88 V CA 1.863 64.203 62.300 0.066 0.000 1.012 88 V CB -1.846 30.004 31.823 0.045 0.000 0.639 88 V HN 1.053 nan 8.190 nan 0.000 0.448 89 G N -1.920 106.948 108.800 0.114 0.000 3.605 89 G HA2 0.183 4.155 3.960 0.020 0.000 0.277 89 G HA3 0.183 4.155 3.960 0.020 0.000 0.277 89 G C 0.030 175.037 174.900 0.179 0.000 1.093 89 G CA -0.298 44.885 45.100 0.140 0.000 0.821 89 G HN 0.556 nan 8.290 nan 0.000 0.532 90 Y N 1.915 122.257 120.300 0.069 0.000 2.537 90 Y HA 0.296 4.856 4.550 0.016 0.000 0.339 90 Y C 0.123 176.078 175.900 0.092 0.000 1.066 90 Y CA -0.251 57.892 58.100 0.072 0.000 1.357 90 Y CB 0.433 38.914 38.460 0.034 0.000 1.175 90 Y HN 0.170 nan 8.280 nan 0.000 0.525 91 E N 4.180 124.114 120.200 -0.443 0.000 2.145 91 E HA 0.176 4.537 4.350 0.020 0.000 0.262 91 E C -0.720 175.566 176.600 -0.524 0.000 0.883 91 E CA -0.627 55.596 56.400 -0.295 0.000 0.748 91 E CB 1.341 30.973 29.700 -0.112 0.000 1.140 91 E HN 0.492 nan 8.360 nan 0.000 0.417 92 S N 2.734 118.237 115.700 -0.328 0.000 2.533 92 S HA 0.035 4.516 4.470 0.020 0.000 0.282 92 S C -0.039 174.517 174.600 -0.073 0.000 1.304 92 S CA 0.124 58.239 58.200 -0.140 0.000 1.063 92 S CB 0.378 63.641 63.200 0.106 0.000 0.881 92 S HN 0.373 nan 8.310 nan 0.000 0.493 93 E N 1.793 121.972 120.200 -0.035 0.000 2.518 93 E HA 0.539 4.900 4.350 0.020 0.000 0.248 93 E C 1.211 177.826 176.600 0.026 0.000 1.028 93 E CA -0.563 55.834 56.400 -0.006 0.000 0.922 93 E CB 0.467 30.166 29.700 -0.001 0.000 1.299 93 E HN 0.608 nan 8.360 nan 0.000 0.457 94 A N 0.236 123.070 122.820 0.024 0.000 1.933 94 A HA -0.081 4.251 4.320 0.020 0.000 0.218 94 A C 1.465 179.073 177.584 0.040 0.000 1.175 94 A CA 1.312 53.367 52.037 0.030 0.000 0.628 94 A CB -0.353 18.660 19.000 0.022 0.000 0.814 94 A HN 0.441 nan 8.150 nan 0.000 0.444 95 L N -1.608 119.642 121.223 0.045 0.000 2.617 95 L HA 0.398 4.750 4.340 0.020 0.000 0.193 95 L C -0.198 176.719 176.870 0.079 0.000 1.655 95 L CA -0.588 54.286 54.840 0.056 0.000 3.079 95 L CB 0.017 42.107 42.059 0.052 0.000 2.896 95 L HN 0.263 nan 8.230 nan 0.000 0.876 96 L N -0.523 120.755 121.223 0.092 0.000 2.375 96 L HA 0.452 4.803 4.340 0.020 0.000 0.268 96 L C 0.637 177.578 176.870 0.118 0.000 1.058 96 L CA -0.278 54.648 54.840 0.144 0.000 0.803 96 L CB 0.980 43.127 42.059 0.146 0.000 1.212 96 L HN 0.384 nan 8.230 nan 0.000 0.451 97 G N -0.981 107.900 108.800 0.135 0.000 2.546 97 G HA2 0.229 4.200 3.960 0.020 0.000 0.239 97 G HA3 0.229 4.200 3.960 0.020 0.000 0.239 97 G C -1.420 173.410 174.900 -0.117 0.000 1.476 97 G CA 0.153 45.128 45.100 -0.209 0.000 1.064 97 G HN 0.474 nan 8.290 nan 0.000 0.561 101 Y N 0.475 120.773 120.300 -0.004 0.000 2.573 101 Y HA 0.630 5.192 4.550 0.020 0.000 0.346 101 Y C 0.940 176.894 175.900 0.089 0.000 1.198 101 Y CA 0.468 58.612 58.100 0.072 0.000 1.627 101 Y CB -0.882 37.708 38.460 0.217 0.000 1.457 101 Y HN 1.322 nan 8.280 nan 0.000 0.483 105 G N -1.015 107.753 108.800 -0.053 0.000 2.379 105 G HA2 0.898 4.869 3.960 0.020 0.000 0.327 105 G HA3 0.898 4.869 3.960 0.020 0.000 0.327 105 G C -0.424 174.434 174.900 -0.070 0.000 1.145 105 G CA 0.077 45.157 45.100 -0.034 0.000 0.905 105 G HN 1.768 nan 8.290 nan 0.000 0.466 106 V N 2.105 121.923 119.914 -0.160 0.000 2.443 106 V HA 0.614 4.745 4.120 0.020 0.000 0.293 106 V C -0.085 175.798 176.094 -0.352 0.000 1.021 106 V CA -0.964 61.116 62.300 -0.368 0.000 0.848 106 V CB 1.922 33.331 31.823 -0.690 0.000 0.998 106 V HN 0.564 nan 8.190 nan 0.000 0.424 107 V N 6.805 126.500 119.914 -0.365 0.000 2.427 107 V HA 0.392 4.523 4.120 0.020 0.000 0.268 107 V C 0.220 176.267 176.094 -0.078 0.000 1.046 107 V CA -0.025 62.051 62.300 -0.374 0.000 0.970 107 V CB 0.826 32.111 31.823 -0.897 0.000 1.001 107 V HN 0.689 nan 8.190 nan 0.000 0.476 108 I N 6.381 127.026 120.570 0.126 0.000 2.321 108 I HA 0.435 4.616 4.170 0.020 0.000 0.291 108 I C 0.121 176.515 176.117 0.461 0.000 0.998 108 I CA -0.462 61.000 61.300 0.270 0.000 1.227 108 I CB 0.871 38.991 38.000 0.200 0.000 1.368 108 I HN 0.474 nan 8.210 nan 0.000 0.466 109 K N 6.282 126.928 120.400 0.409 0.000 2.221 109 K HA 0.633 4.965 4.320 0.020 0.000 0.258 109 K C -1.210 175.523 176.600 0.222 0.000 0.944 109 K CA -0.906 55.570 56.287 0.315 0.000 0.823 109 K CB 2.752 35.386 32.500 0.224 0.000 1.113 109 K HN 0.324 nan 8.250 nan 0.000 0.431 110 L N 2.314 123.520 121.223 -0.029 0.000 2.342 110 L HA 0.433 4.785 4.340 0.020 0.000 0.276 110 L C -0.087 176.716 176.870 -0.111 0.000 0.997 110 L CA -0.011 54.694 54.840 -0.225 0.000 0.838 110 L CB 1.030 42.565 42.059 -0.874 0.000 1.224 110 L HN 0.746 nan 8.230 nan 0.000 0.416 111 R N 3.435 123.915 120.500 -0.034 0.000 2.649 111 R HA 0.526 4.878 4.340 0.020 0.000 0.270 111 R C -0.018 176.263 176.300 -0.032 0.000 1.105 111 R CA -0.006 56.087 56.100 -0.011 0.000 1.193 111 R CB -0.036 30.275 30.300 0.018 0.000 1.120 111 R HN 0.778 nan 8.270 nan 0.000 0.561 112 L N -0.038 121.175 121.223 -0.016 0.000 2.367 112 L HA 0.055 4.407 4.340 0.020 0.000 0.215 112 L C 2.059 178.920 176.870 -0.015 0.000 1.197 112 L CA 1.235 56.063 54.840 -0.019 0.000 0.836 112 L CB 0.504 42.559 42.059 -0.008 0.000 1.242 112 L HN 0.889 nan 8.230 nan 0.000 0.553 113 S N -0.466 115.227 115.700 -0.013 0.000 2.370 113 S HA -0.108 4.374 4.470 0.020 0.000 0.226 113 S C 0.493 175.093 174.600 -0.001 0.000 1.033 113 S CA 1.273 59.469 58.200 -0.008 0.000 1.011 113 S CB -0.708 62.487 63.200 -0.007 0.000 0.852 113 S HN 0.762 nan 8.310 nan 0.000 0.457 119 K N 0.753 121.164 120.400 0.019 0.000 2.580 119 K HA 0.593 4.925 4.320 0.020 0.000 0.258 119 K C -1.067 175.547 176.600 0.023 0.000 0.936 119 K CA -0.030 56.272 56.287 0.024 0.000 0.852 119 K CB 0.438 32.955 32.500 0.027 0.000 1.329 119 K HN 0.461 nan 8.250 nan 0.000 0.430 120 N N 0.956 119.672 118.700 0.027 0.000 2.424 120 N HA 0.155 4.906 4.740 0.020 0.000 0.257 120 N C -0.443 175.081 175.510 0.024 0.000 1.250 120 N CA -0.372 52.692 53.050 0.024 0.000 0.946 120 N CB 0.635 39.137 38.487 0.026 0.000 1.175 120 N HN 0.670 nan 8.380 nan 0.000 0.477 121 N N -0.272 118.440 118.700 0.019 0.000 2.513 121 N HA 0.116 4.868 4.740 0.020 0.000 0.274 121 N C -0.730 174.790 175.510 0.017 0.000 1.189 121 N CA -0.031 53.029 53.050 0.015 0.000 0.975 121 N CB 0.571 39.064 38.487 0.010 0.000 1.157 121 N HN 0.552 nan 8.380 nan 0.000 0.465 122 D N 1.382 121.789 120.400 0.013 0.000 2.417 122 D HA 0.249 4.901 4.640 0.020 0.000 0.250 122 D C 0.223 176.527 176.300 0.007 0.000 1.166 122 D CA 0.035 54.041 54.000 0.011 0.000 0.881 122 D CB 0.124 40.921 40.800 -0.005 0.000 1.164 122 D HN 0.324 nan 8.370 nan 0.000 0.467 123 L N 2.390 123.621 121.223 0.014 0.000 2.469 123 L HA 0.618 4.970 4.340 0.020 0.000 0.253 123 L C 0.554 177.427 176.870 0.006 0.000 1.143 123 L CA -0.121 54.725 54.840 0.010 0.000 0.804 123 L CB 1.269 43.337 42.059 0.015 0.000 1.214 123 L HN 0.491 nan 8.230 nan 0.000 0.476 124 P HA 0.208 nan 4.420 nan 0.000 0.239 124 P C 0.510 177.810 177.300 -0.001 0.000 1.188 124 P CA 0.680 63.779 63.100 -0.002 0.000 0.794 124 P CB -0.131 31.567 31.700 -0.003 0.000 0.937 125 G N -0.122 108.681 108.800 0.004 0.000 2.647 125 G HA2 0.364 4.336 3.960 0.020 0.000 0.234 125 G HA3 0.364 4.336 3.960 0.020 0.000 0.234 125 G C -0.202 174.705 174.900 0.011 0.000 1.252 125 G CA 0.095 45.199 45.100 0.006 0.000 0.846 125 G HN 0.537 nan 8.290 nan 0.000 0.589 126 E N -1.427 118.772 120.200 -0.001 0.000 2.429 126 E HA 0.494 4.856 4.350 0.020 0.000 0.276 126 E C -1.048 175.522 176.600 -0.049 0.000 0.953 126 E CA -0.864 55.531 56.400 -0.009 0.000 0.787 126 E CB 2.583 32.267 29.700 -0.028 0.000 1.307 126 E HN 0.345 nan 8.360 nan 0.000 0.458 127 V N 0.485 120.332 119.914 -0.113 0.000 2.628 127 V HA 0.517 4.648 4.120 0.020 0.000 0.306 127 V C -0.425 175.313 176.094 -0.592 0.000 1.045 127 V CA -0.812 61.311 62.300 -0.295 0.000 0.905 127 V CB 1.698 33.368 31.823 -0.256 0.000 0.997 127 V HN 0.676 nan 8.190 nan 0.000 0.436 128 T N 4.680 118.934 114.554 -0.500 0.000 2.772 128 T HA 0.693 5.055 4.350 0.020 0.000 0.288 128 T C -0.690 173.801 174.700 -0.348 0.000 0.994 128 T CA -0.088 61.760 62.100 -0.420 0.000 0.951 128 T CB 0.414 69.164 68.868 -0.197 0.000 0.933 128 T HN 0.324 nan 8.240 nan 0.000 0.447 129 F N 2.145 122.142 119.950 0.079 0.000 2.432 129 F HA 0.641 5.180 4.527 0.020 0.000 0.329 129 F C 0.046 175.915 175.800 0.116 0.000 1.076 129 F CA -2.202 55.861 58.000 0.104 0.000 1.018 129 F CB 0.656 39.729 39.000 0.123 0.000 1.201 129 F HN 0.514 nan 8.300 nan 0.000 0.489 130 F N 1.265 121.339 119.950 0.207 0.000 2.394 130 F HA 0.589 5.127 4.527 0.019 0.000 0.340 130 F C -0.198 175.671 175.800 0.114 0.000 1.105 130 F CA -0.327 57.746 58.000 0.122 0.000 1.124 130 F CB 1.135 40.196 39.000 0.102 0.000 1.145 130 F HN 0.410 nan 8.300 nan 0.000 0.505 131 T N 4.757 118.935 114.554 -0.628 0.000 2.928 131 T HA 0.611 4.973 4.350 0.020 0.000 0.296 131 T C 0.065 174.420 174.700 -0.575 0.000 1.000 131 T CA -0.078 61.626 62.100 -0.661 0.000 0.989 131 T CB 1.148 69.877 68.868 -0.233 0.000 1.005 131 T HN 0.883 nan 8.240 nan 0.000 0.442 132 A N 3.057 125.539 122.820 -0.564 0.000 2.337 132 A HA 0.454 4.786 4.320 0.020 0.000 0.227 132 A C 0.883 178.425 177.584 -0.071 0.000 1.259 132 A CA -0.136 51.804 52.037 -0.161 0.000 0.870 132 A CB 0.050 19.019 19.000 -0.052 0.000 0.927 132 A HN 0.651 nan 8.150 nan 0.000 0.497 133 S N -0.051 115.597 115.700 -0.086 0.000 2.694 133 S HA 0.174 4.656 4.470 0.020 0.000 0.232 133 S C 0.959 175.571 174.600 0.019 0.000 1.017 133 S CA -0.036 58.149 58.200 -0.025 0.000 1.139 133 S CB -0.443 62.738 63.200 -0.032 0.000 1.247 133 S HN 0.580 nan 8.310 nan 0.000 0.452 134 I N 0.506 121.097 120.570 0.035 0.000 2.181 134 I HA -0.286 3.896 4.170 0.020 0.000 0.247 134 I C 1.444 177.696 176.117 0.226 0.000 1.081 134 I CA 1.939 63.301 61.300 0.102 0.000 1.340 134 I CB -0.662 37.381 38.000 0.072 0.000 1.036 134 I HN 0.172 nan 8.210 nan 0.000 0.417 135 D N 0.657 121.143 120.400 0.142 0.000 2.162 135 D HA -0.080 4.572 4.640 0.020 0.000 0.203 135 D C 2.013 178.362 176.300 0.082 0.000 0.967 135 D CA 0.887 54.957 54.000 0.118 0.000 0.840 135 D CB -0.396 40.447 40.800 0.072 0.000 0.972 135 D HN 0.390 nan 8.370 nan 0.000 0.482 136 K N -0.199 120.238 120.400 0.062 0.000 2.097 136 K HA -0.057 4.275 4.320 0.020 0.000 0.206 136 K C 1.871 178.499 176.600 0.046 0.000 1.049 136 K CA 0.489 56.798 56.287 0.036 0.000 0.933 136 K CB -0.136 32.374 32.500 0.016 0.000 0.717 136 K HN 0.095 nan 8.250 nan 0.000 0.442 137 L N 1.633 122.914 121.223 0.096 0.000 2.072 137 L HA -0.120 4.232 4.340 0.020 0.000 0.205 137 L C 2.132 179.086 176.870 0.141 0.000 1.079 137 L CA 1.754 56.676 54.840 0.136 0.000 0.752 137 L CB -0.303 41.883 42.059 0.211 0.000 0.906 137 L HN -0.039 nan 8.230 nan 0.000 0.436 138 K N -0.672 119.823 120.400 0.159 0.000 2.063 138 K HA -0.191 4.140 4.320 0.020 0.000 0.208 138 K C 2.006 178.547 176.600 -0.098 0.000 1.048 138 K CA 1.467 57.683 56.287 -0.117 0.000 0.928 138 K CB -0.262 32.186 32.500 -0.087 0.000 0.713 138 K HN 0.482 nan 8.250 nan 0.000 0.442 139 A N 1.081 123.883 122.820 -0.030 0.000 1.933 139 A HA -0.169 4.163 4.320 0.020 0.000 0.218 139 A C 1.869 179.431 177.584 -0.036 0.000 1.175 139 A CA 1.541 53.559 52.037 -0.032 0.000 0.628 139 A CB -0.272 18.720 19.000 -0.013 0.000 0.814 139 A HN 0.260 nan 8.150 nan 0.000 0.444 140 K N -0.610 119.772 120.400 -0.030 0.000 2.103 140 K HA 0.052 4.383 4.320 0.020 0.000 0.204 140 K C 1.823 178.388 176.600 -0.057 0.000 1.052 140 K CA 1.052 57.313 56.287 -0.044 0.000 0.945 140 K CB -0.285 32.185 32.500 -0.049 0.000 0.722 140 K HN 0.448 nan 8.250 nan 0.000 0.443 141 L N 0.814 122.005 121.223 -0.053 0.000 2.056 141 L HA -0.148 4.204 4.340 0.020 0.000 0.207 141 L C 2.406 179.246 176.870 -0.050 0.000 1.078 141 L CA 0.951 55.762 54.840 -0.048 0.000 0.749 141 L CB -0.249 41.781 42.059 -0.050 0.000 0.901 141 L HN 0.194 nan 8.230 nan 0.000 0.433 142 I N -0.482 120.045 120.570 -0.072 0.000 2.394 142 I HA -0.264 3.918 4.170 0.020 0.000 0.251 142 I C 2.474 178.569 176.117 -0.038 0.000 1.136 142 I CA 1.269 62.533 61.300 -0.059 0.000 1.425 142 I CB 0.010 37.969 38.000 -0.068 0.000 1.079 142 I HN 0.335 nan 8.210 nan 0.000 0.425 143 E N 0.628 120.805 120.200 -0.038 0.000 2.347 143 E HA -0.169 4.193 4.350 0.020 0.000 0.196 143 E C 1.621 178.205 176.600 -0.027 0.000 1.008 143 E CA 1.310 57.691 56.400 -0.031 0.000 0.852 143 E CB 0.237 29.917 29.700 -0.034 0.000 0.783 143 E HN 0.620 nan 8.360 nan 0.000 0.505 144 I N -0.940 119.615 120.570 -0.025 0.000 4.716 144 I HA 0.375 4.557 4.170 0.020 0.000 0.240 144 I C 1.669 177.802 176.117 0.027 0.000 1.006 144 I CA 0.697 61.993 61.300 -0.006 0.000 1.875 144 I CB -0.916 37.062 38.000 -0.036 0.000 1.537 144 I HN 0.101 nan 8.210 nan 0.000 0.461 145 G N -0.188 108.652 108.800 0.066 0.000 3.227 145 G HA2 0.700 4.672 3.960 0.020 0.000 0.171 145 G HA3 0.700 4.672 3.960 0.020 0.000 0.171 145 G C 0.313 175.235 174.900 0.036 0.000 1.463 145 G CA 0.419 45.568 45.100 0.082 0.000 1.016 145 G HN 1.650 nan 8.290 nan 0.000 0.594 146 A N -1.926 120.918 122.820 0.041 0.000 2.337 146 A HA 0.762 5.094 4.320 0.020 0.000 0.331 146 A C -0.279 177.302 177.584 -0.005 0.000 1.137 146 A CA 0.338 52.378 52.037 0.005 0.000 0.807 146 A CB 1.208 20.207 19.000 -0.001 0.000 1.250 146 A HN 1.313 nan 8.150 nan 0.000 0.468 147 E N 1.809 121.979 120.200 -0.051 0.000 2.346 147 E HA 0.553 4.915 4.350 0.020 0.000 0.239 147 E C -0.645 175.930 176.600 -0.042 0.000 0.943 147 E CA -0.540 55.795 56.400 -0.108 0.000 0.751 147 E CB 0.259 29.797 29.700 -0.270 0.000 1.241 147 E HN 0.621 nan 8.360 nan 0.000 0.423 148 I N 2.109 122.700 120.570 0.035 0.000 2.692 148 I HA 0.133 4.315 4.170 0.020 0.000 0.284 148 I C 0.626 176.800 176.117 0.095 0.000 1.159 148 I CA -0.464 60.872 61.300 0.060 0.000 1.423 148 I CB 0.816 38.860 38.000 0.073 0.000 1.380 148 I HN 0.472 nan 8.210 nan 0.000 0.580 149 I N 6.498 127.111 120.570 0.073 0.000 2.638 149 I HA 0.261 4.442 4.170 0.020 0.000 0.286 149 I C -1.779 174.398 176.117 0.099 0.000 1.088 149 I CA -2.023 59.328 61.300 0.085 0.000 1.397 149 I CB -0.426 37.606 38.000 0.052 0.000 1.414 149 I HN 0.396 nan 8.210 nan 0.000 0.566 150 P HA 0.544 nan 4.420 nan 0.000 0.283 150 P C -0.929 176.408 177.300 0.061 0.000 1.271 150 P CA -0.433 62.722 63.100 0.092 0.000 0.841 150 P CB 1.467 33.231 31.700 0.107 0.000 1.122 151 S N -1.168 114.559 115.700 0.046 0.000 2.540 151 S HA 0.727 5.208 4.470 0.020 0.000 0.275 151 S C -0.086 174.530 174.600 0.026 0.000 1.123 151 S CA 0.177 58.397 58.200 0.033 0.000 0.907 151 S CB 1.027 64.242 63.200 0.024 0.000 1.081 151 S HN 0.783 nan 8.310 nan 0.000 0.476 156 V N 0.861 120.782 119.914 0.012 0.000 2.539 156 V HA 0.331 4.462 4.120 0.020 0.000 0.300 156 V C 1.412 177.520 176.094 0.022 0.000 1.019 156 V CA 1.220 63.518 62.300 -0.004 0.000 1.160 156 V CB 0.199 32.014 31.823 -0.014 0.000 0.901 156 V HN 0.533 nan 8.190 nan 0.000 0.481 157 E N 4.341 124.519 120.200 -0.037 0.000 2.076 157 E HA 0.169 4.531 4.350 0.020 0.000 0.190 157 E C 0.251 176.892 176.600 0.069 0.000 0.979 157 E CA 1.579 57.961 56.400 -0.031 0.000 0.807 157 E CB 0.177 29.782 29.700 -0.159 0.000 0.761 157 E HN 0.974 nan 8.360 nan 0.000 0.454 158 F N -3.011 116.981 119.950 0.070 0.000 3.250 158 F HA 0.645 5.184 4.527 0.020 0.000 0.326 158 F C -0.660 175.175 175.800 0.058 0.000 1.154 158 F CA -1.308 56.726 58.000 0.058 0.000 0.870 158 F CB 0.975 40.009 39.000 0.056 0.000 1.476 158 F HN -0.314 nan 8.300 nan 0.000 0.491 159 S N -0.892 115.084 115.700 0.460 0.000 2.638 159 S HA 0.808 5.290 4.470 0.020 0.000 0.274 159 S C -1.278 173.503 174.600 0.302 0.000 1.157 159 S CA 0.038 58.416 58.200 0.296 0.000 0.826 159 S CB 2.072 65.362 63.200 0.149 0.000 1.139 159 S HN 1.129 nan 8.310 nan 0.000 0.474 160 T N 0.044 114.740 114.554 0.236 0.000 2.754 160 T HA 0.885 5.247 4.350 0.020 0.000 0.296 160 T C -1.125 173.646 174.700 0.119 0.000 1.205 160 T CA 0.027 62.243 62.100 0.195 0.000 1.009 160 T CB 1.510 70.546 68.868 0.281 0.000 1.368 160 T HN 1.136 nan 8.240 nan 0.000 0.509 161 R N 1.034 121.560 120.500 0.044 0.000 2.734 161 R HA 0.827 5.179 4.340 0.020 0.000 0.271 161 R C -1.398 174.694 176.300 -0.347 0.000 1.021 161 R CA -0.441 55.597 56.100 -0.102 0.000 0.893 161 R CB 0.982 31.232 30.300 -0.083 0.000 1.244 161 R HN 0.858 nan 8.270 nan 0.000 0.464 162 D N -1.464 118.664 120.400 -0.453 0.000 3.455 162 D HA 0.483 5.135 4.640 0.020 0.000 0.320 162 D C -1.635 174.474 176.300 -0.318 0.000 1.401 162 D CA 0.095 53.749 54.000 -0.576 0.000 0.982 162 D CB 1.488 41.674 40.800 -1.025 0.000 1.397 162 D HN 0.274 nan 8.370 nan 0.000 0.607 163 P HA -0.026 nan 4.420 nan 0.000 0.223 163 P C 0.224 177.405 177.300 -0.199 0.000 1.144 163 P CA 0.883 63.885 63.100 -0.164 0.000 0.783 163 P CB 0.286 31.924 31.700 -0.103 0.000 0.771 164 M N 0.300 119.723 119.600 -0.294 0.000 2.227 164 M HA 0.407 4.899 4.480 0.020 0.000 0.335 164 M C 0.405 176.562 176.300 -0.238 0.000 1.053 164 M CA -0.924 54.149 55.300 -0.378 0.000 0.973 164 M CB 1.569 33.680 32.600 -0.815 0.000 1.623 164 M HN -0.208 nan 8.290 nan 0.000 0.434 165 G N 3.176 111.886 108.800 -0.149 0.000 2.325 165 G HA2 0.535 4.507 3.960 0.020 0.000 0.298 165 G HA3 0.535 4.507 3.960 0.020 0.000 0.298 165 G C -0.783 174.124 174.900 0.012 0.000 1.134 165 G CA -0.295 44.775 45.100 -0.051 0.000 0.876 165 G HN 0.627 nan 8.290 nan 0.000 0.452 166 D N 0.586 121.042 120.400 0.093 0.000 2.671 166 D HA 0.453 5.104 4.640 0.020 0.000 0.232 166 D C -0.084 176.269 176.300 0.090 0.000 1.114 166 D CA -0.145 53.929 54.000 0.123 0.000 0.858 166 D CB 2.693 43.702 40.800 0.348 0.000 1.544 166 D HN 0.262 nan 8.370 nan 0.000 0.471 167 V N 0.210 120.099 119.914 -0.042 0.000 2.975 167 V HA 0.693 4.825 4.120 0.020 0.000 0.318 167 V C 0.125 176.168 176.094 -0.084 0.000 1.077 167 V CA -0.781 61.492 62.300 -0.045 0.000 1.000 167 V CB 1.716 33.496 31.823 -0.073 0.000 1.066 167 V HN 0.418 nan 8.190 nan 0.000 0.452 168 I N 1.569 122.079 120.570 -0.100 0.000 2.656 168 I HA 0.691 4.873 4.170 0.020 0.000 0.292 168 I C 0.043 176.053 176.117 -0.178 0.000 1.144 168 I CA 0.365 61.581 61.300 -0.139 0.000 1.038 168 I CB 2.322 40.166 38.000 -0.260 0.000 1.244 168 I HN 1.059 nan 8.210 nan 0.000 0.420 169 S N 4.427 120.098 115.700 -0.048 0.000 3.407 169 S HA 0.614 5.096 4.470 0.020 0.000 0.315 169 S C -1.182 173.582 174.600 0.272 0.000 1.211 169 S CA -0.764 57.471 58.200 0.060 0.000 1.148 169 S CB 0.791 63.988 63.200 -0.006 0.000 1.511 169 S HN 0.456 nan 8.310 nan 0.000 0.604 170 F N 1.977 122.044 119.950 0.194 0.000 2.522 170 F HA 0.880 5.419 4.527 0.019 0.000 0.324 170 F C 0.436 176.333 175.800 0.162 0.000 1.077 170 F CA -0.444 57.770 58.000 0.356 0.000 0.944 170 F CB 1.336 40.464 39.000 0.213 0.000 1.175 170 F HN 0.843 nan 8.300 nan 0.000 0.468 171 S N 0.660 116.290 115.700 -0.117 0.000 2.650 171 S HA 0.005 4.486 4.470 0.020 0.000 0.251 171 S C 1.334 175.813 174.600 -0.202 0.000 1.325 171 S CA 0.112 58.153 58.200 -0.265 0.000 0.967 171 S CB 0.311 63.192 63.200 -0.531 0.000 1.000 171 S HN 0.901 nan 8.310 nan 0.000 0.584 172 S N -1.045 114.582 115.700 -0.122 0.000 2.474 172 S HA 0.043 4.525 4.470 0.020 0.000 0.235 172 S C 0.176 174.731 174.600 -0.075 0.000 0.997 172 S CA 0.345 58.472 58.200 -0.122 0.000 0.949 172 S CB -0.795 62.322 63.200 -0.139 0.000 0.766 172 S HN 0.533 nan 8.310 nan 0.000 0.517 173 Y N 1.378 121.651 120.300 -0.045 0.000 2.258 173 Y HA 0.220 4.782 4.550 0.019 0.000 0.345 173 Y C -0.883 175.100 175.900 0.139 0.000 1.303 173 Y CA -1.522 56.585 58.100 0.013 0.000 1.537 173 Y CB -0.018 38.411 38.460 -0.052 0.000 1.383 173 Y HN 0.081 nan 8.280 nan 0.000 0.606 174 P HA -0.043 nan 4.420 nan 0.000 0.216 174 P C -0.609 176.714 177.300 0.038 0.000 1.153 174 P CA 1.200 64.408 63.100 0.181 0.000 0.844 174 P CB 0.255 32.014 31.700 0.099 0.000 0.787 175 S N -2.637 113.093 115.700 0.051 0.000 2.661 175 S HA 0.759 5.241 4.470 0.020 0.000 0.285 175 S C -0.389 174.273 174.600 0.104 0.000 1.138 175 S CA -0.841 57.330 58.200 -0.050 0.000 0.855 175 S CB 0.893 64.054 63.200 -0.065 0.000 1.136 175 S HN 0.092 nan 8.310 nan 0.000 0.484 179 K N 1.265 121.680 120.400 0.025 0.000 2.046 179 K HA 0.476 4.808 4.320 0.020 0.000 0.248 179 K C 1.162 177.767 176.600 0.009 0.000 1.123 179 K CA 0.715 57.009 56.287 0.013 0.000 1.145 179 K CB -1.278 31.227 32.500 0.008 0.000 1.028 179 K HN 0.750 nan 8.250 nan 0.000 0.354 180 K N 1.116 121.520 120.400 0.007 0.000 2.076 180 K HA 0.350 4.682 4.320 0.020 0.000 0.204 180 K C 1.599 178.197 176.600 -0.004 0.000 1.051 180 K CA 1.431 57.719 56.287 0.002 0.000 0.949 180 K CB -0.848 31.651 32.500 -0.003 0.000 0.726 180 K HN 1.425 nan 8.250 nan 0.000 0.443 181 I N 2.897 123.465 120.570 -0.003 0.000 2.347 181 I HA 0.650 4.832 4.170 0.020 0.000 0.294 181 I C 0.801 176.918 176.117 0.001 0.000 1.090 181 I CA -0.063 61.235 61.300 -0.002 0.000 1.314 181 I CB -0.810 37.188 38.000 -0.003 0.000 1.423 181 I HN 0.673 nan 8.210 nan 0.000 0.503 182 T N 3.717 118.273 114.554 0.003 0.000 2.899 182 T HA 0.749 5.111 4.350 0.020 0.000 0.284 182 T C 0.787 175.494 174.700 0.011 0.000 1.004 182 T CA 0.021 62.125 62.100 0.006 0.000 1.043 182 T CB 0.196 69.068 68.868 0.007 0.000 1.013 182 T HN 1.862 nan 8.240 nan 0.000 0.518 183 S N 3.119 118.827 115.700 0.013 0.000 2.430 183 S HA 0.548 5.030 4.470 0.020 0.000 0.282 183 S C -1.872 172.740 174.600 0.021 0.000 1.186 183 S CA -1.258 56.951 58.200 0.015 0.000 1.060 183 S CB -0.798 62.410 63.200 0.015 0.000 0.966 183 S HN 0.600 nan 8.310 nan 0.000 0.501 184 P HA 0.302 nan 4.420 nan 0.000 0.271 184 P C -0.597 176.717 177.300 0.024 0.000 1.216 184 P CA -0.394 62.721 63.100 0.024 0.000 0.771 184 P CB 0.476 32.189 31.700 0.021 0.000 0.864 185 D N 0.306 120.723 120.400 0.028 0.000 2.362 185 D HA 0.313 4.965 4.640 0.020 0.000 0.238 185 D C 0.296 176.610 176.300 0.023 0.000 1.212 185 D CA 0.509 54.525 54.000 0.027 0.000 0.902 185 D CB 0.192 41.011 40.800 0.031 0.000 1.180 185 D HN 0.258 nan 8.370 nan 0.000 0.445 209 G N 2.454 111.275 108.800 0.035 0.000 2.404 209 G HA2 -0.157 3.815 3.960 0.020 0.000 0.215 209 G HA3 -0.157 3.815 3.960 0.020 0.000 0.215 209 G C 0.465 175.383 174.900 0.029 0.000 1.174 209 G CA 0.638 45.753 45.100 0.025 0.000 0.780 209 G HN 0.217 nan 8.290 nan 0.000 0.537 210 K N -0.279 120.147 120.400 0.043 0.000 2.155 210 K HA 0.415 4.747 4.320 0.020 0.000 0.237 210 K C -0.187 176.450 176.600 0.061 0.000 1.040 210 K CA -0.483 55.833 56.287 0.049 0.000 0.912 210 K CB 0.700 33.235 32.500 0.058 0.000 1.137 210 K HN -0.070 nan 8.250 nan 0.000 0.498 211 K N 1.427 121.866 120.400 0.064 0.000 2.211 211 K HA 0.120 4.452 4.320 0.020 0.000 0.275 211 K C -0.949 175.713 176.600 0.103 0.000 1.024 211 K CA -0.233 56.094 56.287 0.067 0.000 0.887 211 K CB 0.756 33.284 32.500 0.047 0.000 1.084 211 K HN 0.253 nan 8.250 nan 0.000 0.463 212 K N 5.088 125.552 120.400 0.107 0.000 2.266 212 K HA 0.282 4.613 4.320 0.020 0.000 0.274 212 K C -0.524 176.146 176.600 0.116 0.000 1.090 212 K CA -0.223 56.155 56.287 0.153 0.000 0.925 212 K CB 0.613 33.143 32.500 0.049 0.000 1.225 212 K HN 0.437 nan 8.250 nan 0.000 0.458 213 I N 2.605 123.256 120.570 0.136 0.000 2.331 213 I HA 0.223 4.405 4.170 0.020 0.000 0.292 213 I C 0.201 176.374 176.117 0.092 0.000 0.998 213 I CA -0.553 60.795 61.300 0.079 0.000 1.267 213 I CB 1.526 39.557 38.000 0.051 0.000 1.386 213 I HN 0.534 nan 8.210 nan 0.000 0.476 214 A N 7.191 130.039 122.820 0.047 0.000 2.301 214 A HA 0.708 5.039 4.320 0.020 0.000 0.312 214 A C -0.760 176.805 177.584 -0.031 0.000 1.182 214 A CA -0.423 51.632 52.037 0.029 0.000 0.826 214 A CB 0.880 19.889 19.000 0.015 0.000 1.134 214 A HN 0.657 nan 8.150 nan 0.000 0.501 215 I N 3.278 123.806 120.570 -0.069 0.000 2.406 215 I HA 0.653 4.835 4.170 0.020 0.000 0.290 215 I C -0.683 175.328 176.117 -0.177 0.000 0.999 215 I CA -0.892 60.338 61.300 -0.117 0.000 1.124 215 I CB 1.272 39.204 38.000 -0.114 0.000 1.289 215 I HN 0.601 nan 8.210 nan 0.000 0.441 216 I N 4.488 124.933 120.570 -0.207 0.000 2.498 216 I HA 0.703 4.885 4.170 0.020 0.000 0.290 216 I C -0.676 175.279 176.117 -0.269 0.000 1.032 216 I CA -0.241 60.890 61.300 -0.282 0.000 1.073 216 I CB 2.270 40.027 38.000 -0.406 0.000 1.251 216 I HN 0.649 nan 8.210 nan 0.000 0.426 217 T N 2.123 116.529 114.554 -0.246 0.000 2.821 217 T HA 0.603 4.965 4.350 0.020 0.000 0.307 217 T C -0.199 174.374 174.700 -0.212 0.000 1.034 217 T CA -0.568 61.415 62.100 -0.196 0.000 0.953 217 T CB 0.891 69.675 68.868 -0.140 0.000 0.968 217 T HN 0.734 nan 8.240 nan 0.000 0.462 218 S N 2.557 118.118 115.700 -0.232 0.000 2.607 218 S HA 0.908 5.390 4.470 0.020 0.000 0.303 218 S C 0.609 175.152 174.600 -0.095 0.000 1.086 218 S CA 0.646 58.717 58.200 -0.215 0.000 0.995 218 S CB 0.811 63.774 63.200 -0.394 0.000 1.084 218 S HN 1.986 nan 8.310 nan 0.000 0.507 219 G N 1.205 109.983 108.800 -0.038 0.000 2.660 219 G HA2 0.124 4.096 3.960 0.020 0.000 0.215 219 G HA3 0.124 4.096 3.960 0.020 0.000 0.215 219 G C 0.232 175.139 174.900 0.011 0.000 1.345 219 G CA -0.343 44.760 45.100 0.005 0.000 0.877 219 G HN 1.403 nan 8.290 nan 0.000 0.549 220 G N -0.483 108.334 108.800 0.030 0.000 2.544 220 G HA2 0.473 4.445 3.960 0.020 0.000 0.242 220 G HA3 0.473 4.445 3.960 0.020 0.000 0.242 220 G C -0.022 174.892 174.900 0.023 0.000 1.247 220 G CA 0.683 45.809 45.100 0.043 0.000 0.840 220 G HN 0.815 nan 8.290 nan 0.000 0.578 221 D N -0.160 120.261 120.400 0.035 0.000 2.449 221 D HA 0.430 5.082 4.640 0.020 0.000 0.236 221 D C 0.386 176.673 176.300 -0.021 0.000 1.149 221 D CA 1.411 55.415 54.000 0.007 0.000 0.878 221 D CB 0.935 41.744 40.800 0.016 0.000 1.198 221 D HN 0.607 nan 8.370 nan 0.000 0.446 222 A N 2.451 125.256 122.820 -0.025 0.000 2.466 222 A HA 0.506 4.838 4.320 0.020 0.000 0.284 222 A C -2.762 174.809 177.584 -0.021 0.000 1.049 222 A CA -1.468 50.555 52.037 -0.022 0.000 0.760 222 A CB 1.299 20.286 19.000 -0.022 0.000 1.274 222 A HN 0.279 nan 8.150 nan 0.000 0.412 223 P HA 0.401 nan 4.420 nan 0.000 0.265 223 P C 1.050 178.345 177.300 -0.007 0.000 1.222 223 P CA 1.569 64.666 63.100 -0.006 0.000 0.767 223 P CB 0.866 32.572 31.700 0.010 0.000 0.801 224 G N 2.763 111.546 108.800 -0.028 0.000 2.485 224 G HA2 -0.224 3.748 3.960 0.020 0.000 0.181 224 G HA3 -0.224 3.748 3.960 0.020 0.000 0.181 224 G C 1.046 175.904 174.900 -0.070 0.000 0.999 224 G CA 0.056 45.126 45.100 -0.050 0.000 0.721 224 G HN 0.389 nan 8.290 nan 0.000 0.486 225 M N 0.563 120.126 119.600 -0.062 0.000 2.108 225 M HA -0.072 4.420 4.480 0.020 0.000 0.261 225 M C 2.400 178.651 176.300 -0.083 0.000 1.066 225 M CA 1.822 57.077 55.300 -0.074 0.000 1.107 225 M CB -0.372 32.189 32.600 -0.065 0.000 1.356 225 M HN 0.255 nan 8.290 nan 0.000 0.406 226 N N 0.584 119.241 118.700 -0.071 0.000 2.120 226 N HA -0.083 4.669 4.740 0.020 0.000 0.188 226 N C 1.692 177.144 175.510 -0.095 0.000 1.024 226 N CA 1.711 54.715 53.050 -0.077 0.000 0.852 226 N CB -0.384 38.067 38.487 -0.060 0.000 1.003 226 N HN 0.334 nan 8.380 nan 0.000 0.424 227 A N 0.894 123.657 122.820 -0.094 0.000 1.940 227 A HA -0.041 4.291 4.320 0.020 0.000 0.219 227 A C 2.356 179.861 177.584 -0.131 0.000 1.176 227 A CA 2.032 54.002 52.037 -0.113 0.000 0.631 227 A CB -0.802 18.134 19.000 -0.105 0.000 0.814 227 A HN 0.336 nan 8.150 nan 0.000 0.446 228 A N -0.638 122.107 122.820 -0.125 0.000 1.877 228 A HA 0.007 4.339 4.320 0.020 0.000 0.216 228 A C 2.232 179.740 177.584 -0.126 0.000 1.186 228 A CA 1.758 53.717 52.037 -0.130 0.000 0.620 228 A CB -0.959 17.968 19.000 -0.121 0.000 0.822 228 A HN 0.398 nan 8.150 nan 0.000 0.443 229 V N 0.244 120.085 119.914 -0.122 0.000 2.343 229 V HA -0.262 3.870 4.120 0.020 0.000 0.247 229 V C 2.679 178.692 176.094 -0.135 0.000 1.051 229 V CA 2.306 64.531 62.300 -0.125 0.000 1.036 229 V CB -0.822 30.927 31.823 -0.124 0.000 0.654 229 V HN 0.681 nan 8.190 nan 0.000 0.451 230 R N 0.237 120.648 120.500 -0.148 0.000 2.081 230 R HA -0.150 4.202 4.340 0.020 0.000 0.235 230 R C 2.252 178.432 176.300 -0.201 0.000 1.131 230 R CA 1.702 57.689 56.100 -0.188 0.000 0.960 230 R CB -0.381 29.803 30.300 -0.193 0.000 0.856 230 R HN 0.479 nan 8.270 nan 0.000 0.436 231 A N 0.299 123.018 122.820 -0.169 0.000 1.898 231 A HA -0.055 4.277 4.320 0.020 0.000 0.216 231 A C 2.253 179.772 177.584 -0.108 0.000 1.181 231 A CA 1.344 53.291 52.037 -0.152 0.000 0.620 231 A CB -0.415 18.495 19.000 -0.150 0.000 0.819 231 A HN 0.215 nan 8.150 nan 0.000 0.442 232 V N -0.100 119.755 119.914 -0.098 0.000 2.261 232 V HA -0.233 3.899 4.120 0.020 0.000 0.246 232 V C 2.746 178.814 176.094 -0.044 0.000 1.047 232 V CA 2.507 64.769 62.300 -0.063 0.000 1.015 232 V CB -1.428 30.352 31.823 -0.072 0.000 0.642 232 V HN 0.601 nan 8.190 nan 0.000 0.446 233 T N -0.057 114.450 114.554 -0.078 0.000 2.595 233 T HA -0.265 4.097 4.350 0.020 0.000 0.264 233 T C 2.076 176.751 174.700 -0.042 0.000 1.058 233 T CA 1.982 64.041 62.100 -0.069 0.000 1.166 233 T CB -0.328 68.472 68.868 -0.113 0.000 0.863 233 T HN 0.343 nan 8.240 nan 0.000 0.415 234 R N 0.831 121.248 120.500 -0.139 0.000 2.105 234 R HA 0.003 4.355 4.340 0.020 0.000 0.239 234 R C 2.764 179.109 176.300 0.075 0.000 1.135 234 R CA 1.277 57.287 56.100 -0.151 0.000 0.967 234 R CB -0.502 29.484 30.300 -0.523 0.000 0.861 234 R HN 0.409 nan 8.270 nan 0.000 0.442 235 A N 0.332 123.178 122.820 0.042 0.000 1.898 235 A HA -0.051 4.280 4.320 0.020 0.000 0.216 235 A C 2.366 180.115 177.584 0.275 0.000 1.181 235 A CA 1.634 53.758 52.037 0.145 0.000 0.620 235 A CB -1.105 17.978 19.000 0.139 0.000 0.819 235 A HN 0.468 nan 8.150 nan 0.000 0.442 236 G N 0.161 109.074 108.800 0.189 0.000 2.446 236 G HA2 -0.221 3.751 3.960 0.020 0.000 0.217 236 G HA3 -0.221 3.751 3.960 0.020 0.000 0.217 236 G C 1.529 176.539 174.900 0.182 0.000 1.168 236 G CA 1.218 46.425 45.100 0.180 0.000 0.771 236 G HN 0.468 nan 8.290 nan 0.000 0.551 237 I N -0.431 120.248 120.570 0.180 0.000 2.142 237 I HA -0.111 4.070 4.170 0.020 0.000 0.240 237 I C 2.411 178.619 176.117 0.153 0.000 1.078 237 I CA 1.099 62.507 61.300 0.179 0.000 1.343 237 I CB -0.288 37.884 38.000 0.287 0.000 1.046 237 I HN 0.203 nan 8.210 nan 0.000 0.405 238 F N 0.759 120.728 119.950 0.033 0.000 2.120 238 F HA -0.304 4.233 4.527 0.016 0.000 0.300 238 F C 1.937 177.620 175.800 -0.195 0.000 1.095 238 F CA 1.668 59.593 58.000 -0.126 0.000 1.249 238 F CB -0.254 38.597 39.000 -0.249 0.000 0.995 238 F HN 0.019 nan 8.300 nan 0.000 0.480 239 Y N 0.737 121.076 120.300 0.066 0.000 2.502 239 Y HA 0.251 4.813 4.550 0.019 0.000 0.295 239 Y C 1.587 177.443 175.900 -0.073 0.000 1.193 239 Y CA 0.242 58.317 58.100 -0.042 0.000 1.295 239 Y CB -0.378 38.126 38.460 0.073 0.000 1.059 239 Y HN 0.204 nan 8.280 nan 0.000 0.514 240 G N -0.374 108.443 108.800 0.029 0.000 2.248 240 G HA2 -0.241 3.731 3.960 0.020 0.000 0.252 240 G HA3 -0.241 3.731 3.960 0.020 0.000 0.252 240 G C -0.244 174.685 174.900 0.049 0.000 1.085 240 G CA -0.105 45.001 45.100 0.009 0.000 0.845 240 G HN 0.329 nan 8.290 nan 0.000 0.494 241 C N -0.630 118.717 119.300 0.079 0.000 2.668 241 C HA 0.835 5.307 4.460 0.020 0.000 0.355 241 C C 0.457 175.496 174.990 0.081 0.000 1.277 241 C CA -1.043 58.026 59.018 0.085 0.000 1.787 241 C CB 1.964 29.763 27.740 0.098 0.000 2.233 241 C HN 0.490 nan 8.230 nan 0.000 0.495 242 K N 1.030 121.491 120.400 0.102 0.000 2.339 242 K HA 0.577 4.909 4.320 0.020 0.000 0.264 242 K C -1.359 175.293 176.600 0.087 0.000 0.986 242 K CA -0.249 56.084 56.287 0.078 0.000 0.866 242 K CB 1.590 34.179 32.500 0.149 0.000 1.103 242 K HN 0.411 nan 8.250 nan 0.000 0.441 243 V N 4.483 124.379 119.914 -0.029 0.000 2.406 243 V HA 0.217 4.349 4.120 0.020 0.000 0.272 243 V C -0.762 175.246 176.094 -0.144 0.000 1.043 243 V CA -0.584 61.707 62.300 -0.015 0.000 0.915 243 V CB 0.051 31.863 31.823 -0.020 0.000 0.988 243 V HN 0.574 nan 8.190 nan 0.000 0.466 244 Y N 2.767 123.056 120.300 -0.018 0.000 2.331 244 Y HA 0.652 5.221 4.550 0.032 0.000 0.338 244 Y C 0.584 176.433 175.900 -0.085 0.000 0.992 244 Y CA -0.521 57.564 58.100 -0.025 0.000 1.121 244 Y CB 1.681 40.138 38.460 -0.005 0.000 1.184 244 Y HN 0.708 nan 8.280 nan 0.000 0.469 245 A N 2.367 125.164 122.820 -0.038 0.000 2.363 245 A HA 0.419 4.751 4.320 0.020 0.000 0.270 245 A C -0.588 176.835 177.584 -0.268 0.000 1.121 245 A CA -0.488 51.381 52.037 -0.279 0.000 0.800 245 A CB 0.134 18.781 19.000 -0.588 0.000 1.052 245 A HN 0.908 nan 8.150 nan 0.000 0.493 246 C N 4.830 123.955 119.300 -0.292 0.000 2.258 246 C HA 0.640 5.112 4.460 0.020 0.000 0.321 246 C C -0.531 174.320 174.990 -0.232 0.000 1.168 246 C CA -1.056 57.865 59.018 -0.162 0.000 1.531 246 C CB -2.088 25.585 27.740 -0.113 0.000 2.095 246 C HN 0.691 nan 8.230 nan 0.000 0.449 247 Y N 4.185 124.467 120.300 -0.031 0.000 2.480 247 Y HA 0.235 4.777 4.550 -0.014 0.000 0.338 247 Y C 1.326 177.196 175.900 -0.049 0.000 1.220 247 Y CA 0.974 59.052 58.100 -0.037 0.000 1.430 247 Y CB 0.486 38.936 38.460 -0.016 0.000 1.311 247 Y HN 0.639 nan 8.280 nan 0.000 0.575 248 E N 1.264 121.516 120.200 0.086 0.000 2.240 248 E HA -0.237 4.125 4.350 0.020 0.000 0.194 248 E C 0.918 177.493 176.600 -0.041 0.000 1.385 248 E CA 0.928 57.343 56.400 0.026 0.000 0.686 248 E CB -1.578 28.153 29.700 0.052 0.000 1.125 248 E HN 1.049 nan 8.360 nan 0.000 0.359 249 G N 0.655 109.378 108.800 -0.127 0.000 2.632 249 G HA2 -0.427 3.545 3.960 0.020 0.000 0.322 249 G HA3 -0.427 3.545 3.960 0.020 0.000 0.322 249 G C 0.622 175.331 174.900 -0.317 0.000 1.326 249 G CA 0.837 45.777 45.100 -0.268 0.000 0.986 249 G HN 0.377 nan 8.290 nan 0.000 0.541 250 Y N 1.898 122.056 120.300 -0.237 0.000 2.421 250 Y HA -0.033 4.532 4.550 0.024 0.000 0.292 250 Y C 3.330 179.138 175.900 -0.154 0.000 1.136 250 Y CA 2.290 60.179 58.100 -0.353 0.000 1.255 250 Y CB -0.851 37.228 38.460 -0.635 0.000 0.991 250 Y HN 0.753 nan 8.280 nan 0.000 0.552 251 T N -3.011 111.578 114.554 0.060 0.000 2.720 251 T HA -0.172 4.190 4.350 0.020 0.000 0.268 251 T C 2.352 177.090 174.700 0.063 0.000 1.037 251 T CA 1.473 63.615 62.100 0.071 0.000 1.144 251 T CB -1.024 67.879 68.868 0.058 0.000 0.864 251 T HN 0.364 nan 8.240 nan 0.000 0.444 252 G N 0.697 109.522 108.800 0.041 0.000 2.443 252 G HA2 0.034 4.006 3.960 0.020 0.000 0.219 252 G HA3 0.034 4.006 3.960 0.020 0.000 0.219 252 G C 1.446 176.379 174.900 0.056 0.000 1.131 252 G CA 0.710 45.846 45.100 0.060 0.000 0.775 252 G HN 0.492 nan 8.290 nan 0.000 0.547 253 L N 0.473 121.714 121.223 0.031 0.000 2.179 253 L HA 0.162 4.514 4.340 0.020 0.000 0.208 253 L C 2.775 179.713 176.870 0.114 0.000 1.096 253 L CA 0.972 55.843 54.840 0.052 0.000 0.779 253 L CB 0.021 42.080 42.059 0.001 0.000 0.922 253 L HN 0.064 nan 8.230 nan 0.000 0.443 254 V N 0.276 120.268 119.914 0.129 0.000 2.346 254 V HA -0.184 3.948 4.120 0.020 0.000 0.244 254 V C 1.964 178.131 176.094 0.121 0.000 1.037 254 V CA 1.797 64.187 62.300 0.151 0.000 1.029 254 V CB -0.742 31.180 31.823 0.164 0.000 0.663 254 V HN 0.566 nan 8.190 nan 0.000 0.454 255 K N 1.613 122.072 120.400 0.098 0.000 2.520 255 K HA 0.209 4.541 4.320 0.020 0.000 0.205 255 K C 0.825 177.477 176.600 0.087 0.000 1.035 255 K CA 0.164 56.502 56.287 0.085 0.000 1.188 255 K CB -0.029 32.512 32.500 0.068 0.000 0.894 255 K HN 0.304 nan 8.250 nan 0.000 0.497 256 G N 0.902 109.760 108.800 0.096 0.000 2.178 256 G HA2 0.181 4.153 3.960 0.020 0.000 0.276 256 G HA3 0.181 4.153 3.960 0.020 0.000 0.276 256 G C 0.269 175.216 174.900 0.079 0.000 1.038 256 G CA 0.197 45.349 45.100 0.088 0.000 1.177 256 G HN 0.496 nan 8.290 nan 0.000 0.396 257 G N 1.701 110.546 108.800 0.075 0.000 2.861 257 G HA2 0.085 4.056 3.960 0.020 0.000 0.160 257 G HA3 0.085 4.056 3.960 0.020 0.000 0.160 257 G C 0.709 175.650 174.900 0.069 0.000 1.570 257 G CA 0.564 45.703 45.100 0.065 0.000 0.925 257 G HN 0.457 nan 8.290 nan 0.000 0.754 258 D N -0.275 120.161 120.400 0.060 0.000 2.347 258 D HA 0.115 4.767 4.640 0.020 0.000 0.213 258 D C 2.298 178.639 176.300 0.069 0.000 0.985 258 D CA 0.340 54.371 54.000 0.051 0.000 0.879 258 D CB 0.109 40.921 40.800 0.020 0.000 0.919 258 D HN 0.079 nan 8.370 nan 0.000 0.526 259 M N -0.052 119.609 119.600 0.100 0.000 2.492 259 M HA 0.030 4.522 4.480 0.020 0.000 0.262 259 M C -0.068 176.397 176.300 0.276 0.000 1.090 259 M CA 0.511 55.912 55.300 0.169 0.000 1.110 259 M CB 0.163 32.838 32.600 0.125 0.000 1.407 259 M HN 0.035 nan 8.290 nan 0.000 0.470 260 L N 1.490 122.836 121.223 0.204 0.000 2.283 260 L HA 0.352 4.704 4.340 0.020 0.000 0.281 260 L C -0.439 176.610 176.870 0.298 0.000 1.033 260 L CA 0.235 55.203 54.840 0.213 0.000 0.848 260 L CB 0.609 42.732 42.059 0.106 0.000 1.226 260 L HN 0.089 nan 8.230 nan 0.000 0.429 261 K N 2.290 122.921 120.400 0.386 0.000 2.371 261 K HA 0.382 4.713 4.320 0.020 0.000 0.251 261 K C -0.270 176.443 176.600 0.188 0.000 0.934 261 K CA -0.759 55.729 56.287 0.335 0.000 0.798 261 K CB 2.683 35.388 32.500 0.342 0.000 1.204 261 K HN 0.370 nan 8.250 nan 0.000 0.427 262 E N 2.438 122.593 120.200 -0.075 0.000 2.390 262 E HA 0.137 4.499 4.350 0.020 0.000 0.261 262 E C -0.878 175.603 176.600 -0.198 0.000 1.076 262 E CA -0.078 56.020 56.400 -0.504 0.000 0.905 262 E CB 0.673 29.954 29.700 -0.698 0.000 0.984 262 E HN 0.342 nan 8.360 nan 0.000 0.427 263 L N 3.767 124.864 121.223 -0.209 0.000 2.322 263 L HA 0.276 4.628 4.340 0.020 0.000 0.281 263 L C 0.022 176.849 176.870 -0.073 0.000 1.014 263 L CA -0.834 53.948 54.840 -0.097 0.000 0.815 263 L CB 1.645 43.649 42.059 -0.091 0.000 1.247 263 L HN 0.371 nan 8.230 nan 0.000 0.421 264 Q N 0.969 120.758 119.800 -0.019 0.000 2.205 264 Q HA 0.049 4.401 4.340 0.020 0.000 0.249 264 Q C 0.367 176.428 176.000 0.102 0.000 0.948 264 Q CA -0.520 55.309 55.803 0.044 0.000 0.895 264 Q CB 1.607 30.374 28.738 0.049 0.000 1.249 264 Q HN 0.679 nan 8.270 nan 0.000 0.458 265 W N 1.688 122.964 121.300 -0.040 0.000 2.313 265 W HA -0.229 4.439 4.660 0.015 0.000 0.293 265 W C 1.949 178.445 176.519 -0.038 0.000 1.216 265 W CA 1.863 59.186 57.345 -0.036 0.000 1.223 265 W CB 0.403 29.846 29.460 -0.028 0.000 1.138 265 W HN 0.705 nan 8.180 nan 0.000 0.535 266 Q N -0.638 119.295 119.800 0.222 0.000 2.331 266 Q HA -0.136 4.215 4.340 0.020 0.000 0.203 266 Q C 1.464 177.473 176.000 0.014 0.000 0.944 266 Q CA 1.168 57.042 55.803 0.117 0.000 0.892 266 Q CB -0.048 28.763 28.738 0.122 0.000 0.983 266 Q HN 0.129 nan 8.270 nan 0.000 0.482 267 D N -0.154 120.248 120.400 0.004 0.000 2.178 267 D HA -0.134 4.518 4.640 0.020 0.000 0.201 267 D C 1.463 177.731 176.300 -0.053 0.000 0.980 267 D CA 1.185 55.176 54.000 -0.015 0.000 0.842 267 D CB 0.127 40.924 40.800 -0.005 0.000 0.948 267 D HN 0.267 nan 8.370 nan 0.000 0.472 268 V N -1.608 118.242 119.914 -0.107 0.000 3.499 268 V HA 0.222 4.354 4.120 0.020 0.000 0.308 268 V C 0.732 176.721 176.094 -0.174 0.000 1.319 268 V CA -0.474 61.737 62.300 -0.149 0.000 1.194 268 V CB -0.813 30.895 31.823 -0.192 0.000 1.072 268 V HN -0.109 nan 8.190 nan 0.000 0.426 269 R N 1.332 121.750 120.500 -0.137 0.000 2.585 269 R HA 0.342 4.694 4.340 0.020 0.000 0.275 269 R C 1.531 177.772 176.300 -0.099 0.000 1.018 269 R CA 0.988 57.013 56.100 -0.125 0.000 1.072 269 R CB 0.327 30.584 30.300 -0.072 0.000 0.953 269 R HN 0.746 nan 8.270 nan 0.000 0.419 270 G N 2.869 111.609 108.800 -0.099 0.000 2.244 270 G HA2 -0.289 3.683 3.960 0.020 0.000 0.274 270 G HA3 -0.289 3.683 3.960 0.020 0.000 0.274 270 G C 0.733 175.591 174.900 -0.070 0.000 1.002 270 G CA 0.369 45.425 45.100 -0.074 0.000 0.740 270 G HN 0.605 nan 8.290 nan 0.000 0.516 271 L N -0.024 121.146 121.223 -0.089 0.000 2.456 271 L HA 0.022 4.374 4.340 0.020 0.000 0.224 271 L C 2.870 179.695 176.870 -0.074 0.000 1.148 271 L CA 1.399 56.191 54.840 -0.080 0.000 0.825 271 L CB -0.400 41.601 42.059 -0.098 0.000 0.937 271 L HN 0.637 nan 8.230 nan 0.000 0.450 272 L N -2.536 118.639 121.223 -0.079 0.000 2.465 272 L HA 0.013 4.365 4.340 0.020 0.000 0.224 272 L C 1.822 178.669 176.870 -0.039 0.000 1.145 272 L CA 1.071 55.872 54.840 -0.065 0.000 0.834 272 L CB -0.404 41.610 42.059 -0.074 0.000 0.944 272 L HN 0.217 nan 8.230 nan 0.000 0.451 273 S N -1.714 113.966 115.700 -0.034 0.000 2.663 273 S HA 0.348 4.829 4.470 0.020 0.000 0.243 273 S C 1.026 175.615 174.600 -0.018 0.000 1.009 273 S CA -0.669 57.519 58.200 -0.020 0.000 0.988 273 S CB 0.128 63.317 63.200 -0.019 0.000 0.896 273 S HN 0.246 nan 8.310 nan 0.000 0.502 274 I N 1.797 122.352 120.570 -0.024 0.000 5.440 274 I HA 0.505 4.687 4.170 0.020 0.000 0.231 274 I C 1.416 177.525 176.117 -0.014 0.000 0.932 274 I CA 0.958 62.247 61.300 -0.019 0.000 1.720 274 I CB -1.784 36.203 38.000 -0.023 0.000 1.458 274 I HN 0.502 nan 8.210 nan 0.000 0.463 275 G N 0.092 108.881 108.800 -0.019 0.000 2.778 275 G HA2 -0.045 3.927 3.960 0.020 0.000 0.686 275 G HA3 -0.045 3.927 3.960 0.020 0.000 0.686 275 G C 0.508 175.406 174.900 -0.003 0.000 1.309 275 G CA -0.051 45.040 45.100 -0.015 0.000 0.904 275 G HN 0.825 nan 8.290 nan 0.000 0.593 276 G N -0.075 108.727 108.800 0.004 0.000 2.699 276 G HA2 0.470 4.442 3.960 0.020 0.000 0.214 276 G HA3 0.470 4.442 3.960 0.020 0.000 0.214 276 G C 0.876 175.765 174.900 -0.018 0.000 1.350 276 G CA 1.898 46.995 45.100 -0.006 0.000 0.873 276 G HN 1.812 nan 8.290 nan 0.000 0.570 277 T N -0.576 113.971 114.554 -0.013 0.000 2.886 277 T HA 0.412 4.774 4.350 0.020 0.000 0.292 277 T C 1.162 175.856 174.700 -0.009 0.000 1.012 277 T CA -0.279 61.804 62.100 -0.028 0.000 0.982 277 T CB 1.472 70.311 68.868 -0.049 0.000 1.018 277 T HN 0.423 nan 8.240 nan 0.000 0.451 278 I N 3.072 123.633 120.570 -0.014 0.000 3.059 278 I HA 0.302 4.483 4.170 0.020 0.000 0.270 278 I C 1.742 177.903 176.117 0.073 0.000 1.238 278 I CA 0.675 61.990 61.300 0.024 0.000 1.478 278 I CB -0.122 37.888 38.000 0.016 0.000 1.097 278 I HN 0.544 nan 8.210 nan 0.000 0.455 279 I N 1.678 122.235 120.570 -0.020 0.000 2.617 279 I HA 0.162 4.344 4.170 0.020 0.000 0.256 279 I C 1.241 177.378 176.117 0.034 0.000 1.167 279 I CA 0.980 62.202 61.300 -0.130 0.000 1.469 279 I CB -0.499 37.330 38.000 -0.285 0.000 1.098 279 I HN 0.554 nan 8.210 nan 0.000 0.436 280 G N 0.905 109.719 108.800 0.023 0.000 2.716 280 G HA2 -0.192 3.779 3.960 0.020 0.000 0.686 280 G HA3 -0.192 3.779 3.960 0.020 0.000 0.686 280 G C -0.274 174.617 174.900 -0.016 0.000 1.337 280 G CA -0.208 44.911 45.100 0.033 0.000 0.829 280 G HN 0.196 nan 8.290 nan 0.000 0.599 281 T N -0.479 114.068 114.554 -0.012 0.000 2.942 281 T HA 1.028 5.389 4.350 0.020 0.000 0.289 281 T C 0.193 174.884 174.700 -0.015 0.000 1.044 281 T CA 0.815 62.895 62.100 -0.034 0.000 1.023 281 T CB 1.523 70.371 68.868 -0.033 0.000 1.123 281 T HN 2.452 nan 8.240 nan 0.000 0.512 282 A N 1.006 123.811 122.820 -0.024 0.000 2.589 282 A HA 0.822 5.154 4.320 0.020 0.000 0.296 282 A C -0.129 177.468 177.584 0.022 0.000 1.062 282 A CA -0.529 51.511 52.037 0.005 0.000 0.686 282 A CB 0.876 19.882 19.000 0.009 0.000 1.282 282 A HN 1.307 nan 8.150 nan 0.000 0.404 283 R N -0.111 120.415 120.500 0.043 0.000 2.543 283 R HA 0.457 4.809 4.340 0.020 0.000 0.277 283 R C 0.169 176.524 176.300 0.092 0.000 1.074 283 R CA 0.310 56.447 56.100 0.062 0.000 1.076 283 R CB -0.986 29.346 30.300 0.055 0.000 0.993 283 R HN 1.357 nan 8.270 nan 0.000 0.459 284 C N 2.297 121.668 119.300 0.117 0.000 2.667 284 C HA 0.538 5.010 4.460 0.020 0.000 0.392 284 C C 1.734 176.788 174.990 0.106 0.000 1.332 284 C CA 0.276 59.381 59.018 0.145 0.000 1.594 284 C CB -1.162 26.663 27.740 0.141 0.000 2.345 284 C HN 1.051 nan 8.230 nan 0.000 0.594 285 K N 1.924 122.390 120.400 0.110 0.000 2.735 285 K HA 0.162 4.493 4.320 0.020 0.000 0.197 285 K C 1.407 178.052 176.600 0.074 0.000 1.468 285 K CA 0.151 56.485 56.287 0.079 0.000 1.109 285 K CB -0.340 32.199 32.500 0.065 0.000 1.732 285 K HN 0.606 nan 8.250 nan 0.000 0.541 286 E N -0.454 119.803 120.200 0.095 0.000 2.318 286 E HA 0.220 4.582 4.350 0.020 0.000 0.193 286 E C 1.218 177.873 176.600 0.091 0.000 0.998 286 E CA 0.389 56.838 56.400 0.081 0.000 0.859 286 E CB 0.016 29.766 29.700 0.085 0.000 0.812 286 E HN 0.467 nan 8.360 nan 0.000 0.492 287 F N 1.204 121.113 119.950 -0.068 0.000 2.811 287 F HA 0.089 4.630 4.527 0.023 0.000 0.301 287 F C 1.621 177.334 175.800 -0.144 0.000 1.151 287 F CA 0.353 58.253 58.000 -0.167 0.000 1.412 287 F CB 0.254 39.031 39.000 -0.372 0.000 1.113 287 F HN -0.177 nan 8.300 nan 0.000 0.579 288 R N -0.154 120.341 120.500 -0.008 0.000 2.246 288 R HA 0.080 4.432 4.340 0.020 0.000 0.199 288 R C 0.153 176.411 176.300 -0.070 0.000 0.984 288 R CA 0.365 56.444 56.100 -0.034 0.000 1.015 288 R CB 0.072 30.378 30.300 0.009 0.000 0.930 288 R HN 0.245 nan 8.270 nan 0.000 0.475 289 E N 0.028 120.182 120.200 -0.076 0.000 2.191 289 E HA 0.205 4.567 4.350 0.020 0.000 0.278 289 E C 0.881 177.414 176.600 -0.112 0.000 0.972 289 E CA -0.138 56.219 56.400 -0.071 0.000 0.804 289 E CB 1.540 31.219 29.700 -0.035 0.000 1.110 289 E HN 0.132 nan 8.360 nan 0.000 0.394 290 R N 1.725 122.170 120.500 -0.091 0.000 2.091 290 R HA -0.214 4.138 4.340 0.020 0.000 0.238 290 R C 2.201 178.460 176.300 -0.069 0.000 1.136 290 R CA 2.531 58.577 56.100 -0.090 0.000 0.959 290 R CB -1.997 28.266 30.300 -0.062 0.000 0.856 290 R HN 0.798 nan 8.270 nan 0.000 0.437 291 W N 0.485 121.756 121.300 -0.048 0.000 2.465 291 W HA 0.279 4.951 4.660 0.020 0.000 0.268 291 W C 2.549 179.059 176.519 -0.015 0.000 1.242 291 W CA 0.813 58.140 57.345 -0.030 0.000 1.248 291 W CB -0.920 28.525 29.460 -0.024 0.000 1.118 291 W HN 0.620 nan 8.180 nan 0.000 0.587 292 G N -0.286 108.497 108.800 -0.028 0.000 2.396 292 G HA2 -0.056 3.915 3.960 0.020 0.000 0.214 292 G HA3 -0.056 3.915 3.960 0.020 0.000 0.214 292 G C 1.747 176.644 174.900 -0.005 0.000 1.166 292 G CA 0.970 46.071 45.100 0.002 0.000 0.793 292 G HN 0.470 nan 8.290 nan 0.000 0.533 293 R N -0.383 120.025 120.500 -0.152 0.000 2.115 293 R HA 0.188 4.540 4.340 0.020 0.000 0.226 293 R C 2.477 178.880 176.300 0.171 0.000 1.100 293 R CA 0.425 56.422 56.100 -0.172 0.000 0.980 293 R CB -0.400 29.704 30.300 -0.326 0.000 0.875 293 R HN 0.302 nan 8.270 nan 0.000 0.445 294 L N 1.037 122.303 121.223 0.071 0.000 2.017 294 L HA -0.274 4.077 4.340 0.020 0.000 0.208 294 L C 3.040 179.984 176.870 0.124 0.000 1.073 294 L CA 2.049 56.928 54.840 0.064 0.000 0.745 294 L CB -0.532 41.528 42.059 0.002 0.000 0.894 294 L HN 0.289 nan 8.230 nan 0.000 0.432 295 Q N -0.663 119.208 119.800 0.118 0.000 2.084 295 Q HA -0.176 4.176 4.340 0.020 0.000 0.202 295 Q C 2.211 178.357 176.000 0.243 0.000 0.978 295 Q CA 1.805 57.702 55.803 0.157 0.000 0.844 295 Q CB -1.167 27.634 28.738 0.105 0.000 0.898 295 Q HN 0.716 nan 8.270 nan 0.000 0.426 296 A N -0.100 122.879 122.820 0.266 0.000 1.933 296 A HA -0.136 4.195 4.320 0.020 0.000 0.218 296 A C 2.632 180.496 177.584 0.467 0.000 1.175 296 A CA 1.648 53.876 52.037 0.318 0.000 0.628 296 A CB -1.282 17.905 19.000 0.312 0.000 0.814 296 A HN 0.968 nan 8.150 nan 0.000 0.444 297 C N -1.899 117.727 119.300 0.543 0.000 2.462 297 C HA -0.109 4.363 4.460 0.020 0.000 0.278 297 C C 2.422 177.524 174.990 0.187 0.000 1.253 297 C CA 1.277 60.536 59.018 0.401 0.000 1.713 297 C CB -1.398 26.317 27.740 -0.042 0.000 2.049 297 C HN 0.698 nan 8.230 nan 0.000 0.477 298 Y N 2.963 123.292 120.300 0.048 0.000 2.069 298 Y HA -0.220 4.342 4.550 0.020 0.000 0.278 298 Y C 2.278 178.200 175.900 0.037 0.000 1.175 298 Y CA 2.604 60.712 58.100 0.014 0.000 1.134 298 Y CB -0.811 37.657 38.460 0.013 0.000 0.965 298 Y HN 0.406 nan 8.280 nan 0.000 0.498 299 N N 0.020 118.762 118.700 0.070 0.000 2.137 299 N HA -0.240 4.512 4.740 0.020 0.000 0.190 299 N C 1.914 177.380 175.510 -0.073 0.000 1.017 299 N CA 2.123 55.164 53.050 -0.016 0.000 0.859 299 N CB -0.537 38.015 38.487 0.109 0.000 1.002 299 N HN 0.499 nan 8.380 nan 0.000 0.428 300 M N 0.068 119.695 119.600 0.046 0.000 2.077 300 M HA -0.106 4.386 4.480 0.020 0.000 0.261 300 M C 2.081 178.286 176.300 -0.158 0.000 1.070 300 M CA 1.152 56.477 55.300 0.042 0.000 1.125 300 M CB -0.253 32.529 32.600 0.304 0.000 1.339 300 M HN -0.081 nan 8.290 nan 0.000 0.409 301 V N -0.221 119.581 119.914 -0.186 0.000 2.255 301 V HA -0.261 3.871 4.120 0.020 0.000 0.247 301 V C 2.318 178.151 176.094 -0.436 0.000 1.051 301 V CA 2.222 64.275 62.300 -0.412 0.000 1.018 301 V CB -1.185 30.523 31.823 -0.193 0.000 0.641 301 V HN 0.434 nan 8.190 nan 0.000 0.445 302 S N 1.034 116.461 115.700 -0.455 0.000 2.359 302 S HA -0.215 4.267 4.470 0.020 0.000 0.224 302 S C 1.620 176.062 174.600 -0.265 0.000 1.035 302 S CA 1.996 59.943 58.200 -0.423 0.000 1.018 302 S CB -0.569 62.242 63.200 -0.649 0.000 0.876 302 S HN 0.682 nan 8.310 nan 0.000 0.448 303 N N 0.703 119.250 118.700 -0.256 0.000 2.449 303 N HA 0.262 5.013 4.740 0.020 0.000 0.191 303 N C 0.962 176.318 175.510 -0.257 0.000 1.161 303 N CA 0.571 53.483 53.050 -0.229 0.000 0.863 303 N CB 0.010 38.364 38.487 -0.222 0.000 0.980 303 N HN 0.470 nan 8.380 nan 0.000 0.458 304 G N 0.422 109.063 108.800 -0.264 0.000 2.225 304 G HA2 -0.256 3.716 3.960 0.020 0.000 0.267 304 G HA3 -0.256 3.716 3.960 0.020 0.000 0.267 304 G C -0.197 174.619 174.900 -0.140 0.000 1.024 304 G CA -0.255 44.732 45.100 -0.189 0.000 0.784 304 G HN 0.210 nan 8.290 nan 0.000 0.507 305 I N 1.383 121.821 120.570 -0.220 0.000 2.436 305 I HA 0.218 4.399 4.170 0.020 0.000 0.289 305 I C 0.906 177.019 176.117 -0.007 0.000 1.083 305 I CA 0.034 61.272 61.300 -0.103 0.000 1.372 305 I CB 0.839 38.786 38.000 -0.089 0.000 1.408 305 I HN 0.291 nan 8.210 nan 0.000 0.516 306 D N 3.634 124.080 120.400 0.077 0.000 2.417 306 D HA 0.347 4.998 4.640 0.020 0.000 0.207 306 D C 0.439 176.737 176.300 -0.004 0.000 1.075 306 D CA -0.020 54.057 54.000 0.129 0.000 0.851 306 D CB 0.555 41.439 40.800 0.140 0.000 0.976 306 D HN 0.485 nan 8.370 nan 0.000 0.505 307 A N 0.170 122.980 122.820 -0.016 0.000 2.486 307 A HA 0.681 5.013 4.320 0.020 0.000 0.300 307 A C -1.924 175.641 177.584 -0.032 0.000 1.048 307 A CA -0.786 51.223 52.037 -0.047 0.000 0.696 307 A CB 1.647 20.631 19.000 -0.027 0.000 1.278 307 A HN 0.122 nan 8.150 nan 0.000 0.405 308 L N 2.011 123.208 121.223 -0.044 0.000 2.385 308 L HA 0.771 5.123 4.340 0.020 0.000 0.273 308 L C -1.356 175.496 176.870 -0.031 0.000 0.990 308 L CA -0.403 54.426 54.840 -0.018 0.000 0.821 308 L CB 2.229 44.309 42.059 0.035 0.000 1.279 308 L HN 0.462 nan 8.230 nan 0.000 0.412 309 V N 5.610 125.496 119.914 -0.048 0.000 2.376 309 V HA 0.464 4.596 4.120 0.020 0.000 0.287 309 V C -0.560 175.477 176.094 -0.095 0.000 1.015 309 V CA -0.692 61.570 62.300 -0.062 0.000 0.834 309 V CB 1.724 33.509 31.823 -0.063 0.000 1.001 309 V HN 0.486 nan 8.190 nan 0.000 0.428 310 V N 4.366 124.228 119.914 -0.086 0.000 2.333 310 V HA 0.259 4.391 4.120 0.020 0.000 0.274 310 V C 0.151 176.178 176.094 -0.111 0.000 1.028 310 V CA -0.387 61.837 62.300 -0.127 0.000 0.851 310 V CB 1.363 33.146 31.823 -0.067 0.000 1.000 310 V HN 0.998 nan 8.190 nan 0.000 0.456 311 C N 5.836 125.051 119.300 -0.140 0.000 2.225 311 C HA 0.898 5.370 4.460 0.020 0.000 0.323 311 C C 0.667 175.589 174.990 -0.113 0.000 1.164 311 C CA 0.334 59.283 59.018 -0.114 0.000 1.565 311 C CB -1.218 26.453 27.740 -0.115 0.000 2.124 311 C HN 1.082 nan 8.230 nan 0.000 0.461 312 G N 3.541 112.292 108.800 -0.081 0.000 2.606 312 G HA2 0.671 4.643 3.960 0.020 0.000 0.300 312 G HA3 0.671 4.643 3.960 0.020 0.000 0.300 312 G C -0.227 174.653 174.900 -0.034 0.000 1.360 312 G CA 0.079 45.142 45.100 -0.062 0.000 0.783 312 G HN 1.012 nan 8.290 nan 0.000 0.484 313 G N -1.042 107.748 108.800 -0.016 0.000 2.510 313 G HA2 0.406 4.378 3.960 0.020 0.000 0.280 313 G HA3 0.406 4.378 3.960 0.020 0.000 0.280 313 G C 0.491 175.388 174.900 -0.005 0.000 1.386 313 G CA 0.636 45.731 45.100 -0.008 0.000 1.047 313 G HN 0.505 nan 8.290 nan 0.000 0.527 314 D N -0.381 120.006 120.400 -0.021 0.000 2.126 314 D HA -0.120 4.532 4.640 0.020 0.000 0.190 314 D C 2.470 178.756 176.300 -0.022 0.000 1.001 314 D CA 1.933 55.906 54.000 -0.045 0.000 0.841 314 D CB -0.310 40.421 40.800 -0.115 0.000 0.949 314 D HN 0.425 nan 8.370 nan 0.000 0.446 315 G N -0.131 108.663 108.800 -0.010 0.000 2.418 315 G HA2 -0.261 3.711 3.960 0.020 0.000 0.217 315 G HA3 -0.261 3.711 3.960 0.020 0.000 0.217 315 G C 1.742 176.690 174.900 0.081 0.000 1.158 315 G CA 0.978 46.093 45.100 0.026 0.000 0.771 315 G HN 0.236 nan 8.290 nan 0.000 0.545 316 S N 0.358 116.117 115.700 0.097 0.000 2.383 316 S HA 0.044 4.526 4.470 0.020 0.000 0.227 316 S C 2.237 176.946 174.600 0.182 0.000 1.026 316 S CA 0.670 58.980 58.200 0.183 0.000 0.981 316 S CB -0.147 63.100 63.200 0.077 0.000 0.818 316 S HN 0.309 nan 8.310 nan 0.000 0.472 317 L N 0.816 122.095 121.223 0.093 0.000 2.240 317 L HA -0.012 4.339 4.340 0.020 0.000 0.211 317 L C 2.485 179.405 176.870 0.084 0.000 1.106 317 L CA 0.878 55.766 54.840 0.080 0.000 0.793 317 L CB -0.952 41.126 42.059 0.033 0.000 0.927 317 L HN 0.250 nan 8.230 nan 0.000 0.446 318 T N -0.102 114.491 114.554 0.066 0.000 2.788 318 T HA -0.108 4.253 4.350 0.020 0.000 0.268 318 T C 1.886 176.639 174.700 0.088 0.000 1.044 318 T CA 1.380 63.513 62.100 0.054 0.000 1.139 318 T CB -0.389 68.493 68.868 0.024 0.000 0.867 318 T HN 0.546 nan 8.240 nan 0.000 0.454 319 G N 1.048 109.920 108.800 0.120 0.000 2.404 319 G HA2 0.009 3.981 3.960 0.020 0.000 0.215 319 G HA3 0.009 3.981 3.960 0.020 0.000 0.215 319 G C 1.845 176.913 174.900 0.280 0.000 1.174 319 G CA 0.793 45.991 45.100 0.162 0.000 0.780 319 G HN 0.557 nan 8.290 nan 0.000 0.537 320 A N 1.085 124.070 122.820 0.274 0.000 1.902 320 A HA -0.095 4.237 4.320 0.020 0.000 0.217 320 A C 2.023 179.767 177.584 0.266 0.000 1.181 320 A CA 2.252 54.481 52.037 0.321 0.000 0.623 320 A CB -0.629 18.511 19.000 0.234 0.000 0.818 320 A HN 0.448 nan 8.150 nan 0.000 0.443 321 D N -0.799 119.701 120.400 0.168 0.000 2.117 321 D HA -0.139 4.513 4.640 0.020 0.000 0.197 321 D C 1.752 178.123 176.300 0.118 0.000 0.987 321 D CA 1.271 55.338 54.000 0.112 0.000 0.829 321 D CB -0.160 40.682 40.800 0.069 0.000 0.961 321 D HN 0.295 nan 8.370 nan 0.000 0.460 322 L N -0.746 120.555 121.223 0.130 0.000 2.156 322 L HA 0.057 4.409 4.340 0.020 0.000 0.208 322 L C 1.992 178.951 176.870 0.149 0.000 1.095 322 L CA 0.989 55.886 54.840 0.096 0.000 0.770 322 L CB -0.400 41.685 42.059 0.043 0.000 0.914 322 L HN 0.163 nan 8.230 nan 0.000 0.439 323 F N 0.435 120.422 119.950 0.061 0.000 2.186 323 F HA -0.253 4.286 4.527 0.021 0.000 0.299 323 F C 2.521 178.431 175.800 0.182 0.000 1.090 323 F CA 1.350 59.423 58.000 0.122 0.000 1.307 323 F CB 0.025 39.216 39.000 0.319 0.000 1.019 323 F HN 0.106 nan 8.300 nan 0.000 0.489 324 R N 1.170 121.759 120.500 0.148 0.000 2.090 324 R HA -0.000 4.351 4.340 0.020 0.000 0.228 324 R C 2.126 178.449 176.300 0.038 0.000 1.110 324 R CA 1.613 57.723 56.100 0.017 0.000 0.973 324 R CB -1.329 28.968 30.300 -0.005 0.000 0.869 324 R HN 0.160 nan 8.270 nan 0.000 0.440 325 K N 1.732 122.164 120.400 0.052 0.000 2.057 325 K HA -0.084 4.247 4.320 0.020 0.000 0.206 325 K C 1.887 178.509 176.600 0.036 0.000 1.050 325 K CA 1.814 58.124 56.287 0.039 0.000 0.935 325 K CB -0.771 31.749 32.500 0.033 0.000 0.715 325 K HN 0.669 nan 8.250 nan 0.000 0.439 326 E N -1.303 118.916 120.200 0.032 0.000 2.489 326 E HA -0.015 4.347 4.350 0.020 0.000 0.193 326 E C 1.664 178.253 176.600 -0.019 0.000 1.057 326 E CA -0.314 56.088 56.400 0.003 0.000 0.866 326 E CB 0.017 29.713 29.700 -0.006 0.000 0.916 326 E HN 0.685 nan 8.360 nan 0.000 0.500 327 W N 2.231 123.395 121.300 -0.227 0.000 2.355 327 W HA -0.060 4.612 4.660 0.019 0.000 0.309 327 W C -1.232 175.201 176.519 -0.143 0.000 1.206 327 W CA 0.922 58.099 57.345 -0.280 0.000 1.284 327 W CB -1.021 28.215 29.460 -0.373 0.000 1.145 327 W HN 0.032 nan 8.180 nan 0.000 0.502 328 P HA -0.143 nan 4.420 nan 0.000 0.227 328 P C -0.658 176.626 177.300 -0.026 0.000 1.145 328 P CA 1.489 64.614 63.100 0.041 0.000 0.769 328 P CB -0.335 31.404 31.700 0.065 0.000 0.769 329 E N 0.141 120.292 120.200 -0.081 0.000 1.993 329 E HA 0.282 4.644 4.350 0.020 0.000 0.271 329 E C -0.459 176.051 176.600 -0.151 0.000 1.008 329 E CA -0.006 56.346 56.400 -0.081 0.000 0.814 329 E CB -0.008 29.655 29.700 -0.060 0.000 1.098 329 E HN 0.174 nan 8.360 nan 0.000 0.407 330 L N 4.698 125.868 121.223 -0.089 0.000 2.345 330 L HA 0.486 4.838 4.340 0.020 0.000 0.274 330 L C -0.322 176.535 176.870 -0.022 0.000 0.999 330 L CA -0.688 54.106 54.840 -0.076 0.000 0.849 330 L CB 0.818 42.880 42.059 0.007 0.000 1.220 330 L HN 0.383 nan 8.230 nan 0.000 0.422 331 I N 3.237 123.779 120.570 -0.046 0.000 2.575 331 I HA 0.215 4.397 4.170 0.020 0.000 0.285 331 I C 0.186 176.285 176.117 -0.031 0.000 1.085 331 I CA -0.129 61.144 61.300 -0.044 0.000 1.403 331 I CB 0.738 38.710 38.000 -0.048 0.000 1.409 331 I HN 0.527 nan 8.210 nan 0.000 0.557 332 K N 6.017 126.390 120.400 -0.046 0.000 2.324 332 K HA 0.364 4.696 4.320 0.020 0.000 0.253 332 K C -0.592 175.986 176.600 -0.037 0.000 0.932 332 K CA -0.830 55.433 56.287 -0.040 0.000 0.799 332 K CB 2.242 34.695 32.500 -0.079 0.000 1.154 332 K HN 0.553 nan 8.250 nan 0.000 0.425 343 E N 1.349 121.599 120.200 0.083 0.000 2.219 343 E HA -0.251 4.111 4.350 0.020 0.000 0.198 343 E C 1.147 177.800 176.600 0.089 0.000 0.998 343 E CA 1.980 58.425 56.400 0.075 0.000 0.818 343 E CB 0.108 29.834 29.700 0.045 0.000 0.741 343 E HN 0.576 nan 8.360 nan 0.000 0.477 344 Q N -0.782 119.094 119.800 0.127 0.000 2.112 344 Q HA -0.250 4.101 4.340 0.020 0.000 0.206 344 Q C 1.825 177.951 176.000 0.210 0.000 0.987 344 Q CA 2.025 57.949 55.803 0.201 0.000 0.858 344 Q CB -0.369 28.474 28.738 0.176 0.000 0.905 344 Q HN 0.467 nan 8.270 nan 0.000 0.420 345 Y N 1.306 121.649 120.300 0.073 0.000 2.097 345 Y HA -0.283 4.279 4.550 0.020 0.000 0.282 345 Y C 2.089 178.014 175.900 0.043 0.000 1.152 345 Y CA 1.902 60.032 58.100 0.050 0.000 1.136 345 Y CB 0.058 38.527 38.460 0.016 0.000 0.975 345 Y HN 0.008 nan 8.280 nan 0.000 0.498 346 E N -0.559 119.694 120.200 0.089 0.000 2.150 346 E HA -0.115 4.247 4.350 0.020 0.000 0.193 346 E C 2.173 178.707 176.600 -0.109 0.000 0.985 346 E CA 1.785 58.179 56.400 -0.010 0.000 0.814 346 E CB -0.367 29.379 29.700 0.076 0.000 0.752 346 E HN 0.514 nan 8.360 nan 0.000 0.466 347 T N -0.500 113.971 114.554 -0.137 0.000 2.612 347 T HA -0.123 4.239 4.350 0.020 0.000 0.259 347 T C 0.558 175.030 174.700 -0.380 0.000 1.065 347 T CA 1.607 63.519 62.100 -0.313 0.000 1.167 347 T CB -0.426 68.183 68.868 -0.431 0.000 0.863 347 T HN 0.311 nan 8.240 nan 0.000 0.407 348 H N 0.574 119.643 119.070 -0.002 0.000 2.713 348 H HA 0.381 4.949 4.556 0.020 0.000 0.294 348 H C 1.584 176.972 175.328 0.102 0.000 1.366 348 H CA -0.234 55.863 56.048 0.081 0.000 1.139 348 H CB 0.066 29.923 29.762 0.158 0.000 1.487 348 H HN 0.081 nan 8.280 nan 0.000 0.504 349 R N 0.741 121.225 120.500 -0.026 0.000 2.127 349 R HA 0.053 4.405 4.340 0.020 0.000 0.217 349 R C -0.369 176.004 176.300 0.123 0.000 1.074 349 R CA 0.487 56.491 56.100 -0.160 0.000 0.991 349 R CB 0.422 30.509 30.300 -0.355 0.000 0.895 349 R HN 0.362 nan 8.270 nan 0.000 0.450 350 N N 1.726 120.470 118.700 0.072 0.000 2.511 350 N HA 0.082 4.834 4.740 0.020 0.000 0.249 350 N C -1.123 174.284 175.510 -0.171 0.000 0.971 350 N CA -0.393 52.650 53.050 -0.011 0.000 0.938 350 N CB 2.028 40.487 38.487 -0.046 0.000 1.131 350 N HN -0.010 nan 8.380 nan 0.000 0.505 351 L N 2.336 123.256 121.223 -0.505 0.000 2.455 351 L HA 0.151 4.503 4.340 0.020 0.000 0.272 351 L C 0.059 176.666 176.870 -0.437 0.000 1.174 351 L CA 0.657 54.964 54.840 -0.889 0.000 0.869 351 L CB 0.380 41.492 42.059 -1.580 0.000 1.130 351 L HN 0.385 nan 8.230 nan 0.000 0.474 352 T N 7.429 121.782 114.554 -0.334 0.000 2.801 352 T HA 0.467 4.829 4.350 0.020 0.000 0.306 352 T C -0.312 174.286 174.700 -0.170 0.000 1.020 352 T CA -0.024 61.961 62.100 -0.192 0.000 0.948 352 T CB 0.023 68.816 68.868 -0.126 0.000 0.962 352 T HN 0.535 nan 8.240 nan 0.000 0.465 353 I N 4.037 124.527 120.570 -0.134 0.000 2.466 353 I HA 0.645 4.826 4.170 0.020 0.000 0.289 353 I C -1.191 174.899 176.117 -0.045 0.000 1.026 353 I CA -0.801 60.455 61.300 -0.074 0.000 1.078 353 I CB 1.145 39.122 38.000 -0.038 0.000 1.249 353 I HN 0.278 nan 8.210 nan 0.000 0.429 354 V N 6.101 125.993 119.914 -0.036 0.000 2.680 354 V HA 0.752 4.884 4.120 0.020 0.000 0.309 354 V C 0.292 176.369 176.094 -0.029 0.000 1.052 354 V CA -0.516 61.763 62.300 -0.036 0.000 0.908 354 V CB 1.837 33.632 31.823 -0.046 0.000 1.001 354 V HN 0.844 nan 8.190 nan 0.000 0.431 355 G N 3.550 112.334 108.800 -0.027 0.000 2.470 355 G HA2 0.718 4.690 3.960 0.020 0.000 0.320 355 G HA3 0.718 4.690 3.960 0.020 0.000 0.320 355 G C -1.318 173.556 174.900 -0.043 0.000 1.245 355 G CA -0.521 44.563 45.100 -0.027 0.000 0.935 355 G HN 0.556 nan 8.290 nan 0.000 0.476 356 L N 1.713 122.902 121.223 -0.056 0.000 2.329 356 L HA 0.433 4.785 4.340 0.020 0.000 0.279 356 L C -0.186 176.647 176.870 -0.062 0.000 1.014 356 L CA -1.180 53.619 54.840 -0.067 0.000 0.814 356 L CB 2.455 44.463 42.059 -0.084 0.000 1.257 356 L HN 0.230 nan 8.230 nan 0.000 0.424 357 V N 1.791 121.669 119.914 -0.060 0.000 2.322 357 V HA 0.317 4.449 4.120 0.020 0.000 0.258 357 V C 0.792 176.851 176.094 -0.058 0.000 1.074 357 V CA -0.483 61.784 62.300 -0.054 0.000 0.909 357 V CB 0.595 32.388 31.823 -0.049 0.000 1.090 357 V HN 0.883 nan 8.190 nan 0.000 0.486 358 G N 3.230 111.996 108.800 -0.057 0.000 2.696 358 G HA2 0.499 4.470 3.960 0.020 0.000 0.329 358 G HA3 0.499 4.470 3.960 0.020 0.000 0.329 358 G C -0.026 174.851 174.900 -0.038 0.000 0.973 358 G CA -0.069 44.999 45.100 -0.053 0.000 1.257 358 G HN 0.827 nan 8.290 nan 0.000 0.456 359 S N 2.369 118.047 115.700 -0.036 0.000 2.603 359 S HA 0.251 4.733 4.470 0.020 0.000 0.274 359 S C 0.986 175.571 174.600 -0.025 0.000 1.168 359 S CA -0.685 57.500 58.200 -0.024 0.000 0.963 359 S CB 1.006 64.190 63.200 -0.026 0.000 1.078 359 S HN 0.827 nan 8.310 nan 0.000 0.477 360 I N 0.620 121.190 120.570 -0.000 0.000 2.546 360 I HA 0.094 4.276 4.170 0.020 0.000 0.255 360 I C 1.800 177.938 176.117 0.036 0.000 1.163 360 I CA 1.037 62.348 61.300 0.019 0.000 1.457 360 I CB -0.278 37.737 38.000 0.026 0.000 1.092 360 I HN 0.605 nan 8.210 nan 0.000 0.434 361 D N 2.186 122.607 120.400 0.034 0.000 2.126 361 D HA -0.322 4.330 4.640 0.020 0.000 0.190 361 D C 1.182 177.501 176.300 0.033 0.000 1.001 361 D CA 1.978 56.016 54.000 0.063 0.000 0.841 361 D CB -0.247 40.595 40.800 0.069 0.000 0.949 361 D HN 0.555 nan 8.370 nan 0.000 0.446 362 N N -0.159 118.474 118.700 -0.110 0.000 2.776 362 N HA -0.203 4.549 4.740 0.020 0.000 0.249 362 N C 0.084 175.503 175.510 -0.152 0.000 1.111 362 N CA 1.052 53.923 53.050 -0.298 0.000 0.711 362 N CB -1.427 36.524 38.487 -0.894 0.000 1.065 362 N HN 0.263 nan 8.380 nan 0.000 0.556 363 D N -0.398 119.971 120.400 -0.052 0.000 2.137 363 D HA 0.019 4.671 4.640 0.020 0.000 0.202 363 D C 0.929 177.198 176.300 -0.052 0.000 0.970 363 D CA 0.533 54.521 54.000 -0.019 0.000 0.837 363 D CB 0.034 40.854 40.800 0.033 0.000 0.981 363 D HN 0.450 nan 8.370 nan 0.000 0.475 364 M N 1.095 120.660 119.600 -0.060 0.000 2.255 364 M HA -0.013 4.478 4.480 0.020 0.000 0.356 364 M C -0.574 175.694 176.300 -0.054 0.000 1.338 364 M CA 0.003 55.270 55.300 -0.055 0.000 0.962 364 M CB 0.032 32.601 32.600 -0.050 0.000 1.877 364 M HN 0.094 nan 8.290 nan 0.000 0.463 365 C N 4.082 123.356 119.300 -0.042 0.000 2.604 365 C HA 0.607 5.079 4.460 0.020 0.000 0.396 365 C C 1.633 176.610 174.990 -0.021 0.000 1.282 365 C CA 0.492 59.491 59.018 -0.033 0.000 2.292 365 C CB 0.019 27.741 27.740 -0.030 0.000 2.633 365 C HN 1.108 nan 8.230 nan 0.000 0.620 366 G N 1.733 110.527 108.800 -0.010 0.000 2.225 366 G HA2 -0.203 3.769 3.960 0.020 0.000 0.254 366 G HA3 -0.203 3.769 3.960 0.020 0.000 0.254 366 G C 0.219 175.122 174.900 0.006 0.000 0.988 366 G CA 0.573 45.673 45.100 0.000 0.000 0.625 366 G HN 0.915 nan 8.290 nan 0.000 0.527 367 T N -0.125 114.428 114.554 -0.002 0.000 2.829 367 T HA 0.548 4.910 4.350 0.020 0.000 0.280 367 T C 0.763 175.468 174.700 0.008 0.000 0.999 367 T CA 0.199 62.303 62.100 0.007 0.000 0.983 367 T CB 1.335 70.198 68.868 -0.007 0.000 0.968 367 T HN -0.021 nan 8.240 nan 0.000 0.446 368 D N 1.968 122.395 120.400 0.046 0.000 2.224 368 D HA 0.077 4.728 4.640 0.020 0.000 0.205 368 D C 0.505 176.815 176.300 0.017 0.000 0.965 368 D CA 0.950 54.988 54.000 0.063 0.000 0.852 368 D CB 0.243 41.109 40.800 0.110 0.000 0.947 368 D HN 0.619 nan 8.370 nan 0.000 0.494 369 S N -1.626 114.093 115.700 0.032 0.000 2.535 369 S HA 0.516 4.998 4.470 0.020 0.000 0.272 369 S C -0.401 174.200 174.600 0.001 0.000 1.149 369 S CA -1.036 57.153 58.200 -0.020 0.000 0.888 369 S CB 1.867 65.243 63.200 0.293 0.000 1.110 369 S HN 0.029 nan 8.310 nan 0.000 0.463 370 T N -0.435 114.057 114.554 -0.102 0.000 2.929 370 T HA 0.684 5.046 4.350 0.020 0.000 0.284 370 T C 0.205 174.892 174.700 -0.022 0.000 1.014 370 T CA -1.026 61.033 62.100 -0.068 0.000 1.051 370 T CB 0.285 69.089 68.868 -0.108 0.000 1.028 370 T HN 0.669 nan 8.240 nan 0.000 0.485 371 I N 2.362 122.911 120.570 -0.036 0.000 2.664 371 I HA 0.374 4.556 4.170 0.020 0.000 0.284 371 I C 1.595 177.706 176.117 -0.010 0.000 1.154 371 I CA 0.921 62.201 61.300 -0.034 0.000 1.402 371 I CB -0.267 37.688 38.000 -0.075 0.000 1.395 371 I HN 1.150 nan 8.210 nan 0.000 0.545 372 G N 4.158 112.980 108.800 0.036 0.000 2.307 372 G HA2 -0.273 3.698 3.960 0.020 0.000 0.210 372 G HA3 -0.273 3.698 3.960 0.020 0.000 0.210 372 G C 1.067 176.015 174.900 0.080 0.000 1.005 372 G CA 0.346 45.473 45.100 0.046 0.000 0.634 372 G HN 0.744 nan 8.290 nan 0.000 0.496 373 A N 0.139 122.988 122.820 0.048 0.000 1.873 373 A HA 0.086 4.418 4.320 0.020 0.000 0.218 373 A C 1.991 179.679 177.584 0.174 0.000 1.193 373 A CA 2.385 54.426 52.037 0.005 0.000 0.629 373 A CB -0.702 18.067 19.000 -0.384 0.000 0.826 373 A HN 0.794 nan 8.150 nan 0.000 0.447 374 Y N 0.583 121.067 120.300 0.306 0.000 2.242 374 Y HA -0.137 4.424 4.550 0.018 0.000 0.291 374 Y C 3.065 179.097 175.900 0.220 0.000 1.137 374 Y CA 1.507 59.816 58.100 0.348 0.000 1.181 374 Y CB -0.294 38.389 38.460 0.371 0.000 0.989 374 Y HN 0.283 nan 8.280 nan 0.000 0.527 375 S N -1.051 114.825 115.700 0.293 0.000 2.368 375 S HA -0.223 4.259 4.470 0.020 0.000 0.225 375 S C 2.284 176.959 174.600 0.125 0.000 1.030 375 S CA 1.360 59.666 58.200 0.178 0.000 0.999 375 S CB -0.570 62.704 63.200 0.123 0.000 0.844 375 S HN 0.432 nan 8.310 nan 0.000 0.459 376 S N 1.151 116.920 115.700 0.114 0.000 2.368 376 S HA -0.066 4.415 4.470 0.020 0.000 0.225 376 S C 1.846 176.492 174.600 0.077 0.000 1.030 376 S CA 0.960 59.206 58.200 0.077 0.000 0.999 376 S CB -0.448 62.797 63.200 0.074 0.000 0.844 376 S HN 0.359 nan 8.310 nan 0.000 0.459 377 L N 2.144 123.430 121.223 0.106 0.000 2.079 377 L HA -0.039 4.313 4.340 0.020 0.000 0.210 377 L C 2.288 179.186 176.870 0.046 0.000 1.081 377 L CA 1.951 56.818 54.840 0.045 0.000 0.752 377 L CB -0.832 41.227 42.059 0.000 0.000 0.896 377 L HN 0.204 nan 8.230 nan 0.000 0.433 378 E N -0.198 120.056 120.200 0.090 0.000 2.077 378 E HA -0.184 4.178 4.350 0.020 0.000 0.193 378 E C 2.279 178.904 176.600 0.041 0.000 0.989 378 E CA 0.873 57.315 56.400 0.071 0.000 0.800 378 E CB -0.218 29.539 29.700 0.094 0.000 0.746 378 E HN 0.493 nan 8.360 nan 0.000 0.452 379 R N 0.411 120.938 120.500 0.044 0.000 2.081 379 R HA -0.071 4.281 4.340 0.020 0.000 0.235 379 R C 2.559 178.878 176.300 0.032 0.000 1.131 379 R CA 0.719 56.840 56.100 0.036 0.000 0.960 379 R CB -0.905 29.413 30.300 0.031 0.000 0.856 379 R HN 0.275 nan 8.270 nan 0.000 0.436 380 I N 0.614 121.198 120.570 0.024 0.000 2.099 380 I HA -0.291 3.891 4.170 0.020 0.000 0.239 380 I C 2.202 178.326 176.117 0.012 0.000 1.066 380 I CA 1.231 62.541 61.300 0.017 0.000 1.324 380 I CB -0.395 37.604 38.000 -0.002 0.000 1.037 380 I HN -0.037 nan 8.210 nan 0.000 0.401 381 I N 0.550 121.120 120.570 0.001 0.000 2.208 381 I HA -0.299 3.883 4.170 0.020 0.000 0.245 381 I C 2.555 178.649 176.117 -0.039 0.000 1.097 381 I CA 1.543 62.837 61.300 -0.010 0.000 1.363 381 I CB -0.650 37.346 38.000 -0.006 0.000 1.051 381 I HN 0.236 nan 8.210 nan 0.000 0.413 382 E N 0.226 120.403 120.200 -0.038 0.000 2.070 382 E HA -0.236 4.126 4.350 0.020 0.000 0.197 382 E C 2.292 178.841 176.600 -0.085 0.000 1.004 382 E CA 1.429 57.778 56.400 -0.085 0.000 0.805 382 E CB -0.194 29.503 29.700 -0.005 0.000 0.744 382 E HN 0.415 nan 8.360 nan 0.000 0.451 383 L N 0.179 121.430 121.223 0.046 0.000 2.044 383 L HA -0.131 4.221 4.340 0.020 0.000 0.205 383 L C 2.603 179.525 176.870 0.088 0.000 1.075 383 L CA 0.805 55.731 54.840 0.142 0.000 0.747 383 L CB -0.593 41.532 42.059 0.110 0.000 0.903 383 L HN 0.053 nan 8.230 nan 0.000 0.435 384 V N -0.206 119.727 119.914 0.032 0.000 2.594 384 V HA -0.254 3.877 4.120 0.020 0.000 0.253 384 V C 1.972 178.063 176.094 -0.006 0.000 1.069 384 V CA 1.535 63.848 62.300 0.021 0.000 1.082 384 V CB -0.643 31.203 31.823 0.039 0.000 0.680 384 V HN 0.382 nan 8.190 nan 0.000 0.469 385 D N -0.794 119.564 120.400 -0.069 0.000 2.144 385 D HA -0.140 4.512 4.640 0.020 0.000 0.199 385 D C 2.023 178.234 176.300 -0.149 0.000 0.984 385 D CA 1.275 55.188 54.000 -0.144 0.000 0.834 385 D CB -0.230 40.425 40.800 -0.242 0.000 0.955 385 D HN 0.507 nan 8.370 nan 0.000 0.465 386 Y N 0.781 121.052 120.300 -0.048 0.000 2.133 386 Y HA -0.035 4.526 4.550 0.019 0.000 0.287 386 Y C 2.403 178.238 175.900 -0.108 0.000 1.134 386 Y CA 0.381 58.444 58.100 -0.062 0.000 1.133 386 Y CB -0.595 37.834 38.460 -0.051 0.000 0.987 386 Y HN -0.037 nan 8.280 nan 0.000 0.502 387 I N 0.073 120.645 120.570 0.003 0.000 2.145 387 I HA -0.378 3.804 4.170 0.020 0.000 0.244 387 I C 1.790 177.768 176.117 -0.232 0.000 1.075 387 I CA 1.832 62.987 61.300 -0.242 0.000 1.332 387 I CB -0.401 37.409 38.000 -0.317 0.000 1.033 387 I HN 0.241 nan 8.210 nan 0.000 0.410 388 D N 1.120 121.466 120.400 -0.090 0.000 2.178 388 D HA -0.053 4.599 4.640 0.020 0.000 0.202 388 D C 1.452 177.748 176.300 -0.006 0.000 0.974 388 D CA 1.025 55.017 54.000 -0.012 0.000 0.841 388 D CB -0.132 40.707 40.800 0.065 0.000 0.953 388 D HN 0.296 nan 8.370 nan 0.000 0.478 389 A N 1.081 123.893 122.820 -0.012 0.000 3.029 389 A HA 0.338 4.670 4.320 0.020 0.000 0.251 389 A C 0.168 177.768 177.584 0.027 0.000 1.749 389 A CA -0.069 51.974 52.037 0.009 0.000 1.386 389 A CB -0.922 18.084 19.000 0.010 0.000 1.043 389 A HN 0.137 nan 8.150 nan 0.000 0.638 390 T N -2.249 112.319 114.554 0.023 0.000 2.900 390 T HA 0.688 5.050 4.350 0.020 0.000 0.303 390 T C -0.251 174.481 174.700 0.054 0.000 1.142 390 T CA -0.156 61.965 62.100 0.036 0.000 1.007 390 T CB 1.570 70.454 68.868 0.027 0.000 1.156 390 T HN 0.860 nan 8.240 nan 0.000 0.490 391 A N 1.692 124.548 122.820 0.060 0.000 2.454 391 A HA 0.699 5.030 4.320 0.020 0.000 0.260 391 A C 0.956 178.590 177.584 0.085 0.000 1.106 391 A CA -0.306 51.772 52.037 0.068 0.000 0.780 391 A CB -0.665 18.371 19.000 0.061 0.000 1.044 391 A HN 1.548 nan 8.150 nan 0.000 0.498 392 A N 3.210 126.085 122.820 0.092 0.000 2.587 392 A HA 0.446 4.778 4.320 0.020 0.000 0.233 392 A C 0.769 178.414 177.584 0.101 0.000 1.049 392 A CA 0.616 52.716 52.037 0.105 0.000 0.754 392 A CB -0.244 18.808 19.000 0.086 0.000 0.977 392 A HN 1.071 nan 8.150 nan 0.000 0.509 393 S N 0.467 116.232 115.700 0.109 0.000 2.578 393 S HA 0.375 4.857 4.470 0.020 0.000 0.301 393 S C 1.017 175.663 174.600 0.077 0.000 1.091 393 S CA -0.559 57.705 58.200 0.106 0.000 1.032 393 S CB 1.190 64.458 63.200 0.113 0.000 1.064 393 S HN 0.779 nan 8.310 nan 0.000 0.508 394 H N 1.692 120.783 119.070 0.035 0.000 2.387 394 H HA -0.005 4.562 4.556 0.020 0.000 0.299 394 H C -0.059 175.272 175.328 0.006 0.000 1.099 394 H CA 1.296 57.356 56.048 0.020 0.000 1.315 394 H CB 0.294 30.065 29.762 0.015 0.000 1.380 394 H HN 0.465 nan 8.280 nan 0.000 0.513 395 S N 0.931 116.657 115.700 0.044 0.000 2.399 395 S HA 0.319 4.801 4.470 0.020 0.000 0.198 395 S C -0.318 174.246 174.600 -0.060 0.000 1.294 395 S CA -0.562 57.634 58.200 -0.008 0.000 1.237 395 S CB 1.039 64.264 63.200 0.043 0.000 1.286 395 S HN 0.185 nan 8.310 nan 0.000 0.404 396 R N 1.471 121.906 120.500 -0.107 0.000 2.664 396 R HA 0.870 5.221 4.340 0.020 0.000 0.286 396 R C -0.631 175.416 176.300 -0.422 0.000 0.967 396 R CA -0.509 55.440 56.100 -0.252 0.000 0.933 396 R CB 1.971 32.169 30.300 -0.169 0.000 1.146 396 R HN 0.436 nan 8.270 nan 0.000 0.468 397 A N 2.311 124.703 122.820 -0.714 0.000 2.515 397 A HA 0.796 5.128 4.320 0.020 0.000 0.298 397 A C -1.569 175.429 177.584 -0.976 0.000 1.059 397 A CA -0.628 51.029 52.037 -0.633 0.000 0.698 397 A CB 1.234 20.077 19.000 -0.261 0.000 1.289 397 A HN 0.508 nan 8.150 nan 0.000 0.404 398 F N 0.661 120.647 119.950 0.060 0.000 2.561 398 F HA 0.568 5.107 4.527 0.020 0.000 0.313 398 F C -0.244 175.600 175.800 0.074 0.000 1.126 398 F CA -0.861 57.177 58.000 0.063 0.000 0.918 398 F CB 2.384 41.422 39.000 0.064 0.000 1.199 398 F HN 0.289 nan 8.300 nan 0.000 0.444 399 V N 3.802 123.849 119.914 0.223 0.000 2.384 399 V HA 0.533 4.665 4.120 0.020 0.000 0.287 399 V C -0.602 175.579 176.094 0.146 0.000 1.020 399 V CA -0.842 61.556 62.300 0.163 0.000 0.850 399 V CB 1.765 33.655 31.823 0.113 0.000 0.987 399 V HN 0.527 nan 8.190 nan 0.000 0.436 400 V N 3.859 123.851 119.914 0.131 0.000 2.313 400 V HA 0.350 4.482 4.120 0.020 0.000 0.278 400 V C 0.063 176.199 176.094 0.070 0.000 1.017 400 V CA -0.651 61.706 62.300 0.095 0.000 0.823 400 V CB 1.327 33.202 31.823 0.087 0.000 1.010 400 V HN 0.959 nan 8.190 nan 0.000 0.443 401 E N 4.691 124.922 120.200 0.052 0.000 2.070 401 E HA 0.369 4.731 4.350 0.020 0.000 0.282 401 E C -0.696 175.920 176.600 0.027 0.000 1.104 401 E CA -0.021 56.397 56.400 0.030 0.000 0.876 401 E CB 0.993 30.704 29.700 0.017 0.000 1.055 401 E HN 0.470 nan 8.360 nan 0.000 0.401 402 V N 5.867 125.794 119.914 0.022 0.000 2.617 402 V HA 0.314 4.446 4.120 0.020 0.000 0.298 402 V C 0.635 176.737 176.094 0.013 0.000 1.048 402 V CA -0.592 61.718 62.300 0.017 0.000 0.964 402 V CB 1.544 33.372 31.823 0.007 0.000 1.004 402 V HN 0.822 nan 8.190 nan 0.000 0.466 403 M N 2.334 121.945 119.600 0.018 0.000 2.267 403 M HA 0.642 5.134 4.480 0.020 0.000 0.303 403 M C 0.499 176.815 176.300 0.026 0.000 1.164 403 M CA 0.278 55.589 55.300 0.018 0.000 1.060 403 M CB 1.533 34.146 32.600 0.022 0.000 1.455 403 M HN 0.895 nan 8.290 nan 0.000 0.483 404 G N -0.023 108.791 108.800 0.023 0.000 2.491 404 G HA2 0.091 4.063 3.960 0.020 0.000 0.508 404 G HA3 0.091 4.063 3.960 0.020 0.000 0.508 404 G C -0.007 174.890 174.900 -0.004 0.000 1.143 404 G CA -0.143 44.980 45.100 0.038 0.000 1.277 404 G HN 0.928 nan 8.290 nan 0.000 0.599 405 R N 0.598 121.065 120.500 -0.054 0.000 2.075 405 R HA -0.003 4.348 4.340 0.020 0.000 0.232 405 R C 1.773 177.842 176.300 -0.386 0.000 1.126 405 R CA 2.241 58.199 56.100 -0.236 0.000 0.963 405 R CB -0.773 29.335 30.300 -0.320 0.000 0.858 405 R HN 0.793 nan 8.270 nan 0.000 0.435 406 H N -2.833 116.256 119.070 0.032 0.000 2.705 406 H HA 0.293 4.861 4.556 0.019 0.000 0.269 406 H C -0.195 175.151 175.328 0.030 0.000 0.998 406 H CA 0.101 56.164 56.048 0.026 0.000 1.193 406 H CB 0.243 30.015 29.762 0.016 0.000 1.485 406 H HN 0.469 nan 8.280 nan 0.000 0.521 407 C N 0.400 119.779 119.300 0.132 0.000 2.686 407 C HA 0.539 5.011 4.460 0.020 0.000 0.318 407 C C 1.665 176.775 174.990 0.200 0.000 1.160 407 C CA -0.399 58.709 59.018 0.151 0.000 1.396 407 C CB 0.790 28.625 27.740 0.158 0.000 1.924 407 C HN 0.522 nan 8.230 nan 0.000 0.471 408 G N 2.003 110.961 108.800 0.263 0.000 3.026 408 G HA2 -0.038 3.934 3.960 0.020 0.000 0.208 408 G HA3 -0.038 3.934 3.960 0.020 0.000 0.208 408 G C 0.916 175.944 174.900 0.213 0.000 1.169 408 G CA 0.318 45.552 45.100 0.223 0.000 0.788 408 G HN 0.954 nan 8.290 nan 0.000 0.533 409 W N 0.856 122.273 121.300 0.195 0.000 2.333 409 W HA -0.108 4.564 4.660 0.020 0.000 0.316 409 W C 2.119 178.554 176.519 -0.139 0.000 1.215 409 W CA 1.326 58.664 57.345 -0.012 0.000 1.278 409 W CB -0.148 29.374 29.460 0.104 0.000 1.154 409 W HN 0.152 nan 8.180 nan 0.000 0.486 410 L N 0.220 121.530 121.223 0.145 0.000 2.017 410 L HA -0.144 4.208 4.340 0.020 0.000 0.208 410 L C 2.736 179.475 176.870 -0.219 0.000 1.073 410 L CA 1.592 56.386 54.840 -0.076 0.000 0.745 410 L CB -1.576 40.533 42.059 0.084 0.000 0.894 410 L HN 0.237 nan 8.230 nan 0.000 0.432 411 G N -0.146 108.564 108.800 -0.151 0.000 2.446 411 G HA2 -0.266 3.706 3.960 0.020 0.000 0.217 411 G HA3 -0.266 3.706 3.960 0.020 0.000 0.217 411 G C 1.628 176.319 174.900 -0.348 0.000 1.168 411 G CA 0.713 45.701 45.100 -0.187 0.000 0.771 411 G HN 0.228 nan 8.290 nan 0.000 0.551 412 L N -0.100 120.853 121.223 -0.451 0.000 1.970 412 L HA -0.102 4.250 4.340 0.020 0.000 0.212 412 L C 3.095 179.607 176.870 -0.597 0.000 1.071 412 L CA 1.427 55.898 54.840 -0.616 0.000 0.751 412 L CB -0.208 41.430 42.059 -0.702 0.000 0.889 412 L HN 0.178 nan 8.230 nan 0.000 0.432 413 M N -0.985 118.203 119.600 -0.687 0.000 2.149 413 M HA -0.180 4.312 4.480 0.020 0.000 0.261 413 M C 2.406 178.466 176.300 -0.400 0.000 1.064 413 M CA 1.507 56.418 55.300 -0.648 0.000 1.102 413 M CB -1.326 30.615 32.600 -1.099 0.000 1.369 413 M HN 0.220 nan 8.290 nan 0.000 0.408 414 S N 0.724 116.217 115.700 -0.345 0.000 2.382 414 S HA -0.066 4.416 4.470 0.020 0.000 0.228 414 S C 2.091 176.600 174.600 -0.152 0.000 1.027 414 S CA 1.328 59.411 58.200 -0.195 0.000 0.991 414 S CB -0.813 62.298 63.200 -0.149 0.000 0.823 414 S HN 0.673 nan 8.310 nan 0.000 0.469 415 G N 1.951 110.601 108.800 -0.251 0.000 2.459 415 G HA2 -0.189 3.783 3.960 0.020 0.000 0.217 415 G HA3 -0.189 3.783 3.960 0.020 0.000 0.217 415 G C 1.324 176.265 174.900 0.068 0.000 1.183 415 G CA 0.980 45.965 45.100 -0.192 0.000 0.776 415 G HN 0.478 nan 8.290 nan 0.000 0.552 416 I N 1.521 122.092 120.570 0.001 0.000 2.090 416 I HA -0.170 4.012 4.170 0.020 0.000 0.236 416 I C 3.335 179.458 176.117 0.010 0.000 1.064 416 I CA 1.212 62.548 61.300 0.059 0.000 1.324 416 I CB -0.486 37.505 38.000 -0.015 0.000 1.044 416 I HN 0.227 nan 8.210 nan 0.000 0.399 417 A N 0.353 123.155 122.820 -0.031 0.000 1.997 417 A HA -0.280 4.052 4.320 0.020 0.000 0.221 417 A C 2.282 179.918 177.584 0.087 0.000 1.172 417 A CA 2.755 54.800 52.037 0.013 0.000 0.645 417 A CB -1.176 17.807 19.000 -0.027 0.000 0.813 417 A HN 0.614 nan 8.150 nan 0.000 0.454 418 T N -5.352 109.226 114.554 0.040 0.000 3.023 418 T HA 0.423 4.785 4.350 0.020 0.000 0.253 418 T C 1.199 175.747 174.700 -0.254 0.000 1.038 418 T CA 1.054 63.180 62.100 0.043 0.000 0.962 418 T CB 0.040 68.942 68.868 0.057 0.000 1.018 418 T HN 1.830 nan 8.240 nan 0.000 0.521 419 G N 1.826 110.503 108.800 -0.204 0.000 2.295 419 G HA2 0.020 3.992 3.960 0.020 0.000 0.287 419 G HA3 0.020 3.992 3.960 0.020 0.000 0.287 419 G C 0.279 175.086 174.900 -0.156 0.000 1.055 419 G CA -0.062 44.879 45.100 -0.265 0.000 0.922 419 G HN 1.203 nan 8.290 nan 0.000 0.503 420 A N -0.643 122.195 122.820 0.029 0.000 2.483 420 A HA 0.525 4.856 4.320 0.020 0.000 0.238 420 A C 1.235 178.881 177.584 0.103 0.000 1.070 420 A CA 0.990 53.093 52.037 0.110 0.000 0.770 420 A CB 0.336 19.445 19.000 0.182 0.000 1.008 420 A HN 0.357 nan 8.150 nan 0.000 0.497 421 D N -0.771 119.698 120.400 0.115 0.000 2.103 421 D HA 0.057 4.709 4.640 0.020 0.000 0.199 421 D C -0.039 176.427 176.300 0.277 0.000 0.978 421 D CA 2.024 56.115 54.000 0.152 0.000 0.829 421 D CB -0.012 40.936 40.800 0.247 0.000 0.981 421 D HN 0.575 nan 8.370 nan 0.000 0.464 422 Y N -0.761 119.642 120.300 0.172 0.000 2.553 422 Y HA 0.458 5.019 4.550 0.019 0.000 0.347 422 Y C -1.335 174.613 175.900 0.079 0.000 1.019 422 Y CA -1.368 56.806 58.100 0.124 0.000 1.032 422 Y CB 1.429 39.900 38.460 0.017 0.000 1.284 422 Y HN -0.165 nan 8.280 nan 0.000 0.466 423 I N 0.121 120.599 120.570 -0.152 0.000 2.828 423 I HA 0.629 4.811 4.170 0.020 0.000 0.302 423 I C -2.057 173.830 176.117 -0.384 0.000 1.101 423 I CA -0.897 60.288 61.300 -0.192 0.000 1.031 423 I CB 2.526 40.286 38.000 -0.401 0.000 1.231 423 I HN 0.401 nan 8.210 nan 0.000 0.427 424 F N 5.719 125.652 119.950 -0.029 0.000 2.403 424 F HA 0.650 5.189 4.527 0.019 0.000 0.355 424 F C -0.103 175.630 175.800 -0.111 0.000 1.119 424 F CA -0.636 57.328 58.000 -0.059 0.000 1.007 424 F CB 1.774 40.729 39.000 -0.075 0.000 1.194 424 F HN 0.441 nan 8.300 nan 0.000 0.443 425 I N 1.469 122.030 120.570 -0.014 0.000 2.608 425 I HA 0.567 4.748 4.170 0.020 0.000 0.295 425 I C -2.485 173.598 176.117 -0.058 0.000 1.049 425 I CA -2.631 58.642 61.300 -0.044 0.000 1.063 425 I CB 2.508 40.452 38.000 -0.093 0.000 1.248 425 I HN 0.152 nan 8.210 nan 0.000 0.424 426 P HA -0.130 nan 4.420 nan 0.000 0.220 426 P C 0.970 178.239 177.300 -0.051 0.000 1.148 426 P CA 1.219 64.291 63.100 -0.047 0.000 0.803 426 P CB 0.088 31.794 31.700 0.009 0.000 0.782 427 E N 0.016 120.197 120.200 -0.031 0.000 2.072 427 E HA -0.121 4.241 4.350 0.020 0.000 0.191 427 E C 1.058 177.630 176.600 -0.047 0.000 0.985 427 E CA 0.999 57.385 56.400 -0.023 0.000 0.801 427 E CB -0.396 29.253 29.700 -0.084 0.000 0.750 427 E HN 0.282 nan 8.360 nan 0.000 0.452 428 R N 1.684 122.099 120.500 -0.142 0.000 2.651 428 R HA 0.247 4.599 4.340 0.020 0.000 0.282 428 R C -2.461 173.742 176.300 -0.163 0.000 1.565 428 R CA -1.523 54.510 56.100 -0.112 0.000 1.661 428 R CB 1.272 31.565 30.300 -0.011 0.000 1.189 428 R HN 0.087 nan 8.270 nan 0.000 0.621 429 P HA 0.242 nan 4.420 nan 0.000 0.274 429 P C -2.626 174.586 177.300 -0.147 0.000 1.231 429 P CA -1.369 61.549 63.100 -0.303 0.000 0.790 429 P CB 0.773 32.125 31.700 -0.580 0.000 0.951 430 P HA 0.114 nan 4.420 nan 0.000 0.278 430 P C -0.151 177.235 177.300 0.142 0.000 1.266 430 P CA -0.454 62.717 63.100 0.119 0.000 0.807 430 P CB 0.202 32.071 31.700 0.281 0.000 1.094 431 S N -0.811 115.010 115.700 0.201 0.000 2.568 431 S HA 0.002 4.484 4.470 0.020 0.000 0.282 431 S C 1.221 176.000 174.600 0.298 0.000 1.338 431 S CA 0.072 58.391 58.200 0.199 0.000 1.045 431 S CB 0.063 63.361 63.200 0.163 0.000 0.873 431 S HN 0.588 nan 8.310 nan 0.000 0.516 432 E N 2.413 122.759 120.200 0.244 0.000 2.106 432 E HA -0.159 4.203 4.350 0.020 0.000 0.192 432 E C 1.880 178.612 176.600 0.220 0.000 0.984 432 E CA 1.270 57.849 56.400 0.297 0.000 0.806 432 E CB -0.545 29.272 29.700 0.196 0.000 0.750 432 E HN 0.805 nan 8.360 nan 0.000 0.458 433 S N 1.274 117.057 115.700 0.138 0.000 2.356 433 S HA -0.125 4.356 4.470 0.020 0.000 0.223 433 S C 1.371 175.983 174.600 0.019 0.000 1.032 433 S CA 1.158 59.397 58.200 0.065 0.000 1.005 433 S CB -0.287 62.949 63.200 0.060 0.000 0.867 433 S HN 0.278 nan 8.310 nan 0.000 0.449 434 N N 0.274 119.011 118.700 0.061 0.000 2.536 434 N HA 0.166 4.917 4.740 0.020 0.000 0.286 434 N C 0.678 176.231 175.510 0.071 0.000 1.577 434 N CA 0.062 53.118 53.050 0.011 0.000 0.883 434 N CB 0.368 38.866 38.487 0.019 0.000 1.390 434 N HN 0.752 nan 8.380 nan 0.000 0.491 435 W N 1.456 122.792 121.300 0.059 0.000 2.418 435 W HA 0.040 4.712 4.660 0.020 0.000 0.292 435 W C 0.902 177.430 176.519 0.015 0.000 1.213 435 W CA 0.412 57.808 57.345 0.085 0.000 1.283 435 W CB -0.416 29.149 29.460 0.174 0.000 1.119 435 W HN -0.068 nan 8.180 nan 0.000 0.542 436 K N 0.817 120.860 120.400 -0.595 0.000 2.057 436 K HA -0.143 4.189 4.320 0.020 0.000 0.207 436 K C 1.613 178.053 176.600 -0.266 0.000 1.049 436 K CA 1.923 57.824 56.287 -0.644 0.000 0.931 436 K CB -0.385 31.605 32.500 -0.849 0.000 0.714 436 K HN 0.067 nan 8.250 nan 0.000 0.440 437 D N 0.917 121.204 120.400 -0.190 0.000 2.183 437 D HA -0.134 4.517 4.640 0.020 0.000 0.203 437 D C 1.550 177.820 176.300 -0.051 0.000 0.969 437 D CA 1.120 55.057 54.000 -0.105 0.000 0.842 437 D CB -0.030 40.720 40.800 -0.084 0.000 0.957 437 D HN 0.211 nan 8.370 nan 0.000 0.484 438 D N 0.705 121.105 120.400 -0.000 0.000 2.162 438 D HA -0.057 4.595 4.640 0.020 0.000 0.203 438 D C 2.244 178.554 176.300 0.017 0.000 0.967 438 D CA 0.221 54.257 54.000 0.059 0.000 0.840 438 D CB -0.071 40.830 40.800 0.168 0.000 0.972 438 D HN 0.073 nan 8.370 nan 0.000 0.482 439 L N 0.277 121.422 121.223 -0.129 0.000 1.989 439 L HA -0.209 4.143 4.340 0.020 0.000 0.211 439 L C 2.293 179.088 176.870 -0.125 0.000 1.071 439 L CA 1.468 56.112 54.840 -0.326 0.000 0.749 439 L CB -0.221 41.688 42.059 -0.250 0.000 0.890 439 L HN 0.048 nan 8.230 nan 0.000 0.431 440 K N 0.039 120.382 120.400 -0.096 0.000 2.044 440 K HA -0.262 4.069 4.320 0.020 0.000 0.210 440 K C 2.386 178.945 176.600 -0.067 0.000 1.049 440 K CA 2.276 58.518 56.287 -0.075 0.000 0.927 440 K CB -0.434 32.017 32.500 -0.082 0.000 0.713 440 K HN 0.330 nan 8.250 nan 0.000 0.443 441 K N 1.301 121.665 120.400 -0.060 0.000 1.977 441 K HA -0.171 4.161 4.320 0.020 0.000 0.218 441 K C 2.239 178.775 176.600 -0.106 0.000 1.051 441 K CA 2.238 58.485 56.287 -0.067 0.000 0.953 441 K CB -1.557 30.919 32.500 -0.041 0.000 0.727 441 K HN 0.048 nan 8.250 nan 0.000 0.445 442 V N 0.913 120.779 119.914 -0.080 0.000 2.250 442 V HA -0.394 3.737 4.120 0.020 0.000 0.250 442 V C 2.774 178.712 176.094 -0.260 0.000 1.060 442 V CA 2.286 64.495 62.300 -0.151 0.000 1.030 442 V CB -1.000 30.886 31.823 0.105 0.000 0.643 442 V HN 0.762 nan 8.190 nan 0.000 0.445 443 C N -0.512 118.752 119.300 -0.060 0.000 2.436 443 C HA -0.128 4.344 4.460 0.020 0.000 0.277 443 C C 2.658 177.618 174.990 -0.050 0.000 1.241 443 C CA 1.067 60.089 59.018 0.005 0.000 1.721 443 C CB -1.194 26.559 27.740 0.021 0.000 2.043 443 C HN 0.542 nan 8.230 nan 0.000 0.472 444 L N 0.399 121.573 121.223 -0.081 0.000 2.191 444 L HA -0.145 4.206 4.340 0.020 0.000 0.212 444 L C 2.826 179.625 176.870 -0.117 0.000 1.103 444 L CA 1.316 56.107 54.840 -0.082 0.000 0.769 444 L CB -0.609 41.406 42.059 -0.073 0.000 0.908 444 L HN 0.369 nan 8.230 nan 0.000 0.438 445 R N -0.921 119.459 120.500 -0.200 0.000 2.073 445 R HA -0.175 4.177 4.340 0.020 0.000 0.234 445 R C 2.429 178.588 176.300 -0.234 0.000 1.134 445 R CA 1.452 57.398 56.100 -0.256 0.000 0.952 445 R CB -0.168 29.916 30.300 -0.360 0.000 0.850 445 R HN 0.403 nan 8.270 nan 0.000 0.433 446 H N 0.160 119.161 119.070 -0.115 0.000 2.357 446 H HA -0.014 4.553 4.556 0.020 0.000 0.301 446 H C 2.180 177.440 175.328 -0.113 0.000 1.082 446 H CA 1.224 57.195 56.048 -0.129 0.000 1.342 446 H CB -0.199 29.507 29.762 -0.093 0.000 1.389 446 H HN 0.218 nan 8.280 nan 0.000 0.511 447 R N 0.591 121.103 120.500 0.020 0.000 2.105 447 R HA -0.160 4.192 4.340 0.020 0.000 0.239 447 R C 2.290 178.558 176.300 -0.054 0.000 1.135 447 R CA 1.422 57.505 56.100 -0.028 0.000 0.967 447 R CB -0.085 30.191 30.300 -0.041 0.000 0.861 447 R HN 0.325 nan 8.270 nan 0.000 0.442 448 E N 1.260 121.418 120.200 -0.069 0.000 2.051 448 E HA -0.196 4.166 4.350 0.020 0.000 0.192 448 E C 1.513 178.057 176.600 -0.093 0.000 0.991 448 E CA 1.577 57.930 56.400 -0.078 0.000 0.799 448 E CB -0.008 29.634 29.700 -0.097 0.000 0.748 448 E HN -0.068 nan 8.360 nan 0.000 0.449 449 K N -1.452 118.868 120.400 -0.133 0.000 2.555 449 K HA 0.123 4.455 4.320 0.020 0.000 0.193 449 K C 0.802 177.348 176.600 -0.090 0.000 1.032 449 K CA 0.822 56.995 56.287 -0.191 0.000 1.004 449 K CB 0.178 32.445 32.500 -0.388 0.000 0.804 449 K HN 0.352 nan 8.250 nan 0.000 0.496 450 G N -0.169 108.601 108.800 -0.050 0.000 2.336 450 G HA2 -0.237 3.735 3.960 0.020 0.000 0.194 450 G HA3 -0.237 3.735 3.960 0.020 0.000 0.194 450 G C -0.137 174.751 174.900 -0.019 0.000 0.999 450 G CA -0.197 44.891 45.100 -0.020 0.000 0.669 450 G HN 0.273 nan 8.290 nan 0.000 0.482 451 R N 0.946 121.437 120.500 -0.015 0.000 2.484 451 R HA 0.358 4.709 4.340 0.020 0.000 0.293 451 R C 1.124 177.412 176.300 -0.021 0.000 1.023 451 R CA 0.107 56.204 56.100 -0.005 0.000 1.037 451 R CB 0.236 30.541 30.300 0.008 0.000 0.951 451 R HN 0.135 nan 8.270 nan 0.000 0.418 452 R N 3.145 123.640 120.500 -0.007 0.000 2.476 452 R HA 0.086 4.438 4.340 0.020 0.000 0.276 452 R C -0.106 176.221 176.300 0.045 0.000 0.941 452 R CA 0.240 56.325 56.100 -0.026 0.000 1.088 452 R CB 0.679 30.952 30.300 -0.044 0.000 1.216 452 R HN 0.498 nan 8.270 nan 0.000 0.533 453 K N 1.476 121.934 120.400 0.097 0.000 2.901 453 K HA 0.221 4.553 4.320 0.020 0.000 0.199 453 K C -0.653 176.056 176.600 0.182 0.000 1.140 453 K CA -0.092 56.320 56.287 0.208 0.000 1.030 453 K CB 1.211 33.839 32.500 0.213 0.000 1.437 453 K HN -0.188 nan 8.250 nan 0.000 0.552 454 T N 1.966 116.580 114.554 0.099 0.000 2.793 454 T HA 0.022 4.383 4.350 0.020 0.000 0.289 454 T C 0.190 174.976 174.700 0.143 0.000 0.956 454 T CA 0.475 62.623 62.100 0.080 0.000 1.177 454 T CB 0.262 69.141 68.868 0.019 0.000 0.897 454 T HN 0.200 nan 8.240 nan 0.000 0.533 455 T N 3.563 118.217 114.554 0.166 0.000 2.812 455 T HA 0.548 4.910 4.350 0.020 0.000 0.282 455 T C -0.289 174.525 174.700 0.190 0.000 0.990 455 T CA -0.644 61.578 62.100 0.204 0.000 0.960 455 T CB 1.428 70.410 68.868 0.190 0.000 0.948 455 T HN 0.317 nan 8.240 nan 0.000 0.438 456 V N 3.935 123.975 119.914 0.209 0.000 2.680 456 V HA 0.582 4.714 4.120 0.020 0.000 0.309 456 V C -0.511 175.717 176.094 0.225 0.000 1.052 456 V CA -0.889 61.564 62.300 0.254 0.000 0.908 456 V CB 1.942 33.945 31.823 0.300 0.000 1.001 456 V HN 0.813 nan 8.190 nan 0.000 0.431 457 I N 3.978 124.682 120.570 0.223 0.000 2.382 457 I HA 0.451 4.633 4.170 0.020 0.000 0.286 457 I C -0.665 175.585 176.117 0.222 0.000 1.002 457 I CA -0.512 60.879 61.300 0.152 0.000 1.135 457 I CB 1.952 39.979 38.000 0.046 0.000 1.288 457 I HN 0.302 nan 8.210 nan 0.000 0.448 458 V N 6.367 126.379 119.914 0.163 0.000 2.347 458 V HA 0.598 4.730 4.120 0.020 0.000 0.280 458 V C 0.599 176.719 176.094 0.043 0.000 1.021 458 V CA -0.692 61.680 62.300 0.119 0.000 0.847 458 V CB 1.246 33.052 31.823 -0.028 0.000 0.990 458 V HN 0.806 nan 8.190 nan 0.000 0.444 459 A N 3.107 125.953 122.820 0.043 0.000 2.366 459 A HA 0.326 4.658 4.320 0.020 0.000 0.249 459 A C 1.328 178.900 177.584 -0.019 0.000 1.084 459 A CA 0.101 52.144 52.037 0.009 0.000 0.794 459 A CB 0.235 19.242 19.000 0.011 0.000 1.034 459 A HN 0.991 nan 8.150 nan 0.000 0.491 460 E N 1.056 121.244 120.200 -0.020 0.000 2.085 460 E HA -0.163 4.199 4.350 0.020 0.000 0.194 460 E C 1.484 178.049 176.600 -0.059 0.000 0.994 460 E CA 1.531 57.909 56.400 -0.036 0.000 0.801 460 E CB -0.260 29.421 29.700 -0.031 0.000 0.743 460 E HN 0.784 nan 8.360 nan 0.000 0.453 461 G N -0.104 108.658 108.800 -0.063 0.000 3.314 461 G HA2 0.336 4.308 3.960 0.020 0.000 0.238 461 G HA3 0.336 4.308 3.960 0.020 0.000 0.238 461 G C 0.141 175.003 174.900 -0.063 0.000 1.184 461 G CA 0.166 45.221 45.100 -0.075 0.000 0.806 461 G HN 0.385 nan 8.290 nan 0.000 0.536 462 A N 0.727 123.507 122.820 -0.067 0.000 2.567 462 A HA 0.474 4.806 4.320 0.020 0.000 0.240 462 A C 0.318 177.821 177.584 -0.136 0.000 1.053 462 A CA 0.393 52.381 52.037 -0.082 0.000 0.755 462 A CB -0.333 18.596 19.000 -0.119 0.000 0.978 462 A HN 0.882 nan 8.150 nan 0.000 0.507 463 I N -1.047 119.444 120.570 -0.132 0.000 3.279 463 I HA 0.738 4.920 4.170 0.020 0.000 0.315 463 I C -0.978 175.025 176.117 -0.190 0.000 1.187 463 I CA -1.347 59.863 61.300 -0.150 0.000 0.953 463 I CB 2.366 40.314 38.000 -0.088 0.000 1.279 463 I HN 0.566 nan 8.210 nan 0.000 0.465 464 D N 0.055 120.359 120.400 -0.160 0.000 2.326 464 D HA 0.220 4.871 4.640 0.020 0.000 0.251 464 D C 0.329 176.567 176.300 -0.104 0.000 1.023 464 D CA -0.500 53.429 54.000 -0.118 0.000 0.966 464 D CB 0.884 41.682 40.800 -0.004 0.000 1.156 464 D HN 0.711 nan 8.370 nan 0.000 0.494 465 D N -0.581 119.775 120.400 -0.073 0.000 2.389 465 D HA -0.229 4.423 4.640 0.020 0.000 0.221 465 D C 0.944 177.408 176.300 0.273 0.000 0.974 465 D CA 0.913 54.931 54.000 0.031 0.000 0.923 465 D CB -0.153 40.725 40.800 0.129 0.000 0.892 465 D HN 0.305 nan 8.370 nan 0.000 0.518 466 Q N -0.714 119.189 119.800 0.172 0.000 2.201 466 Q HA 0.302 4.653 4.340 0.020 0.000 0.217 466 Q C 0.760 176.847 176.000 0.146 0.000 0.860 466 Q CA -0.358 55.544 55.803 0.165 0.000 0.984 466 Q CB 0.005 28.818 28.738 0.125 0.000 1.095 466 Q HN 0.123 nan 8.270 nan 0.000 0.477 467 L N -0.573 120.751 121.223 0.169 0.000 5.051 467 L HA -0.282 4.070 4.340 0.020 0.000 0.432 467 L C -0.779 176.127 176.870 0.060 0.000 1.055 467 L CA 0.800 55.719 54.840 0.132 0.000 1.095 467 L CB -1.633 40.511 42.059 0.141 0.000 1.957 467 L HN 0.440 nan 8.230 nan 0.000 0.727 468 N N 2.875 121.604 118.700 0.047 0.000 2.497 468 N HA 0.254 5.006 4.740 0.020 0.000 0.268 468 N C -2.028 173.467 175.510 -0.024 0.000 1.171 468 N CA -0.844 52.222 53.050 0.026 0.000 0.948 468 N CB 0.661 39.181 38.487 0.055 0.000 1.069 468 N HN 0.251 nan 8.380 nan 0.000 0.460 469 P HA 0.193 nan 4.420 nan 0.000 0.272 469 P C -0.246 176.969 177.300 -0.141 0.000 1.223 469 P CA 0.017 63.066 63.100 -0.086 0.000 0.784 469 P CB 0.960 32.624 31.700 -0.060 0.000 0.923 470 I N 1.921 122.336 120.570 -0.259 0.000 2.390 470 I HA 0.169 4.350 4.170 0.020 0.000 0.283 470 I C 1.116 177.023 176.117 -0.350 0.000 1.016 470 I CA -0.508 60.533 61.300 -0.430 0.000 1.151 470 I CB 1.271 38.714 38.000 -0.927 0.000 1.293 470 I HN 0.309 nan 8.210 nan 0.000 0.458 471 T N 0.878 115.311 114.554 -0.201 0.000 2.868 471 T HA 0.110 4.472 4.350 0.020 0.000 0.292 471 T C 1.338 175.946 174.700 -0.152 0.000 1.028 471 T CA -0.320 61.698 62.100 -0.137 0.000 1.059 471 T CB 1.518 70.349 68.868 -0.061 0.000 0.991 471 T HN 0.636 nan 8.240 nan 0.000 0.531 472 S N -0.076 115.563 115.700 -0.101 0.000 2.423 472 S HA -0.120 4.362 4.470 0.020 0.000 0.231 472 S C 1.750 176.339 174.600 -0.019 0.000 1.014 472 S CA 0.860 59.022 58.200 -0.064 0.000 0.965 472 S CB -0.581 62.607 63.200 -0.020 0.000 0.785 472 S HN 0.791 nan 8.310 nan 0.000 0.495 473 E N 1.733 121.927 120.200 -0.011 0.000 2.106 473 E HA -0.065 4.297 4.350 0.020 0.000 0.192 473 E C 1.966 178.581 176.600 0.026 0.000 0.984 473 E CA 1.399 57.805 56.400 0.009 0.000 0.806 473 E CB -0.374 29.330 29.700 0.007 0.000 0.750 473 E HN 0.740 nan 8.360 nan 0.000 0.458 474 E N -0.698 119.524 120.200 0.037 0.000 2.058 474 E HA -0.168 4.193 4.350 0.020 0.000 0.194 474 E C 2.075 178.781 176.600 0.176 0.000 0.997 474 E CA 1.565 58.034 56.400 0.115 0.000 0.801 474 E CB -0.009 29.800 29.700 0.182 0.000 0.746 474 E HN 0.115 nan 8.360 nan 0.000 0.450 475 V N 1.740 121.741 119.914 0.144 0.000 2.343 475 V HA -0.284 3.848 4.120 0.020 0.000 0.247 475 V C 2.396 178.553 176.094 0.106 0.000 1.051 475 V CA 1.731 64.135 62.300 0.172 0.000 1.036 475 V CB -0.564 31.282 31.823 0.038 0.000 0.654 475 V HN 0.240 nan 8.190 nan 0.000 0.451 476 K N 0.255 120.690 120.400 0.059 0.000 2.020 476 K HA -0.274 4.058 4.320 0.020 0.000 0.212 476 K C 1.886 178.495 176.600 0.016 0.000 1.050 476 K CA 2.301 58.608 56.287 0.033 0.000 0.929 476 K CB -0.488 32.027 32.500 0.025 0.000 0.714 476 K HN 0.476 nan 8.250 nan 0.000 0.443 477 D N 0.556 120.965 120.400 0.015 0.000 2.149 477 D HA -0.150 4.502 4.640 0.020 0.000 0.198 477 D C 2.053 178.335 176.300 -0.030 0.000 0.990 477 D CA 1.112 55.107 54.000 -0.008 0.000 0.839 477 D CB -0.330 40.466 40.800 -0.007 0.000 0.948 477 D HN 0.084 nan 8.370 nan 0.000 0.460 478 V N 1.198 121.094 119.914 -0.029 0.000 2.261 478 V HA -0.231 3.900 4.120 0.020 0.000 0.246 478 V C 2.686 178.750 176.094 -0.050 0.000 1.047 478 V CA 1.309 63.566 62.300 -0.073 0.000 1.015 478 V CB -0.667 31.103 31.823 -0.089 0.000 0.642 478 V HN 0.180 nan 8.190 nan 0.000 0.446 479 L N -0.407 120.804 121.223 -0.019 0.000 2.131 479 L HA -0.119 4.233 4.340 0.020 0.000 0.210 479 L C 2.457 179.303 176.870 -0.040 0.000 1.092 479 L CA 0.819 55.643 54.840 -0.027 0.000 0.759 479 L CB -0.729 41.321 42.059 -0.015 0.000 0.903 479 L HN 0.185 nan 8.230 nan 0.000 0.435 480 V N 0.868 120.761 119.914 -0.035 0.000 2.427 480 V HA -0.242 3.890 4.120 0.020 0.000 0.248 480 V C 2.410 178.482 176.094 -0.037 0.000 1.051 480 V CA 2.015 64.294 62.300 -0.036 0.000 1.048 480 V CB -0.550 31.257 31.823 -0.027 0.000 0.666 480 V HN 0.657 nan 8.190 nan 0.000 0.456 481 E N -0.366 119.808 120.200 -0.042 0.000 2.516 481 E HA -0.099 4.263 4.350 0.020 0.000 0.199 481 E C 1.461 178.033 176.600 -0.046 0.000 1.069 481 E CA 0.500 56.873 56.400 -0.045 0.000 0.876 481 E CB -0.011 29.656 29.700 -0.055 0.000 0.843 481 E HN 0.444 nan 8.360 nan 0.000 0.530 482 I N 1.004 121.547 120.570 -0.045 0.000 3.956 482 I HA 0.175 4.357 4.170 0.020 0.000 0.333 482 I C 1.276 177.372 176.117 -0.034 0.000 1.302 482 I CA 0.685 61.960 61.300 -0.043 0.000 1.122 482 I CB -0.135 37.836 38.000 -0.048 0.000 1.013 482 I HN 0.363 nan 8.210 nan 0.000 0.405 483 G N 1.596 110.377 108.800 -0.032 0.000 2.137 483 G HA2 -0.233 3.739 3.960 0.020 0.000 0.237 483 G HA3 -0.233 3.739 3.960 0.020 0.000 0.237 483 G C 0.117 175.001 174.900 -0.028 0.000 1.002 483 G CA -0.177 44.909 45.100 -0.023 0.000 0.702 483 G HN 0.306 nan 8.290 nan 0.000 0.515 484 L N 0.411 121.607 121.223 -0.045 0.000 2.307 484 L HA 0.473 4.825 4.340 0.020 0.000 0.284 484 L C -0.051 176.771 176.870 -0.080 0.000 1.023 484 L CA -1.028 53.770 54.840 -0.070 0.000 0.810 484 L CB 1.637 43.641 42.059 -0.092 0.000 1.231 484 L HN 0.101 nan 8.230 nan 0.000 0.423 485 D N 2.249 122.594 120.400 -0.091 0.000 2.383 485 D HA 0.096 4.748 4.640 0.020 0.000 0.245 485 D C -0.407 175.801 176.300 -0.152 0.000 1.263 485 D CA 0.038 53.987 54.000 -0.084 0.000 0.936 485 D CB 0.589 41.361 40.800 -0.048 0.000 1.053 485 D HN 0.384 nan 8.370 nan 0.000 0.507 486 T N 4.524 119.011 114.554 -0.112 0.000 2.845 486 T HA 0.432 4.794 4.350 0.020 0.000 0.288 486 T C 0.314 174.995 174.700 -0.031 0.000 0.980 486 T CA -0.746 61.284 62.100 -0.116 0.000 1.071 486 T CB 1.253 70.082 68.868 -0.065 0.000 0.941 486 T HN 0.136 nan 8.240 nan 0.000 0.487 487 R N 2.366 122.883 120.500 0.029 0.000 2.435 487 R HA 0.405 4.757 4.340 0.020 0.000 0.308 487 R C -0.804 175.596 176.300 0.168 0.000 0.975 487 R CA -0.720 55.467 56.100 0.145 0.000 0.867 487 R CB 1.088 31.565 30.300 0.294 0.000 1.171 487 R HN 0.583 nan 8.270 nan 0.000 0.470 488 I N 1.694 122.328 120.570 0.107 0.000 2.575 488 I HA 0.144 4.326 4.170 0.020 0.000 0.285 488 I C 0.650 176.824 176.117 0.095 0.000 1.085 488 I CA 0.630 61.987 61.300 0.094 0.000 1.403 488 I CB 0.989 39.025 38.000 0.059 0.000 1.409 488 I HN 0.305 nan 8.210 nan 0.000 0.557 489 T N 6.030 120.639 114.554 0.092 0.000 2.930 489 T HA 0.402 4.764 4.350 0.020 0.000 0.313 489 T C -0.228 174.508 174.700 0.059 0.000 1.019 489 T CA -0.722 61.422 62.100 0.074 0.000 1.004 489 T CB 0.455 69.371 68.868 0.079 0.000 0.987 489 T HN 0.397 nan 8.240 nan 0.000 0.456 490 R N 3.164 123.693 120.500 0.048 0.000 2.207 490 R HA 0.349 4.701 4.340 0.020 0.000 0.334 490 R C 1.071 177.396 176.300 0.042 0.000 1.013 490 R CA -0.763 55.361 56.100 0.040 0.000 0.858 490 R CB 0.808 31.128 30.300 0.033 0.000 1.094 490 R HN 0.400 nan 8.270 nan 0.000 0.457 491 L N 2.186 123.434 121.223 0.041 0.000 2.046 491 L HA -0.100 4.252 4.340 0.020 0.000 0.208 491 L C 1.461 178.358 176.870 0.046 0.000 1.077 491 L CA 2.291 57.157 54.840 0.042 0.000 0.747 491 L CB -1.283 40.797 42.059 0.035 0.000 0.896 491 L HN 1.025 nan 8.230 nan 0.000 0.432 492 G N -0.713 108.116 108.800 0.048 0.000 2.582 492 G HA2 -0.452 3.519 3.960 0.020 0.000 0.288 492 G HA3 -0.452 3.519 3.960 0.020 0.000 0.288 492 G C 0.778 175.731 174.900 0.088 0.000 1.247 492 G CA 0.898 46.040 45.100 0.071 0.000 0.972 492 G HN 0.493 nan 8.290 nan 0.000 0.557 493 H N 0.152 119.234 119.070 0.020 0.000 2.543 493 H HA 0.167 4.734 4.556 0.018 0.000 0.286 493 H C 2.647 177.990 175.328 0.025 0.000 1.037 493 H CA 1.761 57.822 56.048 0.021 0.000 1.250 493 H CB -0.128 29.644 29.762 0.017 0.000 1.373 493 H HN 0.355 nan 8.280 nan 0.000 0.580 494 V N 0.202 120.135 119.914 0.031 0.000 2.380 494 V HA -0.315 3.816 4.120 0.020 0.000 0.251 494 V C 2.144 178.212 176.094 -0.043 0.000 1.063 494 V CA 2.147 64.451 62.300 0.007 0.000 1.055 494 V CB -0.431 31.415 31.823 0.038 0.000 0.657 494 V HN 0.571 nan 8.190 nan 0.000 0.455 495 Q N -0.909 118.860 119.800 -0.051 0.000 2.500 495 Q HA -0.084 4.267 4.340 0.020 0.000 0.213 495 Q C 2.101 178.046 176.000 -0.092 0.000 0.974 495 Q CA 0.787 56.563 55.803 -0.045 0.000 0.918 495 Q CB 0.065 28.794 28.738 -0.016 0.000 0.980 495 Q HN 0.632 nan 8.270 nan 0.000 0.505 496 R N -1.586 118.782 120.500 -0.220 0.000 2.373 496 R HA 0.195 4.547 4.340 0.020 0.000 0.221 496 R C 0.683 176.871 176.300 -0.187 0.000 0.893 496 R CA 0.236 56.188 56.100 -0.248 0.000 1.049 496 R CB 0.875 30.916 30.300 -0.431 0.000 1.119 496 R HN -0.024 nan 8.270 nan 0.000 0.535 497 G N 0.160 108.863 108.800 -0.161 0.000 2.491 497 G HA2 0.570 4.542 3.960 0.020 0.000 0.327 497 G HA3 0.570 4.542 3.960 0.020 0.000 0.327 497 G C -0.194 174.695 174.900 -0.018 0.000 1.189 497 G CA 0.018 45.082 45.100 -0.059 0.000 0.956 497 G HN 0.272 nan 8.290 nan 0.000 0.491 498 G N -1.625 107.177 108.800 0.002 0.000 2.663 498 G HA2 0.431 4.403 3.960 0.020 0.000 0.686 498 G HA3 0.431 4.403 3.960 0.020 0.000 0.686 498 G C 0.126 175.032 174.900 0.010 0.000 1.288 498 G CA -0.067 45.040 45.100 0.011 0.000 0.836 498 G HN 2.005 nan 8.290 nan 0.000 0.584 499 A N 1.702 124.529 122.820 0.012 0.000 2.462 499 A HA 0.682 5.014 4.320 0.020 0.000 0.243 499 A C -0.955 176.643 177.584 0.022 0.000 1.076 499 A CA -0.014 52.030 52.037 0.011 0.000 0.773 499 A CB -0.175 18.831 19.000 0.010 0.000 1.010 499 A HN 0.869 nan 8.150 nan 0.000 0.493 500 P HA 0.199 nan 4.420 nan 0.000 0.269 500 P C 0.418 177.755 177.300 0.062 0.000 1.215 500 P CA -0.316 62.807 63.100 0.039 0.000 0.780 500 P CB 0.139 31.850 31.700 0.018 0.000 0.898 501 C N 0.072 119.433 119.300 0.101 0.000 2.633 501 C HA 0.539 5.011 4.460 0.020 0.000 0.345 501 C C 2.266 177.333 174.990 0.129 0.000 1.384 501 C CA 0.171 59.260 59.018 0.119 0.000 2.418 501 C CB -0.821 27.018 27.740 0.166 0.000 2.425 501 C HN 0.714 nan 8.230 nan 0.000 0.705 502 A N 0.759 123.653 122.820 0.122 0.000 1.873 502 A HA -0.156 4.175 4.320 0.020 0.000 0.218 502 A C 1.946 179.686 177.584 0.260 0.000 1.193 502 A CA 2.223 54.342 52.037 0.137 0.000 0.629 502 A CB -1.164 17.855 19.000 0.032 0.000 0.826 502 A HN 1.141 nan 8.150 nan 0.000 0.447 503 F N 0.775 120.800 119.950 0.125 0.000 2.102 503 F HA -0.207 4.333 4.527 0.022 0.000 0.298 503 F C 1.991 177.955 175.800 0.273 0.000 1.105 503 F CA 2.109 60.230 58.000 0.203 0.000 1.239 503 F CB -0.119 38.873 39.000 -0.012 0.000 0.991 503 F HN 0.230 nan 8.300 nan 0.000 0.474 504 D N 0.280 120.708 120.400 0.047 0.000 2.123 504 D HA -0.171 4.481 4.640 0.020 0.000 0.196 504 D C 2.349 178.584 176.300 -0.107 0.000 0.992 504 D CA 1.276 55.233 54.000 -0.072 0.000 0.833 504 D CB -0.312 40.527 40.800 0.066 0.000 0.954 504 D HN 0.329 nan 8.370 nan 0.000 0.455 505 R N -0.276 120.219 120.500 -0.008 0.000 2.083 505 R HA -0.154 4.198 4.340 0.020 0.000 0.237 505 R C 2.335 178.605 176.300 -0.050 0.000 1.137 505 R CA 1.262 57.353 56.100 -0.015 0.000 0.951 505 R CB -0.531 29.796 30.300 0.045 0.000 0.851 505 R HN 0.249 nan 8.270 nan 0.000 0.434 506 F N 1.062 120.924 119.950 -0.147 0.000 2.084 506 F HA -0.173 4.366 4.527 0.021 0.000 0.296 506 F C 1.951 177.566 175.800 -0.309 0.000 1.111 506 F CA 1.218 59.076 58.000 -0.237 0.000 1.224 506 F CB -0.539 38.319 39.000 -0.236 0.000 0.991 506 F HN -0.063 nan 8.300 nan 0.000 0.471 507 L N 1.227 121.992 121.223 -0.763 0.000 2.012 507 L HA -0.092 4.260 4.340 0.020 0.000 0.210 507 L C 2.483 179.029 176.870 -0.540 0.000 1.073 507 L CA 2.244 56.575 54.840 -0.849 0.000 0.748 507 L CB -1.365 40.219 42.059 -0.792 0.000 0.891 507 L HN 0.279 nan 8.230 nan 0.000 0.431 508 A N -2.300 120.300 122.820 -0.366 0.000 1.929 508 A HA -0.142 4.190 4.320 0.020 0.000 0.216 508 A C 2.304 179.733 177.584 -0.258 0.000 1.176 508 A CA 1.967 53.851 52.037 -0.255 0.000 0.628 508 A CB -1.043 17.851 19.000 -0.178 0.000 0.816 508 A HN 0.469 nan 8.150 nan 0.000 0.444 509 T N -0.501 113.884 114.554 -0.282 0.000 2.737 509 T HA -0.101 4.261 4.350 0.020 0.000 0.265 509 T C 1.909 176.445 174.700 -0.273 0.000 1.038 509 T CA 1.663 63.616 62.100 -0.246 0.000 1.144 509 T CB -0.301 68.444 68.868 -0.205 0.000 0.866 509 T HN 0.124 nan 8.240 nan 0.000 0.434 510 V N 1.328 120.998 119.914 -0.406 0.000 2.307 510 V HA -0.174 3.957 4.120 0.020 0.000 0.245 510 V C 2.603 178.526 176.094 -0.284 0.000 1.045 510 V CA 1.689 63.753 62.300 -0.392 0.000 1.024 510 V CB -0.567 30.853 31.823 -0.671 0.000 0.651 510 V HN 0.505 nan 8.190 nan 0.000 0.449 511 Q N -0.251 119.368 119.800 -0.302 0.000 2.167 511 Q HA -0.119 4.233 4.340 0.020 0.000 0.202 511 Q C 2.341 178.250 176.000 -0.152 0.000 0.970 511 Q CA 1.496 57.178 55.803 -0.201 0.000 0.855 511 Q CB -0.475 28.148 28.738 -0.191 0.000 0.911 511 Q HN 0.736 nan 8.270 nan 0.000 0.438 512 G N 0.181 108.884 108.800 -0.162 0.000 2.418 512 G HA2 -0.216 3.756 3.960 0.020 0.000 0.217 512 G HA3 -0.216 3.756 3.960 0.020 0.000 0.217 512 G C 1.489 176.334 174.900 -0.091 0.000 1.158 512 G CA 0.786 45.811 45.100 -0.125 0.000 0.771 512 G HN 0.201 nan 8.290 nan 0.000 0.545 513 V N 1.003 120.861 119.914 -0.094 0.000 2.307 513 V HA -0.157 3.975 4.120 0.020 0.000 0.245 513 V C 2.452 178.532 176.094 -0.024 0.000 1.045 513 V CA 2.308 64.585 62.300 -0.038 0.000 1.024 513 V CB -0.440 31.353 31.823 -0.050 0.000 0.651 513 V HN 0.396 nan 8.190 nan 0.000 0.449 514 D N -0.122 120.241 120.400 -0.062 0.000 2.144 514 D HA -0.132 4.520 4.640 0.020 0.000 0.199 514 D C 2.124 178.388 176.300 -0.061 0.000 0.984 514 D CA 1.321 55.285 54.000 -0.060 0.000 0.834 514 D CB -0.131 40.628 40.800 -0.070 0.000 0.955 514 D HN 0.385 nan 8.370 nan 0.000 0.465 515 A N -0.238 122.544 122.820 -0.064 0.000 1.883 515 A HA -0.167 4.164 4.320 0.020 0.000 0.217 515 A C 2.457 180.011 177.584 -0.049 0.000 1.186 515 A CA 1.667 53.669 52.037 -0.059 0.000 0.624 515 A CB -0.914 18.047 19.000 -0.065 0.000 0.822 515 A HN 0.205 nan 8.150 nan 0.000 0.444 516 V N -0.156 119.740 119.914 -0.030 0.000 2.343 516 V HA -0.285 3.847 4.120 0.020 0.000 0.247 516 V C 2.653 178.709 176.094 -0.063 0.000 1.051 516 V CA 2.329 64.624 62.300 -0.008 0.000 1.036 516 V CB -0.842 31.023 31.823 0.071 0.000 0.654 516 V HN 0.532 nan 8.190 nan 0.000 0.451 517 R N 0.186 120.629 120.500 -0.095 0.000 2.073 517 R HA -0.125 4.226 4.340 0.020 0.000 0.234 517 R C 2.472 178.694 176.300 -0.130 0.000 1.134 517 R CA 1.538 57.532 56.100 -0.177 0.000 0.952 517 R CB -0.729 29.484 30.300 -0.145 0.000 0.850 517 R HN 0.518 nan 8.270 nan 0.000 0.433 518 A N 0.617 123.384 122.820 -0.089 0.000 1.986 518 A HA -0.149 4.183 4.320 0.020 0.000 0.220 518 A C 2.327 179.867 177.584 -0.073 0.000 1.171 518 A CA 1.550 53.543 52.037 -0.073 0.000 0.640 518 A CB -0.527 18.437 19.000 -0.060 0.000 0.811 518 A HN 0.142 nan 8.150 nan 0.000 0.451 519 V N -0.114 119.757 119.914 -0.072 0.000 2.270 519 V HA -0.236 3.896 4.120 0.020 0.000 0.245 519 V C 2.561 178.612 176.094 -0.072 0.000 1.043 519 V CA 2.001 64.262 62.300 -0.064 0.000 1.014 519 V CB -0.759 31.035 31.823 -0.047 0.000 0.645 519 V HN 0.591 nan 8.190 nan 0.000 0.447 520 L N -0.210 120.957 121.223 -0.093 0.000 2.017 520 L HA -0.167 4.185 4.340 0.020 0.000 0.208 520 L C 2.286 179.097 176.870 -0.097 0.000 1.073 520 L CA 1.675 56.453 54.840 -0.104 0.000 0.745 520 L CB -0.756 41.201 42.059 -0.170 0.000 0.894 520 L HN 0.328 nan 8.230 nan 0.000 0.432 521 E N -0.322 119.815 120.200 -0.104 0.000 2.515 521 E HA -0.048 4.314 4.350 0.020 0.000 0.201 521 E C 0.813 177.374 176.600 -0.065 0.000 1.071 521 E CA -0.099 56.251 56.400 -0.084 0.000 0.880 521 E CB 0.063 29.712 29.700 -0.085 0.000 0.828 521 E HN 0.248 nan 8.360 nan 0.000 0.540 522 S N 0.666 116.327 115.700 -0.065 0.000 2.617 522 S HA 0.302 4.784 4.470 0.020 0.000 0.269 522 S C -0.075 174.493 174.600 -0.053 0.000 1.292 522 S CA -0.317 57.848 58.200 -0.058 0.000 1.010 522 S CB 0.876 64.037 63.200 -0.065 0.000 0.944 522 S HN 0.209 nan 8.310 nan 0.000 0.536 523 T N 1.231 115.756 114.554 -0.049 0.000 2.840 523 T HA 0.459 4.821 4.350 0.020 0.000 0.317 523 T C -2.684 171.990 174.700 -0.043 0.000 1.401 523 T CA -1.177 60.897 62.100 -0.044 0.000 1.028 523 T CB 0.928 69.774 68.868 -0.035 0.000 1.317 523 T HN 0.272 nan 8.240 nan 0.000 0.495 524 P HA 0.036 nan 4.420 nan 0.000 0.221 524 P C 1.553 178.837 177.300 -0.027 0.000 1.145 524 P CA 1.185 64.264 63.100 -0.036 0.000 0.795 524 P CB -0.192 31.491 31.700 -0.028 0.000 0.775 525 A N -0.742 122.064 122.820 -0.024 0.000 1.930 525 A HA -0.074 4.258 4.320 0.020 0.000 0.217 525 A C 1.242 178.814 177.584 -0.021 0.000 1.175 525 A CA 0.592 52.618 52.037 -0.019 0.000 0.627 525 A CB -1.130 17.860 19.000 -0.017 0.000 0.815 525 A HN 0.203 nan 8.150 nan 0.000 0.443 526 I N 2.340 122.894 120.570 -0.026 0.000 2.322 526 I HA 0.252 4.433 4.170 0.020 0.000 0.292 526 I C -2.022 174.077 176.117 -0.031 0.000 1.060 526 I CA -2.623 58.660 61.300 -0.027 0.000 1.309 526 I CB 0.911 38.893 38.000 -0.030 0.000 1.415 526 I HN 0.111 nan 8.210 nan 0.000 0.492 527 P HA 0.049 nan 4.420 nan 0.000 0.269 527 P C -0.528 176.754 177.300 -0.031 0.000 1.215 527 P CA -0.233 62.852 63.100 -0.025 0.000 0.780 527 P CB 0.406 32.096 31.700 -0.017 0.000 0.898 528 S N 3.779 119.459 115.700 -0.034 0.000 2.555 528 S HA 0.134 4.615 4.470 0.020 0.000 0.293 528 S C -1.618 172.968 174.600 -0.024 0.000 1.248 528 S CA -0.271 57.908 58.200 -0.036 0.000 1.096 528 S CB -0.615 62.564 63.200 -0.035 0.000 0.881 528 S HN 0.450 nan 8.310 nan 0.000 0.498 529 P HA 0.525 nan 4.420 nan 0.000 0.289 529 P C -1.188 176.099 177.300 -0.021 0.000 1.300 529 P CA -0.772 62.313 63.100 -0.023 0.000 0.828 529 P CB 0.894 32.577 31.700 -0.029 0.000 1.235 530 V N 1.576 121.477 119.914 -0.021 0.000 2.407 530 V HA 0.212 4.344 4.120 0.020 0.000 0.291 530 V C 0.193 176.270 176.094 -0.029 0.000 1.018 530 V CA -0.764 61.522 62.300 -0.023 0.000 0.842 530 V CB 1.247 33.059 31.823 -0.018 0.000 0.996 530 V HN 0.331 nan 8.190 nan 0.000 0.426 531 I N 4.339 124.885 120.570 -0.040 0.000 2.494 531 I HA 0.261 4.443 4.170 0.020 0.000 0.289 531 I C 0.712 176.804 176.117 -0.042 0.000 1.106 531 I CA 0.914 62.187 61.300 -0.046 0.000 1.369 531 I CB -0.054 37.907 38.000 -0.064 0.000 1.410 531 I HN 0.553 nan 8.210 nan 0.000 0.523 532 S N 6.789 122.473 115.700 -0.027 0.000 2.689 532 S HA 0.717 5.199 4.470 0.020 0.000 0.306 532 S C -0.356 174.248 174.600 0.008 0.000 1.104 532 S CA -0.654 57.539 58.200 -0.011 0.000 0.973 532 S CB 2.861 66.060 63.200 -0.002 0.000 1.121 532 S HN 0.558 nan 8.310 nan 0.000 0.523 533 I N 1.408 122.001 120.570 0.040 0.000 2.465 533 I HA 0.481 4.662 4.170 0.020 0.000 0.291 533 I C -0.825 175.348 176.117 0.093 0.000 1.014 533 I CA -0.467 60.885 61.300 0.087 0.000 1.093 533 I CB 0.847 38.942 38.000 0.158 0.000 1.267 533 I HN 0.652 nan 8.210 nan 0.000 0.431 534 L N 4.725 126.004 121.223 0.094 0.000 3.635 534 L HA 0.405 4.757 4.340 0.020 0.000 0.185 534 L C 0.353 177.279 176.870 0.094 0.000 1.293 534 L CA -0.436 54.455 54.840 0.084 0.000 1.200 534 L CB -0.044 42.052 42.059 0.063 0.000 1.655 534 L HN 0.450 nan 8.230 nan 0.000 0.762 535 E N 1.771 122.023 120.200 0.087 0.000 2.341 535 E HA 0.102 4.464 4.350 0.020 0.000 0.279 535 E C -0.619 176.040 176.600 0.099 0.000 1.395 535 E CA -0.061 56.389 56.400 0.084 0.000 1.648 535 E CB 0.003 29.745 29.700 0.070 0.000 1.524 535 E HN 0.303 nan 8.360 nan 0.000 0.462 536 N N 1.090 119.868 118.700 0.131 0.000 2.878 536 N HA -0.157 4.595 4.740 0.020 0.000 0.247 536 N C -0.797 174.835 175.510 0.203 0.000 1.021 536 N CA 1.108 54.268 53.050 0.184 0.000 0.873 536 N CB -0.610 37.961 38.487 0.139 0.000 1.128 536 N HN 0.213 nan 8.380 nan 0.000 0.571 537 K N 0.601 121.092 120.400 0.151 0.000 2.244 537 K HA 0.454 4.786 4.320 0.020 0.000 0.260 537 K C 0.267 176.926 176.600 0.098 0.000 0.951 537 K CA -0.558 55.801 56.287 0.121 0.000 0.826 537 K CB 1.321 33.873 32.500 0.087 0.000 1.108 537 K HN -0.014 nan 8.250 nan 0.000 0.433 538 I N 3.806 124.420 120.570 0.073 0.000 2.556 538 I HA 0.128 4.310 4.170 0.020 0.000 0.284 538 I C 0.013 176.141 176.117 0.018 0.000 1.114 538 I CA -0.139 61.177 61.300 0.025 0.000 1.418 538 I CB 0.490 38.478 38.000 -0.020 0.000 1.394 538 I HN 0.259 nan 8.210 nan 0.000 0.552 539 V N 7.600 127.521 119.914 0.011 0.000 2.962 539 V HA 0.461 4.593 4.120 0.020 0.000 0.313 539 V C 0.040 176.131 176.094 -0.006 0.000 1.099 539 V CA -0.998 61.306 62.300 0.008 0.000 0.971 539 V CB 2.769 34.604 31.823 0.020 0.000 1.028 539 V HN 0.605 nan 8.190 nan 0.000 0.430 540 R N 2.865 123.359 120.500 -0.009 0.000 2.278 540 R HA 0.431 4.783 4.340 0.020 0.000 0.322 540 R C -0.668 175.625 176.300 -0.011 0.000 1.058 540 R CA -0.572 55.518 56.100 -0.017 0.000 0.991 540 R CB 0.993 31.279 30.300 -0.023 0.000 1.140 540 R HN 0.604 nan 8.270 nan 0.000 0.518 541 Q N 2.799 122.593 119.800 -0.010 0.000 2.260 541 Q HA 0.313 4.665 4.340 0.020 0.000 0.242 541 Q C -2.263 173.731 176.000 -0.009 0.000 0.932 541 Q CA -2.160 53.639 55.803 -0.007 0.000 0.891 541 Q CB 1.193 29.928 28.738 -0.005 0.000 1.222 541 Q HN 0.280 nan 8.270 nan 0.000 0.453 542 P HA 0.109 nan 4.420 nan 0.000 0.281 542 P C 0.669 177.966 177.300 -0.005 0.000 1.252 542 P CA -0.166 62.930 63.100 -0.007 0.000 0.778 542 P CB 0.726 32.422 31.700 -0.006 0.000 0.895 543 L N 3.524 124.745 121.223 -0.003 0.000 2.043 543 L HA -0.224 4.128 4.340 0.020 0.000 0.212 543 L C 1.922 178.796 176.870 0.007 0.000 1.075 543 L CA 1.981 56.823 54.840 0.004 0.000 0.752 543 L CB -0.405 41.662 42.059 0.013 0.000 0.891 543 L HN 0.164 nan 8.230 nan 0.000 0.432 544 V N -1.495 118.423 119.914 0.006 0.000 2.255 544 V HA -0.314 3.817 4.120 0.020 0.000 0.247 544 V C 2.201 178.297 176.094 0.002 0.000 1.051 544 V CA 2.158 64.462 62.300 0.007 0.000 1.018 544 V CB -0.980 30.846 31.823 0.005 0.000 0.641 544 V HN 0.474 nan 8.190 nan 0.000 0.445 545 E N 0.697 120.896 120.200 -0.000 0.000 2.072 545 E HA -0.134 4.228 4.350 0.020 0.000 0.191 545 E C 2.475 179.072 176.600 -0.006 0.000 0.985 545 E CA 1.501 57.900 56.400 -0.003 0.000 0.801 545 E CB -0.225 29.474 29.700 -0.002 0.000 0.750 545 E HN 0.597 nan 8.360 nan 0.000 0.452 546 S N 0.360 116.056 115.700 -0.006 0.000 2.383 546 S HA -0.110 4.372 4.470 0.020 0.000 0.227 546 S C 2.162 176.754 174.600 -0.014 0.000 1.026 546 S CA 0.740 58.933 58.200 -0.011 0.000 0.981 546 S CB -0.021 63.173 63.200 -0.011 0.000 0.818 546 S HN 0.053 nan 8.310 nan 0.000 0.472 547 V N 1.760 121.669 119.914 -0.009 0.000 2.379 547 V HA -0.112 4.020 4.120 0.020 0.000 0.245 547 V C 2.590 178.675 176.094 -0.015 0.000 1.044 547 V CA 1.537 63.831 62.300 -0.010 0.000 1.036 547 V CB -1.105 30.720 31.823 0.003 0.000 0.664 547 V HN 0.516 nan 8.190 nan 0.000 0.453 548 A N -0.716 122.098 122.820 -0.010 0.000 1.877 548 A HA -0.282 4.050 4.320 0.020 0.000 0.216 548 A C 2.178 179.752 177.584 -0.016 0.000 1.186 548 A CA 1.946 53.976 52.037 -0.011 0.000 0.620 548 A CB -0.489 18.507 19.000 -0.007 0.000 0.822 548 A HN 0.592 nan 8.150 nan 0.000 0.443 549 Q N -1.527 118.263 119.800 -0.017 0.000 2.084 549 Q HA -0.140 4.211 4.340 0.020 0.000 0.202 549 Q C 2.257 178.239 176.000 -0.030 0.000 0.978 549 Q CA 1.843 57.633 55.803 -0.021 0.000 0.844 549 Q CB -0.376 28.351 28.738 -0.018 0.000 0.898 549 Q HN 0.647 nan 8.270 nan 0.000 0.426 550 T N 0.313 114.847 114.554 -0.034 0.000 2.867 550 T HA -0.119 4.243 4.350 0.020 0.000 0.268 550 T C 1.571 176.242 174.700 -0.048 0.000 1.057 550 T CA 1.139 63.212 62.100 -0.045 0.000 1.136 550 T CB 0.059 68.896 68.868 -0.051 0.000 0.874 550 T HN 0.139 nan 8.240 nan 0.000 0.466 551 K N 0.307 120.683 120.400 -0.040 0.000 2.097 551 K HA -0.062 4.270 4.320 0.020 0.000 0.205 551 K C 2.552 179.136 176.600 -0.027 0.000 1.050 551 K CA 1.701 57.967 56.287 -0.036 0.000 0.938 551 K CB -0.231 32.253 32.500 -0.027 0.000 0.718 551 K HN 0.512 nan 8.250 nan 0.000 0.442 552 T N -0.785 113.754 114.554 -0.026 0.000 2.915 552 T HA -0.104 4.258 4.350 0.020 0.000 0.269 552 T C 2.038 176.722 174.700 -0.026 0.000 1.071 552 T CA 1.202 63.288 62.100 -0.024 0.000 1.132 552 T CB -0.595 68.260 68.868 -0.022 0.000 0.878 552 T HN 0.111 nan 8.240 nan 0.000 0.479 553 V N 0.445 120.341 119.914 -0.030 0.000 2.379 553 V HA -0.041 4.091 4.120 0.020 0.000 0.245 553 V C 2.489 178.582 176.094 -0.003 0.000 1.044 553 V CA 1.835 64.118 62.300 -0.029 0.000 1.036 553 V CB -1.205 30.587 31.823 -0.052 0.000 0.664 553 V HN 0.473 nan 8.190 nan 0.000 0.453 554 S N 1.361 117.064 115.700 0.005 0.000 2.368 554 S HA -0.063 4.419 4.470 0.020 0.000 0.225 554 S C 2.295 176.910 174.600 0.025 0.000 1.030 554 S CA 1.741 59.963 58.200 0.036 0.000 0.999 554 S CB -0.774 62.434 63.200 0.013 0.000 0.844 554 S HN 0.987 nan 8.310 nan 0.000 0.459 555 A N 1.864 124.683 122.820 -0.001 0.000 1.877 555 A HA 0.093 4.425 4.320 0.020 0.000 0.216 555 A C 2.414 179.979 177.584 -0.031 0.000 1.186 555 A CA 1.779 53.808 52.037 -0.013 0.000 0.620 555 A CB -1.293 17.696 19.000 -0.019 0.000 0.822 555 A HN 0.520 nan 8.150 nan 0.000 0.443 556 A N 0.286 123.082 122.820 -0.039 0.000 1.873 556 A HA -0.147 4.185 4.320 0.020 0.000 0.218 556 A C 2.072 179.586 177.584 -0.116 0.000 1.193 556 A CA 1.810 53.803 52.037 -0.074 0.000 0.629 556 A CB -0.636 18.333 19.000 -0.052 0.000 0.826 556 A HN 0.460 nan 8.150 nan 0.000 0.447 557 I N -0.216 120.344 120.570 -0.017 0.000 2.127 557 I HA -0.247 3.935 4.170 0.020 0.000 0.241 557 I C 2.994 179.122 176.117 0.020 0.000 1.075 557 I CA 2.037 63.386 61.300 0.080 0.000 1.334 557 I CB -1.919 36.190 38.000 0.182 0.000 1.040 557 I HN 0.586 nan 8.210 nan 0.000 0.405 558 E N 1.283 121.496 120.200 0.022 0.000 2.171 558 E HA -0.120 4.242 4.350 0.020 0.000 0.197 558 E C 2.166 178.743 176.600 -0.037 0.000 0.997 558 E CA 1.567 57.976 56.400 0.016 0.000 0.810 558 E CB -0.727 28.985 29.700 0.020 0.000 0.738 558 E HN 0.624 nan 8.360 nan 0.000 0.467 559 A N -0.498 122.266 122.820 -0.094 0.000 2.278 559 A HA 0.295 4.627 4.320 0.020 0.000 0.212 559 A C 1.188 178.631 177.584 -0.234 0.000 1.213 559 A CA 0.868 52.830 52.037 -0.125 0.000 0.840 559 A CB -0.280 18.657 19.000 -0.106 0.000 0.866 559 A HN 0.425 nan 8.150 nan 0.000 0.489 560 K N -0.601 119.563 120.400 -0.393 0.000 3.130 560 K HA -0.199 4.133 4.320 0.020 0.000 0.282 560 K C -0.451 175.512 176.600 -1.062 0.000 1.145 560 K CA 1.066 56.872 56.287 -0.802 0.000 0.831 560 K CB -1.251 31.086 32.500 -0.272 0.000 1.226 560 K HN 0.539 nan 8.250 nan 0.000 0.478 561 D N 0.163 120.121 120.400 -0.737 0.000 2.540 561 D HA 0.186 4.838 4.640 0.020 0.000 0.251 561 D C 0.437 176.522 176.300 -0.358 0.000 1.159 561 D CA -0.648 53.092 54.000 -0.433 0.000 0.974 561 D CB -0.099 40.578 40.800 -0.205 0.000 0.996 561 D HN 0.038 nan 8.370 nan 0.000 0.512 562 F N 0.253 120.210 119.950 0.012 0.000 2.604 562 F HA 0.025 4.564 4.527 0.019 0.000 0.298 562 F C 2.027 177.829 175.800 0.004 0.000 1.131 562 F CA 0.069 58.071 58.000 0.004 0.000 1.457 562 F CB -0.067 38.940 39.000 0.012 0.000 1.095 562 F HN 0.217 nan 8.300 nan 0.000 0.574 563 D N 0.663 121.138 120.400 0.126 0.000 2.103 563 D HA -0.146 4.506 4.640 0.020 0.000 0.199 563 D C 2.296 178.625 176.300 0.049 0.000 0.978 563 D CA 0.928 54.983 54.000 0.092 0.000 0.829 563 D CB -0.191 40.653 40.800 0.072 0.000 0.981 563 D HN 0.196 nan 8.370 nan 0.000 0.464 564 K N 0.770 121.177 120.400 0.012 0.000 2.063 564 K HA -0.149 4.182 4.320 0.020 0.000 0.208 564 K C 1.975 178.568 176.600 -0.010 0.000 1.048 564 K CA 1.263 57.547 56.287 -0.005 0.000 0.928 564 K CB -0.014 32.469 32.500 -0.028 0.000 0.713 564 K HN -0.010 nan 8.250 nan 0.000 0.442 565 A N 1.447 124.263 122.820 -0.006 0.000 1.858 565 A HA -0.171 4.161 4.320 0.020 0.000 0.216 565 A C 2.158 179.699 177.584 -0.072 0.000 1.190 565 A CA 1.397 53.420 52.037 -0.025 0.000 0.617 565 A CB -0.699 18.316 19.000 0.026 0.000 0.827 565 A HN 0.388 nan 8.150 nan 0.000 0.443 566 L N -0.660 120.544 121.223 -0.031 0.000 2.046 566 L HA -0.238 4.113 4.340 0.020 0.000 0.208 566 L C 2.748 179.605 176.870 -0.021 0.000 1.077 566 L CA 1.918 56.726 54.840 -0.053 0.000 0.747 566 L CB -0.310 41.774 42.059 0.043 0.000 0.896 566 L HN 0.483 nan 8.230 nan 0.000 0.432 567 Q N -0.771 119.038 119.800 0.014 0.000 2.170 567 Q HA -0.199 4.153 4.340 0.020 0.000 0.203 567 Q C 2.123 178.123 176.000 -0.000 0.000 0.976 567 Q CA 1.386 57.205 55.803 0.027 0.000 0.858 567 Q CB -0.144 28.613 28.738 0.031 0.000 0.907 567 Q HN 0.481 nan 8.270 nan 0.000 0.433 568 L N 0.399 121.602 121.223 -0.034 0.000 2.622 568 L HA -0.049 4.303 4.340 0.020 0.000 0.233 568 L C 0.371 177.193 176.870 -0.080 0.000 1.156 568 L CA 0.243 55.055 54.840 -0.048 0.000 0.866 568 L CB 0.183 42.210 42.059 -0.053 0.000 0.980 568 L HN 0.019 nan 8.230 nan 0.000 0.448 569 R N 0.689 121.116 120.500 -0.122 0.000 2.457 569 R HA 0.179 4.531 4.340 0.020 0.000 0.284 569 R C -0.423 175.876 176.300 -0.002 0.000 1.024 569 R CA -0.692 55.306 56.100 -0.169 0.000 1.025 569 R CB 0.725 30.716 30.300 -0.515 0.000 1.063 569 R HN 0.082 nan 8.270 nan 0.000 0.493 570 D N 1.125 121.557 120.400 0.053 0.000 2.364 570 D HA -0.088 4.564 4.640 0.020 0.000 0.236 570 D C 0.860 177.264 176.300 0.174 0.000 1.221 570 D CA -0.262 53.803 54.000 0.108 0.000 0.891 570 D CB 0.702 41.564 40.800 0.103 0.000 1.190 570 D HN 0.151 nan 8.370 nan 0.000 0.449 571 Q N -0.101 119.787 119.800 0.147 0.000 2.181 571 Q HA -0.214 4.137 4.340 0.020 0.000 0.205 571 Q C 1.672 177.784 176.000 0.188 0.000 0.980 571 Q CA 1.274 57.171 55.803 0.156 0.000 0.862 571 Q CB -0.295 28.516 28.738 0.122 0.000 0.905 571 Q HN 0.777 nan 8.270 nan 0.000 0.429 572 E N -0.303 120.016 120.200 0.198 0.000 2.049 572 E HA -0.210 4.152 4.350 0.020 0.000 0.198 572 E C 1.843 178.606 176.600 0.271 0.000 1.007 572 E CA 1.079 57.612 56.400 0.221 0.000 0.809 572 E CB -0.294 29.550 29.700 0.240 0.000 0.749 572 E HN 0.349 nan 8.360 nan 0.000 0.450 573 F N 0.841 120.905 119.950 0.189 0.000 2.113 573 F HA -0.140 4.398 4.527 0.019 0.000 0.297 573 F C 2.350 178.243 175.800 0.155 0.000 1.103 573 F CA 1.676 59.790 58.000 0.189 0.000 1.248 573 F CB -0.279 38.822 39.000 0.167 0.000 0.999 573 F HN 0.121 nan 8.300 nan 0.000 0.475 574 A N -0.107 122.967 122.820 0.423 0.000 1.877 574 A HA -0.234 4.098 4.320 0.020 0.000 0.216 574 A C 2.228 179.956 177.584 0.239 0.000 1.186 574 A CA 2.553 54.792 52.037 0.338 0.000 0.620 574 A CB -1.627 17.524 19.000 0.252 0.000 0.822 574 A HN 0.510 nan 8.150 nan 0.000 0.443 575 T N -2.938 111.723 114.554 0.179 0.000 2.788 575 T HA -0.102 4.260 4.350 0.020 0.000 0.268 575 T C 2.009 176.768 174.700 0.098 0.000 1.044 575 T CA 1.858 64.036 62.100 0.130 0.000 1.139 575 T CB -0.559 68.379 68.868 0.118 0.000 0.867 575 T HN 0.259 nan 8.240 nan 0.000 0.454 576 S N 0.517 116.260 115.700 0.072 0.000 2.368 576 S HA -0.000 4.482 4.470 0.020 0.000 0.224 576 S C 1.626 176.244 174.600 0.029 0.000 1.029 576 S CA 0.933 59.132 58.200 -0.002 0.000 0.988 576 S CB -0.610 62.520 63.200 -0.117 0.000 0.838 576 S HN 0.617 nan 8.310 nan 0.000 0.462 577 Y N 2.680 122.916 120.300 -0.107 0.000 2.200 577 Y HA -0.121 4.441 4.550 0.020 0.000 0.290 577 Y C 2.656 178.586 175.900 0.050 0.000 1.137 577 Y CA 1.669 59.732 58.100 -0.062 0.000 1.163 577 Y CB -1.003 37.437 38.460 -0.034 0.000 0.988 577 Y HN 0.345 nan 8.280 nan 0.000 0.518 578 E N 0.442 120.651 120.200 0.015 0.000 2.077 578 E HA -0.245 4.116 4.350 0.020 0.000 0.193 578 E C 1.966 178.537 176.600 -0.047 0.000 0.989 578 E CA 1.685 58.057 56.400 -0.047 0.000 0.800 578 E CB -1.092 28.638 29.700 0.051 0.000 0.746 578 E HN 0.771 nan 8.360 nan 0.000 0.452 579 N N -1.522 117.178 118.700 -0.000 0.000 2.142 579 N HA -0.054 4.698 4.740 0.020 0.000 0.186 579 N C 1.821 177.284 175.510 -0.080 0.000 1.023 579 N CA 1.273 54.315 53.050 -0.013 0.000 0.852 579 N CB -0.193 38.307 38.487 0.022 0.000 0.998 579 N HN 0.461 nan 8.380 nan 0.000 0.424 580 F N 1.770 121.609 119.950 -0.184 0.000 2.102 580 F HA -0.111 4.428 4.527 0.020 0.000 0.298 580 F C 2.018 177.656 175.800 -0.271 0.000 1.105 580 F CA 0.880 58.751 58.000 -0.216 0.000 1.239 580 F CB -0.289 38.604 39.000 -0.178 0.000 0.991 580 F HN -0.095 nan 8.300 nan 0.000 0.474 581 L N 0.109 121.163 121.223 -0.282 0.000 2.046 581 L HA -0.198 4.154 4.340 0.020 0.000 0.208 581 L C 2.582 179.268 176.870 -0.306 0.000 1.077 581 L CA 1.796 56.423 54.840 -0.355 0.000 0.747 581 L CB -1.333 40.491 42.059 -0.392 0.000 0.896 581 L HN 0.128 nan 8.230 nan 0.000 0.432 582 S N -1.030 114.522 115.700 -0.247 0.000 2.354 582 S HA -0.182 4.300 4.470 0.020 0.000 0.219 582 S C 2.042 176.161 174.600 -0.803 0.000 1.035 582 S CA 1.561 59.637 58.200 -0.207 0.000 1.037 582 S CB -0.561 62.598 63.200 -0.068 0.000 0.956 582 S HN 0.240 nan 8.310 nan 0.000 0.428 583 V N 1.534 120.809 119.914 -1.066 0.000 2.324 583 V HA -0.214 3.917 4.120 0.020 0.000 0.250 583 V C 2.567 178.141 176.094 -0.866 0.000 1.060 583 V CA 2.111 63.582 62.300 -1.383 0.000 1.042 583 V CB -1.037 30.368 31.823 -0.698 0.000 0.650 583 V HN 0.492 nan 8.190 nan 0.000 0.450 584 S N -0.154 115.141 115.700 -0.674 0.000 2.370 584 S HA -0.212 4.270 4.470 0.020 0.000 0.226 584 S C 2.054 176.567 174.600 -0.146 0.000 1.033 584 S CA 2.026 59.968 58.200 -0.430 0.000 1.011 584 S CB -0.343 62.517 63.200 -0.567 0.000 0.852 584 S HN 0.719 nan 8.310 nan 0.000 0.457 585 K N -0.093 120.216 120.400 -0.152 0.000 2.505 585 K HA 0.131 4.463 4.320 0.020 0.000 0.192 585 K C 1.294 178.056 176.600 0.270 0.000 1.025 585 K CA 0.514 56.847 56.287 0.076 0.000 1.086 585 K CB -0.970 31.619 32.500 0.148 0.000 0.840 585 K HN 0.583 nan 8.250 nan 0.000 0.514 586 Y N 1.647 121.946 120.300 -0.002 0.000 2.333 586 Y HA -0.095 4.467 4.550 0.020 0.000 0.290 586 Y C 1.458 177.402 175.900 0.072 0.000 1.144 586 Y CA 1.092 59.167 58.100 -0.041 0.000 1.228 586 Y CB -0.456 38.005 38.460 0.001 0.000 0.985 586 Y HN 0.455 nan 8.280 nan 0.000 0.542 587 D N -0.413 120.019 120.400 0.052 0.000 2.264 587 D HA -0.125 4.527 4.640 0.020 0.000 0.208 587 D C 1.628 177.874 176.300 -0.090 0.000 0.966 587 D CA 0.983 54.851 54.000 -0.221 0.000 0.864 587 D CB -0.205 40.461 40.800 -0.223 0.000 0.933 587 D HN 0.208 nan 8.370 nan 0.000 0.499 588 D N 0.110 120.536 120.400 0.042 0.000 2.126 588 D HA -0.122 4.529 4.640 0.020 0.000 0.190 588 D C 1.956 178.280 176.300 0.041 0.000 1.001 588 D CA 2.063 56.087 54.000 0.040 0.000 0.841 588 D CB -0.341 40.517 40.800 0.097 0.000 0.949 588 D HN 0.348 nan 8.370 nan 0.000 0.446 589 G N -0.955 107.916 108.800 0.117 0.000 2.159 589 G HA2 -0.291 3.681 3.960 0.020 0.000 0.227 589 G HA3 -0.291 3.681 3.960 0.020 0.000 0.227 589 G C 1.120 176.071 174.900 0.085 0.000 0.986 589 G CA 1.104 46.265 45.100 0.103 0.000 0.651 589 G HN 0.441 nan 8.290 nan 0.000 0.523 590 S N -0.938 114.811 115.700 0.081 0.000 2.453 590 S HA 0.051 4.533 4.470 0.020 0.000 0.231 590 S C 1.763 176.300 174.600 -0.105 0.000 1.005 590 S CA 1.474 59.647 58.200 -0.045 0.000 0.949 590 S CB -0.322 62.802 63.200 -0.127 0.000 0.774 590 S HN 0.488 nan 8.310 nan 0.000 0.510 591 Y N 1.358 121.684 120.300 0.044 0.000 2.516 591 Y HA 0.345 4.906 4.550 0.020 0.000 0.291 591 Y C 1.300 177.186 175.900 -0.023 0.000 1.131 591 Y CA -0.348 57.767 58.100 0.025 0.000 1.281 591 Y CB -0.058 38.425 38.460 0.039 0.000 1.013 591 Y HN 0.225 nan 8.280 nan 0.000 0.554 592 L N 2.379 123.664 121.223 0.104 0.000 2.578 592 L HA 0.022 4.374 4.340 0.020 0.000 0.279 592 L C 0.110 176.974 176.870 -0.011 0.000 1.227 592 L CA 0.558 55.412 54.840 0.023 0.000 0.900 592 L CB 0.133 42.209 42.059 0.029 0.000 1.144 592 L HN 0.011 nan 8.230 nan 0.000 0.496 593 V N 4.498 124.382 119.914 -0.049 0.000 2.769 593 V HA 0.664 4.795 4.120 0.020 0.000 0.312 593 V C -2.295 173.783 176.094 -0.028 0.000 1.058 593 V CA -2.064 60.217 62.300 -0.032 0.000 0.952 593 V CB 1.299 33.111 31.823 -0.019 0.000 1.019 593 V HN 0.708 nan 8.190 nan 0.000 0.445 594 P HA 0.063 nan 4.420 nan 0.000 0.266 594 P C 0.602 177.881 177.300 -0.034 0.000 1.186 594 P CA 0.393 63.478 63.100 -0.024 0.000 0.767 594 P CB 0.684 32.371 31.700 -0.022 0.000 0.820 595 E N 1.357 121.531 120.200 -0.043 0.000 2.136 595 E HA -0.238 4.123 4.350 0.020 0.000 0.202 595 E C 2.048 178.601 176.600 -0.078 0.000 1.019 595 E CA 2.579 58.952 56.400 -0.046 0.000 0.819 595 E CB -0.326 29.349 29.700 -0.042 0.000 0.739 595 E HN 0.557 nan 8.360 nan 0.000 0.458 596 S N -0.077 115.528 115.700 -0.158 0.000 2.382 596 S HA -0.126 4.356 4.470 0.020 0.000 0.228 596 S C 2.042 176.449 174.600 -0.320 0.000 1.027 596 S CA 1.241 59.215 58.200 -0.375 0.000 0.991 596 S CB -0.125 62.751 63.200 -0.541 0.000 0.823 596 S HN 0.023 nan 8.310 nan 0.000 0.469 597 S N 1.208 116.864 115.700 -0.073 0.000 2.607 597 S HA 0.171 4.653 4.470 0.020 0.000 0.224 597 S C 0.643 175.360 174.600 0.196 0.000 0.969 597 S CA -0.050 58.223 58.200 0.123 0.000 0.927 597 S CB -0.088 63.184 63.200 0.121 0.000 0.772 597 S HN 0.445 nan 8.310 nan 0.000 0.533 598 R N 1.076 121.660 120.500 0.139 0.000 2.490 598 R HA 0.482 4.833 4.340 0.020 0.000 0.280 598 R C -0.524 175.950 176.300 0.291 0.000 1.077 598 R CA 0.169 56.413 56.100 0.239 0.000 1.065 598 R CB 0.420 30.781 30.300 0.102 0.000 1.003 598 R HN 0.198 nan 8.270 nan 0.000 0.470 599 L N 1.254 122.727 121.223 0.417 0.000 2.283 599 L HA 0.483 4.835 4.340 0.020 0.000 0.259 599 L C -0.443 176.549 176.870 0.203 0.000 1.027 599 L CA -1.322 53.624 54.840 0.176 0.000 0.828 599 L CB 1.447 43.471 42.059 -0.058 0.000 1.380 599 L HN 0.412 nan 8.230 nan 0.000 0.425 600 N N 1.601 120.437 118.700 0.226 0.000 2.511 600 N HA 0.464 5.216 4.740 0.020 0.000 0.249 600 N C -1.109 174.608 175.510 0.345 0.000 0.971 600 N CA -0.332 52.964 53.050 0.410 0.000 0.938 600 N CB 1.267 40.016 38.487 0.437 0.000 1.131 600 N HN 0.330 nan 8.380 nan 0.000 0.505 601 I N 1.364 122.079 120.570 0.241 0.000 2.353 601 I HA 0.474 4.655 4.170 0.020 0.000 0.293 601 I C 0.531 176.618 176.117 -0.050 0.000 0.992 601 I CA -1.254 60.073 61.300 0.044 0.000 1.268 601 I CB 0.692 38.667 38.000 -0.041 0.000 1.387 601 I HN 0.330 nan 8.210 nan 0.000 0.478 602 A N 7.866 130.485 122.820 -0.335 0.000 2.317 602 A HA 0.851 5.182 4.320 0.020 0.000 0.327 602 A C -0.444 176.927 177.584 -0.354 0.000 1.178 602 A CA -0.499 51.161 52.037 -0.628 0.000 0.817 602 A CB 0.854 18.944 19.000 -1.517 0.000 1.189 602 A HN 0.635 nan 8.150 nan 0.000 0.489 603 I N 2.671 123.069 120.570 -0.287 0.000 2.465 603 I HA 0.511 4.693 4.170 0.020 0.000 0.291 603 I C -0.672 175.289 176.117 -0.260 0.000 1.014 603 I CA -0.364 60.824 61.300 -0.187 0.000 1.093 603 I CB 1.775 39.718 38.000 -0.096 0.000 1.267 603 I HN 0.648 nan 8.210 nan 0.000 0.431 604 I N 5.016 125.463 120.570 -0.205 0.000 2.647 604 I HA 0.385 4.567 4.170 0.020 0.000 0.295 604 I C -1.016 175.071 176.117 -0.050 0.000 1.078 604 I CA -0.431 60.708 61.300 -0.267 0.000 1.048 604 I CB 2.157 39.915 38.000 -0.402 0.000 1.239 604 I HN 0.612 nan 8.210 nan 0.000 0.421 605 H N 6.010 124.994 119.070 -0.144 0.000 2.661 605 H HA 0.428 4.996 4.556 0.020 0.000 0.290 605 H C -1.005 174.276 175.328 -0.077 0.000 1.082 605 H CA -0.935 55.058 56.048 -0.093 0.000 1.234 605 H CB 1.350 31.060 29.762 -0.087 0.000 1.387 605 H HN 0.191 nan 8.280 nan 0.000 0.476 606 V N 3.783 123.746 119.914 0.082 0.000 2.328 606 V HA 0.626 4.758 4.120 0.020 0.000 0.278 606 V C 0.651 176.795 176.094 0.084 0.000 1.021 606 V CA -0.140 62.212 62.300 0.086 0.000 0.838 606 V CB 0.846 32.752 31.823 0.139 0.000 0.999 606 V HN 1.117 nan 8.190 nan 0.000 0.447 607 G N 3.855 112.703 108.800 0.080 0.000 2.343 607 G HA2 0.449 4.421 3.960 0.020 0.000 0.465 607 G HA3 0.449 4.421 3.960 0.020 0.000 0.465 607 G C -0.359 174.570 174.900 0.049 0.000 1.282 607 G CA -0.276 44.867 45.100 0.073 0.000 0.996 607 G HN 1.200 nan 8.290 nan 0.000 0.521 608 A N 0.408 123.256 122.820 0.046 0.000 2.406 608 A HA 0.722 5.053 4.320 0.020 0.000 0.243 608 A C -1.764 175.823 177.584 0.006 0.000 1.082 608 A CA -0.214 51.847 52.037 0.040 0.000 0.786 608 A CB -0.398 18.636 19.000 0.058 0.000 1.029 608 A HN 0.635 nan 8.150 nan 0.000 0.495 609 P HA 0.374 nan 4.420 nan 0.000 0.275 609 P C -0.391 176.878 177.300 -0.052 0.000 1.228 609 P CA 0.073 63.152 63.100 -0.036 0.000 0.786 609 P CB 0.958 32.640 31.700 -0.030 0.000 0.927 610 T N -2.977 111.523 114.554 -0.090 0.000 2.909 610 T HA 0.334 4.696 4.350 0.020 0.000 0.299 610 T C 0.997 175.631 174.700 -0.109 0.000 1.073 610 T CA -0.478 61.563 62.100 -0.097 0.000 0.999 610 T CB 1.226 70.026 68.868 -0.113 0.000 1.098 610 T HN 0.255 nan 8.240 nan 0.000 0.477 611 S N 1.164 116.809 115.700 -0.092 0.000 2.423 611 S HA -0.025 4.457 4.470 0.020 0.000 0.231 611 S C 2.242 176.786 174.600 -0.094 0.000 1.014 611 S CA 0.531 58.676 58.200 -0.091 0.000 0.965 611 S CB -0.847 62.310 63.200 -0.072 0.000 0.785 611 S HN 1.077 nan 8.310 nan 0.000 0.495 612 A N 1.542 124.308 122.820 -0.089 0.000 2.172 612 A HA 0.236 4.568 4.320 0.020 0.000 0.216 612 A C 2.086 179.606 177.584 -0.106 0.000 1.154 612 A CA 0.691 52.684 52.037 -0.074 0.000 0.701 612 A CB -0.727 18.236 19.000 -0.063 0.000 0.789 612 A HN 0.542 nan 8.150 nan 0.000 0.465 613 L N -0.338 120.777 121.223 -0.180 0.000 1.994 613 L HA -0.222 4.129 4.340 0.020 0.000 0.208 613 L C 2.397 179.151 176.870 -0.194 0.000 1.071 613 L CA 1.428 56.085 54.840 -0.306 0.000 0.745 613 L CB -0.649 41.108 42.059 -0.504 0.000 0.892 613 L HN 0.361 nan 8.230 nan 0.000 0.431 614 N N -0.358 118.248 118.700 -0.157 0.000 2.084 614 N HA -0.122 4.630 4.740 0.020 0.000 0.190 614 N C -0.819 174.785 175.510 0.157 0.000 1.030 614 N CA 1.589 54.595 53.050 -0.073 0.000 0.849 614 N CB -1.606 36.680 38.487 -0.335 0.000 1.012 614 N HN 0.285 nan 8.380 nan 0.000 0.423 615 P HA -0.103 nan 4.420 nan 0.000 0.215 615 P C 1.149 178.529 177.300 0.132 0.000 1.153 615 P CA 1.663 64.850 63.100 0.144 0.000 0.853 615 P CB -0.059 31.695 31.700 0.090 0.000 0.788 616 A N -0.185 122.683 122.820 0.080 0.000 1.883 616 A HA -0.167 4.165 4.320 0.020 0.000 0.217 616 A C 2.348 180.001 177.584 0.116 0.000 1.186 616 A CA 2.670 54.749 52.037 0.070 0.000 0.624 616 A CB -1.951 17.059 19.000 0.017 0.000 0.822 616 A HN 0.222 nan 8.150 nan 0.000 0.444 617 T N -0.818 113.848 114.554 0.186 0.000 2.821 617 T HA -0.124 4.237 4.350 0.020 0.000 0.267 617 T C 1.999 176.840 174.700 0.234 0.000 1.046 617 T CA 1.352 63.617 62.100 0.275 0.000 1.139 617 T CB -0.231 68.921 68.868 0.474 0.000 0.871 617 T HN 0.578 nan 8.240 nan 0.000 0.454 618 R N 0.853 121.523 120.500 0.284 0.000 2.088 618 R HA -0.112 4.240 4.340 0.020 0.000 0.232 618 R C 2.340 178.671 176.300 0.052 0.000 1.136 618 R CA 1.677 57.861 56.100 0.140 0.000 0.926 618 R CB -0.742 29.688 30.300 0.217 0.000 0.837 618 R HN 0.219 nan 8.270 nan 0.000 0.429 619 V N 1.333 121.300 119.914 0.088 0.000 2.324 619 V HA -0.281 3.851 4.120 0.020 0.000 0.250 619 V C 2.553 178.679 176.094 0.055 0.000 1.060 619 V CA 2.040 64.393 62.300 0.088 0.000 1.042 619 V CB -0.976 30.903 31.823 0.093 0.000 0.650 619 V HN 0.619 nan 8.190 nan 0.000 0.450 620 A N -0.187 122.655 122.820 0.037 0.000 1.902 620 A HA -0.218 4.114 4.320 0.020 0.000 0.217 620 A C 2.406 179.941 177.584 -0.081 0.000 1.181 620 A CA 2.507 54.544 52.037 0.000 0.000 0.623 620 A CB -0.951 18.066 19.000 0.029 0.000 0.818 620 A HN 0.522 nan 8.150 nan 0.000 0.443 621 T N 0.643 115.131 114.554 -0.111 0.000 2.737 621 T HA -0.069 4.293 4.350 0.020 0.000 0.265 621 T C 1.836 176.317 174.700 -0.364 0.000 1.038 621 T CA 1.496 63.457 62.100 -0.232 0.000 1.144 621 T CB -0.423 68.287 68.868 -0.263 0.000 0.866 621 T HN 0.381 nan 8.240 nan 0.000 0.434 622 L N 1.467 122.507 121.223 -0.305 0.000 2.017 622 L HA -0.114 4.237 4.340 0.020 0.000 0.208 622 L C 2.790 179.349 176.870 -0.519 0.000 1.073 622 L CA 1.139 55.762 54.840 -0.362 0.000 0.745 622 L CB -0.787 41.331 42.059 0.099 0.000 0.894 622 L HN 0.288 nan 8.230 nan 0.000 0.432 623 N N 0.227 118.639 118.700 -0.480 0.000 2.069 623 N HA -0.183 4.569 4.740 0.020 0.000 0.191 623 N C 1.868 177.067 175.510 -0.518 0.000 1.031 623 N CA 2.091 54.669 53.050 -0.787 0.000 0.852 623 N CB 0.058 38.355 38.487 -0.317 0.000 1.018 623 N HN 0.257 nan 8.380 nan 0.000 0.423 624 S N 1.207 116.733 115.700 -0.289 0.000 2.355 624 S HA -0.004 4.477 4.470 0.020 0.000 0.222 624 S C 2.193 176.670 174.600 -0.206 0.000 1.031 624 S CA 0.681 58.813 58.200 -0.112 0.000 0.993 624 S CB -0.291 62.865 63.200 -0.073 0.000 0.859 624 S HN 0.302 nan 8.310 nan 0.000 0.453 625 L N 1.324 122.293 121.223 -0.423 0.000 2.083 625 L HA -0.121 4.231 4.340 0.020 0.000 0.209 625 L C 2.799 179.479 176.870 -0.317 0.000 1.083 625 L CA 1.054 55.574 54.840 -0.534 0.000 0.752 625 L CB -0.750 40.641 42.059 -1.113 0.000 0.899 625 L HN 0.335 nan 8.230 nan 0.000 0.433 626 A N 0.400 123.054 122.820 -0.278 0.000 1.978 626 A HA -0.225 4.107 4.320 0.020 0.000 0.220 626 A C 2.197 179.785 177.584 0.006 0.000 1.170 626 A CA 1.740 53.790 52.037 0.023 0.000 0.636 626 A CB -0.305 18.506 19.000 -0.316 0.000 0.810 626 A HN 0.388 nan 8.150 nan 0.000 0.448 627 K N -1.849 118.456 120.400 -0.159 0.000 2.426 627 K HA 0.282 4.613 4.320 0.020 0.000 0.193 627 K C 1.057 177.433 176.600 -0.374 0.000 1.028 627 K CA 0.514 56.655 56.287 -0.243 0.000 1.047 627 K CB 0.105 32.387 32.500 -0.362 0.000 0.821 627 K HN 0.653 nan 8.250 nan 0.000 0.513 628 G N 1.512 110.148 108.800 -0.273 0.000 2.157 628 G HA2 -0.205 3.767 3.960 0.020 0.000 0.239 628 G HA3 -0.205 3.767 3.960 0.020 0.000 0.239 628 G C -0.244 174.546 174.900 -0.183 0.000 0.982 628 G CA -0.332 44.656 45.100 -0.188 0.000 0.650 628 G HN 0.295 nan 8.290 nan 0.000 0.527 629 H N 0.268 119.305 119.070 -0.056 0.000 2.607 629 H HA 0.474 5.042 4.556 0.020 0.000 0.367 629 H C 0.950 176.215 175.328 -0.105 0.000 1.181 629 H CA -0.027 55.993 56.048 -0.047 0.000 1.402 629 H CB 0.534 30.270 29.762 -0.044 0.000 1.474 629 H HN 0.300 nan 8.280 nan 0.000 0.596 630 R N 0.948 121.489 120.500 0.068 0.000 2.294 630 R HA 0.377 4.728 4.340 0.020 0.000 0.319 630 R C -0.787 175.327 176.300 -0.310 0.000 0.984 630 R CA -0.741 55.261 56.100 -0.164 0.000 0.861 630 R CB 1.280 31.539 30.300 -0.068 0.000 1.104 630 R HN 0.215 nan 8.270 nan 0.000 0.451 631 V N 4.844 124.452 119.914 -0.510 0.000 2.370 631 V HA 0.397 4.529 4.120 0.020 0.000 0.279 631 V C -0.636 175.085 176.094 -0.623 0.000 1.029 631 V CA -0.501 61.550 62.300 -0.414 0.000 0.870 631 V CB 0.723 32.363 31.823 -0.305 0.000 0.984 631 V HN 0.530 nan 8.190 nan 0.000 0.451 632 F N 2.806 122.707 119.950 -0.082 0.000 2.477 632 F HA 0.730 5.269 4.527 0.020 0.000 0.335 632 F C 0.405 176.083 175.800 -0.203 0.000 1.130 632 F CA -0.660 57.292 58.000 -0.079 0.000 0.948 632 F CB 1.835 40.886 39.000 0.086 0.000 1.154 632 F HN 0.519 nan 8.300 nan 0.000 0.439 633 A N 4.909 127.716 122.820 -0.022 0.000 2.253 633 A HA 0.658 4.990 4.320 0.020 0.000 0.316 633 A C -0.298 177.193 177.584 -0.154 0.000 1.327 633 A CA -0.566 51.399 52.037 -0.120 0.000 0.917 633 A CB -0.157 18.798 19.000 -0.074 0.000 1.162 633 A HN 0.775 nan 8.150 nan 0.000 0.535 634 I N 3.609 124.030 120.570 -0.249 0.000 2.471 634 I HA 0.045 4.227 4.170 0.020 0.000 0.294 634 I C 0.750 176.723 176.117 -0.239 0.000 1.123 634 I CA 0.323 61.469 61.300 -0.257 0.000 1.336 634 I CB 0.043 37.852 38.000 -0.319 0.000 1.430 634 I HN 0.590 nan 8.210 nan 0.000 0.533 635 R N 6.492 126.891 120.500 -0.168 0.000 2.442 635 R HA 0.155 4.506 4.340 0.020 0.000 0.291 635 R C 0.275 176.513 176.300 -0.105 0.000 1.069 635 R CA -0.320 55.702 56.100 -0.129 0.000 1.022 635 R CB 0.212 30.466 30.300 -0.077 0.000 0.976 635 R HN 0.599 nan 8.270 nan 0.000 0.443 636 N N 1.490 120.135 118.700 -0.092 0.000 2.756 636 N HA -0.190 4.562 4.740 0.020 0.000 0.248 636 N C 0.548 176.026 175.510 -0.053 0.000 1.062 636 N CA 1.122 54.143 53.050 -0.049 0.000 0.696 636 N CB -1.308 37.175 38.487 -0.008 0.000 0.946 636 N HN 1.090 nan 8.380 nan 0.000 0.548 637 G N 0.123 108.855 108.800 -0.112 0.000 2.578 637 G HA2 -0.367 3.605 3.960 0.020 0.000 0.284 637 G HA3 -0.367 3.605 3.960 0.020 0.000 0.284 637 G C 0.754 175.529 174.900 -0.207 0.000 1.283 637 G CA 0.537 45.538 45.100 -0.166 0.000 0.944 637 G HN 0.205 nan 8.290 nan 0.000 0.558 638 F N 1.199 121.159 119.950 0.017 0.000 2.234 638 F HA 0.179 4.718 4.527 0.020 0.000 0.299 638 F C 3.071 178.881 175.800 0.016 0.000 1.087 638 F CA 2.098 60.110 58.000 0.021 0.000 1.340 638 F CB -0.716 38.288 39.000 0.005 0.000 1.031 638 F HN 0.598 nan 8.300 nan 0.000 0.500 639 A N 0.310 123.227 122.820 0.162 0.000 1.902 639 A HA -0.085 4.246 4.320 0.020 0.000 0.217 639 A C 2.598 180.217 177.584 0.058 0.000 1.181 639 A CA 1.813 53.907 52.037 0.095 0.000 0.623 639 A CB -1.576 17.471 19.000 0.078 0.000 0.818 639 A HN 0.393 nan 8.150 nan 0.000 0.443 640 G N -0.434 108.397 108.800 0.051 0.000 2.418 640 G HA2 -0.187 3.785 3.960 0.020 0.000 0.217 640 G HA3 -0.187 3.785 3.960 0.020 0.000 0.217 640 G C 1.559 176.457 174.900 -0.004 0.000 1.158 640 G CA 0.943 46.077 45.100 0.057 0.000 0.771 640 G HN 0.398 nan 8.290 nan 0.000 0.545 641 L N 0.082 121.282 121.223 -0.037 0.000 1.976 641 L HA -0.026 4.325 4.340 0.020 0.000 0.209 641 L C 2.924 179.755 176.870 -0.066 0.000 1.071 641 L CA 1.536 56.314 54.840 -0.103 0.000 0.746 641 L CB -0.442 41.656 42.059 0.065 0.000 0.890 641 L HN 0.234 nan 8.230 nan 0.000 0.432 642 I N -0.148 120.487 120.570 0.107 0.000 2.127 642 I HA -0.358 3.824 4.170 0.020 0.000 0.241 642 I C 2.733 178.885 176.117 0.058 0.000 1.075 642 I CA 1.637 63.030 61.300 0.156 0.000 1.334 642 I CB -0.305 37.766 38.000 0.118 0.000 1.040 642 I HN 0.245 nan 8.210 nan 0.000 0.405 643 R N -0.840 119.598 120.500 -0.104 0.000 2.119 643 R HA -0.017 4.335 4.340 0.020 0.000 0.222 643 R C 1.342 177.251 176.300 -0.651 0.000 1.088 643 R CA 0.938 56.805 56.100 -0.388 0.000 0.984 643 R CB -0.031 29.965 30.300 -0.507 0.000 0.884 643 R HN 0.499 nan 8.270 nan 0.000 0.447 644 H N -2.175 116.912 119.070 0.029 0.000 3.540 644 H HA 0.210 4.778 4.556 0.020 0.000 0.259 644 H C 0.920 176.227 175.328 -0.035 0.000 1.197 644 H CA 0.509 56.567 56.048 0.017 0.000 1.136 644 H CB 1.391 31.155 29.762 0.002 0.000 1.605 644 H HN 0.353 nan 8.280 nan 0.000 0.657 645 G N 1.887 110.585 108.800 -0.171 0.000 2.203 645 G HA2 -0.329 3.643 3.960 0.020 0.000 0.263 645 G HA3 -0.329 3.643 3.960 0.020 0.000 0.263 645 G C 0.868 175.602 174.900 -0.277 0.000 1.012 645 G CA 0.391 45.134 45.100 -0.595 0.000 0.749 645 G HN 0.627 nan 8.290 nan 0.000 0.512 646 A N -0.288 122.445 122.820 -0.145 0.000 3.288 646 A HA 0.461 4.793 4.320 0.020 0.000 0.278 646 A C 0.829 178.332 177.584 -0.135 0.000 2.092 646 A CA 0.902 52.893 52.037 -0.077 0.000 1.493 646 A CB -0.273 18.710 19.000 -0.029 0.000 0.876 646 A HN 1.135 nan 8.150 nan 0.000 0.587 647 V N 2.608 122.427 119.914 -0.159 0.000 2.483 647 V HA 0.561 4.693 4.120 0.020 0.000 0.295 647 V C 0.441 176.536 176.094 0.000 0.000 1.035 647 V CA -0.765 61.423 62.300 -0.187 0.000 0.896 647 V CB 1.644 33.094 31.823 -0.620 0.000 0.986 647 V HN 0.751 nan 8.190 nan 0.000 0.447 648 R N 3.281 123.810 120.500 0.049 0.000 2.502 648 R HA 0.380 4.731 4.340 0.020 0.000 0.300 648 R C -0.609 175.751 176.300 0.100 0.000 0.984 648 R CA -0.553 55.599 56.100 0.087 0.000 0.882 648 R CB 1.892 32.216 30.300 0.040 0.000 1.180 648 R HN 0.920 nan 8.270 nan 0.000 0.444 649 E N 4.511 124.777 120.200 0.111 0.000 2.360 649 E HA 0.178 4.539 4.350 0.020 0.000 0.269 649 E C -0.694 175.817 176.600 -0.148 0.000 1.022 649 E CA -0.263 56.082 56.400 -0.092 0.000 0.887 649 E CB 0.794 30.434 29.700 -0.101 0.000 0.990 649 E HN 0.441 nan 8.360 nan 0.000 0.426 650 L N 4.366 125.436 121.223 -0.257 0.000 2.325 650 L HA 0.475 4.827 4.340 0.020 0.000 0.278 650 L C 0.193 176.887 176.870 -0.294 0.000 1.023 650 L CA -0.832 53.859 54.840 -0.247 0.000 0.811 650 L CB 1.409 43.308 42.059 -0.266 0.000 1.249 650 L HN 0.557 nan 8.230 nan 0.000 0.431 651 N N 0.625 119.172 118.700 -0.254 0.000 2.405 651 N HA 0.190 4.942 4.740 0.020 0.000 0.285 651 N C 0.181 175.567 175.510 -0.207 0.000 1.262 651 N CA -0.602 52.309 53.050 -0.232 0.000 0.773 651 N CB 1.544 39.974 38.487 -0.096 0.000 1.490 651 N HN 0.604 nan 8.380 nan 0.000 0.486 652 W N 0.534 121.756 121.300 -0.130 0.000 2.290 652 W HA -0.156 4.515 4.660 0.019 0.000 0.311 652 W C 2.102 178.536 176.519 -0.141 0.000 1.238 652 W CA 0.450 57.721 57.345 -0.124 0.000 1.255 652 W CB -0.264 29.150 29.460 -0.078 0.000 1.145 652 W HN 0.558 nan 8.180 nan 0.000 0.506 653 I N 0.218 120.854 120.570 0.110 0.000 2.394 653 I HA -0.250 3.932 4.170 0.020 0.000 0.251 653 I C 1.904 177.976 176.117 -0.074 0.000 1.136 653 I CA 1.714 63.029 61.300 0.024 0.000 1.425 653 I CB -0.467 37.555 38.000 0.038 0.000 1.079 653 I HN -0.069 nan 8.210 nan 0.000 0.425 654 D N -0.253 120.057 120.400 -0.151 0.000 2.178 654 D HA -0.147 4.505 4.640 0.020 0.000 0.201 654 D C 2.288 178.239 176.300 -0.581 0.000 0.980 654 D CA 1.166 55.018 54.000 -0.246 0.000 0.842 654 D CB -0.039 40.619 40.800 -0.237 0.000 0.948 654 D HN 0.242 nan 8.370 nan 0.000 0.472 655 V N 1.456 120.963 119.914 -0.679 0.000 2.720 655 V HA -0.151 3.981 4.120 0.020 0.000 0.256 655 V C 0.761 176.453 176.094 -0.669 0.000 1.082 655 V CA 0.898 62.626 62.300 -0.953 0.000 1.101 655 V CB -0.354 31.181 31.823 -0.479 0.000 0.693 655 V HN 0.156 nan 8.190 nan 0.000 0.479 656 E N 1.156 121.182 120.200 -0.290 0.000 2.729 656 E HA -0.095 4.267 4.350 0.020 0.000 0.246 656 E C 0.485 177.176 176.600 0.150 0.000 0.984 656 E CA 0.597 56.980 56.400 -0.028 0.000 0.951 656 E CB 0.049 29.757 29.700 0.014 0.000 0.914 656 E HN 0.412 nan 8.360 nan 0.000 0.509 657 D N 1.821 122.362 120.400 0.235 0.000 2.876 657 D HA -0.176 4.476 4.640 0.020 0.000 0.196 657 D C 0.464 176.936 176.300 0.287 0.000 1.014 657 D CA 0.696 54.852 54.000 0.261 0.000 1.012 657 D CB -1.123 39.782 40.800 0.175 0.000 1.080 657 D HN 0.621 nan 8.370 nan 0.000 0.438 658 W N 1.295 122.630 121.300 0.058 0.000 2.465 658 W HA -0.053 4.619 4.660 0.020 0.000 0.268 658 W C 2.407 178.928 176.519 0.004 0.000 1.242 658 W CA 1.387 58.745 57.345 0.022 0.000 1.248 658 W CB -1.004 28.482 29.460 0.044 0.000 1.118 658 W HN 0.478 nan 8.180 nan 0.000 0.587 659 H N -1.630 117.558 119.070 0.196 0.000 2.491 659 H HA -0.004 4.564 4.556 0.019 0.000 0.290 659 H C 1.385 176.746 175.328 0.055 0.000 1.050 659 H CA 1.384 57.494 56.048 0.103 0.000 1.309 659 H CB -0.674 29.129 29.762 0.069 0.000 1.392 659 H HN 0.273 nan 8.280 nan 0.000 0.554 660 N N 1.079 119.446 118.700 -0.556 0.000 2.482 660 N HA -0.043 4.709 4.740 0.020 0.000 0.179 660 N C 0.188 175.573 175.510 -0.208 0.000 1.039 660 N CA 0.757 53.548 53.050 -0.432 0.000 0.884 660 N CB 0.687 38.848 38.487 -0.543 0.000 1.113 660 N HN 0.430 nan 8.380 nan 0.000 0.440 661 T N -0.345 114.114 114.554 -0.158 0.000 2.916 661 T HA 0.431 4.793 4.350 0.020 0.000 0.303 661 T C 0.618 175.233 174.700 -0.142 0.000 1.025 661 T CA -0.705 61.312 62.100 -0.138 0.000 1.142 661 T CB 1.594 70.372 68.868 -0.149 0.000 0.947 661 T HN 0.103 nan 8.240 nan 0.000 0.544 662 G N 0.808 109.530 108.800 -0.129 0.000 2.522 662 G HA2 0.633 4.605 3.960 0.020 0.000 0.304 662 G HA3 0.633 4.605 3.960 0.020 0.000 0.304 662 G C 0.686 175.502 174.900 -0.141 0.000 1.210 662 G CA -0.274 44.754 45.100 -0.120 0.000 0.960 662 G HN 1.570 nan 8.290 nan 0.000 0.497 663 G N -0.762 107.962 108.800 -0.127 0.000 2.552 663 G HA2 0.057 4.029 3.960 0.020 0.000 0.265 663 G HA3 0.057 4.029 3.960 0.020 0.000 0.265 663 G C 0.327 175.127 174.900 -0.167 0.000 1.234 663 G CA 0.535 45.560 45.100 -0.125 0.000 0.944 663 G HN 1.805 nan 8.290 nan 0.000 0.568 664 S N -0.818 114.797 115.700 -0.142 0.000 2.532 664 S HA 0.596 5.078 4.470 0.020 0.000 0.299 664 S C 0.624 175.106 174.600 -0.198 0.000 1.105 664 S CA 0.058 58.184 58.200 -0.124 0.000 1.018 664 S CB 1.706 64.938 63.200 0.053 0.000 1.021 664 S HN 0.516 nan 8.310 nan 0.000 0.483 665 E N 2.957 122.936 120.200 -0.369 0.000 2.385 665 E HA 0.060 4.422 4.350 0.020 0.000 0.194 665 E C 1.424 177.916 176.600 -0.180 0.000 1.013 665 E CA 0.671 56.840 56.400 -0.385 0.000 0.866 665 E CB 0.125 29.316 29.700 -0.849 0.000 0.832 665 E HN 0.837 nan 8.360 nan 0.000 0.500 666 I N -3.990 116.484 120.570 -0.160 0.000 4.187 666 I HA 0.408 4.590 4.170 0.020 0.000 0.326 666 I C 0.770 176.822 176.117 -0.108 0.000 1.302 666 I CA 0.331 61.558 61.300 -0.122 0.000 1.196 666 I CB 0.877 38.758 38.000 -0.197 0.000 1.095 666 I HN -0.079 nan 8.210 nan 0.000 0.411 667 G N 1.159 109.920 108.800 -0.066 0.000 2.911 667 G HA2 0.009 3.981 3.960 0.020 0.000 0.686 667 G HA3 0.009 3.981 3.960 0.020 0.000 0.686 667 G C -0.533 174.372 174.900 0.009 0.000 1.136 667 G CA -0.199 44.882 45.100 -0.032 0.000 0.764 667 G HN 0.358 nan 8.290 nan 0.000 0.626 668 T N 0.746 115.317 114.554 0.030 0.000 2.848 668 T HA 0.772 5.134 4.350 0.020 0.000 0.285 668 T C -0.099 174.620 174.700 0.031 0.000 0.995 668 T CA 0.128 62.260 62.100 0.053 0.000 0.970 668 T CB 0.985 69.885 68.868 0.053 0.000 0.976 668 T HN 1.862 nan 8.240 nan 0.000 0.441 669 N N 1.828 120.552 118.700 0.040 0.000 2.710 669 N HA 0.373 5.125 4.740 0.020 0.000 0.257 669 N C -0.306 175.250 175.510 0.077 0.000 1.327 669 N CA -1.047 52.033 53.050 0.050 0.000 0.861 669 N CB 1.017 39.530 38.487 0.043 0.000 1.532 669 N HN 0.406 nan 8.380 nan 0.000 0.499 670 R N -0.013 120.538 120.500 0.086 0.000 2.346 670 R HA 0.169 4.521 4.340 0.020 0.000 0.225 670 R C 0.031 176.404 176.300 0.121 0.000 0.987 670 R CA -0.080 56.086 56.100 0.110 0.000 1.106 670 R CB -0.491 29.874 30.300 0.108 0.000 1.090 670 R HN 0.715 nan 8.270 nan 0.000 0.502 671 S N 0.394 116.168 115.700 0.124 0.000 2.572 671 S HA 0.216 4.698 4.470 0.020 0.000 0.279 671 S C 0.216 174.926 174.600 0.182 0.000 1.341 671 S CA -0.454 57.826 58.200 0.133 0.000 1.043 671 S CB 0.966 64.246 63.200 0.133 0.000 0.887 671 S HN 0.137 nan 8.310 nan 0.000 0.516 672 L N 2.414 123.693 121.223 0.094 0.000 2.330 672 L HA 0.435 4.787 4.340 0.020 0.000 0.271 672 L C -1.395 175.336 176.870 -0.231 0.000 1.013 672 L CA -2.739 52.086 54.840 -0.024 0.000 0.816 672 L CB 2.101 44.136 42.059 -0.041 0.000 1.287 672 L HN 0.453 nan 8.230 nan 0.000 0.435 673 P HA -0.115 nan 4.420 nan 0.000 0.221 673 P C 1.316 178.386 177.300 -0.385 0.000 1.145 673 P CA 0.967 63.585 63.100 -0.803 0.000 0.795 673 P CB 0.304 31.269 31.700 -1.225 0.000 0.775 674 S N 0.530 116.062 115.700 -0.280 0.000 2.392 674 S HA -0.197 4.285 4.470 0.020 0.000 0.232 674 S C 1.434 175.976 174.600 -0.097 0.000 1.041 674 S CA 1.897 60.002 58.200 -0.159 0.000 1.026 674 S CB -1.120 62.017 63.200 -0.105 0.000 0.845 674 S HN 0.234 nan 8.310 nan 0.000 0.465 675 D N 0.781 121.136 120.400 -0.075 0.000 2.172 675 D HA -0.076 4.576 4.640 0.020 0.000 0.196 675 D C 0.539 176.825 176.300 -0.024 0.000 0.999 675 D CA 1.309 55.292 54.000 -0.028 0.000 0.856 675 D CB -0.060 40.741 40.800 0.003 0.000 0.934 675 D HN 0.292 nan 8.370 nan 0.000 0.453 676 D N -1.420 118.954 120.400 -0.043 0.000 2.349 676 D HA 0.011 4.663 4.640 0.020 0.000 0.224 676 D C 0.788 177.046 176.300 -0.070 0.000 1.323 676 D CA -0.257 53.725 54.000 -0.030 0.000 0.917 676 D CB 0.246 41.049 40.800 0.004 0.000 1.524 676 D HN -0.307 nan 8.370 nan 0.000 0.505 677 M N 0.898 120.428 119.600 -0.116 0.000 2.086 677 M HA -0.002 4.490 4.480 0.020 0.000 0.261 677 M C 2.111 178.207 176.300 -0.340 0.000 1.067 677 M CA 1.883 57.033 55.300 -0.250 0.000 1.116 677 M CB -1.135 31.308 32.600 -0.262 0.000 1.348 677 M HN 0.512 nan 8.290 nan 0.000 0.407 678 G N -0.421 108.265 108.800 -0.192 0.000 2.513 678 G HA2 -0.275 3.697 3.960 0.020 0.000 0.219 678 G HA3 -0.275 3.697 3.960 0.020 0.000 0.219 678 G C 1.504 176.384 174.900 -0.033 0.000 1.160 678 G CA 1.889 46.950 45.100 -0.066 0.000 0.767 678 G HN 0.449 nan 8.290 nan 0.000 0.571 679 T N 0.548 115.106 114.554 0.007 0.000 2.777 679 T HA -0.071 4.291 4.350 0.020 0.000 0.266 679 T C 2.572 177.426 174.700 0.257 0.000 1.040 679 T CA 1.148 63.301 62.100 0.088 0.000 1.141 679 T CB -0.258 68.666 68.868 0.093 0.000 0.868 679 T HN 0.079 nan 8.240 nan 0.000 0.444 680 V N 1.910 121.941 119.914 0.196 0.000 2.287 680 V HA -0.195 3.937 4.120 0.020 0.000 0.248 680 V C 2.925 179.161 176.094 0.237 0.000 1.053 680 V CA 1.818 64.285 62.300 0.279 0.000 1.027 680 V CB -1.251 30.601 31.823 0.048 0.000 0.646 680 V HN 0.532 nan 8.190 nan 0.000 0.447 681 A N -1.010 121.779 122.820 -0.053 0.000 1.972 681 A HA -0.267 4.064 4.320 0.020 0.000 0.219 681 A C 2.153 179.678 177.584 -0.098 0.000 1.169 681 A CA 2.082 53.869 52.037 -0.416 0.000 0.635 681 A CB -0.756 17.744 19.000 -0.833 0.000 0.810 681 A HN 0.701 nan 8.150 nan 0.000 0.446 682 Y N -1.005 119.233 120.300 -0.104 0.000 2.145 682 Y HA -0.255 4.307 4.550 0.020 0.000 0.286 682 Y C 2.122 177.976 175.900 -0.076 0.000 1.145 682 Y CA 2.042 60.057 58.100 -0.140 0.000 1.148 682 Y CB -0.509 37.799 38.460 -0.252 0.000 0.981 682 Y HN 0.331 nan 8.280 nan 0.000 0.507 683 Y N -0.917 119.554 120.300 0.285 0.000 2.242 683 Y HA -0.179 4.383 4.550 0.020 0.000 0.291 683 Y C 2.277 178.316 175.900 0.231 0.000 1.137 683 Y CA 1.688 59.974 58.100 0.309 0.000 1.181 683 Y CB -0.969 37.768 38.460 0.461 0.000 0.989 683 Y HN 0.178 nan 8.280 nan 0.000 0.527 684 F N -0.068 119.994 119.950 0.188 0.000 2.171 684 F HA -0.289 4.250 4.527 0.019 0.000 0.300 684 F C 2.647 178.334 175.800 -0.188 0.000 1.090 684 F CA 1.458 59.528 58.000 0.118 0.000 1.293 684 F CB -0.248 38.938 39.000 0.310 0.000 1.013 684 F HN 0.072 nan 8.300 nan 0.000 0.486 685 Q N 0.043 119.809 119.800 -0.057 0.000 2.079 685 Q HA -0.213 4.139 4.340 0.020 0.000 0.200 685 Q C 2.198 177.967 176.000 -0.385 0.000 0.974 685 Q CA 1.235 56.895 55.803 -0.237 0.000 0.840 685 Q CB -0.032 28.553 28.738 -0.254 0.000 0.898 685 Q HN 0.342 nan 8.270 nan 0.000 0.430 686 Q N -0.423 119.105 119.800 -0.453 0.000 2.020 686 Q HA -0.163 4.189 4.340 0.020 0.000 0.202 686 Q C 1.649 177.282 176.000 -0.611 0.000 0.982 686 Q CA 1.494 56.970 55.803 -0.545 0.000 0.838 686 Q CB -0.240 28.149 28.738 -0.583 0.000 0.899 686 Q HN 0.581 nan 8.270 nan 0.000 0.423 687 Y N 0.640 120.551 120.300 -0.649 0.000 2.546 687 Y HA 0.029 4.590 4.550 0.020 0.000 0.287 687 Y C 0.308 175.627 175.900 -0.968 0.000 1.158 687 Y CA 0.089 57.615 58.100 -0.957 0.000 1.307 687 Y CB 0.140 37.722 38.460 -1.463 0.000 1.036 687 Y HN 0.052 nan 8.280 nan 0.000 0.532 688 K N 0.308 120.352 120.400 -0.593 0.000 3.419 688 K HA -0.209 4.123 4.320 0.020 0.000 0.272 688 K C -1.161 175.322 176.600 -0.196 0.000 0.973 688 K CA -0.028 56.042 56.287 -0.362 0.000 0.749 688 K CB -1.951 30.361 32.500 -0.313 0.000 1.403 688 K HN 0.104 nan 8.250 nan 0.000 0.456 689 F N 0.922 120.810 119.950 -0.104 0.000 2.495 689 F HA 0.044 4.583 4.527 0.020 0.000 0.365 689 F C 1.633 177.434 175.800 0.001 0.000 1.090 689 F CA -0.618 57.317 58.000 -0.108 0.000 1.235 689 F CB 0.501 39.308 39.000 -0.322 0.000 1.119 689 F HN 0.118 nan 8.300 nan 0.000 0.562 690 D N 1.381 121.916 120.400 0.225 0.000 2.398 690 D HA 0.232 4.884 4.640 0.020 0.000 0.210 690 D C 0.834 177.204 176.300 0.116 0.000 1.094 690 D CA 0.348 54.441 54.000 0.155 0.000 0.839 690 D CB 1.011 41.884 40.800 0.121 0.000 0.963 690 D HN 0.635 nan 8.370 nan 0.000 0.506 691 G N 0.829 109.689 108.800 0.101 0.000 2.667 691 G HA2 0.468 4.439 3.960 0.020 0.000 0.294 691 G HA3 0.468 4.439 3.960 0.020 0.000 0.294 691 G C -2.282 172.621 174.900 0.004 0.000 1.467 691 G CA -0.636 44.501 45.100 0.061 0.000 0.852 691 G HN 0.037 nan 8.290 nan 0.000 0.521 692 L N 0.924 122.170 121.223 0.038 0.000 2.464 692 L HA 0.808 5.160 4.340 0.020 0.000 0.266 692 L C -1.282 175.608 176.870 0.034 0.000 0.965 692 L CA -0.747 54.088 54.840 -0.009 0.000 0.833 692 L CB 1.870 43.981 42.059 0.086 0.000 1.296 692 L HN 0.505 nan 8.230 nan 0.000 0.405 693 I N 6.297 126.863 120.570 -0.007 0.000 2.382 693 I HA 0.400 4.582 4.170 0.020 0.000 0.285 693 I C -0.611 175.520 176.117 0.023 0.000 1.007 693 I CA -0.417 60.899 61.300 0.027 0.000 1.142 693 I CB 1.446 39.464 38.000 0.031 0.000 1.289 693 I HN 0.480 nan 8.210 nan 0.000 0.453 694 I N 7.365 127.964 120.570 0.049 0.000 2.310 694 I HA 0.330 4.512 4.170 0.020 0.000 0.287 694 I C -0.069 176.084 176.117 0.060 0.000 1.073 694 I CA -0.323 61.012 61.300 0.059 0.000 1.216 694 I CB 0.237 38.294 38.000 0.096 0.000 1.415 694 I HN 0.414 nan 8.210 nan 0.000 0.480 695 I N 5.790 126.408 120.570 0.078 0.000 2.352 695 I HA 0.670 4.851 4.170 0.020 0.000 0.290 695 I C 0.921 177.042 176.117 0.006 0.000 1.036 695 I CA 0.169 61.486 61.300 0.029 0.000 1.336 695 I CB 0.774 38.770 38.000 -0.007 0.000 1.407 695 I HN 0.763 nan 8.210 nan 0.000 0.497 696 G N 3.669 112.462 108.800 -0.012 0.000 2.336 696 G HA2 0.444 4.416 3.960 0.020 0.000 0.286 696 G HA3 0.444 4.416 3.960 0.020 0.000 0.286 696 G C -0.539 174.365 174.900 0.007 0.000 1.269 696 G CA -0.168 44.929 45.100 -0.004 0.000 0.873 696 G HN 0.738 nan 8.290 nan 0.000 0.494 697 G N -1.200 107.627 108.800 0.044 0.000 3.022 697 G HA2 0.445 4.416 3.960 0.020 0.000 0.157 697 G HA3 0.445 4.416 3.960 0.020 0.000 0.157 697 G C 0.846 175.835 174.900 0.149 0.000 1.468 697 G CA 0.376 45.520 45.100 0.074 0.000 1.058 697 G HN 0.617 nan 8.290 nan 0.000 0.581 698 F N 0.436 120.436 119.950 0.084 0.000 2.216 698 F HA 0.011 4.549 4.527 0.020 0.000 0.300 698 F C 2.694 178.647 175.800 0.256 0.000 1.085 698 F CA 1.735 59.841 58.000 0.177 0.000 1.326 698 F CB 0.275 39.346 39.000 0.119 0.000 1.027 698 F HN 0.328 nan 8.300 nan 0.000 0.497 699 E N -0.087 120.279 120.200 0.277 0.000 2.208 699 E HA -0.060 4.302 4.350 0.020 0.000 0.193 699 E C 2.200 178.882 176.600 0.137 0.000 0.988 699 E CA 0.954 57.475 56.400 0.201 0.000 0.828 699 E CB -0.404 29.410 29.700 0.190 0.000 0.763 699 E HN 0.402 nan 8.360 nan 0.000 0.478 700 A N 0.119 123.019 122.820 0.133 0.000 1.929 700 A HA -0.121 4.211 4.320 0.020 0.000 0.216 700 A C 2.002 179.645 177.584 0.098 0.000 1.176 700 A CA 0.946 53.054 52.037 0.118 0.000 0.628 700 A CB -0.646 18.411 19.000 0.096 0.000 0.816 700 A HN 0.368 nan 8.150 nan 0.000 0.444 701 F N 1.446 121.343 119.950 -0.088 0.000 2.146 701 F HA -0.116 4.423 4.527 0.020 0.000 0.298 701 F C 2.328 178.076 175.800 -0.086 0.000 1.096 701 F CA 2.250 60.161 58.000 -0.148 0.000 1.275 701 F CB -0.793 37.997 39.000 -0.350 0.000 1.008 701 F HN 0.179 nan 8.300 nan 0.000 0.480 702 T N 0.937 115.360 114.554 -0.220 0.000 2.708 702 T HA -0.164 4.198 4.350 0.020 0.000 0.266 702 T C 2.259 176.859 174.700 -0.168 0.000 1.037 702 T CA 1.606 63.613 62.100 -0.155 0.000 1.146 702 T CB -0.945 67.970 68.868 0.077 0.000 0.865 702 T HN 0.383 nan 8.240 nan 0.000 0.435 703 A N 1.568 124.328 122.820 -0.100 0.000 1.883 703 A HA -0.033 4.298 4.320 0.020 0.000 0.217 703 A C 2.318 179.775 177.584 -0.211 0.000 1.186 703 A CA 1.216 53.160 52.037 -0.155 0.000 0.624 703 A CB -1.007 18.030 19.000 0.063 0.000 0.822 703 A HN 0.452 nan 8.150 nan 0.000 0.444 704 L N -1.664 119.480 121.223 -0.131 0.000 2.013 704 L HA -0.242 4.110 4.340 0.020 0.000 0.212 704 L C 2.524 179.254 176.870 -0.233 0.000 1.073 704 L CA 2.683 57.442 54.840 -0.134 0.000 0.753 704 L CB -0.625 41.395 42.059 -0.064 0.000 0.890 704 L HN 0.676 nan 8.230 nan 0.000 0.432 705 Y N 0.852 120.875 120.300 -0.462 0.000 2.114 705 Y HA -0.295 4.267 4.550 0.020 0.000 0.284 705 Y C 2.563 178.139 175.900 -0.540 0.000 1.143 705 Y CA 2.083 59.827 58.100 -0.593 0.000 1.135 705 Y CB -0.129 37.704 38.460 -1.044 0.000 0.980 705 Y HN 0.240 nan 8.280 nan 0.000 0.499 706 E N 0.289 120.111 120.200 -0.631 0.000 2.058 706 E HA -0.247 4.115 4.350 0.020 0.000 0.194 706 E C 2.203 178.449 176.600 -0.589 0.000 0.997 706 E CA 1.751 57.782 56.400 -0.615 0.000 0.801 706 E CB -0.320 29.116 29.700 -0.440 0.000 0.746 706 E HN 0.528 nan 8.360 nan 0.000 0.450 707 L N 0.649 121.518 121.223 -0.591 0.000 2.056 707 L HA -0.196 4.155 4.340 0.020 0.000 0.207 707 L C 2.371 178.968 176.870 -0.455 0.000 1.078 707 L CA 1.317 55.731 54.840 -0.710 0.000 0.749 707 L CB -0.357 41.271 42.059 -0.718 0.000 0.901 707 L HN 0.149 nan 8.230 nan 0.000 0.433 708 D N 0.145 120.324 120.400 -0.368 0.000 2.097 708 D HA -0.206 4.446 4.640 0.020 0.000 0.195 708 D C 2.150 178.284 176.300 -0.278 0.000 0.989 708 D CA 1.431 55.278 54.000 -0.254 0.000 0.827 708 D CB 0.136 40.794 40.800 -0.236 0.000 0.966 708 D HN 0.246 nan 8.370 nan 0.000 0.456 709 A N 0.279 122.816 122.820 -0.471 0.000 1.930 709 A HA 0.095 4.426 4.320 0.020 0.000 0.217 709 A C 2.309 179.768 177.584 -0.207 0.000 1.175 709 A CA 1.782 53.568 52.037 -0.419 0.000 0.627 709 A CB -0.924 17.668 19.000 -0.680 0.000 0.815 709 A HN 0.341 nan 8.150 nan 0.000 0.443 710 A N -0.438 122.291 122.820 -0.152 0.000 2.168 710 A HA -0.045 4.287 4.320 0.020 0.000 0.215 710 A C 2.011 179.764 177.584 0.282 0.000 1.152 710 A CA 0.975 53.085 52.037 0.122 0.000 0.716 710 A CB -0.469 18.645 19.000 0.190 0.000 0.794 710 A HN 0.556 nan 8.150 nan 0.000 0.465 711 R N -0.269 120.327 120.500 0.160 0.000 2.154 711 R HA -0.215 4.137 4.340 0.020 0.000 0.248 711 R C 2.385 178.744 176.300 0.099 0.000 1.155 711 R CA 1.309 57.512 56.100 0.172 0.000 0.979 711 R CB -0.475 29.878 30.300 0.088 0.000 0.869 711 R HN 0.558 nan 8.270 nan 0.000 0.452 712 A N 1.056 123.892 122.820 0.026 0.000 1.835 712 A HA -0.252 4.080 4.320 0.020 0.000 0.215 712 A C 2.090 179.630 177.584 -0.072 0.000 1.199 712 A CA 1.529 53.546 52.037 -0.033 0.000 0.615 712 A CB -0.545 18.421 19.000 -0.057 0.000 0.838 712 A HN 0.251 nan 8.150 nan 0.000 0.444 713 Q N -1.555 118.168 119.800 -0.127 0.000 2.124 713 Q HA -0.073 4.279 4.340 0.020 0.000 0.202 713 Q C -0.407 175.243 176.000 -0.582 0.000 0.977 713 Q CA 1.243 56.808 55.803 -0.396 0.000 0.850 713 Q CB -0.190 28.215 28.738 -0.554 0.000 0.901 713 Q HN 0.793 nan 8.270 nan 0.000 0.429 714 Y N -0.527 119.770 120.300 -0.005 0.000 2.686 714 Y HA 0.281 4.843 4.550 0.020 0.000 0.331 714 Y C -1.796 174.044 175.900 -0.101 0.000 0.996 714 Y CA -2.681 55.341 58.100 -0.130 0.000 1.293 714 Y CB 1.144 39.364 38.460 -0.399 0.000 1.092 714 Y HN 0.000 nan 8.280 nan 0.000 0.524 715 P HA -0.275 nan 4.420 nan 0.000 0.218 715 P C 1.674 179.044 177.300 0.116 0.000 1.150 715 P CA 1.470 64.670 63.100 0.167 0.000 0.841 715 P CB 0.572 32.437 31.700 0.274 0.000 0.784 716 I N -1.774 118.791 120.570 -0.009 0.000 2.423 716 I HA -0.201 3.981 4.170 0.020 0.000 0.254 716 I C 1.701 177.894 176.117 0.127 0.000 1.151 716 I CA 1.270 62.562 61.300 -0.014 0.000 1.421 716 I CB -0.636 37.290 38.000 -0.124 0.000 1.079 716 I HN -0.226 nan 8.210 nan 0.000 0.431 717 F N -0.578 119.466 119.950 0.157 0.000 2.780 717 F HA 0.102 4.640 4.527 0.020 0.000 0.299 717 F C 1.436 177.307 175.800 0.120 0.000 1.146 717 F CA 0.017 58.089 58.000 0.119 0.000 1.428 717 F CB -1.291 37.712 39.000 0.005 0.000 1.115 717 F HN 0.062 nan 8.300 nan 0.000 0.583 718 N N 1.911 120.777 118.700 0.276 0.000 3.243 718 N HA 0.093 4.845 4.740 0.020 0.000 0.310 718 N C -0.377 175.241 175.510 0.181 0.000 1.313 718 N CA 0.041 53.210 53.050 0.197 0.000 1.204 718 N CB -0.826 37.766 38.487 0.175 0.000 1.483 718 N HN 0.322 nan 8.380 nan 0.000 0.553 719 I N -2.925 117.764 120.570 0.199 0.000 2.910 719 I HA 0.713 4.895 4.170 0.020 0.000 0.310 719 I C -2.545 173.643 176.117 0.119 0.000 1.043 719 I CA -2.968 58.436 61.300 0.172 0.000 1.053 719 I CB 1.830 39.969 38.000 0.232 0.000 1.242 719 I HN -0.121 nan 8.210 nan 0.000 0.452 720 P HA 0.358 nan 4.420 nan 0.000 0.271 720 P C -1.157 176.217 177.300 0.124 0.000 1.220 720 P CA 0.110 63.216 63.100 0.010 0.000 0.768 720 P CB 0.604 32.220 31.700 -0.140 0.000 0.848 721 M N 2.830 122.529 119.600 0.165 0.000 2.518 721 M HA 0.536 5.027 4.480 0.020 0.000 0.300 721 M C -0.696 175.697 176.300 0.153 0.000 1.175 721 M CA -0.516 54.877 55.300 0.154 0.000 0.890 721 M CB 2.268 34.937 32.600 0.115 0.000 1.710 721 M HN 0.474 nan 8.290 nan 0.000 0.453 722 C N -0.426 118.943 119.300 0.115 0.000 2.994 722 C HA 0.853 5.324 4.460 0.020 0.000 0.305 722 C C -0.817 174.197 174.990 0.040 0.000 1.251 722 C CA -1.310 57.740 59.018 0.052 0.000 1.478 722 C CB 1.010 28.768 27.740 0.030 0.000 1.922 722 C HN 1.100 nan 8.230 nan 0.000 0.472 723 C N 4.406 123.716 119.300 0.017 0.000 2.281 723 C HA 0.725 5.197 4.460 0.020 0.000 0.325 723 C C -0.316 174.671 174.990 -0.005 0.000 1.282 723 C CA -0.189 58.848 59.018 0.031 0.000 1.640 723 C CB -0.273 27.511 27.740 0.073 0.000 2.288 723 C HN 1.022 nan 8.230 nan 0.000 0.507 724 L N 9.712 130.933 121.223 -0.004 0.000 2.264 724 L HA 0.574 4.926 4.340 0.020 0.000 0.287 724 L C -2.354 174.492 176.870 -0.041 0.000 1.039 724 L CA -2.471 52.351 54.840 -0.030 0.000 0.829 724 L CB 0.713 42.764 42.059 -0.013 0.000 1.211 724 L HN 0.508 nan 8.230 nan 0.000 0.427 725 P HA 0.287 nan 4.420 nan 0.000 0.270 725 P C -1.280 175.946 177.300 -0.124 0.000 1.242 725 P CA 0.003 63.050 63.100 -0.089 0.000 0.768 725 P CB 0.723 32.351 31.700 -0.119 0.000 0.820 726 A N 2.782 125.533 122.820 -0.115 0.000 2.411 726 A HA 0.712 5.043 4.320 0.020 0.000 0.285 726 A C -0.486 177.021 177.584 -0.128 0.000 1.129 726 A CA -0.416 51.535 52.037 -0.143 0.000 0.736 726 A CB 1.132 20.053 19.000 -0.132 0.000 1.186 726 A HN 0.426 nan 8.150 nan 0.000 0.445 727 T N 1.095 115.549 114.554 -0.167 0.000 2.977 727 T HA 0.297 4.658 4.350 0.020 0.000 0.345 727 T C 0.313 174.908 174.700 -0.175 0.000 1.562 727 T CA 0.075 62.094 62.100 -0.135 0.000 1.090 727 T CB 1.179 69.996 68.868 -0.086 0.000 1.383 727 T HN 0.633 nan 8.240 nan 0.000 0.484 728 V N 2.990 122.824 119.914 -0.135 0.000 2.453 728 V HA -0.019 4.113 4.120 0.020 0.000 0.247 728 V C 2.554 178.575 176.094 -0.122 0.000 1.048 728 V CA 2.466 64.686 62.300 -0.134 0.000 1.049 728 V CB -0.292 31.462 31.823 -0.115 0.000 0.672 728 V HN 0.945 nan 8.190 nan 0.000 0.457 729 S N -0.456 115.178 115.700 -0.111 0.000 2.399 729 S HA -0.179 4.303 4.470 0.020 0.000 0.231 729 S C 1.154 175.672 174.600 -0.137 0.000 1.022 729 S CA 1.092 59.234 58.200 -0.097 0.000 0.983 729 S CB -0.547 62.607 63.200 -0.076 0.000 0.803 729 S HN 0.781 nan 8.310 nan 0.000 0.480 730 N N 1.194 119.760 118.700 -0.224 0.000 2.754 730 N HA -0.171 4.581 4.740 0.020 0.000 0.248 730 N C 0.055 175.394 175.510 -0.285 0.000 1.093 730 N CA 0.632 53.458 53.050 -0.373 0.000 0.699 730 N CB -0.988 37.057 38.487 -0.736 0.000 1.016 730 N HN 0.550 nan 8.380 nan 0.000 0.552 731 N N -0.847 117.762 118.700 -0.152 0.000 2.235 731 N HA 0.055 4.807 4.740 0.020 0.000 0.209 731 N C -0.480 175.040 175.510 0.016 0.000 1.122 731 N CA 0.057 53.068 53.050 -0.066 0.000 0.845 731 N CB 0.383 38.847 38.487 -0.037 0.000 1.004 731 N HN 0.078 nan 8.380 nan 0.000 0.499 732 V N 2.214 122.081 119.914 -0.079 0.000 2.432 732 V HA 0.363 4.495 4.120 0.020 0.000 0.275 732 V C -2.052 173.860 176.094 -0.303 0.000 1.043 732 V CA -1.507 60.686 62.300 -0.178 0.000 0.925 732 V CB 1.109 32.828 31.823 -0.174 0.000 0.985 732 V HN 0.085 nan 8.190 nan 0.000 0.466 733 P HA 0.350 nan 4.420 nan 0.000 0.272 733 P C 0.921 178.026 177.300 -0.324 0.000 1.223 733 P CA 0.753 63.599 63.100 -0.424 0.000 0.784 733 P CB 0.773 32.130 31.700 -0.573 0.000 0.923 734 G N -0.785 107.913 108.800 -0.169 0.000 2.175 734 G HA2 -0.172 3.800 3.960 0.020 0.000 0.244 734 G HA3 -0.172 3.800 3.960 0.020 0.000 0.244 734 G C 0.241 175.082 174.900 -0.099 0.000 0.982 734 G CA 0.324 45.364 45.100 -0.100 0.000 0.641 734 G HN 0.889 nan 8.290 nan 0.000 0.527 735 T N -1.352 113.134 114.554 -0.113 0.000 2.868 735 T HA 0.592 4.954 4.350 0.020 0.000 0.306 735 T C 0.528 175.176 174.700 -0.087 0.000 1.224 735 T CA 0.214 62.257 62.100 -0.094 0.000 1.012 735 T CB 1.731 70.535 68.868 -0.107 0.000 1.221 735 T HN 0.081 nan 8.240 nan 0.000 0.499 736 E N 0.844 121.017 120.200 -0.044 0.000 2.415 736 E HA 0.173 4.535 4.350 0.020 0.000 0.197 736 E C -0.827 175.757 176.600 -0.027 0.000 1.007 736 E CA 0.035 56.415 56.400 -0.034 0.000 0.890 736 E CB 0.680 30.392 29.700 0.019 0.000 0.891 736 E HN 0.513 nan 8.360 nan 0.000 0.496 737 Y N 0.850 121.058 120.300 -0.154 0.000 2.406 737 Y HA 0.232 4.793 4.550 0.019 0.000 0.340 737 Y C -1.048 174.760 175.900 -0.154 0.000 0.975 737 Y CA -1.063 56.938 58.100 -0.165 0.000 1.056 737 Y CB 1.509 39.894 38.460 -0.124 0.000 1.210 737 Y HN -0.181 nan 8.280 nan 0.000 0.448 738 S N 6.103 121.286 115.700 -0.862 0.000 2.454 738 S HA 0.583 5.065 4.470 0.020 0.000 0.306 738 S C -0.892 173.167 174.600 -0.901 0.000 1.100 738 S CA -0.924 56.891 58.200 -0.642 0.000 1.087 738 S CB 1.191 64.136 63.200 -0.425 0.000 1.019 738 S HN 0.725 nan 8.310 nan 0.000 0.480 739 L N 2.990 123.941 121.223 -0.452 0.000 2.525 739 L HA 0.394 4.746 4.340 0.020 0.000 0.278 739 L C 1.599 178.327 176.870 -0.236 0.000 1.218 739 L CA 1.078 55.774 54.840 -0.239 0.000 0.878 739 L CB -0.083 41.923 42.059 -0.088 0.000 1.127 739 L HN 1.236 nan 8.230 nan 0.000 0.492 740 G N 1.182 109.894 108.800 -0.146 0.000 2.234 740 G HA2 -0.350 3.621 3.960 0.020 0.000 0.235 740 G HA3 -0.350 3.621 3.960 0.020 0.000 0.235 740 G C 1.093 175.912 174.900 -0.135 0.000 0.997 740 G CA 0.616 45.644 45.100 -0.121 0.000 0.623 740 G HN 0.735 nan 8.290 nan 0.000 0.514 741 S N 0.353 115.918 115.700 -0.226 0.000 2.368 741 S HA -0.032 4.450 4.470 0.020 0.000 0.224 741 S C 1.687 176.241 174.600 -0.077 0.000 1.029 741 S CA 1.945 60.037 58.200 -0.179 0.000 0.988 741 S CB -0.182 62.854 63.200 -0.273 0.000 0.838 741 S HN 0.437 nan 8.310 nan 0.000 0.462 742 D N 0.958 121.394 120.400 0.060 0.000 2.144 742 D HA -0.053 4.599 4.640 0.020 0.000 0.200 742 D C 1.894 178.172 176.300 -0.037 0.000 0.978 742 D CA 1.673 55.677 54.000 0.008 0.000 0.833 742 D CB -0.395 40.429 40.800 0.040 0.000 0.961 742 D HN 0.459 nan 8.370 nan 0.000 0.470 743 T N -0.840 113.701 114.554 -0.022 0.000 2.684 743 T HA -0.225 4.137 4.350 0.020 0.000 0.267 743 T C 2.150 176.817 174.700 -0.055 0.000 1.036 743 T CA 1.282 63.362 62.100 -0.034 0.000 1.148 743 T CB -0.809 68.038 68.868 -0.036 0.000 0.863 743 T HN 0.376 nan 8.240 nan 0.000 0.436 744 C N 1.434 120.687 119.300 -0.079 0.000 2.413 744 C HA -0.033 4.439 4.460 0.020 0.000 0.276 744 C C 2.528 177.454 174.990 -0.107 0.000 1.236 744 C CA 0.439 59.400 59.018 -0.096 0.000 1.735 744 C CB -1.484 26.187 27.740 -0.114 0.000 2.031 744 C HN 0.363 nan 8.230 nan 0.000 0.474 745 L N 1.708 122.843 121.223 -0.148 0.000 2.083 745 L HA -0.096 4.256 4.340 0.020 0.000 0.209 745 L C 2.391 179.210 176.870 -0.084 0.000 1.083 745 L CA 1.774 56.509 54.840 -0.176 0.000 0.752 745 L CB -1.750 40.086 42.059 -0.371 0.000 0.899 745 L HN 0.509 nan 8.230 nan 0.000 0.433 746 N N -0.812 117.854 118.700 -0.055 0.000 2.142 746 N HA -0.134 4.617 4.740 0.020 0.000 0.186 746 N C 1.677 177.188 175.510 0.002 0.000 1.023 746 N CA 1.768 54.813 53.050 -0.009 0.000 0.852 746 N CB -0.057 38.432 38.487 0.002 0.000 0.998 746 N HN 0.340 nan 8.380 nan 0.000 0.424 747 T N 2.092 116.640 114.554 -0.011 0.000 2.746 747 T HA 0.007 4.369 4.350 0.020 0.000 0.267 747 T C 2.190 176.911 174.700 0.034 0.000 1.039 747 T CA 0.631 62.736 62.100 0.009 0.000 1.142 747 T CB -0.106 68.752 68.868 -0.016 0.000 0.866 747 T HN 0.131 nan 8.240 nan 0.000 0.444 748 L N 1.270 122.488 121.223 -0.009 0.000 2.044 748 L HA -0.093 4.259 4.340 0.020 0.000 0.205 748 L C 2.958 179.865 176.870 0.061 0.000 1.075 748 L CA 1.342 56.181 54.840 -0.001 0.000 0.747 748 L CB -0.766 41.256 42.059 -0.060 0.000 0.903 748 L HN 0.333 nan 8.230 nan 0.000 0.435 749 S N 0.200 115.923 115.700 0.037 0.000 2.359 749 S HA -0.168 4.314 4.470 0.020 0.000 0.224 749 S C 2.089 176.720 174.600 0.052 0.000 1.035 749 S CA 1.172 59.399 58.200 0.045 0.000 1.018 749 S CB -1.363 61.860 63.200 0.039 0.000 0.876 749 S HN 0.486 nan 8.310 nan 0.000 0.448 750 G N 0.312 109.145 108.800 0.055 0.000 2.421 750 G HA2 -0.217 3.755 3.960 0.020 0.000 0.216 750 G HA3 -0.217 3.755 3.960 0.020 0.000 0.216 750 G C 1.274 176.205 174.900 0.052 0.000 1.171 750 G CA 0.885 46.011 45.100 0.043 0.000 0.775 750 G HN 0.538 nan 8.290 nan 0.000 0.543 751 Y N 0.968 121.247 120.300 -0.035 0.000 2.128 751 Y HA -0.220 4.342 4.550 0.020 0.000 0.284 751 Y C 2.885 178.745 175.900 -0.067 0.000 1.154 751 Y CA 1.630 59.703 58.100 -0.046 0.000 1.149 751 Y CB -0.488 37.949 38.460 -0.039 0.000 0.976 751 Y HN 0.249 nan 8.280 nan 0.000 0.505 752 C N 0.461 119.867 119.300 0.177 0.000 2.432 752 C HA -0.134 4.338 4.460 0.020 0.000 0.280 752 C C 2.211 177.179 174.990 -0.037 0.000 1.353 752 C CA 0.977 60.036 59.018 0.068 0.000 1.766 752 C CB -1.036 26.756 27.740 0.087 0.000 1.924 752 C HN 0.581 nan 8.230 nan 0.000 0.509 753 D N 1.270 121.649 120.400 -0.034 0.000 2.144 753 D HA -0.045 4.607 4.640 0.020 0.000 0.200 753 D C 2.257 178.499 176.300 -0.097 0.000 0.978 753 D CA 1.555 55.525 54.000 -0.051 0.000 0.833 753 D CB -0.401 40.382 40.800 -0.030 0.000 0.961 753 D HN 0.508 nan 8.370 nan 0.000 0.470 754 A N 0.362 123.091 122.820 -0.150 0.000 2.014 754 A HA -0.040 4.292 4.320 0.020 0.000 0.218 754 A C 2.422 179.836 177.584 -0.283 0.000 1.163 754 A CA 0.607 52.521 52.037 -0.206 0.000 0.652 754 A CB -0.417 18.423 19.000 -0.267 0.000 0.808 754 A HN 0.113 nan 8.150 nan 0.000 0.449 755 V N 0.332 120.036 119.914 -0.351 0.000 2.244 755 V HA -0.251 3.881 4.120 0.020 0.000 0.244 755 V C 2.403 178.243 176.094 -0.423 0.000 1.042 755 V CA 2.290 64.260 62.300 -0.549 0.000 1.006 755 V CB -0.616 30.920 31.823 -0.479 0.000 0.641 755 V HN 0.522 nan 8.190 nan 0.000 0.446 756 K N 0.148 120.432 120.400 -0.193 0.000 2.211 756 K HA -0.267 4.065 4.320 0.020 0.000 0.204 756 K C 2.204 178.780 176.600 -0.040 0.000 1.047 756 K CA 1.765 58.015 56.287 -0.062 0.000 0.935 756 K CB -0.161 32.327 32.500 -0.022 0.000 0.728 756 K HN 0.690 nan 8.250 nan 0.000 0.452 757 Q N 0.731 120.486 119.800 -0.075 0.000 2.123 757 Q HA -0.093 4.259 4.340 0.020 0.000 0.199 757 Q C 1.719 177.703 176.000 -0.028 0.000 0.966 757 Q CA 2.116 57.892 55.803 -0.044 0.000 0.845 757 Q CB -0.278 28.429 28.738 -0.052 0.000 0.907 757 Q HN 0.157 nan 8.270 nan 0.000 0.439 758 S N -0.547 115.113 115.700 -0.067 0.000 2.522 758 S HA 0.253 4.735 4.470 0.020 0.000 0.227 758 S C 1.615 176.285 174.600 0.117 0.000 0.986 758 S CA 0.188 58.382 58.200 -0.011 0.000 0.929 758 S CB -0.016 63.141 63.200 -0.071 0.000 0.769 758 S HN 0.519 nan 8.310 nan 0.000 0.529 759 A N 0.777 123.678 122.820 0.135 0.000 2.415 759 A HA 0.619 4.950 4.320 0.020 0.000 0.248 759 A C 0.746 178.440 177.584 0.185 0.000 1.299 759 A CA -0.459 51.752 52.037 0.290 0.000 0.899 759 A CB -0.092 19.128 19.000 0.367 0.000 0.997 759 A HN 0.392 nan 8.150 nan 0.000 0.506 763 R N 1.543 122.076 120.500 0.055 0.000 1.904 763 R HA 0.706 5.057 4.340 0.020 0.000 0.178 763 R C 0.757 177.089 176.300 0.053 0.000 1.718 763 R CA 1.546 57.683 56.100 0.061 0.000 1.331 763 R CB -0.099 30.251 30.300 0.084 0.000 1.089 763 R HN 0.550 nan 8.270 nan 0.000 0.479 764 R N 0.080 120.635 120.500 0.092 0.000 2.774 764 R HA 0.600 4.952 4.340 0.020 0.000 0.272 764 R C 0.013 176.383 176.300 0.116 0.000 1.000 764 R CA -0.151 55.971 56.100 0.036 0.000 0.906 764 R CB 0.676 30.948 30.300 -0.046 0.000 1.227 764 R HN 0.376 nan 8.270 nan 0.000 0.468 765 R N -0.592 119.936 120.500 0.046 0.000 2.196 765 R HA 0.239 4.591 4.340 0.020 0.000 0.186 765 R C -0.050 176.373 176.300 0.205 0.000 1.163 765 R CA 0.974 57.178 56.100 0.174 0.000 1.146 765 R CB 0.976 31.350 30.300 0.123 0.000 1.113 765 R HN 0.647 nan 8.270 nan 0.000 0.513 766 T N 0.893 115.435 114.554 -0.020 0.000 2.867 766 T HA 0.478 4.840 4.350 0.020 0.000 0.282 766 T C -0.929 173.676 174.700 -0.158 0.000 1.000 766 T CA -0.182 61.913 62.100 -0.009 0.000 1.042 766 T CB 1.292 70.023 68.868 -0.228 0.000 0.973 766 T HN -0.076 nan 8.240 nan 0.000 0.465 767 F N 1.222 121.210 119.950 0.063 0.000 2.507 767 F HA 0.495 5.033 4.527 0.018 0.000 0.325 767 F C -0.266 175.592 175.800 0.096 0.000 1.116 767 F CA -1.021 57.019 58.000 0.067 0.000 0.930 767 F CB 1.836 40.895 39.000 0.099 0.000 1.146 767 F HN 0.203 nan 8.300 nan 0.000 0.447 768 V N 4.979 125.012 119.914 0.198 0.000 2.288 768 V HA 0.267 4.399 4.120 0.020 0.000 0.266 768 V C -0.287 175.940 176.094 0.223 0.000 1.048 768 V CA -0.732 61.678 62.300 0.184 0.000 0.842 768 V CB 0.779 32.612 31.823 0.017 0.000 1.064 768 V HN 0.461 nan 8.190 nan 0.000 0.472 769 V N 4.480 124.551 119.914 0.261 0.000 2.432 769 V HA 0.229 4.361 4.120 0.020 0.000 0.271 769 V C 0.529 176.712 176.094 0.149 0.000 1.046 769 V CA -0.282 62.136 62.300 0.197 0.000 0.945 769 V CB 1.396 33.331 31.823 0.187 0.000 0.992 769 V HN 0.915 nan 8.190 nan 0.000 0.471 770 E N 4.491 124.740 120.200 0.083 0.000 2.130 770 E HA 0.372 4.734 4.350 0.020 0.000 0.284 770 E C -1.183 175.411 176.600 -0.009 0.000 1.018 770 E CA -0.410 56.031 56.400 0.069 0.000 0.817 770 E CB 1.530 31.251 29.700 0.034 0.000 1.078 770 E HN 0.480 nan 8.360 nan 0.000 0.396 771 V N 5.371 125.288 119.914 0.005 0.000 2.394 771 V HA 0.110 4.242 4.120 0.020 0.000 0.282 771 V C -0.135 175.915 176.094 -0.074 0.000 1.031 771 V CA -0.405 61.860 62.300 -0.058 0.000 0.881 771 V CB 1.516 33.310 31.823 -0.048 0.000 0.982 771 V HN 0.732 nan 8.190 nan 0.000 0.451 772 Q N 3.641 123.370 119.800 -0.118 0.000 2.571 772 Q HA 0.390 4.741 4.340 0.020 0.000 0.222 772 Q C 0.797 176.719 176.000 -0.130 0.000 1.167 772 Q CA -0.107 55.616 55.803 -0.134 0.000 0.966 772 Q CB 1.056 29.682 28.738 -0.186 0.000 1.274 772 Q HN 0.928 nan 8.270 nan 0.000 0.552 773 G N 1.090 109.823 108.800 -0.112 0.000 4.044 773 G HA2 0.450 4.422 3.960 0.020 0.000 0.297 773 G HA3 0.450 4.422 3.960 0.020 0.000 0.297 773 G C 0.656 175.503 174.900 -0.089 0.000 1.101 773 G CA 0.135 45.175 45.100 -0.101 0.000 0.884 773 G HN 0.779 nan 8.290 nan 0.000 0.538 774 G N 0.413 109.151 108.800 -0.102 0.000 2.527 774 G HA2 -0.357 3.615 3.960 0.020 0.000 0.268 774 G HA3 -0.357 3.615 3.960 0.020 0.000 0.268 774 G C 0.469 175.281 174.900 -0.146 0.000 1.175 774 G CA 0.380 45.427 45.100 -0.089 0.000 0.962 774 G HN 0.314 nan 8.290 nan 0.000 0.560 775 Y N 1.543 121.818 120.300 -0.041 0.000 2.485 775 Y HA 0.579 5.141 4.550 0.020 0.000 0.260 775 Y C 1.645 177.553 175.900 0.013 0.000 1.173 775 Y CA 0.784 58.877 58.100 -0.012 0.000 1.252 775 Y CB 0.658 39.114 38.460 -0.007 0.000 1.123 775 Y HN 0.548 nan 8.280 nan 0.000 0.524 776 S N -0.709 115.056 115.700 0.110 0.000 2.472 776 S HA 0.492 4.974 4.470 0.020 0.000 0.303 776 S C 1.146 175.772 174.600 0.043 0.000 1.099 776 S CA -0.322 57.952 58.200 0.123 0.000 1.077 776 S CB 1.235 64.449 63.200 0.023 0.000 1.031 776 S HN 0.412 nan 8.310 nan 0.000 0.487 777 G N 2.709 111.630 108.800 0.202 0.000 2.920 777 G HA2 -0.001 3.971 3.960 0.020 0.000 0.208 777 G HA3 -0.001 3.971 3.960 0.020 0.000 0.208 777 G C 0.768 175.498 174.900 -0.284 0.000 1.159 777 G CA 0.097 45.270 45.100 0.122 0.000 0.784 777 G HN 0.852 nan 8.290 nan 0.000 0.535 778 Y N 0.783 120.432 120.300 -1.085 0.000 2.053 778 Y HA -0.181 4.382 4.550 0.021 0.000 0.277 778 Y C 2.394 177.973 175.900 -0.535 0.000 1.159 778 Y CA 1.592 58.897 58.100 -1.326 0.000 1.125 778 Y CB -0.208 37.533 38.460 -1.197 0.000 0.969 778 Y HN 0.117 nan 8.280 nan 0.000 0.492 779 L N -0.166 120.868 121.223 -0.315 0.000 1.971 779 L HA -0.308 4.044 4.340 0.020 0.000 0.215 779 L C 2.718 179.444 176.870 -0.239 0.000 1.072 779 L CA 1.808 56.489 54.840 -0.266 0.000 0.758 779 L CB -1.109 40.872 42.059 -0.130 0.000 0.889 779 L HN 0.508 nan 8.230 nan 0.000 0.433 780 A N -0.941 121.778 122.820 -0.168 0.000 1.883 780 A HA -0.238 4.094 4.320 0.020 0.000 0.217 780 A C 2.401 179.928 177.584 -0.095 0.000 1.186 780 A CA 2.282 54.261 52.037 -0.097 0.000 0.624 780 A CB -0.768 18.201 19.000 -0.053 0.000 0.822 780 A HN 0.517 nan 8.150 nan 0.000 0.444 781 S N -1.707 113.915 115.700 -0.129 0.000 2.348 781 S HA -0.172 4.310 4.470 0.020 0.000 0.221 781 S C 1.892 176.422 174.600 -0.117 0.000 1.033 781 S CA 1.552 59.704 58.200 -0.079 0.000 1.010 781 S CB -0.621 62.591 63.200 0.020 0.000 0.891 781 S HN 0.621 nan 8.310 nan 0.000 0.442 782 Y N 2.357 122.422 120.300 -0.392 0.000 2.097 782 Y HA -0.216 4.345 4.550 0.019 0.000 0.282 782 Y C 2.600 178.376 175.900 -0.207 0.000 1.152 782 Y CA 0.969 58.850 58.100 -0.366 0.000 1.136 782 Y CB -1.080 36.992 38.460 -0.647 0.000 0.975 782 Y HN 0.218 nan 8.280 nan 0.000 0.498 783 A N -0.199 122.653 122.820 0.054 0.000 1.917 783 A HA -0.188 4.143 4.320 0.020 0.000 0.219 783 A C 2.563 180.160 177.584 0.021 0.000 1.182 783 A CA 2.007 54.061 52.037 0.028 0.000 0.633 783 A CB -1.710 17.271 19.000 -0.032 0.000 0.819 783 A HN 0.587 nan 8.150 nan 0.000 0.448 784 G N -0.142 108.651 108.800 -0.011 0.000 2.459 784 G HA2 -0.224 3.748 3.960 0.020 0.000 0.217 784 G HA3 -0.224 3.748 3.960 0.020 0.000 0.217 784 G C 1.562 176.441 174.900 -0.036 0.000 1.183 784 G CA 1.254 46.337 45.100 -0.028 0.000 0.776 784 G HN 0.584 nan 8.290 nan 0.000 0.552 785 L N 1.292 122.487 121.223 -0.047 0.000 1.990 785 L HA -0.098 4.254 4.340 0.020 0.000 0.213 785 L C 2.734 179.583 176.870 -0.035 0.000 1.072 785 L CA 2.257 57.059 54.840 -0.063 0.000 0.755 785 L CB -0.359 41.641 42.059 -0.098 0.000 0.889 785 L HN 0.477 nan 8.230 nan 0.000 0.432 786 I N -3.208 117.377 120.570 0.024 0.000 3.001 786 I HA -0.076 4.106 4.170 0.020 0.000 0.268 786 I C 1.744 177.874 176.117 0.021 0.000 1.267 786 I CA 1.367 62.698 61.300 0.052 0.000 1.472 786 I CB -0.830 37.264 38.000 0.157 0.000 1.089 786 I HN 0.432 nan 8.210 nan 0.000 0.468 787 T N -2.738 111.822 114.554 0.010 0.000 3.023 787 T HA 0.410 4.772 4.350 0.020 0.000 0.253 787 T C 1.467 176.157 174.700 -0.016 0.000 1.038 787 T CA 0.271 62.374 62.100 0.006 0.000 0.962 787 T CB 0.141 69.024 68.868 0.026 0.000 1.018 787 T HN 0.691 nan 8.240 nan 0.000 0.521 788 G N 1.760 110.536 108.800 -0.040 0.000 2.272 788 G HA2 0.024 3.995 3.960 0.020 0.000 0.280 788 G HA3 0.024 3.995 3.960 0.020 0.000 0.280 788 G C 0.232 175.102 174.900 -0.050 0.000 1.067 788 G CA -0.130 44.931 45.100 -0.064 0.000 0.902 788 G HN 1.188 nan 8.290 nan 0.000 0.500 789 A N -0.618 122.174 122.820 -0.046 0.000 2.462 789 A HA 0.695 5.027 4.320 0.020 0.000 0.243 789 A C 1.546 179.047 177.584 -0.139 0.000 1.076 789 A CA 0.364 52.369 52.037 -0.053 0.000 0.773 789 A CB 0.420 19.398 19.000 -0.037 0.000 1.010 789 A HN 0.710 nan 8.150 nan 0.000 0.493 790 L N 1.318 122.409 121.223 -0.220 0.000 1.973 790 L HA -0.004 4.347 4.340 0.020 0.000 0.208 790 L C 1.504 178.089 176.870 -0.475 0.000 1.073 790 L CA 1.664 56.303 54.840 -0.334 0.000 0.746 790 L CB -0.291 41.519 42.059 -0.415 0.000 0.891 790 L HN 0.815 nan 8.230 nan 0.000 0.433 791 A N -0.962 121.369 122.820 -0.815 0.000 2.355 791 A HA 0.629 4.960 4.320 0.020 0.000 0.324 791 A C -1.137 176.153 177.584 -0.490 0.000 1.117 791 A CA -0.349 51.262 52.037 -0.710 0.000 0.785 791 A CB 1.801 20.250 19.000 -0.918 0.000 1.254 791 A HN -0.066 nan 8.150 nan 0.000 0.453 792 V N 2.284 121.935 119.914 -0.437 0.000 2.483 792 V HA 0.321 4.453 4.120 0.020 0.000 0.297 792 V C -1.486 174.396 176.094 -0.353 0.000 1.027 792 V CA -0.338 61.810 62.300 -0.254 0.000 0.855 792 V CB 0.988 32.731 31.823 -0.133 0.000 0.995 792 V HN 0.763 nan 8.190 nan 0.000 0.424 793 Y N 3.138 123.404 120.300 -0.057 0.000 2.341 793 Y HA 0.611 5.173 4.550 0.020 0.000 0.340 793 Y C 0.901 176.690 175.900 -0.186 0.000 0.997 793 Y CA -0.424 57.587 58.100 -0.148 0.000 1.149 793 Y CB 1.709 39.990 38.460 -0.299 0.000 1.171 793 Y HN 0.723 nan 8.280 nan 0.000 0.494 794 T N 0.429 114.988 114.554 0.009 0.000 2.903 794 T HA 0.339 4.701 4.350 0.020 0.000 0.299 794 T C -2.364 172.363 174.700 0.046 0.000 1.093 794 T CA -2.431 59.684 62.100 0.025 0.000 1.002 794 T CB 2.388 71.308 68.868 0.087 0.000 1.127 794 T HN 0.220 nan 8.240 nan 0.000 0.488 795 P HA -0.034 nan 4.420 nan 0.000 0.220 795 P C 0.872 178.210 177.300 0.063 0.000 1.148 795 P CA 1.062 64.204 63.100 0.070 0.000 0.803 795 P CB 0.208 31.969 31.700 0.101 0.000 0.782 796 E N -0.039 120.212 120.200 0.085 0.000 2.150 796 E HA -0.085 4.276 4.350 0.020 0.000 0.193 796 E C 0.210 176.826 176.600 0.027 0.000 0.985 796 E CA 0.874 57.308 56.400 0.057 0.000 0.814 796 E CB -0.635 29.118 29.700 0.089 0.000 0.752 796 E HN 0.417 nan 8.360 nan 0.000 0.466 797 N N 0.697 119.416 118.700 0.031 0.000 2.392 797 N HA 0.287 5.039 4.740 0.020 0.000 0.283 797 N C -2.747 172.775 175.510 0.022 0.000 1.003 797 N CA -1.653 51.402 53.050 0.008 0.000 0.892 797 N CB 1.551 40.030 38.487 -0.014 0.000 1.193 797 N HN -0.178 nan 8.380 nan 0.000 0.487 798 P HA 0.149 nan 4.420 nan 0.000 0.268 798 P C -0.716 176.603 177.300 0.031 0.000 1.204 798 P CA 0.115 63.234 63.100 0.032 0.000 0.768 798 P CB 0.581 32.294 31.700 0.021 0.000 0.842 799 I N 3.116 123.718 120.570 0.053 0.000 2.362 799 I HA 0.437 4.619 4.170 0.020 0.000 0.289 799 I C 0.402 176.415 176.117 -0.174 0.000 0.994 799 I CA -0.314 60.973 61.300 -0.022 0.000 1.158 799 I CB 1.295 39.347 38.000 0.087 0.000 1.315 799 I HN 0.464 nan 8.210 nan 0.000 0.451 800 N N 4.486 122.983 118.700 -0.338 0.000 3.039 800 N HA 0.424 5.176 4.740 0.020 0.000 0.257 800 N C 0.060 175.389 175.510 -0.302 0.000 1.497 800 N CA -0.992 51.884 53.050 -0.291 0.000 0.861 800 N CB 0.945 39.422 38.487 -0.018 0.000 1.479 800 N HN 0.334 nan 8.380 nan 0.000 0.547 801 L N -1.241 119.943 121.223 -0.065 0.000 2.081 801 L HA -0.190 4.162 4.340 0.020 0.000 0.212 801 L C 2.450 179.314 176.870 -0.011 0.000 1.080 801 L CA 1.688 56.530 54.840 0.003 0.000 0.754 801 L CB -0.493 41.614 42.059 0.079 0.000 0.893 801 L HN 0.733 nan 8.230 nan 0.000 0.433 802 Q N 0.152 119.945 119.800 -0.012 0.000 2.020 802 Q HA -0.168 4.183 4.340 0.020 0.000 0.198 802 Q C 2.254 178.246 176.000 -0.014 0.000 0.974 802 Q CA 2.598 58.398 55.803 -0.005 0.000 0.829 802 Q CB -0.451 28.286 28.738 -0.000 0.000 0.894 802 Q HN 0.551 nan 8.270 nan 0.000 0.433 803 T N -2.097 112.435 114.554 -0.037 0.000 2.720 803 T HA -0.141 4.221 4.350 0.020 0.000 0.268 803 T C 1.861 176.566 174.700 0.009 0.000 1.037 803 T CA 1.659 63.743 62.100 -0.026 0.000 1.144 803 T CB -0.920 67.926 68.868 -0.037 0.000 0.864 803 T HN 0.081 nan 8.240 nan 0.000 0.444 804 V N 1.898 121.800 119.914 -0.020 0.000 2.295 804 V HA -0.213 3.919 4.120 0.020 0.000 0.246 804 V C 3.023 179.166 176.094 0.081 0.000 1.049 804 V CA 2.192 64.519 62.300 0.045 0.000 1.024 804 V CB -0.946 30.846 31.823 -0.052 0.000 0.648 804 V HN 0.540 nan 8.190 nan 0.000 0.447 805 Q N -0.495 119.333 119.800 0.047 0.000 2.096 805 Q HA -0.260 4.092 4.340 0.020 0.000 0.204 805 Q C 2.325 178.364 176.000 0.064 0.000 0.982 805 Q CA 2.014 57.852 55.803 0.057 0.000 0.850 805 Q CB -0.154 28.608 28.738 0.039 0.000 0.901 805 Q HN 0.706 nan 8.270 nan 0.000 0.422 806 E N 0.362 120.590 120.200 0.047 0.000 2.051 806 E HA -0.190 4.172 4.350 0.020 0.000 0.192 806 E C 1.689 178.324 176.600 0.058 0.000 0.991 806 E CA 1.197 57.618 56.400 0.036 0.000 0.799 806 E CB 0.029 29.734 29.700 0.009 0.000 0.748 806 E HN 0.358 nan 8.360 nan 0.000 0.449 807 D N 0.812 121.267 120.400 0.092 0.000 2.104 807 D HA -0.174 4.478 4.640 0.020 0.000 0.194 807 D C 2.004 178.448 176.300 0.240 0.000 0.994 807 D CA 0.918 55.015 54.000 0.162 0.000 0.830 807 D CB -0.143 40.852 40.800 0.325 0.000 0.959 807 D HN 0.146 nan 8.370 nan 0.000 0.452 808 I N 1.314 122.010 120.570 0.210 0.000 2.226 808 I HA -0.206 3.976 4.170 0.020 0.000 0.245 808 I C 2.466 178.688 176.117 0.176 0.000 1.100 808 I CA 0.977 62.394 61.300 0.194 0.000 1.374 808 I CB -1.091 37.006 38.000 0.162 0.000 1.057 808 I HN 0.130 nan 8.210 nan 0.000 0.413 809 E N 0.975 121.251 120.200 0.126 0.000 2.085 809 E HA -0.270 4.092 4.350 0.020 0.000 0.194 809 E C 2.300 178.958 176.600 0.097 0.000 0.994 809 E CA 1.311 57.771 56.400 0.100 0.000 0.801 809 E CB -0.050 29.687 29.700 0.061 0.000 0.743 809 E HN 0.282 nan 8.360 nan 0.000 0.453 810 L N 0.915 122.188 121.223 0.082 0.000 1.994 810 L HA -0.157 4.195 4.340 0.020 0.000 0.208 810 L C 2.379 179.313 176.870 0.107 0.000 1.071 810 L CA 1.578 56.452 54.840 0.057 0.000 0.745 810 L CB -0.870 41.195 42.059 0.009 0.000 0.892 810 L HN 0.299 nan 8.230 nan 0.000 0.431 811 L N -0.811 120.511 121.223 0.164 0.000 2.013 811 L HA -0.222 4.130 4.340 0.020 0.000 0.212 811 L C 2.324 179.343 176.870 0.248 0.000 1.073 811 L CA 2.580 57.541 54.840 0.202 0.000 0.753 811 L CB -1.078 41.070 42.059 0.149 0.000 0.890 811 L HN 0.405 nan 8.230 nan 0.000 0.432 812 T N -0.709 114.001 114.554 0.259 0.000 2.643 812 T HA -0.237 4.125 4.350 0.020 0.000 0.264 812 T C 2.046 176.891 174.700 0.242 0.000 1.045 812 T CA 1.731 64.026 62.100 0.325 0.000 1.155 812 T CB -0.312 68.710 68.868 0.256 0.000 0.863 812 T HN 0.310 nan 8.240 nan 0.000 0.420 813 R N 0.206 120.797 120.500 0.151 0.000 2.152 813 R HA -0.084 4.268 4.340 0.020 0.000 0.232 813 R C 2.475 178.827 176.300 0.086 0.000 1.117 813 R CA 1.358 57.512 56.100 0.090 0.000 0.981 813 R CB -0.316 30.004 30.300 0.034 0.000 0.870 813 R HN 0.323 nan 8.270 nan 0.000 0.451 814 T N -0.516 114.110 114.554 0.120 0.000 2.732 814 T HA -0.125 4.237 4.350 0.020 0.000 0.261 814 T C 1.292 176.051 174.700 0.098 0.000 1.040 814 T CA 1.223 63.377 62.100 0.090 0.000 1.145 814 T CB -0.350 68.575 68.868 0.095 0.000 0.866 814 T HN 0.276 nan 8.240 nan 0.000 0.427 815 Y N 2.187 122.553 120.300 0.110 0.000 2.274 815 Y HA -0.090 4.478 4.550 0.030 0.000 0.290 815 Y C 1.972 177.945 175.900 0.122 0.000 1.145 815 Y CA 1.050 59.234 58.100 0.140 0.000 1.203 815 Y CB -0.141 38.457 38.460 0.230 0.000 0.984 815 Y HN 0.424 nan 8.280 nan 0.000 0.533 816 E N -0.036 120.306 120.200 0.237 0.000 2.351 816 E HA 0.060 4.422 4.350 0.020 0.000 0.236 816 E C 0.135 176.786 176.600 0.086 0.000 1.341 816 E CA 0.278 56.767 56.400 0.147 0.000 1.579 816 E CB 0.001 29.774 29.700 0.122 0.000 1.393 816 E HN 0.549 nan 8.360 nan 0.000 0.438 817 E N 0.012 120.257 120.200 0.074 0.000 2.662 817 E HA 0.029 4.391 4.350 0.020 0.000 0.205 817 E C 0.207 176.832 176.600 0.041 0.000 1.003 817 E CA 0.510 56.937 56.400 0.044 0.000 1.685 817 E CB 0.210 29.926 29.700 0.028 0.000 2.386 817 E HN 0.435 nan 8.360 nan 0.000 1.092 818 D N 1.183 121.599 120.400 0.026 0.000 2.449 818 D HA 0.417 5.068 4.640 0.020 0.000 0.236 818 D C -0.080 176.239 176.300 0.033 0.000 1.149 818 D CA 1.025 55.026 54.000 0.002 0.000 0.878 818 D CB 0.158 40.903 40.800 -0.091 0.000 1.198 818 D HN 0.292 nan 8.370 nan 0.000 0.446 824 S N -0.194 115.505 115.700 -0.001 0.000 2.810 824 S HA 1.017 5.499 4.470 0.020 0.000 0.315 824 S C 0.317 174.931 174.600 0.022 0.000 1.138 824 S CA -0.451 57.738 58.200 -0.018 0.000 0.889 824 S CB 2.124 65.299 63.200 -0.041 0.000 1.236 824 S HN 2.381 nan 8.310 nan 0.000 0.548 825 G N 1.493 110.313 108.800 0.035 0.000 3.306 825 G HA2 0.084 4.056 3.960 0.020 0.000 0.672 825 G HA3 0.084 4.056 3.960 0.020 0.000 0.672 825 G C -1.502 173.480 174.900 0.137 0.000 1.212 825 G CA -0.914 44.270 45.100 0.140 0.000 1.150 825 G HN 0.274 nan 8.290 nan 0.000 0.509 826 K N 0.818 121.356 120.400 0.230 0.000 2.118 826 K HA 0.845 5.176 4.320 0.020 0.000 0.254 826 K C 0.624 177.419 176.600 0.325 0.000 0.961 826 K CA -0.900 55.528 56.287 0.235 0.000 0.876 826 K CB 1.985 34.635 32.500 0.250 0.000 1.077 826 K HN 1.119 nan 8.250 nan 0.000 0.440 827 I N -2.013 118.732 120.570 0.292 0.000 2.785 827 I HA 0.619 4.801 4.170 0.020 0.000 0.302 827 I C -1.127 175.240 176.117 0.416 0.000 1.069 827 I CA -0.835 60.680 61.300 0.358 0.000 1.045 827 I CB 1.547 39.692 38.000 0.241 0.000 1.236 827 I HN 0.148 nan 8.210 nan 0.000 0.429 828 F N 5.006 125.054 119.950 0.163 0.000 2.520 828 F HA 0.624 5.162 4.527 0.018 0.000 0.322 828 F C -0.259 175.663 175.800 0.204 0.000 1.103 828 F CA -0.846 57.266 58.000 0.186 0.000 0.926 828 F CB 2.046 41.213 39.000 0.278 0.000 1.154 828 F HN 0.322 nan 8.300 nan 0.000 0.453 829 I N 4.032 124.776 120.570 0.290 0.000 2.328 829 I HA 0.180 4.362 4.170 0.020 0.000 0.287 829 I C -0.536 175.771 176.117 0.316 0.000 1.012 829 I CA -0.381 61.058 61.300 0.232 0.000 1.195 829 I CB 0.732 38.791 38.000 0.097 0.000 1.350 829 I HN 0.484 nan 8.210 nan 0.000 0.464 830 H N 6.649 125.862 119.070 0.238 0.000 2.581 830 H HA 0.246 4.813 4.556 0.019 0.000 0.308 830 H C -0.654 174.733 175.328 0.098 0.000 1.040 830 H CA -0.655 55.526 56.048 0.222 0.000 1.231 830 H CB 1.186 31.024 29.762 0.127 0.000 1.396 830 H HN 0.509 nan 8.280 nan 0.000 0.467 831 N N 3.842 122.500 118.700 -0.070 0.000 2.452 831 N HA -0.096 4.656 4.740 0.020 0.000 0.266 831 N C 1.515 177.033 175.510 0.013 0.000 1.175 831 N CA -0.028 52.998 53.050 -0.040 0.000 0.945 831 N CB 0.733 39.176 38.487 -0.074 0.000 1.063 831 N HN 0.690 nan 8.380 nan 0.000 0.472 832 E N 2.882 123.103 120.200 0.035 0.000 2.197 832 E HA -0.300 4.061 4.350 0.020 0.000 0.205 832 E C -0.294 176.284 176.600 -0.036 0.000 1.029 832 E CA 1.641 58.056 56.400 0.024 0.000 0.828 832 E CB -0.002 29.670 29.700 -0.046 0.000 0.737 832 E HN 0.386 nan 8.360 nan 0.000 0.464 833 K N -0.301 120.009 120.400 -0.150 0.000 2.526 833 K HA 0.423 4.755 4.320 0.020 0.000 0.214 833 K C 0.030 176.542 176.600 -0.148 0.000 1.088 833 K CA 0.419 56.548 56.287 -0.263 0.000 1.058 833 K CB 0.959 33.011 32.500 -0.746 0.000 1.653 833 K HN 0.233 nan 8.250 nan 0.000 0.521 834 A N -0.204 122.589 122.820 -0.046 0.000 1.999 834 A HA 0.278 4.610 4.320 0.020 0.000 0.200 834 A C 0.392 178.016 177.584 0.068 0.000 1.363 834 A CA 0.190 52.212 52.037 -0.025 0.000 0.844 834 A CB 0.534 19.429 19.000 -0.175 0.000 0.954 834 A HN 0.330 nan 8.150 nan 0.000 0.481 835 S N -0.982 114.793 115.700 0.125 0.000 2.536 835 S HA 0.407 4.888 4.470 0.020 0.000 0.271 835 S C 0.158 174.825 174.600 0.111 0.000 1.134 835 S CA 0.014 58.308 58.200 0.157 0.000 0.897 835 S CB 1.519 64.878 63.200 0.265 0.000 1.094 835 S HN 0.437 nan 8.310 nan 0.000 0.473 836 K N 2.462 122.906 120.400 0.072 0.000 2.459 836 K HA 0.215 4.547 4.320 0.020 0.000 0.193 836 K C 0.739 177.323 176.600 -0.027 0.000 1.030 836 K CA 0.746 57.050 56.287 0.030 0.000 1.026 836 K CB 0.038 32.560 32.500 0.036 0.000 0.809 836 K HN 0.323 nan 8.250 nan 0.000 0.504 837 V N -0.111 119.764 119.914 -0.065 0.000 2.695 837 V HA 0.031 4.163 4.120 0.020 0.000 0.230 837 V C 0.346 176.273 176.094 -0.279 0.000 1.110 837 V CA 0.212 62.359 62.300 -0.255 0.000 1.159 837 V CB -0.395 31.149 31.823 -0.466 0.000 0.875 837 V HN 0.133 nan 8.190 nan 0.000 0.502 838 Y N 3.416 123.726 120.300 0.016 0.000 2.570 838 Y HA 0.376 4.938 4.550 0.020 0.000 0.336 838 Y C 1.147 177.054 175.900 0.012 0.000 1.284 838 Y CA -0.432 57.662 58.100 -0.009 0.000 1.761 838 Y CB -0.926 37.541 38.460 0.012 0.000 1.724 838 Y HN 0.335 nan 8.280 nan 0.000 0.455 839 T N -3.431 111.104 114.554 -0.031 0.000 2.824 839 T HA 0.107 4.468 4.350 0.020 0.000 0.277 839 T C 1.457 175.771 174.700 -0.644 0.000 0.975 839 T CA -0.443 61.531 62.100 -0.210 0.000 0.966 839 T CB 1.145 69.933 68.868 -0.134 0.000 1.054 839 T HN 0.446 nan 8.240 nan 0.000 0.533 840 T N 0.775 114.792 114.554 -0.896 0.000 2.699 840 T HA -0.124 4.238 4.350 0.020 0.000 0.268 840 T C 1.444 175.935 174.700 -0.347 0.000 1.036 840 T CA 1.840 63.523 62.100 -0.696 0.000 1.147 840 T CB -0.621 68.038 68.868 -0.349 0.000 0.862 840 T HN 0.667 nan 8.240 nan 0.000 0.446 841 D N 0.504 120.758 120.400 -0.244 0.000 2.117 841 D HA -0.017 4.634 4.640 0.020 0.000 0.198 841 D C 1.936 178.149 176.300 -0.145 0.000 0.982 841 D CA 0.494 54.400 54.000 -0.156 0.000 0.828 841 D CB -0.394 40.339 40.800 -0.111 0.000 0.967 841 D HN 0.172 nan 8.370 nan 0.000 0.464 842 L N 0.460 121.594 121.223 -0.149 0.000 2.072 842 L HA -0.072 4.279 4.340 0.020 0.000 0.205 842 L C 1.909 178.726 176.870 -0.089 0.000 1.079 842 L CA 1.151 55.932 54.840 -0.098 0.000 0.752 842 L CB -0.367 41.644 42.059 -0.080 0.000 0.906 842 L HN -0.023 nan 8.230 nan 0.000 0.436 843 I N 0.270 120.748 120.570 -0.153 0.000 2.163 843 I HA -0.301 3.880 4.170 0.020 0.000 0.243 843 I C 2.690 178.698 176.117 -0.183 0.000 1.085 843 I CA 1.581 62.775 61.300 -0.177 0.000 1.347 843 I CB -1.853 35.941 38.000 -0.343 0.000 1.044 843 I HN 0.362 nan 8.210 nan 0.000 0.408 844 A N 0.884 123.585 122.820 -0.199 0.000 1.908 844 A HA -0.159 4.172 4.320 0.020 0.000 0.218 844 A C 2.556 180.057 177.584 -0.138 0.000 1.181 844 A CA 2.203 54.126 52.037 -0.189 0.000 0.627 844 A CB -0.811 18.090 19.000 -0.164 0.000 0.818 844 A HN 0.449 nan 8.150 nan 0.000 0.445 845 A N -0.481 122.276 122.820 -0.105 0.000 1.969 845 A HA -0.025 4.307 4.320 0.020 0.000 0.218 845 A C 2.096 179.652 177.584 -0.047 0.000 1.169 845 A CA 1.469 53.463 52.037 -0.071 0.000 0.635 845 A CB -0.507 18.456 19.000 -0.062 0.000 0.810 845 A HN 0.508 nan 8.150 nan 0.000 0.445 846 I N -0.645 119.902 120.570 -0.039 0.000 2.406 846 I HA -0.172 4.010 4.170 0.020 0.000 0.249 846 I C 2.179 178.300 176.117 0.006 0.000 1.122 846 I CA 0.861 62.159 61.300 -0.003 0.000 1.431 846 I CB -0.194 37.824 38.000 0.030 0.000 1.087 846 I HN 0.279 nan 8.210 nan 0.000 0.424 847 I N 0.665 121.212 120.570 -0.038 0.000 2.226 847 I HA -0.230 3.951 4.170 0.020 0.000 0.245 847 I C 2.665 178.851 176.117 0.116 0.000 1.100 847 I CA 1.666 62.959 61.300 -0.012 0.000 1.374 847 I CB -0.879 36.970 38.000 -0.251 0.000 1.057 847 I HN 0.256 nan 8.210 nan 0.000 0.413 848 G N 0.018 108.828 108.800 0.018 0.000 2.459 848 G HA2 -0.300 3.672 3.960 0.020 0.000 0.217 848 G HA3 -0.300 3.672 3.960 0.020 0.000 0.217 848 G C 1.555 176.445 174.900 -0.017 0.000 1.183 848 G CA 0.824 45.929 45.100 0.008 0.000 0.776 848 G HN 0.414 nan 8.290 nan 0.000 0.552 849 E N 0.449 120.637 120.200 -0.020 0.000 2.338 849 E HA 0.233 4.595 4.350 0.020 0.000 0.197 849 E C 1.471 178.045 176.600 -0.043 0.000 1.007 849 E CA 0.046 56.425 56.400 -0.035 0.000 0.849 849 E CB -0.090 29.597 29.700 -0.022 0.000 0.774 849 E HN 0.409 nan 8.360 nan 0.000 0.506 850 A N 0.029 122.846 122.820 -0.005 0.000 2.477 850 A HA 0.415 4.747 4.320 0.020 0.000 0.246 850 A C 1.034 178.494 177.584 -0.206 0.000 1.078 850 A CA 0.476 52.515 52.037 0.003 0.000 0.770 850 A CB -0.043 19.074 19.000 0.196 0.000 1.011 850 A HN 0.344 nan 8.150 nan 0.000 0.494 851 G N 0.024 108.720 108.800 -0.175 0.000 2.198 851 G HA2 0.203 4.174 3.960 0.020 0.000 0.257 851 G HA3 0.203 4.174 3.960 0.020 0.000 0.257 851 G C 0.908 175.676 174.900 -0.219 0.000 1.042 851 G CA 1.159 46.109 45.100 -0.250 0.000 0.791 851 G HN 2.585 nan 8.290 nan 0.000 0.502 852 K N -1.277 119.037 120.400 -0.142 0.000 3.077 852 K HA 0.344 4.675 4.320 0.020 0.000 0.264 852 K C 2.134 178.654 176.600 -0.133 0.000 1.008 852 K CA 1.891 58.112 56.287 -0.109 0.000 0.740 852 K CB -2.053 30.398 32.500 -0.083 0.000 1.273 852 K HN 2.878 nan 8.250 nan 0.000 0.477 853 G N -1.146 107.551 108.800 -0.171 0.000 2.470 853 G HA2 -0.199 3.773 3.960 0.020 0.000 0.286 853 G HA3 -0.199 3.773 3.960 0.020 0.000 0.286 853 G C 0.461 175.202 174.900 -0.265 0.000 1.115 853 G CA 0.958 45.950 45.100 -0.179 0.000 1.122 853 G HN 1.137 nan 8.290 nan 0.000 0.522 854 R N -0.574 119.629 120.500 -0.495 0.000 2.064 854 R HA 0.358 4.709 4.340 0.020 0.000 0.221 854 R C 0.937 176.890 176.300 -0.579 0.000 1.136 854 R CA 1.453 57.163 56.100 -0.650 0.000 0.980 854 R CB 0.035 29.711 30.300 -1.040 0.000 0.876 854 R HN 0.546 nan 8.270 nan 0.000 0.437 855 F N -0.138 119.704 119.950 -0.180 0.000 2.575 855 F HA 0.483 5.021 4.527 0.018 0.000 0.330 855 F C -0.526 175.165 175.800 -0.181 0.000 1.056 855 F CA -1.480 56.381 58.000 -0.233 0.000 0.964 855 F CB 0.697 39.436 39.000 -0.434 0.000 1.258 855 F HN -0.269 nan 8.300 nan 0.000 0.484 856 E N 1.546 121.777 120.200 0.051 0.000 2.046 856 E HA 0.254 4.616 4.350 0.020 0.000 0.279 856 E C -0.725 175.803 176.600 -0.119 0.000 0.989 856 E CA -0.328 56.050 56.400 -0.036 0.000 0.798 856 E CB 1.486 31.158 29.700 -0.045 0.000 1.086 856 E HN 0.709 nan 8.360 nan 0.000 0.399 857 S N 4.350 119.970 115.700 -0.134 0.000 2.562 857 S HA 0.546 5.028 4.470 0.020 0.000 0.275 857 S C 0.113 174.526 174.600 -0.311 0.000 1.281 857 S CA -0.879 57.177 58.200 -0.240 0.000 1.045 857 S CB 1.672 64.759 63.200 -0.189 0.000 0.962 857 S HN 0.304 nan 8.310 nan 0.000 0.503 858 R N 1.326 121.535 120.500 -0.486 0.000 2.725 858 R HA 0.527 4.879 4.340 0.020 0.000 0.277 858 R C -0.547 175.607 176.300 -0.245 0.000 0.987 858 R CA -0.553 55.269 56.100 -0.464 0.000 0.901 858 R CB 1.785 31.572 30.300 -0.855 0.000 1.207 858 R HN 0.946 nan 8.270 nan 0.000 0.463 859 T N -1.447 113.075 114.554 -0.054 0.000 2.928 859 T HA 0.824 5.186 4.350 0.020 0.000 0.284 859 T C -0.134 174.690 174.700 0.207 0.000 1.008 859 T CA -0.784 61.352 62.100 0.059 0.000 1.057 859 T CB 1.887 70.755 68.868 0.000 0.000 1.018 859 T HN 0.591 nan 8.240 nan 0.000 0.493 860 A N 1.603 124.568 122.820 0.242 0.000 2.408 860 A HA 0.656 4.988 4.320 0.020 0.000 0.295 860 A C -0.762 176.912 177.584 0.150 0.000 1.040 860 A CA -0.881 51.325 52.037 0.282 0.000 0.707 860 A CB 1.579 20.823 19.000 0.406 0.000 1.235 860 A HN 1.035 nan 8.150 nan 0.000 0.418 861 V N 3.521 123.499 119.914 0.106 0.000 2.315 861 V HA 0.278 4.409 4.120 0.020 0.000 0.265 861 V C -1.825 174.213 176.094 -0.094 0.000 1.019 861 V CA -0.990 61.305 62.300 -0.008 0.000 0.824 861 V CB 0.558 32.384 31.823 0.004 0.000 1.072 861 V HN 0.758 nan 8.190 nan 0.000 0.448 862 P HA -0.052 nan 4.420 nan 0.000 0.215 862 P C 1.347 178.515 177.300 -0.219 0.000 1.157 862 P CA 2.090 64.855 63.100 -0.559 0.000 0.874 862 P CB 0.097 31.211 31.700 -0.978 0.000 0.790 863 G N -0.496 108.179 108.800 -0.208 0.000 2.561 863 G HA2 -0.373 3.599 3.960 0.020 0.000 0.289 863 G HA3 -0.373 3.599 3.960 0.020 0.000 0.289 863 G C 0.723 175.496 174.900 -0.212 0.000 1.169 863 G CA 0.816 45.810 45.100 -0.176 0.000 0.980 863 G HN 0.373 nan 8.290 nan 0.000 0.550 864 H N -0.092 118.944 119.070 -0.057 0.000 2.560 864 H HA 0.209 4.777 4.556 0.020 0.000 0.283 864 H C 2.453 177.752 175.328 -0.050 0.000 1.028 864 H CA 1.032 57.051 56.048 -0.048 0.000 1.221 864 H CB 0.019 29.761 29.762 -0.033 0.000 1.363 864 H HN 0.328 nan 8.280 nan 0.000 0.594 865 V N 0.263 120.187 119.914 0.017 0.000 2.970 865 V HA -0.214 3.917 4.120 0.020 0.000 0.260 865 V C 1.776 177.846 176.094 -0.040 0.000 1.100 865 V CA 1.409 63.710 62.300 0.002 0.000 1.122 865 V CB -0.214 31.622 31.823 0.022 0.000 0.721 865 V HN 0.516 nan 8.190 nan 0.000 0.483 866 Q N -0.301 119.443 119.800 -0.092 0.000 2.308 866 Q HA -0.267 4.084 4.340 0.020 0.000 0.209 866 Q C 2.229 178.181 176.000 -0.080 0.000 0.985 866 Q CA 1.939 57.676 55.803 -0.110 0.000 0.881 866 Q CB -0.089 28.558 28.738 -0.151 0.000 0.917 866 Q HN 0.811 nan 8.270 nan 0.000 0.443 867 Q N -0.392 119.374 119.800 -0.057 0.000 2.297 867 Q HA 0.038 4.390 4.340 0.020 0.000 0.204 867 Q C 0.859 176.829 176.000 -0.049 0.000 0.962 867 Q CA 0.928 56.700 55.803 -0.052 0.000 0.879 867 Q CB -0.128 28.588 28.738 -0.036 0.000 0.947 867 Q HN 0.221 nan 8.270 nan 0.000 0.462 868 G N 1.606 110.383 108.800 -0.037 0.000 2.758 868 G HA2 -0.291 3.681 3.960 0.020 0.000 0.686 868 G HA3 -0.291 3.681 3.960 0.020 0.000 0.686 868 G C -0.222 174.656 174.900 -0.038 0.000 1.389 868 G CA 0.086 45.166 45.100 -0.033 0.000 0.845 868 G HN 0.217 nan 8.290 nan 0.000 0.572 869 K N -0.419 119.958 120.400 -0.037 0.000 2.021 869 K HA 0.245 4.577 4.320 0.020 0.000 0.205 869 K C 1.150 177.710 176.600 -0.067 0.000 1.047 869 K CA 1.487 57.745 56.287 -0.048 0.000 0.943 869 K CB -0.031 32.443 32.500 -0.043 0.000 0.725 869 K HN 0.500 nan 8.250 nan 0.000 0.439 870 S N 1.525 117.183 115.700 -0.070 0.000 2.513 870 S HA 0.400 4.882 4.470 0.020 0.000 0.299 870 S C -2.742 171.821 174.600 -0.061 0.000 1.087 870 S CA -1.416 56.736 58.200 -0.081 0.000 1.012 870 S CB 1.964 65.103 63.200 -0.101 0.000 1.044 870 S HN 0.127 nan 8.310 nan 0.000 0.485 871 P HA 0.104 nan 4.420 nan 0.000 0.268 871 P C 0.003 177.293 177.300 -0.017 0.000 1.205 871 P CA -0.199 62.881 63.100 -0.033 0.000 0.771 871 P CB 0.405 32.090 31.700 -0.025 0.000 0.858 872 S N 1.327 117.025 115.700 -0.003 0.000 2.596 872 S HA 0.025 4.507 4.470 0.020 0.000 0.260 872 S C 1.650 176.266 174.600 0.027 0.000 1.336 872 S CA 0.328 58.537 58.200 0.014 0.000 0.993 872 S CB -0.159 63.052 63.200 0.018 0.000 0.923 872 S HN 0.545 nan 8.310 nan 0.000 0.567 873 S N 1.273 117.003 115.700 0.051 0.000 2.368 873 S HA -0.110 4.372 4.470 0.020 0.000 0.225 873 S C 1.826 176.462 174.600 0.061 0.000 1.030 873 S CA 1.103 59.338 58.200 0.059 0.000 0.999 873 S CB -1.057 62.198 63.200 0.090 0.000 0.844 873 S HN 0.690 nan 8.310 nan 0.000 0.459 874 I N 2.345 122.941 120.570 0.043 0.000 2.208 874 I HA -0.199 3.983 4.170 0.020 0.000 0.245 874 I C 2.328 178.414 176.117 -0.051 0.000 1.097 874 I CA 1.685 62.936 61.300 -0.081 0.000 1.363 874 I CB -0.406 37.415 38.000 -0.298 0.000 1.051 874 I HN 0.248 nan 8.210 nan 0.000 0.413 875 D N 0.458 120.870 120.400 0.020 0.000 2.117 875 D HA -0.131 4.521 4.640 0.020 0.000 0.198 875 D C 2.365 178.695 176.300 0.049 0.000 0.982 875 D CA 1.142 55.186 54.000 0.074 0.000 0.828 875 D CB -0.117 40.719 40.800 0.062 0.000 0.967 875 D HN 0.250 nan 8.370 nan 0.000 0.464 876 R N 0.227 120.747 120.500 0.034 0.000 2.073 876 R HA -0.075 4.277 4.340 0.020 0.000 0.234 876 R C 2.452 178.771 176.300 0.031 0.000 1.134 876 R CA 0.725 56.849 56.100 0.040 0.000 0.952 876 R CB -0.430 29.896 30.300 0.044 0.000 0.850 876 R HN 0.044 nan 8.270 nan 0.000 0.433 877 V N 1.738 121.659 119.914 0.012 0.000 2.295 877 V HA -0.260 3.872 4.120 0.020 0.000 0.246 877 V C 1.816 177.914 176.094 0.007 0.000 1.049 877 V CA 1.786 64.084 62.300 -0.003 0.000 1.024 877 V CB -0.489 31.322 31.823 -0.019 0.000 0.648 877 V HN 0.369 nan 8.190 nan 0.000 0.447 878 N N 0.374 119.076 118.700 0.003 0.000 2.188 878 N HA -0.096 4.656 4.740 0.020 0.000 0.184 878 N C 1.897 177.435 175.510 0.046 0.000 1.018 878 N CA 1.548 54.609 53.050 0.019 0.000 0.858 878 N CB -0.431 38.066 38.487 0.016 0.000 0.989 878 N HN 0.481 nan 8.380 nan 0.000 0.426 879 A N 0.457 123.308 122.820 0.052 0.000 1.940 879 A HA -0.186 4.146 4.320 0.020 0.000 0.219 879 A C 2.708 180.322 177.584 0.049 0.000 1.176 879 A CA 1.571 53.636 52.037 0.046 0.000 0.631 879 A CB -1.092 17.934 19.000 0.044 0.000 0.814 879 A HN 0.510 nan 8.150 nan 0.000 0.446 880 C N -0.886 118.443 119.300 0.048 0.000 2.500 880 C HA 0.051 4.522 4.460 0.020 0.000 0.279 880 C C 2.746 177.769 174.990 0.055 0.000 1.288 880 C CA 1.230 60.278 59.018 0.051 0.000 1.710 880 C CB -1.146 26.617 27.740 0.037 0.000 2.052 880 C HN 0.693 nan 8.230 nan 0.000 0.488 881 R N 0.242 120.769 120.500 0.046 0.000 2.080 881 R HA -0.102 4.250 4.340 0.020 0.000 0.236 881 R C 2.207 178.541 176.300 0.057 0.000 1.137 881 R CA 2.163 58.294 56.100 0.052 0.000 0.943 881 R CB -0.458 29.865 30.300 0.038 0.000 0.846 881 R HN 0.597 nan 8.270 nan 0.000 0.431 882 L N 0.105 121.350 121.223 0.038 0.000 2.109 882 L HA -0.027 4.325 4.340 0.020 0.000 0.207 882 L C 2.727 179.622 176.870 0.042 0.000 1.086 882 L CA 1.074 55.925 54.840 0.018 0.000 0.760 882 L CB -0.477 41.579 42.059 -0.004 0.000 0.910 882 L HN 0.336 nan 8.230 nan 0.000 0.437 883 A N 0.403 123.256 122.820 0.055 0.000 1.902 883 A HA -0.201 4.131 4.320 0.020 0.000 0.217 883 A C 2.254 179.891 177.584 0.089 0.000 1.181 883 A CA 1.613 53.690 52.037 0.066 0.000 0.623 883 A CB -0.702 18.339 19.000 0.068 0.000 0.818 883 A HN 0.324 nan 8.150 nan 0.000 0.443 884 I N -0.445 120.188 120.570 0.105 0.000 2.163 884 I HA -0.275 3.906 4.170 0.020 0.000 0.243 884 I C 2.334 178.551 176.117 0.167 0.000 1.085 884 I CA 1.415 62.797 61.300 0.136 0.000 1.347 884 I CB -0.105 37.983 38.000 0.146 0.000 1.044 884 I HN 0.178 nan 8.210 nan 0.000 0.408 885 K N -0.086 120.417 120.400 0.172 0.000 2.148 885 K HA -0.096 4.236 4.320 0.020 0.000 0.204 885 K C 2.206 179.004 176.600 0.329 0.000 1.050 885 K CA 1.082 57.527 56.287 0.264 0.000 0.942 885 K CB -0.638 31.982 32.500 0.200 0.000 0.724 885 K HN 0.408 nan 8.250 nan 0.000 0.446 886 C N 0.592 120.015 119.300 0.205 0.000 2.442 886 C HA -0.158 4.314 4.460 0.020 0.000 0.279 886 C C 3.030 178.173 174.990 0.256 0.000 1.237 886 C CA 0.543 59.689 59.018 0.212 0.000 1.722 886 C CB -0.907 26.901 27.740 0.112 0.000 2.056 886 C HN 0.518 nan 8.230 nan 0.000 0.469 887 C N 0.874 120.278 119.300 0.174 0.000 2.413 887 C HA -0.117 4.355 4.460 0.020 0.000 0.276 887 C C 2.474 177.568 174.990 0.174 0.000 1.248 887 C CA 1.229 60.326 59.018 0.132 0.000 1.742 887 C CB -1.771 26.010 27.740 0.069 0.000 2.017 887 C HN 0.644 nan 8.230 nan 0.000 0.481 888 N N 0.334 119.164 118.700 0.217 0.000 2.205 888 N HA -0.109 4.643 4.740 0.020 0.000 0.186 888 N C 1.346 177.013 175.510 0.261 0.000 1.015 888 N CA 1.166 54.348 53.050 0.221 0.000 0.862 888 N CB -0.548 38.080 38.487 0.234 0.000 0.986 888 N HN 0.628 nan 8.380 nan 0.000 0.429 889 F N 1.669 121.745 119.950 0.211 0.000 2.053 889 F HA 0.005 4.544 4.527 0.020 0.000 0.292 889 F C 2.114 178.062 175.800 0.247 0.000 1.125 889 F CA 0.977 59.121 58.000 0.240 0.000 1.193 889 F CB -0.466 38.710 39.000 0.294 0.000 0.996 889 F HN -0.004 nan 8.300 nan 0.000 0.470 890 I N -0.753 119.968 120.570 0.252 0.000 2.226 890 I HA -0.209 3.972 4.170 0.020 0.000 0.245 890 I C 1.433 177.570 176.117 0.034 0.000 1.100 890 I CA 1.922 63.277 61.300 0.092 0.000 1.374 890 I CB -0.957 37.131 38.000 0.148 0.000 1.057 890 I HN 0.187 nan 8.210 nan 0.000 0.413 891 E N 1.222 121.444 120.200 0.037 0.000 2.494 891 E HA -0.002 4.360 4.350 0.020 0.000 0.193 891 E C 0.143 176.767 176.600 0.039 0.000 1.074 891 E CA -0.119 56.267 56.400 -0.022 0.000 0.867 891 E CB -0.177 29.492 29.700 -0.052 0.000 0.924 891 E HN 0.440 nan 8.360 nan 0.000 0.502 892 D N 0.331 120.760 120.400 0.048 0.000 2.425 892 D HA 0.017 4.669 4.640 0.020 0.000 0.247 892 D C 0.901 177.155 176.300 -0.078 0.000 1.147 892 D CA 0.057 54.039 54.000 -0.031 0.000 0.879 892 D CB 1.276 42.000 40.800 -0.127 0.000 1.179 892 D HN 0.108 nan 8.370 nan 0.000 0.456 893 A N 4.970 127.741 122.820 -0.082 0.000 2.019 893 A HA -0.203 4.128 4.320 0.020 0.000 0.219 893 A C 1.868 179.361 177.584 -0.151 0.000 1.164 893 A CA 0.905 52.901 52.037 -0.068 0.000 0.644 893 A CB -0.235 18.746 19.000 -0.031 0.000 0.805 893 A HN 0.668 nan 8.150 nan 0.000 0.449 894 N N -0.546 117.964 118.700 -0.318 0.000 2.149 894 N HA -0.131 4.620 4.740 0.020 0.000 0.188 894 N C 0.755 176.026 175.510 -0.398 0.000 1.019 894 N CA 1.395 54.184 53.050 -0.435 0.000 0.857 894 N CB -0.381 37.694 38.487 -0.687 0.000 0.997 894 N HN 0.532 nan 8.380 nan 0.000 0.426 895 F N 0.790 120.666 119.950 -0.122 0.000 2.765 895 F HA 0.245 4.783 4.527 0.020 0.000 0.302 895 F C 0.985 176.740 175.800 -0.076 0.000 1.111 895 F CA 0.101 58.027 58.000 -0.123 0.000 1.359 895 F CB -0.025 38.836 39.000 -0.231 0.000 1.097 895 F HN -0.210 nan 8.300 nan 0.000 0.577 896 Q N 0.206 120.034 119.800 0.046 0.000 2.257 896 Q HA 0.349 4.700 4.340 0.020 0.000 0.262 896 Q C -0.043 175.932 176.000 -0.041 0.000 0.997 896 Q CA -0.793 55.024 55.803 0.023 0.000 0.873 896 Q CB 2.785 31.539 28.738 0.027 0.000 1.312 896 Q HN -0.163 nan 8.270 nan 0.000 0.450 897 V N 2.380 122.250 119.914 -0.075 0.000 2.681 897 V HA -0.149 3.983 4.120 0.020 0.000 0.306 897 V C 0.368 176.243 176.094 -0.366 0.000 1.077 897 V CA 0.557 62.755 62.300 -0.171 0.000 1.224 897 V CB -0.172 31.549 31.823 -0.170 0.000 0.879 897 V HN 0.513 nan 8.190 nan 0.000 0.494 898 K N 4.380 124.621 120.400 -0.266 0.000 2.297 898 K HA 0.245 4.577 4.320 0.020 0.000 0.286 898 K C 0.925 177.331 176.600 -0.323 0.000 1.053 898 K CA -0.082 56.054 56.287 -0.251 0.000 0.940 898 K CB 0.318 32.754 32.500 -0.108 0.000 1.019 898 K HN 0.592 nan 8.250 nan 0.000 0.475 899 H N 0.834 119.885 119.070 -0.031 0.000 2.535 899 H HA 0.063 4.631 4.556 0.020 0.000 0.273 899 H C -0.226 175.071 175.328 -0.052 0.000 0.983 899 H CA 0.508 56.531 56.048 -0.041 0.000 1.238 899 H CB 0.539 30.284 29.762 -0.028 0.000 1.412 899 H HN 0.428 nan 8.280 nan 0.000 0.562 900 N N 1.436 120.153 118.700 0.028 0.000 3.229 900 N HA 0.375 5.127 4.740 0.020 0.000 0.275 900 N C -0.646 174.836 175.510 -0.048 0.000 1.225 900 N CA 0.073 53.121 53.050 -0.003 0.000 1.119 900 N CB 0.974 39.462 38.487 0.001 0.000 1.392 900 N HN 0.204 nan 8.380 nan 0.000 0.520 901 A N 1.071 123.841 122.820 -0.083 0.000 2.574 901 A HA 0.373 4.705 4.320 0.020 0.000 0.297 901 A C -0.502 176.975 177.584 -0.179 0.000 1.062 901 A CA -0.916 51.026 52.037 -0.158 0.000 0.686 901 A CB 0.985 19.842 19.000 -0.238 0.000 1.285 901 A HN 0.250 nan 8.150 nan 0.000 0.403 902 N N 1.877 120.455 118.700 -0.203 0.000 3.027 902 N HA 0.172 4.924 4.740 0.020 0.000 0.309 902 N C -0.908 174.460 175.510 -0.236 0.000 1.222 902 N CA 0.580 53.529 53.050 -0.168 0.000 1.187 902 N CB -0.330 38.084 38.487 -0.121 0.000 1.458 902 N HN 0.514 nan 8.380 nan 0.000 0.535 903 L N 0.527 121.621 121.223 -0.215 0.000 2.307 903 L HA 0.299 4.651 4.340 0.020 0.000 0.284 903 L C 0.909 177.703 176.870 -0.128 0.000 1.023 903 L CA -0.739 53.974 54.840 -0.212 0.000 0.810 903 L CB 1.457 43.382 42.059 -0.223 0.000 1.231 903 L HN 0.222 nan 8.230 nan 0.000 0.423 904 S N 1.907 117.545 115.700 -0.103 0.000 2.632 904 S HA 0.375 4.856 4.470 0.020 0.000 0.267 904 S C 1.157 175.680 174.600 -0.129 0.000 1.276 904 S CA -0.039 58.111 58.200 -0.085 0.000 0.998 904 S CB 1.690 64.859 63.200 -0.051 0.000 0.953 904 S HN 0.709 nan 8.310 nan 0.000 0.547 905 A N 1.290 124.029 122.820 -0.135 0.000 1.940 905 A HA -0.110 4.222 4.320 0.020 0.000 0.219 905 A C 1.818 179.173 177.584 -0.381 0.000 1.176 905 A CA 1.796 53.681 52.037 -0.252 0.000 0.631 905 A CB -1.020 17.899 19.000 -0.135 0.000 0.814 905 A HN 0.917 nan 8.150 nan 0.000 0.446 906 D N -0.538 119.784 120.400 -0.130 0.000 2.149 906 D HA -0.104 4.548 4.640 0.020 0.000 0.201 906 D C 1.884 178.112 176.300 -0.120 0.000 0.972 906 D CA 1.290 55.269 54.000 -0.036 0.000 0.835 906 D CB -0.309 40.485 40.800 -0.010 0.000 0.966 906 D HN 0.645 nan 8.370 nan 0.000 0.476 907 E N 0.678 120.799 120.200 -0.131 0.000 2.077 907 E HA -0.185 4.176 4.350 0.020 0.000 0.193 907 E C 2.202 178.717 176.600 -0.141 0.000 0.989 907 E CA 0.872 57.197 56.400 -0.125 0.000 0.800 907 E CB -0.012 29.670 29.700 -0.030 0.000 0.746 907 E HN 0.329 nan 8.360 nan 0.000 0.452 908 R N -0.157 120.233 120.500 -0.183 0.000 2.148 908 R HA -0.091 4.261 4.340 0.020 0.000 0.227 908 R C 1.692 177.914 176.300 -0.129 0.000 1.103 908 R CA 1.614 57.610 56.100 -0.173 0.000 0.983 908 R CB -0.552 29.645 30.300 -0.172 0.000 0.874 908 R HN 0.349 nan 8.270 nan 0.000 0.451 909 H N 0.370 119.402 119.070 -0.062 0.000 2.403 909 H HA 0.124 4.692 4.556 0.020 0.000 0.298 909 H C 1.882 177.157 175.328 -0.090 0.000 1.059 909 H CA 0.975 56.986 56.048 -0.061 0.000 1.363 909 H CB 0.196 29.913 29.762 -0.075 0.000 1.410 909 H HN 0.030 nan 8.280 nan 0.000 0.528 910 L N 0.060 121.232 121.223 -0.084 0.000 2.313 910 L HA -0.001 4.351 4.340 0.020 0.000 0.214 910 L C 0.633 177.373 176.870 -0.216 0.000 1.119 910 L CA 0.506 55.169 54.840 -0.295 0.000 0.809 910 L CB 0.104 41.692 42.059 -0.785 0.000 0.933 910 L HN 0.270 nan 8.230 nan 0.000 0.449 911 R N -0.803 119.639 120.500 -0.097 0.000 3.776 911 R HA -0.219 4.132 4.340 0.020 0.000 0.312 911 R C -0.843 175.570 176.300 0.190 0.000 1.181 911 R CA 0.929 57.065 56.100 0.060 0.000 0.836 911 R CB -2.601 27.770 30.300 0.118 0.000 1.324 911 R HN 0.450 nan 8.270 nan 0.000 0.501 912 F N -1.285 118.729 119.950 0.107 0.000 2.693 912 F HA 0.778 5.316 4.527 0.020 0.000 0.309 912 F C -0.918 174.991 175.800 0.181 0.000 1.129 912 F CA -2.026 56.014 58.000 0.066 0.000 0.948 912 F CB 1.102 40.065 39.000 -0.063 0.000 1.315 912 F HN -0.087 nan 8.300 nan 0.000 0.447 913 F N -0.356 119.727 119.950 0.222 0.000 2.613 913 F HA 0.715 5.254 4.527 0.020 0.000 0.310 913 F C -2.239 173.642 175.800 0.135 0.000 1.085 913 F CA -1.880 56.228 58.000 0.180 0.000 0.945 913 F CB 1.409 40.455 39.000 0.076 0.000 1.298 913 F HN 0.533 nan 8.300 nan 0.000 0.455 914 Y N 1.374 121.793 120.300 0.199 0.000 2.404 914 Y HA 0.324 4.886 4.550 0.020 0.000 0.344 914 Y C -0.466 175.507 175.900 0.121 0.000 0.970 914 Y CA -0.329 57.809 58.100 0.062 0.000 1.180 914 Y CB 0.886 39.392 38.460 0.078 0.000 1.138 914 Y HN 0.642 nan 8.280 nan 0.000 0.510 915 D N 3.381 123.831 120.400 0.083 0.000 2.303 915 D HA 0.113 4.765 4.640 0.020 0.000 0.236 915 D C -0.220 176.137 176.300 0.096 0.000 1.068 915 D CA -0.178 53.923 54.000 0.168 0.000 0.830 915 D CB 0.555 41.480 40.800 0.208 0.000 1.109 915 D HN 0.565 nan 8.370 nan 0.000 0.496 916 D N 3.418 123.884 120.400 0.111 0.000 2.692 916 D HA -0.248 4.404 4.640 0.020 0.000 0.233 916 D C 0.977 177.319 176.300 0.070 0.000 1.172 916 D CA 1.402 55.448 54.000 0.077 0.000 0.636 916 D CB -0.668 40.166 40.800 0.056 0.000 1.028 916 D HN 0.901 nan 8.370 nan 0.000 0.419 917 G N -1.750 107.115 108.800 0.109 0.000 2.454 917 G HA2 -0.299 3.672 3.960 0.020 0.000 0.225 917 G HA3 -0.299 3.672 3.960 0.020 0.000 0.225 917 G C 0.771 175.758 174.900 0.146 0.000 1.138 917 G CA 0.446 45.623 45.100 0.128 0.000 0.667 917 G HN 1.171 nan 8.290 nan 0.000 0.512 918 V N 1.842 121.773 119.914 0.028 0.000 2.521 918 V HA 0.612 4.744 4.120 0.020 0.000 0.286 918 V C 0.851 176.773 176.094 -0.287 0.000 1.034 918 V CA 0.990 63.234 62.300 -0.093 0.000 1.045 918 V CB 0.553 32.316 31.823 -0.099 0.000 0.974 918 V HN 0.569 nan 8.190 nan 0.000 0.480 919 K N 4.685 124.782 120.400 -0.505 0.000 2.338 919 K HA 0.418 4.750 4.320 0.020 0.000 0.290 919 K C -0.240 175.990 176.600 -0.618 0.000 1.069 919 K CA 0.011 55.734 56.287 -0.941 0.000 0.941 919 K CB 0.018 31.858 32.500 -1.099 0.000 1.023 919 K HN 0.822 nan 8.250 nan 0.000 0.477 920 T N 2.113 116.232 114.554 -0.725 0.000 2.855 920 T HA 0.102 4.463 4.350 0.020 0.000 0.281 920 T C -0.447 173.935 174.700 -0.530 0.000 1.007 920 T CA -0.633 61.052 62.100 -0.692 0.000 1.009 920 T CB 1.637 69.880 68.868 -1.042 0.000 0.983 920 T HN 0.508 nan 8.240 nan 0.000 0.455 921 S N 1.343 116.917 115.700 -0.211 0.000 2.481 921 S HA 0.354 4.835 4.470 0.020 0.000 0.276 921 S C 1.397 176.104 174.600 0.178 0.000 1.247 921 S CA -0.568 57.640 58.200 0.013 0.000 1.053 921 S CB 0.105 63.319 63.200 0.023 0.000 0.925 921 S HN 0.806 nan 8.310 nan 0.000 0.491 922 A N 4.646 127.648 122.820 0.303 0.000 2.248 922 A HA 0.134 4.466 4.320 0.020 0.000 0.210 922 A C 1.331 178.995 177.584 0.133 0.000 1.174 922 A CA 0.865 53.099 52.037 0.329 0.000 0.750 922 A CB -0.299 18.831 19.000 0.217 0.000 0.780 922 A HN 0.718 nan 8.150 nan 0.000 0.478 923 V N -0.714 119.266 119.914 0.110 0.000 2.868 923 V HA -0.058 4.074 4.120 0.020 0.000 0.227 923 V C 2.616 178.740 176.094 0.049 0.000 1.136 923 V CA 1.420 63.753 62.300 0.055 0.000 1.206 923 V CB -0.625 31.239 31.823 0.068 0.000 0.997 923 V HN 0.607 nan 8.190 nan 0.000 0.505 924 S N 0.742 116.476 115.700 0.057 0.000 2.453 924 S HA 0.106 4.588 4.470 0.020 0.000 0.231 924 S C 1.802 176.425 174.600 0.039 0.000 1.005 924 S CA 1.089 59.312 58.200 0.039 0.000 0.949 924 S CB 0.015 63.237 63.200 0.037 0.000 0.774 924 S HN 1.433 nan 8.310 nan 0.000 0.510 925 G N 1.247 110.086 108.800 0.066 0.000 2.189 925 G HA2 -0.297 3.675 3.960 0.020 0.000 0.267 925 G HA3 -0.297 3.675 3.960 0.020 0.000 0.267 925 G C 0.057 174.958 174.900 0.002 0.000 0.975 925 G CA 0.571 45.715 45.100 0.074 0.000 0.644 925 G HN 0.593 nan 8.290 nan 0.000 0.537 926 K N 0.447 120.838 120.400 -0.016 0.000 2.126 926 K HA 0.507 4.838 4.320 0.020 0.000 0.257 926 K C 1.435 177.980 176.600 -0.092 0.000 1.007 926 K CA 0.071 56.334 56.287 -0.040 0.000 0.928 926 K CB 0.894 33.383 32.500 -0.018 0.000 1.013 926 K HN 0.097 nan 8.250 nan 0.000 0.473 927 S N 0.468 116.109 115.700 -0.100 0.000 2.383 927 S HA -0.109 4.373 4.470 0.020 0.000 0.227 927 S C 0.793 175.308 174.600 -0.142 0.000 1.026 927 S CA 0.843 58.959 58.200 -0.140 0.000 0.981 927 S CB -0.089 63.046 63.200 -0.109 0.000 0.818 927 S HN 0.738 nan 8.310 nan 0.000 0.472 928 S N 2.013 117.657 115.700 -0.093 0.000 2.423 928 S HA 0.299 4.780 4.470 0.020 0.000 0.302 928 S C 1.004 175.561 174.600 -0.071 0.000 1.143 928 S CA -0.657 57.495 58.200 -0.081 0.000 1.080 928 S CB 0.863 64.036 63.200 -0.046 0.000 1.081 928 S HN 0.053 nan 8.310 nan 0.000 0.522 929 V N 3.824 123.675 119.914 -0.105 0.000 2.407 929 V HA -0.079 4.053 4.120 0.020 0.000 0.248 929 V C 1.013 177.105 176.094 -0.002 0.000 1.055 929 V CA 1.357 63.615 62.300 -0.070 0.000 1.049 929 V CB -0.578 31.142 31.823 -0.172 0.000 0.662 929 V HN 0.826 nan 8.190 nan 0.000 0.455 930 I N 1.077 121.639 120.570 -0.014 0.000 2.304 930 I HA 0.258 4.440 4.170 0.020 0.000 0.291 930 I C -0.425 175.705 176.117 0.022 0.000 1.018 930 I CA -0.192 61.116 61.300 0.014 0.000 1.260 930 I CB 1.095 39.096 38.000 0.001 0.000 1.390 930 I HN 0.052 nan 8.210 nan 0.000 0.475 931 D N 5.843 126.268 120.400 0.043 0.000 2.329 931 D HA 0.112 4.764 4.640 0.020 0.000 0.232 931 D C 0.504 176.831 176.300 0.045 0.000 1.088 931 D CA -0.243 53.788 54.000 0.053 0.000 0.835 931 D CB 1.358 42.208 40.800 0.083 0.000 1.078 931 D HN 0.415 nan 8.370 nan 0.000 0.495 932 D N 2.507 122.934 120.400 0.045 0.000 2.264 932 D HA -0.101 4.551 4.640 0.020 0.000 0.208 932 D C 1.004 177.341 176.300 0.061 0.000 0.966 932 D CA 0.499 54.526 54.000 0.044 0.000 0.864 932 D CB 0.346 41.173 40.800 0.045 0.000 0.933 932 D HN 0.436 nan 8.370 nan 0.000 0.499 933 N N 0.106 118.853 118.700 0.079 0.000 2.512 933 N HA -0.086 4.666 4.740 0.020 0.000 0.183 933 N C 1.756 177.328 175.510 0.103 0.000 1.073 933 N CA 0.776 53.893 53.050 0.111 0.000 0.911 933 N CB -0.231 38.349 38.487 0.155 0.000 0.964 933 N HN 0.329 nan 8.380 nan 0.000 0.447 934 T N -3.143 111.415 114.554 0.006 0.000 3.023 934 T HA 0.088 4.450 4.350 0.020 0.000 0.266 934 T C 0.941 175.708 174.700 0.113 0.000 1.093 934 T CA 0.226 62.274 62.100 -0.088 0.000 1.129 934 T CB -0.026 68.722 68.868 -0.201 0.000 0.899 934 T HN -0.149 nan 8.240 nan 0.000 0.491 935 S N 1.247 116.995 115.700 0.081 0.000 2.543 935 S HA 0.616 5.098 4.470 0.020 0.000 0.299 935 S C -0.629 173.993 174.600 0.036 0.000 1.125 935 S CA -0.615 57.620 58.200 0.060 0.000 1.098 935 S CB 0.912 64.118 63.200 0.010 0.000 1.063 935 S HN 0.298 nan 8.310 nan 0.000 0.493 936 V N 3.891 123.794 119.914 -0.018 0.000 2.864 936 V HA 0.528 4.660 4.120 0.020 0.000 0.314 936 V C -0.460 175.575 176.094 -0.097 0.000 1.073 936 V CA -0.637 61.598 62.300 -0.109 0.000 0.956 936 V CB 2.369 33.967 31.823 -0.375 0.000 1.023 936 V HN 0.475 nan 8.190 nan 0.000 0.435 937 V N 5.990 125.872 119.914 -0.055 0.000 2.350 937 V HA 0.435 4.566 4.120 0.020 0.000 0.276 937 V C -0.069 175.926 176.094 -0.164 0.000 1.028 937 V CA -0.266 62.007 62.300 -0.045 0.000 0.860 937 V CB 1.266 33.117 31.823 0.047 0.000 0.990 937 V HN 0.604 nan 8.190 nan 0.000 0.453 938 I N 5.232 125.671 120.570 -0.218 0.000 2.291 938 I HA 0.602 4.784 4.170 0.020 0.000 0.290 938 I C 0.888 176.849 176.117 -0.260 0.000 1.050 938 I CA 0.544 61.619 61.300 -0.374 0.000 1.245 938 I CB 0.888 38.636 38.000 -0.421 0.000 1.405 938 I HN 0.742 nan 8.210 nan 0.000 0.478 939 G N 6.135 114.780 108.800 -0.259 0.000 3.022 939 G HA2 0.799 4.771 3.960 0.020 0.000 0.284 939 G HA3 0.799 4.771 3.960 0.020 0.000 0.284 939 G C -1.102 173.723 174.900 -0.126 0.000 1.375 939 G CA -0.648 44.359 45.100 -0.155 0.000 0.902 939 G HN 0.327 nan 8.290 nan 0.000 0.538 940 I N -0.205 120.331 120.570 -0.056 0.000 2.404 940 I HA 0.426 4.607 4.170 0.020 0.000 0.293 940 I C -0.599 175.512 176.117 -0.009 0.000 0.992 940 I CA -0.467 60.819 61.300 -0.023 0.000 1.149 940 I CB 2.245 40.250 38.000 0.010 0.000 1.315 940 I HN 0.166 nan 8.210 nan 0.000 0.446 941 Q N 3.996 123.797 119.800 0.001 0.000 2.347 941 Q HA 0.598 4.950 4.340 0.020 0.000 0.265 941 Q C 0.422 176.441 176.000 0.032 0.000 1.024 941 Q CA 0.427 56.241 55.803 0.018 0.000 0.731 941 Q CB 1.795 30.544 28.738 0.019 0.000 1.245 941 Q HN 0.870 nan 8.270 nan 0.000 0.472 942 G N 1.570 110.394 108.800 0.039 0.000 3.377 942 G HA2 -0.387 3.585 3.960 0.020 0.000 0.304 942 G HA3 -0.387 3.585 3.960 0.020 0.000 0.304 942 G C 0.834 175.758 174.900 0.040 0.000 1.366 942 G CA 0.783 45.913 45.100 0.048 0.000 1.020 942 G HN 0.664 nan 8.290 nan 0.000 0.621 943 S N 0.189 115.915 115.700 0.044 0.000 2.741 943 S HA 0.279 4.761 4.470 0.020 0.000 0.245 943 S C 0.796 175.421 174.600 0.043 0.000 1.083 943 S CA 1.136 59.361 58.200 0.043 0.000 0.873 943 S CB -0.031 63.206 63.200 0.062 0.000 0.814 943 S HN 0.731 nan 8.310 nan 0.000 0.476 944 E N 1.598 121.829 120.200 0.051 0.000 2.415 944 E HA 0.191 4.553 4.350 0.020 0.000 0.262 944 E C -1.050 175.569 176.600 0.031 0.000 1.038 944 E CA -0.109 56.326 56.400 0.059 0.000 0.921 944 E CB 0.843 30.587 29.700 0.073 0.000 0.950 944 E HN 0.155 nan 8.360 nan 0.000 0.438 945 V N 3.934 123.866 119.914 0.029 0.000 2.498 945 V HA 0.191 4.322 4.120 0.020 0.000 0.279 945 V C 0.316 176.354 176.094 -0.094 0.000 1.048 945 V CA -0.190 62.069 62.300 -0.069 0.000 0.967 945 V CB 1.202 32.978 31.823 -0.078 0.000 0.988 945 V HN 0.826 nan 8.190 nan 0.000 0.473 946 T N 2.030 116.454 114.554 -0.217 0.000 2.856 946 T HA 0.730 5.092 4.350 0.020 0.000 0.283 946 T C -0.926 173.555 174.700 -0.366 0.000 1.008 946 T CA -0.515 61.512 62.100 -0.122 0.000 0.997 946 T CB 1.272 70.127 68.868 -0.022 0.000 0.992 946 T HN 0.188 nan 8.240 nan 0.000 0.454 947 F N 1.403 121.326 119.950 -0.045 0.000 2.347 947 F HA 0.496 5.035 4.527 0.020 0.000 0.366 947 F C 0.533 176.284 175.800 -0.081 0.000 1.107 947 F CA -0.773 57.145 58.000 -0.138 0.000 1.058 947 F CB 1.781 40.667 39.000 -0.190 0.000 1.236 947 F HN 0.565 nan 8.300 nan 0.000 0.456 948 T N 4.225 118.793 114.554 0.024 0.000 2.812 948 T HA 0.370 4.732 4.350 0.020 0.000 0.282 948 T C -2.797 171.939 174.700 0.060 0.000 0.990 948 T CA -1.910 60.223 62.100 0.055 0.000 0.960 948 T CB 1.758 70.650 68.868 0.039 0.000 0.948 948 T HN 0.089 nan 8.240 nan 0.000 0.438 949 P HA 0.101 nan 4.420 nan 0.000 0.271 949 P C 1.455 178.832 177.300 0.127 0.000 1.220 949 P CA -0.522 62.632 63.100 0.089 0.000 0.768 949 P CB 0.513 32.269 31.700 0.093 0.000 0.848 950 V N 2.919 122.913 119.914 0.132 0.000 2.278 950 V HA -0.343 3.788 4.120 0.020 0.000 0.251 950 V C 2.013 178.255 176.094 0.246 0.000 1.062 950 V CA 1.644 64.055 62.300 0.185 0.000 1.038 950 V CB -1.490 30.383 31.823 0.084 0.000 0.646 950 V HN 0.474 nan 8.190 nan 0.000 0.447 951 K N 0.048 120.577 120.400 0.215 0.000 2.059 951 K HA -0.266 4.066 4.320 0.020 0.000 0.212 951 K C 2.431 179.167 176.600 0.226 0.000 1.050 951 K CA 2.345 58.781 56.287 0.248 0.000 0.927 951 K CB -0.332 32.258 32.500 0.150 0.000 0.714 951 K HN 0.667 nan 8.250 nan 0.000 0.447 952 Q N 0.621 120.525 119.800 0.173 0.000 2.046 952 Q HA -0.091 4.260 4.340 0.020 0.000 0.200 952 Q C 2.309 178.402 176.000 0.154 0.000 0.975 952 Q CA 1.188 57.076 55.803 0.140 0.000 0.836 952 Q CB -0.668 28.136 28.738 0.110 0.000 0.896 952 Q HN 0.348 nan 8.270 nan 0.000 0.428 953 L N -1.085 120.257 121.223 0.199 0.000 2.131 953 L HA -0.127 4.224 4.340 0.020 0.000 0.210 953 L C 2.181 179.221 176.870 0.283 0.000 1.092 953 L CA 0.915 55.894 54.840 0.232 0.000 0.759 953 L CB -0.325 41.940 42.059 0.344 0.000 0.903 953 L HN 0.242 nan 8.230 nan 0.000 0.435 954 W N 1.221 122.559 121.300 0.064 0.000 2.467 954 W HA -0.184 4.488 4.660 0.020 0.000 0.275 954 W C 2.462 178.922 176.519 -0.098 0.000 1.239 954 W CA 1.573 58.836 57.345 -0.138 0.000 1.266 954 W CB 0.164 29.193 29.460 -0.719 0.000 1.112 954 W HN 0.300 nan 8.180 nan 0.000 0.576 955 E N -1.208 119.064 120.200 0.120 0.000 2.112 955 E HA -0.159 4.203 4.350 0.020 0.000 0.190 955 E C 1.743 178.331 176.600 -0.020 0.000 0.979 955 E CA 1.391 57.822 56.400 0.050 0.000 0.814 955 E CB -1.183 28.570 29.700 0.088 0.000 0.762 955 E HN 0.210 nan 8.360 nan 0.000 0.460 956 N N 0.859 119.559 118.700 -0.000 0.000 2.084 956 N HA -0.133 4.619 4.740 0.020 0.000 0.190 956 N C 0.740 176.211 175.510 -0.066 0.000 1.030 956 N CA 1.282 54.320 53.050 -0.020 0.000 0.849 956 N CB -0.117 38.373 38.487 0.004 0.000 1.012 956 N HN 0.475 nan 8.380 nan 0.000 0.423 957 E N 0.861 121.002 120.200 -0.099 0.000 2.422 957 E HA 0.110 4.471 4.350 0.020 0.000 0.260 957 E C 0.241 176.742 176.600 -0.167 0.000 1.108 957 E CA 0.066 56.394 56.400 -0.119 0.000 0.943 957 E CB -0.045 29.608 29.700 -0.078 0.000 0.961 957 E HN 0.391 nan 8.360 nan 0.000 0.443 958 T N -3.913 110.569 114.554 -0.120 0.000 2.943 958 T HA 0.535 4.897 4.350 0.020 0.000 0.284 958 T C 1.127 175.712 174.700 -0.193 0.000 1.015 958 T CA 0.412 62.437 62.100 -0.125 0.000 1.042 958 T CB 1.122 69.966 68.868 -0.039 0.000 1.055 958 T HN 1.040 nan 8.240 nan 0.000 0.500 959 H N -0.823 118.102 119.070 -0.242 0.000 2.561 959 H HA 0.045 4.613 4.556 0.020 0.000 0.278 959 H C 1.440 176.471 175.328 -0.495 0.000 1.014 959 H CA 1.114 56.961 56.048 -0.335 0.000 1.211 959 H CB -0.743 28.823 29.762 -0.327 0.000 1.365 959 H HN 0.842 nan 8.280 nan 0.000 0.594 960 H N 1.009 119.883 119.070 -0.327 0.000 2.660 960 H HA 0.132 4.700 4.556 0.020 0.000 0.310 960 H C 0.272 175.339 175.328 -0.436 0.000 1.080 960 H CA 0.068 55.846 56.048 -0.451 0.000 1.145 960 H CB -0.129 29.438 29.762 -0.326 0.000 1.432 960 H HN 0.521 nan 8.280 nan 0.000 0.542 961 K N -1.716 118.380 120.400 -0.507 0.000 3.077 961 K HA -0.281 4.051 4.320 0.020 0.000 0.264 961 K C 0.754 176.960 176.600 -0.657 0.000 1.008 961 K CA 0.848 56.529 56.287 -1.009 0.000 0.740 961 K CB -2.650 29.339 32.500 -0.852 0.000 1.273 961 K HN 0.609 nan 8.250 nan 0.000 0.477 968 V N 2.637 122.388 119.914 -0.273 0.000 2.439 968 V HA 0.624 4.756 4.120 0.020 0.000 0.282 968 V C -0.915 174.890 176.094 -0.481 0.000 1.039 968 V CA -0.611 61.580 62.300 -0.182 0.000 0.913 968 V CB 1.046 32.903 31.823 0.057 0.000 0.983 968 V HN 0.645 nan 8.190 nan 0.000 0.460 969 H N 3.942 122.939 119.070 -0.122 0.000 2.609 969 H HA 0.309 4.877 4.556 0.020 0.000 0.344 969 H C -0.687 174.622 175.328 -0.031 0.000 1.040 969 H CA -1.009 54.861 56.048 -0.297 0.000 1.216 969 H CB 1.700 31.307 29.762 -0.258 0.000 1.529 969 H HN 0.975 nan 8.280 nan 0.000 0.519 970 W N 1.706 123.153 121.300 0.245 0.000 2.357 970 W HA 0.434 5.105 4.660 0.019 0.000 0.386 970 W C 0.879 177.448 176.519 0.083 0.000 0.889 970 W CA 0.045 57.487 57.345 0.162 0.000 2.425 970 W CB -0.799 28.791 29.460 0.215 0.000 1.244 970 W HN 0.625 nan 8.180 nan 0.000 0.646 971 E N 1.010 121.154 120.200 -0.093 0.000 2.070 971 E HA -0.335 4.027 4.350 0.020 0.000 0.197 971 E C 1.764 178.346 176.600 -0.030 0.000 1.004 971 E CA 2.269 58.581 56.400 -0.147 0.000 0.805 971 E CB -0.590 28.935 29.700 -0.292 0.000 0.744 971 E HN 0.453 nan 8.360 nan 0.000 0.451 972 Q N -0.466 119.339 119.800 0.009 0.000 2.364 972 Q HA 0.047 4.398 4.340 0.020 0.000 0.209 972 Q C 2.083 178.097 176.000 0.025 0.000 0.977 972 Q CA 0.814 56.625 55.803 0.014 0.000 0.885 972 Q CB -0.378 28.376 28.738 0.026 0.000 0.941 972 Q HN 0.696 nan 8.270 nan 0.000 0.464 973 L N -0.389 120.876 121.223 0.070 0.000 2.027 973 L HA -0.182 4.170 4.340 0.020 0.000 0.206 973 L C 1.939 178.806 176.870 -0.005 0.000 1.074 973 L CA 1.069 55.926 54.840 0.027 0.000 0.745 973 L CB -0.481 41.594 42.059 0.027 0.000 0.898 973 L HN 0.295 nan 8.230 nan 0.000 0.433 974 N N 0.250 118.966 118.700 0.027 0.000 2.188 974 N HA -0.125 4.627 4.740 0.020 0.000 0.184 974 N C 1.909 177.381 175.510 -0.063 0.000 1.018 974 N CA 1.325 54.365 53.050 -0.017 0.000 0.858 974 N CB -0.072 38.418 38.487 0.004 0.000 0.989 974 N HN 0.280 nan 8.380 nan 0.000 0.426 975 I N 0.599 121.132 120.570 -0.063 0.000 2.163 975 I HA -0.211 3.971 4.170 0.020 0.000 0.240 975 I C 2.269 178.314 176.117 -0.120 0.000 1.081 975 I CA 0.733 61.981 61.300 -0.088 0.000 1.353 975 I CB -0.270 37.690 38.000 -0.068 0.000 1.054 975 I HN -0.131 nan 8.210 nan 0.000 0.407 976 V N 0.710 120.563 119.914 -0.101 0.000 2.295 976 V HA -0.285 3.847 4.120 0.020 0.000 0.246 976 V C 2.660 178.667 176.094 -0.145 0.000 1.049 976 V CA 2.174 64.398 62.300 -0.126 0.000 1.024 976 V CB -0.984 30.774 31.823 -0.108 0.000 0.648 976 V HN 0.638 nan 8.190 nan 0.000 0.447 977 S N 0.252 115.880 115.700 -0.120 0.000 2.370 977 S HA -0.281 4.201 4.470 0.020 0.000 0.226 977 S C 1.674 176.196 174.600 -0.131 0.000 1.033 977 S CA 1.847 59.975 58.200 -0.120 0.000 1.011 977 S CB -0.636 62.503 63.200 -0.101 0.000 0.852 977 S HN 0.571 nan 8.310 nan 0.000 0.457 978 D N 1.305 121.621 120.400 -0.139 0.000 2.178 978 D HA 0.061 4.713 4.640 0.020 0.000 0.202 978 D C 1.855 178.042 176.300 -0.188 0.000 0.974 978 D CA 0.628 54.541 54.000 -0.145 0.000 0.841 978 D CB -0.396 40.320 40.800 -0.141 0.000 0.953 978 D HN 0.402 nan 8.370 nan 0.000 0.478 979 L N 0.126 121.182 121.223 -0.278 0.000 2.027 979 L HA -0.095 4.256 4.340 0.020 0.000 0.206 979 L C 2.164 178.888 176.870 -0.244 0.000 1.074 979 L CA 0.969 55.521 54.840 -0.481 0.000 0.745 979 L CB -0.041 41.679 42.059 -0.563 0.000 0.898 979 L HN -0.002 nan 8.230 nan 0.000 0.433 980 L N -0.702 120.418 121.223 -0.173 0.000 2.156 980 L HA -0.039 4.313 4.340 0.020 0.000 0.208 980 L C 1.618 178.423 176.870 -0.108 0.000 1.095 980 L CA 0.417 55.161 54.840 -0.161 0.000 0.770 980 L CB -0.765 41.167 42.059 -0.210 0.000 0.914 980 L HN 0.372 nan 8.230 nan 0.000 0.439 981 S N -0.298 115.399 115.700 -0.005 0.000 2.661 981 S HA 0.266 4.747 4.470 0.020 0.000 0.265 981 S C 1.292 176.115 174.600 0.371 0.000 1.225 981 S CA -0.144 58.130 58.200 0.122 0.000 0.986 981 S CB 1.275 64.472 63.200 -0.006 0.000 1.008 981 S HN 0.165 nan 8.310 nan 0.000 0.565 982 G N -0.119 108.895 108.800 0.358 0.000 2.471 982 G HA2 -0.138 3.833 3.960 0.020 0.000 0.219 982 G HA3 -0.138 3.833 3.960 0.020 0.000 0.219 982 G C 1.336 176.227 174.900 -0.015 0.000 1.125 982 G CA 0.556 45.697 45.100 0.067 0.000 0.775 982 G HN 0.815 nan 8.290 nan 0.000 0.548 983 R N -0.174 120.314 120.500 -0.021 0.000 2.206 983 R HA -0.170 4.182 4.340 0.020 0.000 0.240 983 R C 2.385 178.655 176.300 -0.049 0.000 1.117 983 R CA 1.974 58.039 56.100 -0.059 0.000 0.915 983 R CB -0.618 29.624 30.300 -0.096 0.000 0.888 983 R HN 0.364 nan 8.270 nan 0.000 0.432 984 L N 0.164 121.343 121.223 -0.072 0.000 2.127 984 L HA -0.186 4.166 4.340 0.020 0.000 0.211 984 L C 2.294 179.248 176.870 0.140 0.000 1.089 984 L CA 1.694 56.513 54.840 -0.036 0.000 0.757 984 L CB -0.130 41.769 42.059 -0.267 0.000 0.899 984 L HN 0.396 nan 8.230 nan 0.000 0.434 985 S N -0.318 115.456 115.700 0.124 0.000 2.387 985 S HA -0.094 4.388 4.470 0.020 0.000 0.226 985 S C 1.758 176.350 174.600 -0.013 0.000 1.026 985 S CA 0.818 59.084 58.200 0.110 0.000 0.972 985 S CB -0.141 63.055 63.200 -0.007 0.000 0.814 985 S HN 0.222 nan 8.310 nan 0.000 0.477 986 I N 1.589 122.133 120.570 -0.044 0.000 2.439 986 I HA 0.009 4.190 4.170 0.020 0.000 0.251 986 I C 2.419 178.520 176.117 -0.026 0.000 1.139 986 I CA 1.019 62.289 61.300 -0.050 0.000 1.438 986 I CB -0.229 37.739 38.000 -0.054 0.000 1.085 986 I HN 0.088 nan 8.210 nan 0.000 0.427 987 R N -0.348 120.145 120.500 -0.013 0.000 2.237 987 R HA -0.065 4.287 4.340 0.020 0.000 0.219 987 R C 1.614 177.915 176.300 0.001 0.000 1.080 987 R CA 1.670 57.766 56.100 -0.007 0.000 0.995 987 R CB -0.227 30.068 30.300 -0.009 0.000 0.875 987 R HN 0.513 nan 8.270 nan 0.000 0.462 988 T N -4.544 110.015 114.554 0.008 0.000 3.004 988 T HA 0.169 4.531 4.350 0.020 0.000 0.266 988 T C 0.317 174.993 174.700 -0.040 0.000 0.986 988 T CA -0.012 62.083 62.100 -0.008 0.000 0.902 988 T CB 0.509 69.381 68.868 0.006 0.000 1.118 988 T HN 0.032 nan 8.240 nan 0.000 0.522 989 T N 0.000 114.528 114.554 -0.044 0.000 3.816 989 T HA 0.000 4.362 4.350 0.020 0.000 0.228 989 T CA 0.000 62.064 62.100 -0.060 0.000 1.349 989 T CB 0.000 68.839 68.868 -0.048 0.000 0.612 989 T HN 0.000 nan 8.240 nan 0.000 0.658