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 3din_1_B DATA FIRST_RESID 1 DATA SEQUENCE MILFDKNKRI LKKYAKMVSK INQIESDLRS KKNSELIRLS MVLKEKVNSF DATA SEQUENCE EDADEHLFEA FALVREAARR TLGMRPFDVQ VMGGIALHEG KVAEMKTGEG DATA SEQUENCE KTLAATMPIY LNALIGKGVH LVTVNDYLAR RDALWMGPVY LFLGLRVGVI DATA SEQUENCE NSLGKSYEVV WKNPDLARKA IEENWSVWPD GFNGEVLKEE SMNKEAVEAF DATA SEQUENCE QVELKEITRK EAYLCDVTYG TNNEFGFDYL RDNLVLDYND KVQRGHFYAI DATA SEQUENCE VDEADSVLID EARTPLIISG PSKESPSVYR RFAQIAKKFV KDKDFTVDEK DATA SEQUENCE ARTIILTEEG VAKAEKIIGV ENLYDPGNVS LLYHLINALK ALHLFKKDVD DATA SEQUENCE YVVMNGEVII VDEFTGRLLP GRRYSGGLHQ AIEAKEGVPI KEESITYATI DATA SEQUENCE TFQNYFRMYE KLAGMTGTAK TEESEFVQVY GMEVVVIPTH KPMIRKDHDD DATA SEQUENCE LVFRTQKEKY EKIVEEIEKR YKKGQPVLVG TTSIEKSELL SSMLKKKGIP DATA SEQUENCE HQVLNAKYHE KEAEIVAKAG QKGMVTIATN MAGRGTDIKL GPGVAELGGL DATA SEQUENCE CIIGTERHES RRIDNQLRGR AGRQGDPGES IFFLSLEDDL LRIFGSEQIG DATA SEQUENCE KVMNILKIEE GQPIQHPMLS KLIENIQKKV EGINFSIRKT LMEMDDVLDK DATA SEQUENCE QRRAVYSLRD QILLEKDYDE YLKDIFEDVV STRVEEFCSG KNWDIESLKN DATA SEQUENCE SLSFFPAGLF DLDEKQFSSS EELHDYLFNR LWEEYQRKKQ EIGEDYRKVI DATA SEQUENCE RFLMLRIIDD HWRRYLEEVE HVKEAVQLRS YGQKDPIVEF KKETYYMFDE DATA SEQUENCE MMRRINDTIA NYVLRV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.309 55.300 0.016 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 I N 1.108 121.684 120.570 0.010 0.000 2.476 2 I HA 0.855 5.003 4.170 -0.036 0.000 0.281 2 I C -0.466 175.648 176.117 -0.006 0.000 1.040 2 I CA -0.186 61.111 61.300 -0.004 0.000 1.094 2 I CB 1.433 39.428 38.000 -0.008 0.000 1.219 2 I HN 0.519 nan 8.210 nan 0.000 0.450 3 L N 2.303 123.515 121.223 -0.019 0.000 2.733 3 L HA 0.299 4.617 4.340 -0.036 0.000 0.296 3 L C -0.217 176.614 176.870 -0.065 0.000 0.801 3 L CA -0.635 54.196 54.840 -0.014 0.000 1.111 3 L CB 0.554 42.690 42.059 0.129 0.000 1.668 3 L HN 0.203 nan 8.230 nan 0.000 0.339 4 F N 0.441 120.388 119.950 -0.004 0.000 2.661 4 F HA -0.058 4.448 4.527 -0.035 0.000 0.298 4 F C 1.800 177.596 175.800 -0.008 0.000 1.137 4 F CA 0.780 58.777 58.000 -0.005 0.000 1.454 4 F CB -0.336 38.661 39.000 -0.005 0.000 1.103 4 F HN 0.445 nan 8.300 nan 0.000 0.577 5 D N 0.493 121.000 120.400 0.177 0.000 2.182 5 D HA -0.203 4.415 4.640 -0.036 0.000 0.201 5 D C 2.237 178.567 176.300 0.049 0.000 0.986 5 D CA 1.295 55.352 54.000 0.094 0.000 0.847 5 D CB 0.063 40.906 40.800 0.071 0.000 0.942 5 D HN 0.209 nan 8.370 nan 0.000 0.467 6 K N -0.607 119.809 120.400 0.027 0.000 2.099 6 K HA -0.018 4.281 4.320 -0.036 0.000 0.203 6 K C 1.881 178.474 176.600 -0.013 0.000 1.047 6 K CA 0.569 56.853 56.287 -0.004 0.000 0.963 6 K CB 0.050 32.538 32.500 -0.021 0.000 0.759 6 K HN -0.053 nan 8.250 nan 0.000 0.451 7 N N 0.798 119.492 118.700 -0.010 0.000 2.069 7 N HA -0.132 4.586 4.740 -0.036 0.000 0.191 7 N C 1.590 177.111 175.510 0.017 0.000 1.031 7 N CA 1.287 54.336 53.050 -0.002 0.000 0.852 7 N CB 0.142 38.629 38.487 0.000 0.000 1.018 7 N HN 0.046 nan 8.380 nan 0.000 0.423 8 K N 0.344 120.778 120.400 0.057 0.000 2.057 8 K HA -0.006 4.293 4.320 -0.036 0.000 0.206 8 K C 1.981 178.581 176.600 -0.000 0.000 1.050 8 K CA 0.730 57.044 56.287 0.045 0.000 0.935 8 K CB -0.180 32.363 32.500 0.072 0.000 0.715 8 K HN 0.019 nan 8.250 nan 0.000 0.439 9 R N 1.034 121.530 120.500 -0.006 0.000 2.159 9 R HA -0.043 4.275 4.340 -0.036 0.000 0.237 9 R C 2.072 178.314 176.300 -0.096 0.000 1.131 9 R CA 0.775 56.856 56.100 -0.032 0.000 0.982 9 R CB -0.371 29.916 30.300 -0.021 0.000 0.868 9 R HN 0.152 nan 8.270 nan 0.000 0.453 10 I N 0.081 120.573 120.570 -0.131 0.000 2.286 10 I HA -0.199 3.949 4.170 -0.036 0.000 0.245 10 I C 2.025 177.946 176.117 -0.327 0.000 1.104 10 I CA 0.723 61.842 61.300 -0.301 0.000 1.397 10 I CB -1.164 36.698 38.000 -0.231 0.000 1.072 10 I HN 0.181 nan 8.210 nan 0.000 0.417 11 L N 1.589 122.740 121.223 -0.120 0.000 1.941 11 L HA -0.274 4.044 4.340 -0.036 0.000 0.224 11 L C 2.612 179.469 176.870 -0.022 0.000 1.081 11 L CA 2.302 57.124 54.840 -0.030 0.000 0.784 11 L CB -1.000 41.069 42.059 0.017 0.000 0.894 11 L HN 0.139 nan 8.230 nan 0.000 0.436 12 K N -0.582 119.808 120.400 -0.016 0.000 2.074 12 K HA -0.276 4.022 4.320 -0.036 0.000 0.209 12 K C 2.278 178.885 176.600 0.011 0.000 1.048 12 K CA 2.029 58.323 56.287 0.011 0.000 0.926 12 K CB -0.188 32.318 32.500 0.010 0.000 0.713 12 K HN 0.378 nan 8.250 nan 0.000 0.444 13 K N -0.426 119.929 120.400 -0.074 0.000 2.034 13 K HA -0.216 4.083 4.320 -0.036 0.000 0.214 13 K C 2.123 178.793 176.600 0.116 0.000 1.051 13 K CA 2.264 58.510 56.287 -0.068 0.000 0.931 13 K CB -0.243 32.081 32.500 -0.294 0.000 0.715 13 K HN 0.398 nan 8.250 nan 0.000 0.446 14 Y N -0.656 119.688 120.300 0.074 0.000 2.314 14 Y HA -0.025 4.503 4.550 -0.037 0.000 0.294 14 Y C 2.332 178.275 175.900 0.071 0.000 1.119 14 Y CA -0.094 58.049 58.100 0.072 0.000 1.179 14 Y CB 0.017 38.517 38.460 0.067 0.000 1.025 14 Y HN 0.118 nan 8.280 nan 0.000 0.541 15 A N 0.630 123.576 122.820 0.211 0.000 2.076 15 A HA -0.228 4.070 4.320 -0.036 0.000 0.220 15 A C 2.109 179.777 177.584 0.139 0.000 1.160 15 A CA 1.814 53.939 52.037 0.147 0.000 0.653 15 A CB -0.482 18.579 19.000 0.102 0.000 0.801 15 A HN 0.420 nan 8.150 nan 0.000 0.455 16 K N -0.744 119.750 120.400 0.157 0.000 2.063 16 K HA 0.047 4.345 4.320 -0.036 0.000 0.204 16 K C 2.019 178.750 176.600 0.218 0.000 1.039 16 K CA 1.019 57.402 56.287 0.159 0.000 0.957 16 K CB -0.253 32.332 32.500 0.142 0.000 0.764 16 K HN 0.436 nan 8.250 nan 0.000 0.447 17 M N 0.904 120.667 119.600 0.271 0.000 2.195 17 M HA -0.170 4.288 4.480 -0.036 0.000 0.260 17 M C 2.232 178.593 176.300 0.102 0.000 1.066 17 M CA 1.216 56.708 55.300 0.320 0.000 1.089 17 M CB -0.305 32.436 32.600 0.236 0.000 1.377 17 M HN 0.117 nan 8.290 nan 0.000 0.411 18 V N -0.550 119.424 119.914 0.100 0.000 2.407 18 V HA -0.176 3.922 4.120 -0.036 0.000 0.245 18 V C 2.243 178.395 176.094 0.097 0.000 1.041 18 V CA 2.138 64.474 62.300 0.060 0.000 1.040 18 V CB -0.099 31.776 31.823 0.086 0.000 0.671 18 V HN 0.418 nan 8.190 nan 0.000 0.455 19 S N -0.146 115.629 115.700 0.124 0.000 2.365 19 S HA -0.261 4.187 4.470 -0.036 0.000 0.225 19 S C 1.923 176.604 174.600 0.135 0.000 1.039 19 S CA 2.114 60.383 58.200 0.115 0.000 1.033 19 S CB -0.356 62.908 63.200 0.106 0.000 0.887 19 S HN 0.595 nan 8.310 nan 0.000 0.447 20 K N 0.723 121.243 120.400 0.200 0.000 1.978 20 K HA -0.030 4.268 4.320 -0.036 0.000 0.214 20 K C 2.143 178.896 176.600 0.256 0.000 1.049 20 K CA 1.521 57.956 56.287 0.246 0.000 0.939 20 K CB -0.465 32.261 32.500 0.376 0.000 0.721 20 K HN 0.299 nan 8.250 nan 0.000 0.441 21 I N 1.352 122.085 120.570 0.272 0.000 2.335 21 I HA -0.347 3.801 4.170 -0.036 0.000 0.251 21 I C 1.856 178.034 176.117 0.101 0.000 1.129 21 I CA 1.442 62.828 61.300 0.144 0.000 1.402 21 I CB -0.144 37.775 38.000 -0.135 0.000 1.069 21 I HN 0.311 nan 8.210 nan 0.000 0.424 22 N N -0.175 118.579 118.700 0.090 0.000 2.166 22 N HA -0.224 4.495 4.740 -0.036 0.000 0.186 22 N C 1.778 177.328 175.510 0.066 0.000 1.019 22 N CA 0.817 53.911 53.050 0.073 0.000 0.856 22 N CB 0.111 38.643 38.487 0.074 0.000 0.993 22 N HN 0.388 nan 8.380 nan 0.000 0.426 23 Q N 0.668 120.515 119.800 0.078 0.000 2.167 23 Q HA -0.058 4.260 4.340 -0.036 0.000 0.202 23 Q C 2.068 178.103 176.000 0.057 0.000 0.970 23 Q CA 0.670 56.510 55.803 0.060 0.000 0.855 23 Q CB -0.038 28.738 28.738 0.064 0.000 0.911 23 Q HN 0.556 nan 8.270 nan 0.000 0.438 24 I N 0.501 121.120 120.570 0.082 0.000 2.163 24 I HA -0.285 3.864 4.170 -0.036 0.000 0.243 24 I C 2.421 178.570 176.117 0.052 0.000 1.085 24 I CA 1.430 62.778 61.300 0.079 0.000 1.347 24 I CB -0.361 37.710 38.000 0.119 0.000 1.044 24 I HN 0.257 nan 8.210 nan 0.000 0.408 25 E N 0.604 120.833 120.200 0.049 0.000 2.153 25 E HA -0.230 4.099 4.350 -0.036 0.000 0.194 25 E C 2.248 178.840 176.600 -0.013 0.000 0.988 25 E CA 1.269 57.683 56.400 0.024 0.000 0.811 25 E CB 0.054 29.770 29.700 0.027 0.000 0.746 25 E HN 0.341 nan 8.360 nan 0.000 0.466 26 S N 1.261 116.956 115.700 -0.008 0.000 2.351 26 S HA -0.181 4.267 4.470 -0.036 0.000 0.220 26 S C 1.479 176.052 174.600 -0.045 0.000 1.035 26 S CA 1.732 59.912 58.200 -0.034 0.000 1.031 26 S CB -0.383 62.811 63.200 -0.010 0.000 0.928 26 S HN 0.562 nan 8.310 nan 0.000 0.433 27 D N 0.414 120.803 120.400 -0.017 0.000 2.323 27 D HA 0.017 4.635 4.640 -0.036 0.000 0.239 27 D C 1.071 177.362 176.300 -0.015 0.000 1.129 27 D CA 0.006 53.995 54.000 -0.017 0.000 0.865 27 D CB 0.174 40.973 40.800 -0.001 0.000 0.913 27 D HN 0.417 nan 8.370 nan 0.000 0.517 28 L N -0.243 120.966 121.223 -0.023 0.000 2.858 28 L HA 0.295 4.613 4.340 -0.036 0.000 0.251 28 L C 1.605 178.460 176.870 -0.026 0.000 1.149 28 L CA -0.027 54.808 54.840 -0.009 0.000 0.955 28 L CB 0.068 42.135 42.059 0.014 0.000 1.289 28 L HN -0.217 nan 8.230 nan 0.000 0.542 29 R N -0.457 119.993 120.500 -0.083 0.000 2.366 29 R HA 0.111 4.430 4.340 -0.036 0.000 0.201 29 R C 0.922 177.182 176.300 -0.066 0.000 1.057 29 R CA 0.421 56.437 56.100 -0.140 0.000 1.086 29 R CB -0.753 29.331 30.300 -0.360 0.000 0.914 29 R HN 0.261 nan 8.270 nan 0.000 0.476 30 S N 1.583 117.269 115.700 -0.023 0.000 3.048 30 S HA 0.020 4.468 4.470 -0.036 0.000 0.254 30 S C -0.123 174.490 174.600 0.023 0.000 1.084 30 S CA 0.065 58.267 58.200 0.003 0.000 1.195 30 S CB -0.376 62.826 63.200 0.004 0.000 0.870 30 S HN 0.362 nan 8.310 nan 0.000 0.483 31 K N -0.051 120.371 120.400 0.036 0.000 2.975 31 K HA -0.194 4.104 4.320 -0.036 0.000 0.257 31 K C -0.585 176.056 176.600 0.068 0.000 1.005 31 K CA 0.460 56.782 56.287 0.057 0.000 0.738 31 K CB -1.210 31.313 32.500 0.037 0.000 1.236 31 K HN 0.277 nan 8.250 nan 0.000 0.483 32 K N 1.422 121.864 120.400 0.071 0.000 2.160 32 K HA -0.014 4.284 4.320 -0.036 0.000 0.263 32 K C 0.703 177.382 176.600 0.131 0.000 1.120 32 K CA 0.333 56.667 56.287 0.079 0.000 1.115 32 K CB -0.071 32.469 32.500 0.067 0.000 0.971 32 K HN 0.273 nan 8.250 nan 0.000 0.400 33 N N -0.123 118.651 118.700 0.123 0.000 2.400 33 N HA -0.095 4.623 4.740 -0.036 0.000 0.228 33 N C 1.417 177.013 175.510 0.143 0.000 1.023 33 N CA 0.228 53.384 53.050 0.176 0.000 1.150 33 N CB -0.068 38.506 38.487 0.146 0.000 1.452 33 N HN 0.361 nan 8.380 nan 0.000 0.605 34 S N 1.103 116.864 115.700 0.102 0.000 2.400 34 S HA -0.184 4.264 4.470 -0.036 0.000 0.232 34 S C 1.709 176.334 174.600 0.042 0.000 1.025 34 S CA 1.377 59.620 58.200 0.072 0.000 0.993 34 S CB -0.276 62.959 63.200 0.059 0.000 0.808 34 S HN 0.301 nan 8.310 nan 0.000 0.478 35 E N -0.127 120.098 120.200 0.041 0.000 2.150 35 E HA -0.080 4.248 4.350 -0.036 0.000 0.193 35 E C 2.054 178.659 176.600 0.008 0.000 0.985 35 E CA 0.765 57.179 56.400 0.023 0.000 0.814 35 E CB -0.160 29.555 29.700 0.026 0.000 0.752 35 E HN 0.425 nan 8.360 nan 0.000 0.466 36 L N 1.252 122.485 121.223 0.016 0.000 2.056 36 L HA -0.130 4.189 4.340 -0.036 0.000 0.207 36 L C 2.133 178.923 176.870 -0.134 0.000 1.078 36 L CA 1.350 56.166 54.840 -0.040 0.000 0.749 36 L CB -0.646 41.420 42.059 0.012 0.000 0.901 36 L HN 0.291 nan 8.230 nan 0.000 0.433 37 I N -0.171 120.335 120.570 -0.107 0.000 2.208 37 I HA -0.359 3.790 4.170 -0.036 0.000 0.245 37 I C 2.621 178.695 176.117 -0.072 0.000 1.097 37 I CA 1.227 62.455 61.300 -0.120 0.000 1.363 37 I CB -0.375 37.607 38.000 -0.030 0.000 1.051 37 I HN 0.272 nan 8.210 nan 0.000 0.413 38 R N 0.444 120.924 120.500 -0.034 0.000 2.120 38 R HA -0.109 4.210 4.340 -0.036 0.000 0.234 38 R C 2.319 178.607 176.300 -0.019 0.000 1.123 38 R CA 1.044 57.133 56.100 -0.017 0.000 0.975 38 R CB -0.286 30.011 30.300 -0.005 0.000 0.866 38 R HN 0.406 nan 8.270 nan 0.000 0.446 39 L N 0.330 121.534 121.223 -0.031 0.000 2.217 39 L HA -0.105 4.213 4.340 -0.036 0.000 0.211 39 L C 2.408 179.276 176.870 -0.003 0.000 1.107 39 L CA 0.882 55.713 54.840 -0.015 0.000 0.783 39 L CB -0.139 41.911 42.059 -0.015 0.000 0.919 39 L HN 0.197 nan 8.230 nan 0.000 0.442 40 S N -0.384 115.288 115.700 -0.048 0.000 2.406 40 S HA -0.146 4.302 4.470 -0.036 0.000 0.228 40 S C 1.922 176.533 174.600 0.019 0.000 1.020 40 S CA 0.872 59.059 58.200 -0.022 0.000 0.965 40 S CB 0.016 63.144 63.200 -0.119 0.000 0.798 40 S HN 0.387 nan 8.310 nan 0.000 0.488 41 M N 0.256 119.856 119.600 -0.001 0.000 2.287 41 M HA 0.027 4.485 4.480 -0.036 0.000 0.266 41 M C 2.126 178.434 176.300 0.014 0.000 1.079 41 M CA 0.778 56.082 55.300 0.007 0.000 1.146 41 M CB -0.554 32.047 32.600 0.000 0.000 1.374 41 M HN 0.167 nan 8.290 nan 0.000 0.435 42 V N 1.709 121.631 119.914 0.012 0.000 2.220 42 V HA -0.271 3.827 4.120 -0.036 0.000 0.246 42 V C 2.421 178.530 176.094 0.026 0.000 1.049 42 V CA 1.926 64.233 62.300 0.011 0.000 1.003 42 V CB -0.737 31.088 31.823 0.002 0.000 0.634 42 V HN 0.452 nan 8.190 nan 0.000 0.444 43 L N -0.245 121.006 121.223 0.048 0.000 2.079 43 L HA -0.235 4.084 4.340 -0.036 0.000 0.210 43 L C 2.561 179.458 176.870 0.045 0.000 1.081 43 L CA 1.977 56.860 54.840 0.072 0.000 0.752 43 L CB -0.862 41.261 42.059 0.107 0.000 0.896 43 L HN 0.365 nan 8.230 nan 0.000 0.433 44 K N 1.083 121.506 120.400 0.038 0.000 2.052 44 K HA -0.254 4.044 4.320 -0.036 0.000 0.215 44 K C 1.582 178.184 176.600 0.003 0.000 1.053 44 K CA 2.254 58.550 56.287 0.015 0.000 0.934 44 K CB -0.045 32.468 32.500 0.022 0.000 0.717 44 K HN 0.397 nan 8.250 nan 0.000 0.450 45 E N -0.480 119.728 120.200 0.012 0.000 2.479 45 E HA 0.005 4.333 4.350 -0.036 0.000 0.193 45 E C 1.195 177.807 176.600 0.021 0.000 1.049 45 E CA 0.010 56.414 56.400 0.006 0.000 0.870 45 E CB 0.464 30.167 29.700 0.004 0.000 0.944 45 E HN 0.223 nan 8.360 nan 0.000 0.492 46 K N 0.136 120.569 120.400 0.056 0.000 2.418 46 K HA 0.009 4.308 4.320 -0.036 0.000 0.195 46 K C 1.095 177.771 176.600 0.127 0.000 1.035 46 K CA 0.409 56.785 56.287 0.149 0.000 1.003 46 K CB 0.616 33.247 32.500 0.218 0.000 0.793 46 K HN -0.013 nan 8.250 nan 0.000 0.494 47 V N -0.620 119.281 119.914 -0.023 0.000 3.927 47 V HA 0.008 4.107 4.120 -0.036 0.000 0.190 47 V C 0.061 176.087 176.094 -0.113 0.000 1.201 47 V CA -0.029 62.182 62.300 -0.148 0.000 1.324 47 V CB -0.263 31.432 31.823 -0.214 0.000 1.545 47 V HN 0.155 nan 8.190 nan 0.000 0.534 48 N N 0.987 119.634 118.700 -0.088 0.000 2.765 48 N HA -0.158 4.560 4.740 -0.036 0.000 0.248 48 N C -0.051 175.399 175.510 -0.100 0.000 1.063 48 N CA 1.224 54.230 53.050 -0.073 0.000 0.862 48 N CB -1.174 37.277 38.487 -0.061 0.000 1.145 48 N HN 0.894 nan 8.380 nan 0.000 0.581 49 S N -1.849 113.770 115.700 -0.135 0.000 2.558 49 S HA 0.478 4.926 4.470 -0.036 0.000 0.277 49 S C -0.216 174.257 174.600 -0.211 0.000 1.143 49 S CA -1.054 57.011 58.200 -0.225 0.000 0.865 49 S CB -0.015 62.980 63.200 -0.341 0.000 1.102 49 S HN 0.346 nan 8.310 nan 0.000 0.454 50 F N 0.502 120.403 119.950 -0.081 0.000 2.706 50 F HA 0.378 4.884 4.527 -0.036 0.000 0.315 50 F C 0.986 176.749 175.800 -0.061 0.000 1.286 50 F CA -0.638 57.323 58.000 -0.066 0.000 1.424 50 F CB -1.207 37.767 39.000 -0.044 0.000 1.262 50 F HN 0.617 nan 8.300 nan 0.000 0.547 51 E N -0.895 119.197 120.200 -0.180 0.000 2.526 51 E HA -0.094 4.234 4.350 -0.036 0.000 0.198 51 E C -0.152 176.416 176.600 -0.053 0.000 1.091 51 E CA 0.414 56.727 56.400 -0.146 0.000 0.880 51 E CB -0.978 28.612 29.700 -0.183 0.000 0.873 51 E HN 0.472 nan 8.360 nan 0.000 0.527 52 D N -0.488 119.911 120.400 -0.001 0.000 2.699 52 D HA -0.217 4.402 4.640 -0.036 0.000 0.239 52 D C -0.447 175.824 176.300 -0.048 0.000 1.136 52 D CA 0.987 55.010 54.000 0.039 0.000 0.668 52 D CB -1.739 39.112 40.800 0.085 0.000 1.060 52 D HN 0.497 nan 8.370 nan 0.000 0.429 53 A N 0.753 123.458 122.820 -0.190 0.000 2.901 53 A HA 0.038 4.337 4.320 -0.036 0.000 0.289 53 A C 1.326 178.829 177.584 -0.135 0.000 1.779 53 A CA 0.300 52.143 52.037 -0.324 0.000 1.352 53 A CB 0.061 18.459 19.000 -1.004 0.000 1.008 53 A HN 0.107 nan 8.150 nan 0.000 0.596 54 D N 1.410 121.805 120.400 -0.008 0.000 2.120 54 D HA -0.201 4.418 4.640 -0.036 0.000 0.191 54 D C 1.747 178.132 176.300 0.140 0.000 0.994 54 D CA 2.000 56.030 54.000 0.051 0.000 0.838 54 D CB -0.298 40.540 40.800 0.064 0.000 0.976 54 D HN 0.753 nan 8.370 nan 0.000 0.447 55 E N -0.532 119.742 120.200 0.123 0.000 2.164 55 E HA -0.291 4.038 4.350 -0.036 0.000 0.206 55 E C 2.030 178.731 176.600 0.170 0.000 1.032 55 E CA 1.597 58.039 56.400 0.070 0.000 0.832 55 E CB -0.307 29.395 29.700 0.004 0.000 0.742 55 E HN 0.492 nan 8.360 nan 0.000 0.460 56 H N 0.290 119.363 119.070 0.004 0.000 2.290 56 H HA -0.129 4.406 4.556 -0.036 0.000 0.298 56 H C 2.199 177.529 175.328 0.003 0.000 1.087 56 H CA 1.389 57.434 56.048 -0.006 0.000 1.291 56 H CB -0.612 29.109 29.762 -0.068 0.000 1.369 56 H HN 0.101 nan 8.280 nan 0.000 0.492 57 L N -0.735 120.519 121.223 0.052 0.000 2.197 57 L HA -0.237 4.082 4.340 -0.036 0.000 0.215 57 L C 1.878 178.648 176.870 -0.167 0.000 1.095 57 L CA 1.095 55.791 54.840 -0.241 0.000 0.764 57 L CB -0.533 41.252 42.059 -0.456 0.000 0.897 57 L HN 0.146 nan 8.230 nan 0.000 0.436 58 F N 0.295 120.190 119.950 -0.092 0.000 2.094 58 F HA -0.146 4.359 4.527 -0.037 0.000 0.291 58 F C 2.708 178.540 175.800 0.054 0.000 1.109 58 F CA 1.602 59.594 58.000 -0.013 0.000 1.221 58 F CB -0.534 38.459 39.000 -0.011 0.000 1.014 58 F HN 0.167 nan 8.300 nan 0.000 0.473 59 E N 0.183 120.519 120.200 0.227 0.000 2.208 59 E HA -0.057 4.271 4.350 -0.036 0.000 0.193 59 E C 2.126 178.826 176.600 0.167 0.000 0.988 59 E CA 0.975 57.465 56.400 0.150 0.000 0.828 59 E CB -0.481 29.263 29.700 0.074 0.000 0.763 59 E HN 0.275 nan 8.360 nan 0.000 0.478 60 A N 1.507 124.446 122.820 0.199 0.000 1.841 60 A HA -0.057 4.241 4.320 -0.036 0.000 0.214 60 A C 2.053 179.886 177.584 0.414 0.000 1.195 60 A CA 1.033 53.255 52.037 0.309 0.000 0.611 60 A CB -1.128 18.034 19.000 0.270 0.000 0.835 60 A HN 0.356 nan 8.150 nan 0.000 0.443 61 F N 0.235 120.254 119.950 0.114 0.000 2.120 61 F HA -0.272 4.233 4.527 -0.036 0.000 0.300 61 F C 2.868 178.703 175.800 0.058 0.000 1.095 61 F CA 0.563 58.607 58.000 0.073 0.000 1.249 61 F CB -0.068 38.916 39.000 -0.028 0.000 0.995 61 F HN 0.335 nan 8.300 nan 0.000 0.480 62 A N 0.403 123.368 122.820 0.241 0.000 1.873 62 A HA -0.271 4.027 4.320 -0.036 0.000 0.218 62 A C 2.091 179.744 177.584 0.114 0.000 1.193 62 A CA 1.893 54.014 52.037 0.140 0.000 0.629 62 A CB -1.199 17.875 19.000 0.123 0.000 0.826 62 A HN 0.523 nan 8.150 nan 0.000 0.447 63 L N -0.174 121.128 121.223 0.132 0.000 2.083 63 L HA -0.137 4.181 4.340 -0.036 0.000 0.209 63 L C 2.247 179.158 176.870 0.068 0.000 1.083 63 L CA 1.694 56.591 54.840 0.096 0.000 0.752 63 L CB -0.326 41.785 42.059 0.086 0.000 0.899 63 L HN 0.208 nan 8.230 nan 0.000 0.433 64 V N 0.349 120.302 119.914 0.065 0.000 2.215 64 V HA -0.360 3.738 4.120 -0.036 0.000 0.246 64 V C 2.726 178.824 176.094 0.007 0.000 1.047 64 V CA 2.420 64.715 62.300 -0.009 0.000 0.999 64 V CB -0.822 30.980 31.823 -0.034 0.000 0.635 64 V HN 0.516 nan 8.190 nan 0.000 0.450 65 R N -0.394 120.097 120.500 -0.015 0.000 2.136 65 R HA -0.314 4.005 4.340 -0.036 0.000 0.242 65 R C 2.419 178.744 176.300 0.042 0.000 1.131 65 R CA 2.529 58.626 56.100 -0.006 0.000 0.937 65 R CB -0.428 29.869 30.300 -0.005 0.000 0.863 65 R HN 0.619 nan 8.270 nan 0.000 0.435 66 E N 0.063 120.305 120.200 0.070 0.000 2.085 66 E HA -0.153 4.175 4.350 -0.036 0.000 0.194 66 E C 1.672 178.362 176.600 0.150 0.000 0.994 66 E CA 1.693 58.156 56.400 0.103 0.000 0.801 66 E CB -0.260 29.503 29.700 0.104 0.000 0.743 66 E HN 0.419 nan 8.360 nan 0.000 0.453 67 A N 0.789 123.733 122.820 0.207 0.000 1.948 67 A HA -0.161 4.138 4.320 -0.036 0.000 0.220 67 A C 2.433 180.077 177.584 0.099 0.000 1.177 67 A CA 2.412 54.675 52.037 0.376 0.000 0.636 67 A CB -1.095 18.135 19.000 0.383 0.000 0.815 67 A HN 0.424 nan 8.150 nan 0.000 0.449 68 A N -0.294 122.558 122.820 0.054 0.000 1.841 68 A HA -0.094 4.204 4.320 -0.036 0.000 0.214 68 A C 2.126 179.682 177.584 -0.045 0.000 1.195 68 A CA 2.072 54.095 52.037 -0.023 0.000 0.611 68 A CB -0.552 18.437 19.000 -0.019 0.000 0.835 68 A HN 0.461 nan 8.150 nan 0.000 0.443 69 R N 0.364 120.887 120.500 0.039 0.000 2.153 69 R HA -0.191 4.128 4.340 -0.036 0.000 0.252 69 R C 2.156 178.546 176.300 0.150 0.000 1.158 69 R CA 2.295 58.485 56.100 0.149 0.000 0.975 69 R CB -0.578 29.857 30.300 0.225 0.000 0.871 69 R HN 0.633 nan 8.270 nan 0.000 0.450 70 R N -1.133 119.396 120.500 0.048 0.000 2.062 70 R HA -0.038 4.281 4.340 -0.036 0.000 0.229 70 R C 2.417 178.537 176.300 -0.301 0.000 1.128 70 R CA 1.857 57.929 56.100 -0.048 0.000 0.960 70 R CB -0.607 29.567 30.300 -0.209 0.000 0.855 70 R HN 0.556 nan 8.270 nan 0.000 0.432 71 T N -1.227 113.118 114.554 -0.347 0.000 2.770 71 T HA 0.054 4.383 4.350 -0.036 0.000 0.263 71 T C 0.918 175.421 174.700 -0.328 0.000 1.039 71 T CA 0.704 62.606 62.100 -0.331 0.000 1.142 71 T CB 0.052 68.758 68.868 -0.269 0.000 0.868 71 T HN 0.006 nan 8.240 nan 0.000 0.435 72 L N -0.225 120.814 121.223 -0.307 0.000 2.591 72 L HA 0.603 4.921 4.340 -0.036 0.000 0.257 72 L C 0.942 177.664 176.870 -0.247 0.000 0.935 72 L CA -1.039 53.600 54.840 -0.335 0.000 0.873 72 L CB 1.824 43.659 42.059 -0.373 0.000 1.397 72 L HN 0.328 nan 8.230 nan 0.000 0.414 73 G N 1.865 110.529 108.800 -0.226 0.000 2.313 73 G HA2 0.221 4.159 3.960 -0.036 0.000 0.283 73 G HA3 0.221 4.159 3.960 -0.036 0.000 0.283 73 G C 0.265 175.112 174.900 -0.088 0.000 1.476 73 G CA -0.377 44.665 45.100 -0.097 0.000 1.054 73 G HN 0.706 nan 8.290 nan 0.000 0.550 74 M N -1.047 118.513 119.600 -0.066 0.000 3.865 74 M HA -0.139 4.319 4.480 -0.036 0.000 0.160 74 M C 0.066 176.320 176.300 -0.077 0.000 1.498 74 M CA 0.910 56.162 55.300 -0.080 0.000 1.040 74 M CB -1.288 31.324 32.600 0.020 0.000 1.331 74 M HN 0.870 nan 8.290 nan 0.000 0.362 75 R N -0.092 120.339 120.500 -0.115 0.000 2.483 75 R HA 0.233 4.551 4.340 -0.036 0.000 0.170 75 R C -2.714 173.555 176.300 -0.053 0.000 0.555 75 R CA -0.200 55.855 56.100 -0.075 0.000 0.781 75 R CB -1.269 29.012 30.300 -0.030 0.000 1.238 75 R HN 0.356 nan 8.270 nan 0.000 0.549 76 P HA 0.242 nan 4.420 nan 0.000 0.272 76 P C -0.309 177.109 177.300 0.198 0.000 1.276 76 P CA 0.020 63.152 63.100 0.053 0.000 0.871 76 P CB 0.368 32.124 31.700 0.094 0.000 1.313 77 F N 1.536 121.410 119.950 -0.127 0.000 2.390 77 F HA 0.171 4.676 4.527 -0.037 0.000 0.307 77 F C 1.772 177.475 175.800 -0.161 0.000 1.227 77 F CA -0.677 57.134 58.000 -0.315 0.000 1.179 77 F CB -0.022 38.791 39.000 -0.312 0.000 1.280 77 F HN -0.182 nan 8.300 nan 0.000 0.548 78 D N -0.247 120.172 120.400 0.031 0.000 2.431 78 D HA -0.021 4.597 4.640 -0.036 0.000 0.227 78 D C 2.092 178.421 176.300 0.049 0.000 1.030 78 D CA 0.759 54.791 54.000 0.053 0.000 0.897 78 D CB -0.133 40.711 40.800 0.073 0.000 1.058 78 D HN 0.302 nan 8.370 nan 0.000 0.500 79 V N 0.742 120.679 119.914 0.039 0.000 3.330 79 V HA -0.221 3.877 4.120 -0.036 0.000 0.273 79 V C 1.816 177.937 176.094 0.045 0.000 1.179 79 V CA 1.797 64.125 62.300 0.047 0.000 1.174 79 V CB -0.847 30.997 31.823 0.036 0.000 0.794 79 V HN 0.160 nan 8.190 nan 0.000 0.527 80 Q N -0.526 119.299 119.800 0.042 0.000 2.387 80 Q HA 0.147 4.466 4.340 -0.036 0.000 0.208 80 Q C 2.013 178.010 176.000 -0.006 0.000 0.935 80 Q CA 1.130 56.945 55.803 0.021 0.000 0.891 80 Q CB -0.416 28.335 28.738 0.022 0.000 1.007 80 Q HN 0.366 nan 8.270 nan 0.000 0.548 81 V N 1.862 121.776 119.914 0.000 0.000 2.216 81 V HA -0.281 3.817 4.120 -0.036 0.000 0.243 81 V C 2.430 178.556 176.094 0.052 0.000 1.044 81 V CA 2.436 64.736 62.300 -0.000 0.000 0.995 81 V CB -0.706 31.136 31.823 0.031 0.000 0.633 81 V HN 0.394 nan 8.190 nan 0.000 0.446 82 M N 0.460 120.072 119.600 0.020 0.000 2.267 82 M HA -0.086 4.372 4.480 -0.036 0.000 0.263 82 M C 2.135 178.393 176.300 -0.071 0.000 1.063 82 M CA 1.837 57.097 55.300 -0.065 0.000 1.090 82 M CB -1.003 31.611 32.600 0.024 0.000 1.392 82 M HN 0.507 nan 8.290 nan 0.000 0.422 83 G N 0.705 109.514 108.800 0.014 0.000 2.552 83 G HA2 -0.174 3.764 3.960 -0.036 0.000 0.216 83 G HA3 -0.174 3.764 3.960 -0.036 0.000 0.216 83 G C 1.552 176.498 174.900 0.077 0.000 1.240 83 G CA 1.012 46.135 45.100 0.038 0.000 0.796 83 G HN 0.525 nan 8.290 nan 0.000 0.568 84 G N 1.084 109.967 108.800 0.139 0.000 2.505 84 G HA2 -0.269 3.669 3.960 -0.036 0.000 0.220 84 G HA3 -0.269 3.669 3.960 -0.036 0.000 0.220 84 G C 1.639 176.739 174.900 0.334 0.000 1.145 84 G CA 1.230 46.531 45.100 0.335 0.000 0.761 84 G HN 0.332 nan 8.290 nan 0.000 0.571 85 I N 1.987 122.665 120.570 0.180 0.000 2.032 85 I HA -0.250 3.899 4.170 -0.036 0.000 0.231 85 I C 3.325 179.377 176.117 -0.109 0.000 1.035 85 I CA 1.588 62.809 61.300 -0.131 0.000 1.312 85 I CB -1.683 36.024 38.000 -0.487 0.000 1.041 85 I HN 0.285 nan 8.210 nan 0.000 0.390 86 A N 0.678 123.350 122.820 -0.248 0.000 1.986 86 A HA -0.202 4.096 4.320 -0.036 0.000 0.220 86 A C 2.464 180.105 177.584 0.095 0.000 1.171 86 A CA 1.628 53.666 52.037 0.002 0.000 0.640 86 A CB -0.973 18.094 19.000 0.112 0.000 0.811 86 A HN 0.490 nan 8.150 nan 0.000 0.451 87 L N -1.752 119.536 121.223 0.108 0.000 1.990 87 L HA -0.266 4.052 4.340 -0.036 0.000 0.213 87 L C 2.659 179.664 176.870 0.226 0.000 1.072 87 L CA 2.055 56.988 54.840 0.155 0.000 0.755 87 L CB -0.716 41.453 42.059 0.183 0.000 0.889 87 L HN 0.664 nan 8.230 nan 0.000 0.432 88 H N -0.300 118.858 119.070 0.146 0.000 2.489 88 H HA -0.192 4.343 4.556 -0.035 0.000 0.295 88 H C 2.132 177.529 175.328 0.116 0.000 1.082 88 H CA 1.776 57.898 56.048 0.123 0.000 1.295 88 H CB 0.147 29.906 29.762 -0.005 0.000 1.380 88 H HN 0.341 nan 8.280 nan 0.000 0.548 89 E N -0.759 119.484 120.200 0.072 0.000 2.076 89 E HA 0.077 4.405 4.350 -0.036 0.000 0.190 89 E C 0.333 176.963 176.600 0.050 0.000 0.979 89 E CA 0.628 57.051 56.400 0.039 0.000 0.807 89 E CB 0.258 30.038 29.700 0.133 0.000 0.761 89 E HN 0.592 nan 8.360 nan 0.000 0.454 90 G N 0.901 109.748 108.800 0.077 0.000 3.002 90 G HA2 -0.133 3.805 3.960 -0.036 0.000 0.224 90 G HA3 -0.133 3.805 3.960 -0.036 0.000 0.224 90 G C -0.366 174.560 174.900 0.043 0.000 1.013 90 G CA 0.190 45.318 45.100 0.046 0.000 1.200 90 G HN 0.146 nan 8.290 nan 0.000 0.589 91 K N -1.440 118.991 120.400 0.053 0.000 1.684 91 K HA 0.763 5.061 4.320 -0.036 0.000 0.298 91 K C -0.537 176.125 176.600 0.103 0.000 0.860 91 K CA -0.075 56.270 56.287 0.097 0.000 0.413 91 K CB 1.143 33.724 32.500 0.136 0.000 3.134 91 K HN 1.053 nan 8.250 nan 0.000 1.114 92 V N -0.590 119.404 119.914 0.134 0.000 2.707 92 V HA 0.698 4.796 4.120 -0.036 0.000 0.271 92 V C -0.704 175.445 176.094 0.091 0.000 1.013 92 V CA -0.962 61.408 62.300 0.116 0.000 0.908 92 V CB 0.812 32.738 31.823 0.171 0.000 1.051 92 V HN 0.734 nan 8.190 nan 0.000 0.476 93 A N 2.857 125.725 122.820 0.080 0.000 2.249 93 A HA 1.000 5.298 4.320 -0.036 0.000 0.281 93 A C 0.546 178.161 177.584 0.052 0.000 1.127 93 A CA 0.436 52.519 52.037 0.075 0.000 0.833 93 A CB 0.375 19.418 19.000 0.071 0.000 1.140 93 A HN 1.404 nan 8.150 nan 0.000 0.502 94 E N -2.561 117.666 120.200 0.045 0.000 5.236 94 E HA -0.174 4.154 4.350 -0.036 0.000 0.365 94 E C 0.010 176.619 176.600 0.015 0.000 1.356 94 E CA 0.827 57.244 56.400 0.028 0.000 2.469 94 E CB -1.047 28.665 29.700 0.019 0.000 1.708 94 E HN 1.367 nan 8.360 nan 0.000 0.467 95 M N -0.328 119.274 119.600 0.004 0.000 3.282 95 M HA -0.095 4.364 4.480 -0.036 0.000 0.276 95 M C -1.038 175.258 176.300 -0.007 0.000 0.523 95 M CA 1.227 56.523 55.300 -0.005 0.000 1.003 95 M CB -0.279 32.319 32.600 -0.003 0.000 3.567 95 M HN 0.814 nan 8.290 nan 0.000 0.339 96 K N 0.617 121.015 120.400 -0.003 0.000 8.238 96 K HA -0.072 4.226 4.320 -0.036 0.000 0.897 96 K C -0.814 175.794 176.600 0.013 0.000 2.567 96 K CA 0.907 57.191 56.287 -0.005 0.000 1.539 96 K CB -1.730 30.761 32.500 -0.015 0.000 2.089 96 K HN 0.495 nan 8.250 nan 0.000 0.344 97 T N 0.259 114.823 114.554 0.016 0.000 0.564 97 T HA 0.182 4.511 4.350 -0.036 0.000 0.771 97 T C 1.058 175.826 174.700 0.113 0.000 0.992 97 T CA 1.709 63.837 62.100 0.047 0.000 4.064 97 T CB -1.611 67.281 68.868 0.041 0.000 2.295 97 T HN 2.303 nan 8.240 nan 0.000 0.396 98 G N 2.704 111.607 108.800 0.172 0.000 2.677 98 G HA2 -0.373 3.565 3.960 -0.036 0.000 0.321 98 G HA3 -0.373 3.565 3.960 -0.036 0.000 0.321 98 G C 0.636 175.709 174.900 0.290 0.000 1.181 98 G CA 1.948 47.280 45.100 0.386 0.000 0.965 98 G HN 1.458 nan 8.290 nan 0.000 0.548 99 E N -1.368 119.065 120.200 0.387 0.000 3.668 99 E HA -0.383 3.945 4.350 -0.036 0.000 0.379 99 E C 1.647 178.335 176.600 0.147 0.000 1.449 99 E CA 3.177 59.699 56.400 0.204 0.000 1.618 99 E CB -1.579 28.171 29.700 0.082 0.000 1.529 99 E HN 2.541 nan 8.360 nan 0.000 0.352 100 G N -0.393 108.439 108.800 0.054 0.000 2.834 100 G HA2 -0.122 3.816 3.960 -0.036 0.000 0.217 100 G HA3 -0.122 3.816 3.960 -0.036 0.000 0.217 100 G C 0.477 175.374 174.900 -0.006 0.000 0.974 100 G CA 0.540 45.645 45.100 0.010 0.000 0.826 100 G HN 0.117 nan 8.290 nan 0.000 0.584 101 K N 0.540 120.929 120.400 -0.018 0.000 2.206 101 K HA -0.322 3.976 4.320 -0.036 0.000 0.211 101 K C 2.738 179.323 176.600 -0.024 0.000 1.047 101 K CA 2.641 58.913 56.287 -0.024 0.000 0.933 101 K CB -0.517 31.951 32.500 -0.053 0.000 0.721 101 K HN 0.702 nan 8.250 nan 0.000 0.471 102 T N 0.474 114.986 114.554 -0.070 0.000 2.564 102 T HA -0.160 4.169 4.350 -0.036 0.000 0.259 102 T C 2.200 176.961 174.700 0.100 0.000 1.087 102 T CA 1.613 63.692 62.100 -0.036 0.000 1.184 102 T CB -0.961 67.775 68.868 -0.220 0.000 0.864 102 T HN 0.303 nan 8.240 nan 0.000 0.403 103 L N 1.869 123.167 121.223 0.125 0.000 1.970 103 L HA 0.075 4.393 4.340 -0.036 0.000 0.212 103 L C 3.131 180.018 176.870 0.028 0.000 1.071 103 L CA 1.573 56.465 54.840 0.088 0.000 0.751 103 L CB -1.815 40.277 42.059 0.056 0.000 0.889 103 L HN 0.374 nan 8.230 nan 0.000 0.432 104 A N 0.993 123.815 122.820 0.004 0.000 1.873 104 A HA -0.343 3.956 4.320 -0.036 0.000 0.219 104 A C 2.643 180.231 177.584 0.007 0.000 1.269 104 A CA 3.419 55.442 52.037 -0.023 0.000 0.671 104 A CB -1.515 17.488 19.000 0.005 0.000 0.842 104 A HN 0.635 nan 8.150 nan 0.000 0.460 105 A N -2.111 120.745 122.820 0.061 0.000 1.894 105 A HA -0.321 3.977 4.320 -0.036 0.000 0.220 105 A C 2.370 180.039 177.584 0.142 0.000 1.237 105 A CA 3.366 55.472 52.037 0.115 0.000 0.660 105 A CB -1.773 17.316 19.000 0.148 0.000 0.835 105 A HN 0.657 nan 8.150 nan 0.000 0.461 106 T N -0.700 113.943 114.554 0.148 0.000 2.714 106 T HA -0.259 4.070 4.350 -0.036 0.000 0.268 106 T C 1.822 176.624 174.700 0.169 0.000 1.036 106 T CA 2.104 64.326 62.100 0.203 0.000 1.148 106 T CB -0.446 68.523 68.868 0.168 0.000 0.856 106 T HN 0.486 nan 8.240 nan 0.000 0.462 107 M N 0.959 120.551 119.600 -0.013 0.000 2.180 107 M HA -0.073 4.385 4.480 -0.036 0.000 0.260 107 M C -0.437 175.971 176.300 0.179 0.000 1.071 107 M CA 2.270 57.419 55.300 -0.252 0.000 1.096 107 M CB -1.479 30.540 32.600 -0.969 0.000 1.276 107 M HN 0.199 nan 8.290 nan 0.000 0.426 108 P HA -0.105 nan 4.420 nan 0.000 0.218 108 P C 1.517 179.018 177.300 0.336 0.000 1.149 108 P CA 1.557 64.964 63.100 0.510 0.000 0.817 108 P CB -0.373 31.606 31.700 0.465 0.000 0.785 109 I N -1.459 119.285 120.570 0.290 0.000 2.300 109 I HA -0.295 3.853 4.170 -0.036 0.000 0.252 109 I C 2.692 178.942 176.117 0.222 0.000 1.119 109 I CA 1.655 63.101 61.300 0.244 0.000 1.384 109 I CB -0.782 37.362 38.000 0.241 0.000 1.062 109 I HN -0.062 nan 8.210 nan 0.000 0.426 110 Y N 1.431 121.805 120.300 0.122 0.000 2.092 110 Y HA -0.213 4.316 4.550 -0.036 0.000 0.282 110 Y C 2.355 178.284 175.900 0.048 0.000 1.126 110 Y CA 1.423 59.551 58.100 0.047 0.000 1.111 110 Y CB -0.545 37.965 38.460 0.083 0.000 0.987 110 Y HN -0.099 nan 8.280 nan 0.000 0.489 111 L N 1.097 122.225 121.223 -0.158 0.000 1.971 111 L HA -0.313 4.005 4.340 -0.036 0.000 0.215 111 L C 2.155 178.887 176.870 -0.230 0.000 1.072 111 L CA 2.188 56.829 54.840 -0.333 0.000 0.758 111 L CB -1.715 40.208 42.059 -0.227 0.000 0.889 111 L HN 0.421 nan 8.230 nan 0.000 0.433 112 N N 0.207 118.846 118.700 -0.102 0.000 2.043 112 N HA -0.189 4.529 4.740 -0.036 0.000 0.193 112 N C 1.837 177.319 175.510 -0.047 0.000 1.037 112 N CA 1.682 54.681 53.050 -0.086 0.000 0.851 112 N CB -0.281 38.122 38.487 -0.139 0.000 1.027 112 N HN 0.342 nan 8.380 nan 0.000 0.422 113 A N 2.149 124.953 122.820 -0.026 0.000 1.927 113 A HA -0.156 4.143 4.320 -0.036 0.000 0.220 113 A C 2.398 179.961 177.584 -0.034 0.000 1.185 113 A CA 1.240 53.271 52.037 -0.011 0.000 0.639 113 A CB -1.047 17.942 19.000 -0.019 0.000 0.820 113 A HN 0.287 nan 8.150 nan 0.000 0.451 114 L N 0.153 121.308 121.223 -0.112 0.000 2.211 114 L HA -0.306 4.012 4.340 -0.036 0.000 0.216 114 L C 2.519 179.355 176.870 -0.057 0.000 1.092 114 L CA 1.730 56.498 54.840 -0.121 0.000 0.767 114 L CB -1.076 40.846 42.059 -0.228 0.000 0.894 114 L HN 0.712 nan 8.230 nan 0.000 0.437 115 I N -2.102 118.454 120.570 -0.023 0.000 2.248 115 I HA -0.155 3.994 4.170 -0.036 0.000 0.248 115 I C 1.675 177.805 176.117 0.022 0.000 1.107 115 I CA 1.323 62.635 61.300 0.020 0.000 1.373 115 I CB -0.943 37.121 38.000 0.106 0.000 1.055 115 I HN 0.390 nan 8.210 nan 0.000 0.418 116 G N 1.079 109.898 108.800 0.031 0.000 2.144 116 G HA2 -0.235 3.703 3.960 -0.036 0.000 0.218 116 G HA3 -0.235 3.703 3.960 -0.036 0.000 0.218 116 G C 0.787 175.717 174.900 0.050 0.000 0.988 116 G CA 0.422 45.540 45.100 0.030 0.000 0.659 116 G HN 0.507 nan 8.290 nan 0.000 0.522 117 K N -0.022 120.431 120.400 0.088 0.000 2.128 117 K HA 0.429 4.727 4.320 -0.036 0.000 0.202 117 K C 1.225 177.936 176.600 0.186 0.000 1.050 117 K CA 0.770 57.120 56.287 0.105 0.000 0.966 117 K CB 0.342 32.880 32.500 0.063 0.000 0.759 117 K HN 1.496 nan 8.250 nan 0.000 0.454 118 G N 1.697 110.609 108.800 0.186 0.000 3.363 118 G HA2 -0.064 3.875 3.960 -0.036 0.000 0.685 118 G HA3 -0.064 3.875 3.960 -0.036 0.000 0.685 118 G C -0.738 174.191 174.900 0.048 0.000 1.199 118 G CA -0.444 44.738 45.100 0.136 0.000 0.946 118 G HN 0.160 nan 8.290 nan 0.000 0.558 119 V N 0.967 120.873 119.914 -0.014 0.000 2.667 119 V HA 0.897 4.995 4.120 -0.036 0.000 0.308 119 V C 0.178 176.232 176.094 -0.066 0.000 1.048 119 V CA -1.425 60.782 62.300 -0.155 0.000 0.928 119 V CB 1.748 33.565 31.823 -0.010 0.000 1.004 119 V HN 0.867 nan 8.190 nan 0.000 0.444 120 H N 4.517 123.491 119.070 -0.159 0.000 2.511 120 H HA 0.642 5.175 4.556 -0.037 0.000 0.346 120 H C -0.502 174.805 175.328 -0.035 0.000 1.128 120 H CA -1.114 54.845 56.048 -0.149 0.000 1.342 120 H CB 1.730 31.358 29.762 -0.225 0.000 1.470 120 H HN 0.575 nan 8.280 nan 0.000 0.546 121 L N 4.218 125.610 121.223 0.283 0.000 2.529 121 L HA 0.163 4.482 4.340 -0.036 0.000 0.258 121 L C -0.632 176.508 176.870 0.451 0.000 1.032 121 L CA -0.675 54.330 54.840 0.276 0.000 0.899 121 L CB 0.424 42.582 42.059 0.164 0.000 1.174 121 L HN 0.326 nan 8.230 nan 0.000 0.458 122 V N 2.143 122.276 119.914 0.365 0.000 2.740 122 V HA 0.629 4.727 4.120 -0.036 0.000 0.303 122 V C 0.665 176.864 176.094 0.175 0.000 1.054 122 V CA -0.034 62.468 62.300 0.336 0.000 1.106 122 V CB 0.594 32.591 31.823 0.289 0.000 0.957 122 V HN 0.865 nan 8.190 nan 0.000 0.486 123 T N -0.056 114.552 114.554 0.091 0.000 2.923 123 T HA 0.455 4.783 4.350 -0.036 0.000 0.311 123 T C 0.342 175.019 174.700 -0.037 0.000 1.183 123 T CA 0.061 62.161 62.100 0.000 0.000 1.020 123 T CB 1.594 70.431 68.868 -0.052 0.000 1.165 123 T HN 0.494 nan 8.240 nan 0.000 0.482 124 V N 1.161 121.042 119.914 -0.054 0.000 2.255 124 V HA 0.011 4.109 4.120 -0.036 0.000 0.247 124 V C 0.654 176.708 176.094 -0.067 0.000 1.051 124 V CA 2.526 64.789 62.300 -0.061 0.000 1.018 124 V CB -0.908 30.871 31.823 -0.072 0.000 0.641 124 V HN 1.100 nan 8.190 nan 0.000 0.445 125 N N -1.799 116.862 118.700 -0.065 0.000 2.455 125 N HA 0.236 4.955 4.740 -0.036 0.000 0.278 125 N C 0.104 175.590 175.510 -0.041 0.000 1.291 125 N CA -0.207 52.820 53.050 -0.039 0.000 0.780 125 N CB 1.027 39.517 38.487 0.004 0.000 1.520 125 N HN -0.020 nan 8.380 nan 0.000 0.486 126 D N 0.233 120.626 120.400 -0.011 0.000 2.230 126 D HA -0.281 4.338 4.640 -0.036 0.000 0.189 126 D C 1.393 177.703 176.300 0.017 0.000 1.006 126 D CA 2.102 56.100 54.000 -0.003 0.000 0.853 126 D CB -0.730 40.095 40.800 0.042 0.000 0.959 126 D HN 0.686 nan 8.370 nan 0.000 0.449 127 Y N 0.916 121.183 120.300 -0.056 0.000 2.173 127 Y HA -0.215 4.313 4.550 -0.036 0.000 0.282 127 Y C 2.182 178.024 175.900 -0.096 0.000 1.192 127 Y CA 1.291 59.352 58.100 -0.065 0.000 1.176 127 Y CB -0.581 37.843 38.460 -0.060 0.000 0.969 127 Y HN 0.068 nan 8.280 nan 0.000 0.519 128 L N -0.628 120.402 121.223 -0.322 0.000 2.209 128 L HA 0.073 4.391 4.340 -0.036 0.000 0.207 128 L C 2.582 179.242 176.870 -0.351 0.000 1.094 128 L CA 1.001 55.577 54.840 -0.440 0.000 0.790 128 L CB -0.607 41.270 42.059 -0.303 0.000 0.932 128 L HN 0.292 nan 8.230 nan 0.000 0.447 129 A N 0.479 123.154 122.820 -0.243 0.000 1.908 129 A HA -0.258 4.040 4.320 -0.036 0.000 0.218 129 A C 2.224 179.649 177.584 -0.265 0.000 1.181 129 A CA 1.890 53.786 52.037 -0.234 0.000 0.627 129 A CB -0.449 18.468 19.000 -0.139 0.000 0.818 129 A HN 0.437 nan 8.150 nan 0.000 0.445 130 R N -0.819 119.564 120.500 -0.194 0.000 2.115 130 R HA -0.006 4.313 4.340 -0.036 0.000 0.226 130 R C 2.334 178.507 176.300 -0.212 0.000 1.100 130 R CA 1.063 57.076 56.100 -0.145 0.000 0.980 130 R CB -0.347 29.909 30.300 -0.073 0.000 0.875 130 R HN 0.626 nan 8.270 nan 0.000 0.445 131 R N 1.447 121.751 120.500 -0.327 0.000 2.221 131 R HA -0.192 4.127 4.340 -0.036 0.000 0.215 131 R C 1.261 177.401 176.300 -0.266 0.000 1.092 131 R CA 2.247 58.146 56.100 -0.334 0.000 0.858 131 R CB -0.542 29.472 30.300 -0.476 0.000 0.791 131 R HN 0.126 nan 8.270 nan 0.000 0.442 132 D N 0.299 120.455 120.400 -0.406 0.000 2.203 132 D HA -0.227 4.391 4.640 -0.036 0.000 0.199 132 D C 1.744 177.815 176.300 -0.382 0.000 0.997 132 D CA 1.512 55.274 54.000 -0.397 0.000 0.863 132 D CB -0.335 40.091 40.800 -0.624 0.000 0.928 132 D HN 0.518 nan 8.370 nan 0.000 0.458 133 A N 0.706 123.188 122.820 -0.563 0.000 1.903 133 A HA -0.207 4.091 4.320 -0.036 0.000 0.219 133 A C 2.377 179.953 177.584 -0.013 0.000 1.191 133 A CA 1.498 53.450 52.037 -0.141 0.000 0.638 133 A CB -0.704 18.255 19.000 -0.068 0.000 0.823 133 A HN 0.272 nan 8.150 nan 0.000 0.451 134 L N -3.095 118.105 121.223 -0.038 0.000 2.357 134 L HA 0.008 4.326 4.340 -0.036 0.000 0.211 134 L C 2.399 179.253 176.870 -0.026 0.000 1.075 134 L CA 0.200 55.025 54.840 -0.024 0.000 0.830 134 L CB -0.466 41.578 42.059 -0.025 0.000 0.996 134 L HN 0.721 nan 8.230 nan 0.000 0.467 135 W N 2.711 123.917 121.300 -0.158 0.000 2.359 135 W HA -0.216 4.422 4.660 -0.036 0.000 0.275 135 W C 1.680 178.118 176.519 -0.134 0.000 1.217 135 W CA 1.866 59.124 57.345 -0.146 0.000 1.196 135 W CB 0.131 29.496 29.460 -0.158 0.000 1.129 135 W HN 0.299 nan 8.180 nan 0.000 0.566 136 M N -2.176 117.408 119.600 -0.028 0.000 2.300 136 M HA 0.409 4.868 4.480 -0.036 0.000 0.313 136 M C 1.739 177.888 176.300 -0.251 0.000 0.988 136 M CA 0.761 55.987 55.300 -0.124 0.000 1.012 136 M CB -0.718 31.861 32.600 -0.035 0.000 1.586 136 M HN -0.218 nan 8.290 nan 0.000 0.562 137 G N 2.590 111.264 108.800 -0.209 0.000 2.503 137 G HA2 -0.155 3.783 3.960 -0.036 0.000 0.221 137 G HA3 -0.155 3.783 3.960 -0.036 0.000 0.221 137 G C -1.030 173.835 174.900 -0.057 0.000 1.131 137 G CA 1.106 46.105 45.100 -0.169 0.000 0.756 137 G HN 0.376 nan 8.290 nan 0.000 0.572 138 P HA -0.186 nan 4.420 nan 0.000 0.209 138 P C 2.461 179.821 177.300 0.100 0.000 1.167 138 P CA 2.599 65.686 63.100 -0.021 0.000 0.941 138 P CB -0.589 31.040 31.700 -0.119 0.000 0.787 139 V N -3.542 116.439 119.914 0.111 0.000 2.511 139 V HA -0.335 3.763 4.120 -0.036 0.000 0.257 139 V C 2.049 178.382 176.094 0.398 0.000 1.088 139 V CA 1.755 64.222 62.300 0.277 0.000 1.098 139 V CB -2.151 29.800 31.823 0.214 0.000 0.674 139 V HN 0.182 nan 8.190 nan 0.000 0.470 140 Y N -0.251 120.104 120.300 0.092 0.000 2.133 140 Y HA -0.080 4.449 4.550 -0.037 0.000 0.287 140 Y C 2.527 178.487 175.900 0.100 0.000 1.134 140 Y CA 1.325 59.475 58.100 0.083 0.000 1.133 140 Y CB -0.061 38.456 38.460 0.095 0.000 0.987 140 Y HN 0.349 nan 8.280 nan 0.000 0.502 141 L N -0.373 121.023 121.223 0.289 0.000 2.275 141 L HA -0.190 4.129 4.340 -0.036 0.000 0.215 141 L C 2.008 179.016 176.870 0.229 0.000 1.119 141 L CA 1.322 56.287 54.840 0.208 0.000 0.790 141 L CB -0.664 41.498 42.059 0.172 0.000 0.919 141 L HN 0.241 nan 8.230 nan 0.000 0.443 142 F N -0.921 119.069 119.950 0.066 0.000 2.113 142 F HA -0.148 4.357 4.527 -0.036 0.000 0.297 142 F C 1.348 177.156 175.800 0.012 0.000 1.103 142 F CA 0.669 58.690 58.000 0.034 0.000 1.248 142 F CB 0.278 39.290 39.000 0.020 0.000 0.999 142 F HN 0.034 nan 8.300 nan 0.000 0.475 143 L N 1.293 122.480 121.223 -0.059 0.000 2.737 143 L HA 0.296 4.614 4.340 -0.036 0.000 0.236 143 L C 0.938 177.767 176.870 -0.068 0.000 1.219 143 L CA 0.309 55.026 54.840 -0.205 0.000 1.021 143 L CB -0.591 41.276 42.059 -0.320 0.000 1.291 143 L HN 0.225 nan 8.230 nan 0.000 0.470 144 G N 0.873 109.672 108.800 -0.002 0.000 2.195 144 G HA2 -0.242 3.696 3.960 -0.036 0.000 0.256 144 G HA3 -0.242 3.696 3.960 -0.036 0.000 0.256 144 G C -0.100 174.816 174.900 0.026 0.000 0.817 144 G CA 0.577 45.696 45.100 0.031 0.000 1.235 144 G HN 0.327 nan 8.290 nan 0.000 0.358 145 L N -0.366 120.880 121.223 0.039 0.000 2.301 145 L HA 0.815 5.134 4.340 -0.036 0.000 0.249 145 L C 0.178 177.105 176.870 0.095 0.000 1.069 145 L CA -1.580 53.267 54.840 0.012 0.000 0.865 145 L CB 2.082 44.051 42.059 -0.149 0.000 1.467 145 L HN 0.244 nan 8.230 nan 0.000 0.419 146 R N 0.462 121.019 120.500 0.096 0.000 2.388 146 R HA 0.519 4.838 4.340 -0.036 0.000 0.314 146 R C -0.910 175.501 176.300 0.184 0.000 0.959 146 R CA -0.368 55.837 56.100 0.174 0.000 0.851 146 R CB 1.535 31.934 30.300 0.165 0.000 1.168 146 R HN 0.411 nan 8.270 nan 0.000 0.472 147 V N 3.047 123.147 119.914 0.311 0.000 3.376 147 V HA 0.686 4.784 4.120 -0.036 0.000 0.303 147 V C 0.111 176.266 176.094 0.102 0.000 1.100 147 V CA 0.804 63.294 62.300 0.316 0.000 1.126 147 V CB 1.236 33.271 31.823 0.353 0.000 1.085 147 V HN 0.901 nan 8.190 nan 0.000 0.480 148 G N 3.296 112.104 108.800 0.013 0.000 2.532 148 G HA2 0.478 4.416 3.960 -0.036 0.000 0.300 148 G HA3 0.478 4.416 3.960 -0.036 0.000 0.300 148 G C -1.397 173.472 174.900 -0.052 0.000 1.911 148 G CA 0.324 45.200 45.100 -0.373 0.000 0.948 148 G HN 1.165 nan 8.290 nan 0.000 0.453 149 V N 4.031 124.050 119.914 0.174 0.000 2.581 149 V HA 0.868 4.966 4.120 -0.036 0.000 0.303 149 V C -0.495 175.674 176.094 0.125 0.000 1.041 149 V CA -1.077 61.323 62.300 0.167 0.000 0.907 149 V CB 1.612 33.549 31.823 0.191 0.000 0.994 149 V HN 0.661 nan 8.190 nan 0.000 0.442 150 I N 5.842 126.415 120.570 0.005 0.000 2.562 150 I HA 0.658 4.806 4.170 -0.036 0.000 0.301 150 I C -0.738 175.349 176.117 -0.050 0.000 1.003 150 I CA -0.433 60.864 61.300 -0.006 0.000 1.127 150 I CB 1.789 39.768 38.000 -0.035 0.000 1.304 150 I HN 0.745 nan 8.210 nan 0.000 0.446 151 N N 3.009 121.711 118.700 0.003 0.000 2.591 151 N HA 0.291 5.009 4.740 -0.036 0.000 0.263 151 N C 0.291 175.822 175.510 0.035 0.000 1.308 151 N CA -0.314 52.734 53.050 -0.003 0.000 0.837 151 N CB 2.141 40.628 38.487 0.001 0.000 1.548 151 N HN 0.730 nan 8.380 nan 0.000 0.493 152 S N 0.236 115.962 115.700 0.044 0.000 2.614 152 S HA -0.274 4.175 4.470 -0.036 0.000 0.365 152 S C 1.301 175.948 174.600 0.079 0.000 1.312 152 S CA 2.327 60.571 58.200 0.074 0.000 1.416 152 S CB -0.385 62.851 63.200 0.060 0.000 1.399 152 S HN 0.587 nan 8.310 nan 0.000 0.473 153 L N -0.738 120.518 121.223 0.056 0.000 3.017 153 L HA 0.449 4.767 4.340 -0.036 0.000 0.265 153 L C 0.886 177.787 176.870 0.052 0.000 1.128 153 L CA 0.753 55.625 54.840 0.053 0.000 0.984 153 L CB 0.103 42.184 42.059 0.037 0.000 1.464 153 L HN 0.405 nan 8.230 nan 0.000 0.556 154 G N 0.097 108.923 108.800 0.045 0.000 2.537 154 G HA2 0.679 4.617 3.960 -0.036 0.000 0.308 154 G HA3 0.679 4.617 3.960 -0.036 0.000 0.308 154 G C -1.294 173.642 174.900 0.059 0.000 1.237 154 G CA -0.418 44.710 45.100 0.047 0.000 0.968 154 G HN 0.028 nan 8.290 nan 0.000 0.481 155 K N -1.266 119.178 120.400 0.074 0.000 2.502 155 K HA 0.789 5.087 4.320 -0.036 0.000 0.257 155 K C -0.804 175.849 176.600 0.089 0.000 0.938 155 K CA -0.757 55.597 56.287 0.111 0.000 0.819 155 K CB 2.205 34.809 32.500 0.172 0.000 1.333 155 K HN 0.792 nan 8.250 nan 0.000 0.434 156 S N 0.367 116.139 115.700 0.121 0.000 2.638 156 S HA 0.796 5.245 4.470 -0.036 0.000 0.274 156 S C -1.556 173.138 174.600 0.157 0.000 1.157 156 S CA -0.916 57.269 58.200 -0.024 0.000 0.826 156 S CB 0.848 64.032 63.200 -0.027 0.000 1.139 156 S HN 1.126 nan 8.310 nan 0.000 0.474 157 Y N -2.240 118.104 120.300 0.073 0.000 2.276 157 Y HA 0.796 5.324 4.550 -0.036 0.000 0.321 157 Y C -1.040 174.918 175.900 0.096 0.000 1.375 157 Y CA -0.680 57.475 58.100 0.093 0.000 1.347 157 Y CB -0.123 38.401 38.460 0.107 0.000 1.287 157 Y HN 1.091 nan 8.280 nan 0.000 0.433 158 E N 1.363 121.685 120.200 0.203 0.000 2.185 158 E HA 0.774 5.102 4.350 -0.036 0.000 0.249 158 E C -1.760 174.930 176.600 0.149 0.000 1.408 158 E CA -0.802 55.692 56.400 0.156 0.000 0.937 158 E CB 1.875 31.610 29.700 0.059 0.000 1.581 158 E HN 0.472 nan 8.360 nan 0.000 0.498 159 V N 0.159 120.149 119.914 0.127 0.000 3.271 159 V HA 0.437 4.535 4.120 -0.036 0.000 0.305 159 V C -0.053 176.111 176.094 0.118 0.000 1.303 159 V CA -0.677 61.694 62.300 0.119 0.000 1.038 159 V CB 1.055 32.953 31.823 0.126 0.000 1.197 159 V HN 0.643 nan 8.190 nan 0.000 0.478 160 V N -1.019 118.967 119.914 0.120 0.000 3.233 160 V HA -0.123 3.976 4.120 -0.036 0.000 0.290 160 V C -0.036 176.172 176.094 0.189 0.000 1.275 160 V CA -0.034 62.359 62.300 0.155 0.000 1.375 160 V CB -0.484 31.419 31.823 0.134 0.000 0.980 160 V HN 0.811 nan 8.190 nan 0.000 0.521 161 W N 3.336 124.656 121.300 0.034 0.000 2.170 161 W HA 0.375 5.013 4.660 -0.036 0.000 0.336 161 W C 1.265 177.794 176.519 0.017 0.000 1.283 161 W CA 0.021 57.380 57.345 0.023 0.000 1.224 161 W CB 0.161 29.635 29.460 0.023 0.000 1.132 161 W HN 0.941 nan 8.180 nan 0.000 0.571 162 K N 1.381 121.289 120.400 -0.820 0.000 2.089 162 K HA -0.479 3.820 4.320 -0.036 0.000 0.103 162 K C 1.283 177.676 176.600 -0.345 0.000 1.220 162 K CA 2.586 58.394 56.287 -0.799 0.000 0.527 162 K CB -1.149 30.507 32.500 -1.407 0.000 0.515 162 K HN 0.814 nan 8.250 nan 0.000 1.010 163 N N -0.495 118.027 118.700 -0.297 0.000 2.545 163 N HA 0.086 4.804 4.740 -0.036 0.000 0.190 163 N C -1.453 174.018 175.510 -0.064 0.000 1.043 163 N CA 0.177 53.142 53.050 -0.141 0.000 0.879 163 N CB 0.063 38.473 38.487 -0.128 0.000 1.210 163 N HN 0.280 nan 8.380 nan 0.000 0.437 164 P HA -0.119 nan 4.420 nan 0.000 0.214 164 P C 0.241 177.557 177.300 0.025 0.000 1.163 164 P CA 1.548 64.656 63.100 0.013 0.000 0.883 164 P CB -0.114 31.623 31.700 0.062 0.000 0.788 165 D N 0.064 120.503 120.400 0.065 0.000 2.133 165 D HA -0.167 4.451 4.640 -0.036 0.000 0.192 165 D C 2.165 178.490 176.300 0.041 0.000 1.001 165 D CA 1.171 55.213 54.000 0.070 0.000 0.844 165 D CB -0.863 40.019 40.800 0.135 0.000 0.944 165 D HN 0.163 nan 8.370 nan 0.000 0.447 166 L N 0.116 121.355 121.223 0.027 0.000 2.046 166 L HA -0.105 4.214 4.340 -0.036 0.000 0.208 166 L C 2.203 179.086 176.870 0.020 0.000 1.077 166 L CA 1.071 55.926 54.840 0.025 0.000 0.747 166 L CB -0.403 41.662 42.059 0.009 0.000 0.896 166 L HN 0.042 nan 8.230 nan 0.000 0.432 167 A N -0.615 122.209 122.820 0.007 0.000 2.235 167 A HA -0.042 4.256 4.320 -0.036 0.000 0.208 167 A C 2.197 179.780 177.584 -0.002 0.000 1.172 167 A CA 0.601 52.640 52.037 0.004 0.000 0.786 167 A CB -0.378 18.619 19.000 -0.005 0.000 0.804 167 A HN 0.339 nan 8.150 nan 0.000 0.479 168 R N -0.807 119.692 120.500 -0.000 0.000 2.123 168 R HA 0.069 4.387 4.340 -0.036 0.000 0.209 168 R C 1.416 177.708 176.300 -0.014 0.000 1.078 168 R CA 1.132 57.220 56.100 -0.021 0.000 1.028 168 R CB -0.027 30.257 30.300 -0.026 0.000 0.939 168 R HN 0.328 nan 8.270 nan 0.000 0.463 169 K N 0.270 120.679 120.400 0.014 0.000 2.352 169 K HA 0.233 4.531 4.320 -0.036 0.000 0.194 169 K C 1.723 178.361 176.600 0.062 0.000 1.038 169 K CA 0.624 56.931 56.287 0.034 0.000 1.023 169 K CB 0.311 32.837 32.500 0.044 0.000 0.840 169 K HN 0.051 nan 8.250 nan 0.000 0.519 170 A N 1.990 124.844 122.820 0.056 0.000 1.873 170 A HA -0.215 4.084 4.320 -0.036 0.000 0.218 170 A C 2.239 179.872 177.584 0.083 0.000 1.193 170 A CA 2.117 54.195 52.037 0.068 0.000 0.629 170 A CB -0.843 18.186 19.000 0.048 0.000 0.826 170 A HN 0.438 nan 8.150 nan 0.000 0.447 171 I N -4.185 116.428 120.570 0.070 0.000 2.500 171 I HA 0.005 4.153 4.170 -0.036 0.000 0.252 171 I C 1.782 177.989 176.117 0.150 0.000 1.142 171 I CA 1.525 62.884 61.300 0.099 0.000 1.451 171 I CB -0.436 37.604 38.000 0.067 0.000 1.093 171 I HN 0.051 nan 8.210 nan 0.000 0.430 172 E N 1.375 121.637 120.200 0.102 0.000 2.515 172 E HA -0.164 4.164 4.350 -0.036 0.000 0.201 172 E C 1.734 178.448 176.600 0.190 0.000 1.071 172 E CA 0.439 56.923 56.400 0.140 0.000 0.880 172 E CB -0.059 29.658 29.700 0.028 0.000 0.828 172 E HN 0.535 nan 8.360 nan 0.000 0.540 173 E N 0.869 121.170 120.200 0.169 0.000 2.060 173 E HA -0.074 4.254 4.350 -0.036 0.000 0.189 173 E C 1.400 178.118 176.600 0.196 0.000 0.974 173 E CA 0.738 57.248 56.400 0.185 0.000 0.808 173 E CB -0.050 29.760 29.700 0.183 0.000 0.768 173 E HN 0.254 nan 8.360 nan 0.000 0.453 174 N N 0.354 119.165 118.700 0.185 0.000 2.166 174 N HA -0.142 4.576 4.740 -0.036 0.000 0.186 174 N C 1.502 177.121 175.510 0.181 0.000 1.019 174 N CA 1.102 54.248 53.050 0.160 0.000 0.856 174 N CB -0.344 38.232 38.487 0.148 0.000 0.993 174 N HN 0.282 nan 8.380 nan 0.000 0.426 175 W N 1.457 122.788 121.300 0.052 0.000 2.487 175 W HA 0.136 4.775 4.660 -0.036 0.000 0.320 175 W C 0.489 177.044 176.519 0.059 0.000 1.149 175 W CA 1.282 58.656 57.345 0.047 0.000 1.342 175 W CB -0.675 28.806 29.460 0.035 0.000 1.200 175 W HN -0.016 nan 8.180 nan 0.000 0.464 176 S N 0.647 116.627 115.700 0.467 0.000 3.386 176 S HA -0.234 4.214 4.470 -0.036 0.000 0.403 176 S C -0.517 174.274 174.600 0.318 0.000 0.893 176 S CA 0.388 58.770 58.200 0.304 0.000 1.336 176 S CB -1.407 61.899 63.200 0.176 0.000 0.925 176 S HN 0.358 nan 8.310 nan 0.000 0.589 177 V N 7.144 127.352 119.914 0.490 0.000 2.390 177 V HA 0.521 4.619 4.120 -0.036 0.000 0.260 177 V C 0.605 176.945 176.094 0.409 0.000 1.043 177 V CA 1.477 64.007 62.300 0.383 0.000 1.047 177 V CB 0.234 32.379 31.823 0.536 0.000 1.066 177 V HN 0.893 nan 8.190 nan 0.000 0.481 178 W N 6.615 127.949 121.300 0.056 0.000 5.315 178 W HA 0.154 4.792 4.660 -0.036 0.000 0.156 178 W C -1.896 174.652 176.519 0.047 0.000 1.387 178 W CA 0.483 57.851 57.345 0.039 0.000 1.815 178 W CB -0.188 29.290 29.460 0.030 0.000 0.537 178 W HN 0.494 nan 8.180 nan 0.000 1.106 179 P HA 0.118 nan 4.420 nan 0.000 0.231 179 P C -0.987 176.196 177.300 -0.195 0.000 1.210 179 P CA 1.579 64.602 63.100 -0.127 0.000 1.332 179 P CB -0.358 31.399 31.700 0.095 0.000 1.594 180 D N 0.909 120.882 120.400 -0.712 0.000 2.785 180 D HA 0.350 4.968 4.640 -0.036 0.000 0.239 180 D C 0.740 176.403 176.300 -1.062 0.000 1.142 180 D CA 0.601 53.978 54.000 -1.039 0.000 0.734 180 D CB 0.893 41.390 40.800 -0.506 0.000 1.820 180 D HN 0.247 nan 8.370 nan 0.000 0.461 181 G N 1.180 109.318 108.800 -1.103 0.000 2.143 181 G HA2 -0.287 3.652 3.960 -0.036 0.000 0.249 181 G HA3 -0.287 3.652 3.960 -0.036 0.000 0.249 181 G C 0.593 175.211 174.900 -0.469 0.000 0.981 181 G CA 0.701 45.437 45.100 -0.608 0.000 0.665 181 G HN 0.376 nan 8.290 nan 0.000 0.528 182 F N -0.517 119.305 119.950 -0.214 0.000 2.070 182 F HA 0.504 5.010 4.527 -0.036 0.000 0.199 182 F C 1.307 177.067 175.800 -0.066 0.000 0.764 182 F CA -0.678 57.230 58.000 -0.153 0.000 1.142 182 F CB -0.927 37.971 39.000 -0.170 0.000 2.130 182 F HN 0.230 nan 8.300 nan 0.000 0.625 183 N N 0.140 119.060 118.700 0.366 0.000 2.725 183 N HA 0.109 4.827 4.740 -0.036 0.000 0.256 183 N C -0.519 175.070 175.510 0.131 0.000 1.087 183 N CA 0.310 53.476 53.050 0.193 0.000 0.690 183 N CB -1.521 37.086 38.487 0.200 0.000 0.891 183 N HN 1.190 nan 8.380 nan 0.000 0.553 184 G N 0.247 109.124 108.800 0.129 0.000 2.270 184 G HA2 0.210 4.149 3.960 -0.036 0.000 0.295 184 G HA3 0.210 4.149 3.960 -0.036 0.000 0.295 184 G C -0.300 174.683 174.900 0.139 0.000 1.732 184 G CA -0.832 44.340 45.100 0.120 0.000 0.909 184 G HN 0.123 nan 8.290 nan 0.000 0.730 185 E N 0.282 120.581 120.200 0.164 0.000 2.438 185 E HA 0.083 4.412 4.350 -0.036 0.000 0.192 185 E C 1.754 178.445 176.600 0.151 0.000 1.110 185 E CA 0.353 56.861 56.400 0.181 0.000 0.893 185 E CB 0.261 30.153 29.700 0.320 0.000 0.990 185 E HN 0.814 nan 8.360 nan 0.000 0.490 186 V N -0.131 119.863 119.914 0.133 0.000 2.346 186 V HA 0.145 4.243 4.120 -0.036 0.000 0.320 186 V C 0.428 176.588 176.094 0.110 0.000 1.663 186 V CA -0.638 61.731 62.300 0.114 0.000 1.667 186 V CB -1.654 30.228 31.823 0.097 0.000 1.465 186 V HN 0.255 nan 8.190 nan 0.000 0.524 187 L N -0.663 120.622 121.223 0.104 0.000 2.704 187 L HA 0.419 4.737 4.340 -0.036 0.000 0.279 187 L C 0.705 177.626 176.870 0.086 0.000 1.147 187 L CA 0.372 55.280 54.840 0.113 0.000 0.994 187 L CB -0.254 41.848 42.059 0.071 0.000 1.332 187 L HN 0.184 nan 8.230 nan 0.000 0.471 188 K N 2.399 122.863 120.400 0.106 0.000 2.583 188 K HA 0.204 4.503 4.320 -0.036 0.000 0.266 188 K C -0.172 176.461 176.600 0.056 0.000 1.037 188 K CA -0.467 55.866 56.287 0.077 0.000 0.996 188 K CB 0.883 33.432 32.500 0.082 0.000 1.307 188 K HN 0.694 nan 8.250 nan 0.000 0.502 189 E N 1.556 121.780 120.200 0.040 0.000 2.073 189 E HA 0.130 4.458 4.350 -0.036 0.000 0.269 189 E C -0.947 175.668 176.600 0.024 0.000 0.917 189 E CA -0.186 56.222 56.400 0.013 0.000 0.757 189 E CB 0.324 30.028 29.700 0.007 0.000 1.111 189 E HN 0.506 nan 8.360 nan 0.000 0.410 190 E N 1.852 122.059 120.200 0.012 0.000 2.238 190 E HA 0.172 4.500 4.350 -0.036 0.000 0.252 190 E C -0.664 175.940 176.600 0.007 0.000 1.317 190 E CA -0.269 56.154 56.400 0.039 0.000 0.921 190 E CB -0.175 29.587 29.700 0.104 0.000 1.626 190 E HN 0.367 nan 8.360 nan 0.000 0.488 191 S N -0.632 115.113 115.700 0.075 0.000 3.749 191 S HA -0.235 4.214 4.470 -0.036 0.000 0.348 191 S C 0.823 175.409 174.600 -0.022 0.000 1.045 191 S CA 1.360 59.603 58.200 0.072 0.000 1.051 191 S CB -1.787 61.434 63.200 0.035 0.000 0.898 191 S HN 0.601 nan 8.310 nan 0.000 0.472 192 M N 1.060 120.656 119.600 -0.007 0.000 2.267 192 M HA -0.166 4.293 4.480 -0.036 0.000 0.263 192 M C 1.590 177.878 176.300 -0.020 0.000 1.063 192 M CA 2.400 57.688 55.300 -0.019 0.000 1.090 192 M CB -0.278 32.320 32.600 -0.003 0.000 1.392 192 M HN 0.610 nan 8.290 nan 0.000 0.422 193 N N 0.455 119.153 118.700 -0.002 0.000 2.573 193 N HA -0.148 4.571 4.740 -0.036 0.000 0.187 193 N C 1.400 176.895 175.510 -0.025 0.000 1.107 193 N CA 1.022 54.064 53.050 -0.014 0.000 0.918 193 N CB 0.058 38.557 38.487 0.021 0.000 0.966 193 N HN 0.433 nan 8.380 nan 0.000 0.448 194 K N -0.452 119.928 120.400 -0.033 0.000 2.225 194 K HA 0.057 4.355 4.320 -0.036 0.000 0.204 194 K C 1.271 177.816 176.600 -0.091 0.000 1.047 194 K CA 0.183 56.431 56.287 -0.065 0.000 0.970 194 K CB 0.135 32.563 32.500 -0.120 0.000 0.939 194 K HN 0.013 nan 8.250 nan 0.000 0.472 195 E N 1.225 121.361 120.200 -0.107 0.000 2.012 195 E HA -0.195 4.133 4.350 -0.036 0.000 0.197 195 E C 1.954 178.592 176.600 0.063 0.000 1.007 195 E CA 1.448 57.806 56.400 -0.071 0.000 0.816 195 E CB -0.657 28.991 29.700 -0.088 0.000 0.762 195 E HN 0.384 nan 8.360 nan 0.000 0.451 196 A N 1.029 123.891 122.820 0.070 0.000 2.204 196 A HA -0.145 4.153 4.320 -0.036 0.000 0.220 196 A C 2.381 179.901 177.584 -0.106 0.000 1.165 196 A CA 1.711 53.802 52.037 0.089 0.000 0.671 196 A CB -0.349 18.637 19.000 -0.023 0.000 0.792 196 A HN 0.154 nan 8.150 nan 0.000 0.473 197 V N -1.931 117.953 119.914 -0.051 0.000 2.911 197 V HA 0.004 4.103 4.120 -0.036 0.000 0.237 197 V C 2.186 178.278 176.094 -0.003 0.000 1.156 197 V CA 1.220 63.462 62.300 -0.095 0.000 1.180 197 V CB -0.223 31.540 31.823 -0.099 0.000 0.932 197 V HN 0.651 nan 8.190 nan 0.000 0.483 198 E N 0.855 121.056 120.200 0.002 0.000 2.075 198 E HA -0.006 4.322 4.350 -0.036 0.000 0.190 198 E C 2.140 178.752 176.600 0.020 0.000 0.969 198 E CA 0.963 57.360 56.400 -0.006 0.000 0.815 198 E CB -0.122 29.532 29.700 -0.078 0.000 0.776 198 E HN 0.443 nan 8.360 nan 0.000 0.457 199 A N 0.354 123.176 122.820 0.004 0.000 2.148 199 A HA -0.171 4.127 4.320 -0.036 0.000 0.222 199 A C 1.464 179.028 177.584 -0.034 0.000 1.161 199 A CA 0.959 52.961 52.037 -0.058 0.000 0.662 199 A CB -0.784 18.157 19.000 -0.098 0.000 0.799 199 A HN 0.356 nan 8.150 nan 0.000 0.466 200 F N -0.717 119.181 119.950 -0.086 0.000 2.804 200 F HA 0.085 4.590 4.527 -0.036 0.000 0.303 200 F C 2.048 177.827 175.800 -0.035 0.000 1.154 200 F CA 0.713 58.678 58.000 -0.058 0.000 1.401 200 F CB -0.216 38.758 39.000 -0.044 0.000 1.106 200 F HN 0.259 nan 8.300 nan 0.000 0.568 201 Q N -0.094 119.758 119.800 0.086 0.000 2.291 201 Q HA -0.060 4.258 4.340 -0.036 0.000 0.206 201 Q C 0.559 176.581 176.000 0.036 0.000 0.976 201 Q CA 0.548 56.388 55.803 0.060 0.000 0.875 201 Q CB -0.020 28.729 28.738 0.019 0.000 0.927 201 Q HN 0.100 nan 8.270 nan 0.000 0.450 202 V N 2.329 122.231 119.914 -0.021 0.000 2.393 202 V HA 0.037 4.136 4.120 -0.036 0.000 0.257 202 V C -0.143 175.949 176.094 -0.003 0.000 1.040 202 V CA 0.670 62.949 62.300 -0.034 0.000 1.097 202 V CB -0.225 31.541 31.823 -0.094 0.000 1.101 202 V HN 0.248 nan 8.190 nan 0.000 0.479 203 E N 4.122 124.345 120.200 0.038 0.000 2.412 203 E HA 0.752 5.080 4.350 -0.036 0.000 0.279 203 E C -1.671 174.970 176.600 0.068 0.000 0.984 203 E CA -0.967 55.469 56.400 0.060 0.000 0.788 203 E CB 2.693 32.464 29.700 0.119 0.000 1.277 203 E HN 0.357 nan 8.360 nan 0.000 0.455 204 L N 1.280 122.540 121.223 0.061 0.000 2.482 204 L HA 0.498 4.817 4.340 -0.036 0.000 0.263 204 L C -0.783 176.106 176.870 0.031 0.000 0.957 204 L CA -0.484 54.381 54.840 0.042 0.000 0.836 204 L CB 2.011 44.087 42.059 0.029 0.000 1.324 204 L HN 0.292 nan 8.230 nan 0.000 0.406 205 K N 1.198 121.590 120.400 -0.015 0.000 2.281 205 K HA 0.546 4.844 4.320 -0.036 0.000 0.242 205 K C -0.866 175.672 176.600 -0.104 0.000 0.971 205 K CA -0.776 55.495 56.287 -0.027 0.000 0.834 205 K CB 1.576 34.067 32.500 -0.016 0.000 1.181 205 K HN 0.572 nan 8.250 nan 0.000 0.435 206 E N 2.307 122.467 120.200 -0.066 0.000 2.316 206 E HA 0.189 4.517 4.350 -0.036 0.000 0.275 206 E C -0.418 176.117 176.600 -0.108 0.000 1.029 206 E CA -0.003 56.353 56.400 -0.073 0.000 0.871 206 E CB 0.741 30.428 29.700 -0.022 0.000 1.022 206 E HN 0.302 nan 8.360 nan 0.000 0.418 207 I N 0.211 120.708 120.570 -0.121 0.000 3.600 207 I HA 0.328 4.476 4.170 -0.036 0.000 0.302 207 I C 0.133 176.280 176.117 0.050 0.000 1.175 207 I CA -0.742 60.512 61.300 -0.077 0.000 1.059 207 I CB 1.576 39.435 38.000 -0.235 0.000 1.359 207 I HN 0.515 nan 8.210 nan 0.000 0.468 208 T N -2.613 112.023 114.554 0.137 0.000 2.838 208 T HA 0.476 4.804 4.350 -0.036 0.000 0.292 208 T C 0.691 175.527 174.700 0.228 0.000 1.113 208 T CA -0.874 61.321 62.100 0.159 0.000 1.008 208 T CB 1.754 70.692 68.868 0.116 0.000 1.259 208 T HN 0.453 nan 8.240 nan 0.000 0.520 209 R N 1.542 122.167 120.500 0.208 0.000 2.133 209 R HA -0.212 4.106 4.340 -0.036 0.000 0.245 209 R C 2.079 178.558 176.300 0.298 0.000 1.137 209 R CA 2.379 58.638 56.100 0.266 0.000 0.947 209 R CB -1.446 28.996 30.300 0.237 0.000 0.865 209 R HN 0.953 nan 8.270 nan 0.000 0.437 210 K N 1.143 121.672 120.400 0.215 0.000 1.970 210 K HA -0.205 4.093 4.320 -0.036 0.000 0.225 210 K C 2.134 178.852 176.600 0.198 0.000 1.045 210 K CA 1.660 58.056 56.287 0.181 0.000 1.002 210 K CB -0.647 31.922 32.500 0.115 0.000 0.743 210 K HN 0.142 nan 8.250 nan 0.000 0.445 211 E N 0.905 121.221 120.200 0.193 0.000 2.187 211 E HA -0.262 4.066 4.350 -0.036 0.000 0.199 211 E C 1.918 178.624 176.600 0.177 0.000 1.004 211 E CA 1.310 57.834 56.400 0.208 0.000 0.813 211 E CB -0.216 29.638 29.700 0.257 0.000 0.736 211 E HN 0.493 nan 8.360 nan 0.000 0.468 212 A N 0.310 123.247 122.820 0.196 0.000 1.837 212 A HA -0.247 4.052 4.320 -0.036 0.000 0.216 212 A C 1.917 179.381 177.584 -0.200 0.000 1.210 212 A CA 1.878 53.796 52.037 -0.199 0.000 0.632 212 A CB -1.334 17.691 19.000 0.042 0.000 0.843 212 A HN 0.448 nan 8.150 nan 0.000 0.448 213 Y N -0.497 119.814 120.300 0.017 0.000 2.030 213 Y HA -0.211 4.317 4.550 -0.035 0.000 0.274 213 Y C 2.224 178.147 175.900 0.040 0.000 1.153 213 Y CA 1.836 59.973 58.100 0.063 0.000 1.115 213 Y CB -0.583 37.949 38.460 0.120 0.000 0.969 213 Y HN 0.221 nan 8.280 nan 0.000 0.488 214 L N -0.935 120.422 121.223 0.224 0.000 2.551 214 L HA -0.215 4.103 4.340 -0.036 0.000 0.230 214 L C 1.612 178.531 176.870 0.081 0.000 1.163 214 L CA 0.486 55.407 54.840 0.134 0.000 0.826 214 L CB -1.150 40.972 42.059 0.104 0.000 0.943 214 L HN 0.295 nan 8.230 nan 0.000 0.452 215 C N -0.684 118.635 119.300 0.031 0.000 2.611 215 C HA -0.003 4.436 4.460 -0.036 0.000 0.248 215 C C 1.975 176.971 174.990 0.009 0.000 2.483 215 C CA -0.420 58.597 59.018 -0.002 0.000 1.770 215 C CB 0.041 27.708 27.740 -0.121 0.000 1.900 215 C HN 0.444 nan 8.230 nan 0.000 0.545 216 D N -0.439 119.959 120.400 -0.004 0.000 2.230 216 D HA 0.130 4.748 4.640 -0.036 0.000 0.274 216 D C -0.025 176.274 176.300 -0.002 0.000 1.222 216 D CA 0.413 54.412 54.000 -0.001 0.000 0.943 216 D CB -0.696 40.088 40.800 -0.028 0.000 0.920 216 D HN 0.212 nan 8.370 nan 0.000 0.300 217 V N 0.784 120.700 119.914 0.003 0.000 2.637 217 V HA 0.252 4.350 4.120 -0.036 0.000 0.296 217 V C 0.351 176.421 176.094 -0.041 0.000 1.046 217 V CA 0.119 62.417 62.300 -0.003 0.000 1.066 217 V CB 0.916 32.785 31.823 0.076 0.000 0.968 217 V HN 0.480 nan 8.190 nan 0.000 0.483 218 T N 2.230 116.772 114.554 -0.019 0.000 2.947 218 T HA 0.453 4.782 4.350 -0.036 0.000 0.337 218 T C -0.800 174.037 174.700 0.229 0.000 1.139 218 T CA -0.418 61.713 62.100 0.051 0.000 0.992 218 T CB -0.184 68.729 68.868 0.074 0.000 1.043 218 T HN 0.441 nan 8.240 nan 0.000 0.498 219 Y N 2.526 122.937 120.300 0.185 0.000 2.404 219 Y HA 0.553 5.081 4.550 -0.036 0.000 0.344 219 Y C 1.162 177.058 175.900 -0.007 0.000 0.995 219 Y CA -0.286 57.900 58.100 0.142 0.000 1.201 219 Y CB 0.979 39.478 38.460 0.065 0.000 1.151 219 Y HN 1.079 nan 8.280 nan 0.000 0.517 220 G N 1.257 110.089 108.800 0.053 0.000 2.608 220 G HA2 0.390 4.329 3.960 -0.036 0.000 0.291 220 G HA3 0.390 4.329 3.960 -0.036 0.000 0.291 220 G C -1.272 173.228 174.900 -0.666 0.000 1.425 220 G CA -0.983 43.676 45.100 -0.735 0.000 0.787 220 G HN 0.418 nan 8.290 nan 0.000 0.484 221 T N -1.070 113.094 114.554 -0.650 0.000 2.829 221 T HA 0.318 4.647 4.350 -0.036 0.000 0.282 221 T C 1.589 176.099 174.700 -0.317 0.000 0.990 221 T CA 0.088 61.989 62.100 -0.331 0.000 1.028 221 T CB 1.521 70.266 68.868 -0.205 0.000 0.951 221 T HN 0.729 nan 8.240 nan 0.000 0.460 222 N N 4.786 123.430 118.700 -0.095 0.000 2.060 222 N HA -0.296 4.422 4.740 -0.036 0.000 0.195 222 N C 1.158 176.538 175.510 -0.217 0.000 1.028 222 N CA 2.162 55.175 53.050 -0.061 0.000 0.861 222 N CB -1.055 37.442 38.487 0.015 0.000 1.029 222 N HN 0.840 nan 8.380 nan 0.000 0.428 223 N N 0.769 119.323 118.700 -0.243 0.000 2.021 223 N HA -0.222 4.497 4.740 -0.036 0.000 0.198 223 N C 1.610 176.707 175.510 -0.688 0.000 1.041 223 N CA 1.746 54.520 53.050 -0.459 0.000 0.862 223 N CB -0.193 38.146 38.487 -0.247 0.000 1.048 223 N HN 0.314 nan 8.380 nan 0.000 0.427 224 E N 0.709 120.709 120.200 -0.333 0.000 2.007 224 E HA -0.060 4.268 4.350 -0.036 0.000 0.194 224 E C 1.735 178.334 176.600 -0.001 0.000 0.999 224 E CA 1.165 57.483 56.400 -0.137 0.000 0.811 224 E CB -0.475 29.129 29.700 -0.159 0.000 0.762 224 E HN 0.301 nan 8.360 nan 0.000 0.450 225 F N 0.036 119.942 119.950 -0.073 0.000 2.111 225 F HA -0.299 4.207 4.527 -0.036 0.000 0.300 225 F C 2.222 177.992 175.800 -0.049 0.000 1.088 225 F CA 0.714 58.692 58.000 -0.037 0.000 1.243 225 F CB -0.481 38.409 39.000 -0.183 0.000 0.996 225 F HN 0.244 nan 8.300 nan 0.000 0.483 226 G N -0.322 108.450 108.800 -0.047 0.000 2.453 226 G HA2 -0.247 3.691 3.960 -0.036 0.000 0.215 226 G HA3 -0.247 3.691 3.960 -0.036 0.000 0.215 226 G C 1.505 176.560 174.900 0.258 0.000 1.201 226 G CA 0.701 45.791 45.100 -0.016 0.000 0.784 226 G HN 0.366 nan 8.290 nan 0.000 0.545 227 F N 1.295 121.325 119.950 0.134 0.000 2.192 227 F HA -0.138 4.366 4.527 -0.037 0.000 0.301 227 F C 2.609 178.477 175.800 0.114 0.000 1.079 227 F CA 0.652 58.712 58.000 0.101 0.000 1.303 227 F CB -0.024 39.022 39.000 0.076 0.000 1.024 227 F HN 0.108 nan 8.300 nan 0.000 0.494 228 D N -0.134 120.492 120.400 0.377 0.000 2.084 228 D HA -0.232 4.387 4.640 -0.036 0.000 0.194 228 D C 1.848 178.281 176.300 0.222 0.000 0.990 228 D CA 1.316 55.509 54.000 0.321 0.000 0.826 228 D CB -1.002 40.090 40.800 0.487 0.000 0.971 228 D HN 0.258 nan 8.370 nan 0.000 0.453 229 Y N 1.592 121.980 120.300 0.147 0.000 2.069 229 Y HA -0.264 4.263 4.550 -0.038 0.000 0.278 229 Y C 2.141 178.036 175.900 -0.008 0.000 1.175 229 Y CA 1.412 59.547 58.100 0.058 0.000 1.134 229 Y CB -0.657 37.892 38.460 0.148 0.000 0.965 229 Y HN -0.106 nan 8.280 nan 0.000 0.498 230 L N 0.191 121.312 121.223 -0.170 0.000 2.217 230 L HA -0.098 4.220 4.340 -0.036 0.000 0.211 230 L C 2.486 179.171 176.870 -0.309 0.000 1.107 230 L CA 1.604 56.211 54.840 -0.390 0.000 0.783 230 L CB -0.871 41.111 42.059 -0.128 0.000 0.919 230 L HN 0.097 nan 8.230 nan 0.000 0.442 231 R N 0.858 121.293 120.500 -0.108 0.000 2.185 231 R HA -0.236 4.083 4.340 -0.036 0.000 0.247 231 R C 0.852 177.071 176.300 -0.134 0.000 1.159 231 R CA 1.261 57.317 56.100 -0.074 0.000 0.988 231 R CB -0.985 29.332 30.300 0.028 0.000 0.871 231 R HN 0.329 nan 8.270 nan 0.000 0.458 232 D N -0.262 120.014 120.400 -0.206 0.000 2.941 232 D HA 0.020 4.638 4.640 -0.036 0.000 0.236 232 D C -0.042 176.055 176.300 -0.340 0.000 1.147 232 D CA 0.055 53.938 54.000 -0.195 0.000 0.975 232 D CB -0.219 40.485 40.800 -0.160 0.000 1.162 232 D HN 0.260 nan 8.370 nan 0.000 0.444 233 N N -0.228 118.285 118.700 -0.312 0.000 3.419 233 N HA 0.050 4.768 4.740 -0.036 0.000 0.224 233 N C 0.406 175.831 175.510 -0.141 0.000 1.114 233 N CA -0.218 52.620 53.050 -0.352 0.000 1.144 233 N CB -0.380 37.825 38.487 -0.470 0.000 1.459 233 N HN 0.129 nan 8.380 nan 0.000 0.632 234 L N 2.922 124.087 121.223 -0.097 0.000 2.930 234 L HA 0.212 4.530 4.340 -0.036 0.000 0.250 234 L C -0.676 176.181 176.870 -0.021 0.000 1.320 234 L CA 0.152 54.967 54.840 -0.043 0.000 1.163 234 L CB -0.917 41.114 42.059 -0.046 0.000 1.542 234 L HN -0.044 nan 8.230 nan 0.000 0.428 235 V N 0.916 120.827 119.914 -0.005 0.000 2.153 235 V HA 0.000 4.098 4.120 -0.036 0.000 0.250 235 V C 1.823 177.963 176.094 0.077 0.000 1.334 235 V CA -0.374 61.949 62.300 0.038 0.000 1.249 235 V CB -0.004 31.857 31.823 0.062 0.000 1.371 235 V HN 0.339 nan 8.190 nan 0.000 0.498 236 L N 0.736 122.008 121.223 0.081 0.000 2.270 236 L HA -0.070 4.248 4.340 -0.036 0.000 0.217 236 L C 0.953 177.910 176.870 0.146 0.000 1.107 236 L CA 1.759 56.682 54.840 0.139 0.000 0.772 236 L CB -0.517 41.661 42.059 0.199 0.000 0.902 236 L HN 0.637 nan 8.230 nan 0.000 0.439 237 D N -2.255 118.222 120.400 0.129 0.000 2.408 237 D HA 0.035 4.654 4.640 -0.036 0.000 0.243 237 D C 0.306 176.710 176.300 0.173 0.000 1.075 237 D CA -0.421 53.660 54.000 0.134 0.000 0.832 237 D CB 1.677 42.536 40.800 0.100 0.000 1.162 237 D HN 0.073 nan 8.370 nan 0.000 0.515 238 Y N 3.813 124.138 120.300 0.041 0.000 2.561 238 Y HA -0.119 4.410 4.550 -0.035 0.000 0.291 238 Y C 1.967 177.887 175.900 0.034 0.000 1.141 238 Y CA 0.440 58.560 58.100 0.034 0.000 1.303 238 Y CB 0.348 38.829 38.460 0.035 0.000 1.015 238 Y HN 0.401 nan 8.280 nan 0.000 0.547 239 N N 1.437 120.131 118.700 -0.011 0.000 2.334 239 N HA -0.175 4.543 4.740 -0.036 0.000 0.187 239 N C -0.763 174.681 175.510 -0.109 0.000 1.016 239 N CA 1.131 54.126 53.050 -0.092 0.000 0.879 239 N CB -0.519 37.962 38.487 -0.010 0.000 0.965 239 N HN 0.372 nan 8.380 nan 0.000 0.438 240 D N 1.527 121.896 120.400 -0.052 0.000 2.359 240 D HA -0.004 4.614 4.640 -0.036 0.000 0.273 240 D C 0.619 176.877 176.300 -0.070 0.000 1.362 240 D CA 0.201 54.189 54.000 -0.019 0.000 1.010 240 D CB 0.403 41.223 40.800 0.034 0.000 1.090 240 D HN -0.041 nan 8.370 nan 0.000 0.521 241 K N 1.447 121.812 120.400 -0.059 0.000 2.743 241 K HA 0.006 4.304 4.320 -0.036 0.000 0.219 241 K C 0.041 176.642 176.600 0.001 0.000 1.003 241 K CA -0.039 56.212 56.287 -0.059 0.000 1.156 241 K CB -0.731 31.764 32.500 -0.009 0.000 0.932 241 K HN 0.347 nan 8.250 nan 0.000 0.490 242 V N 0.003 119.924 119.914 0.011 0.000 2.519 242 V HA -0.062 4.036 4.120 -0.036 0.000 0.258 242 V C 0.254 176.282 176.094 -0.109 0.000 0.989 242 V CA -0.106 62.207 62.300 0.023 0.000 1.170 242 V CB -1.470 30.373 31.823 0.034 0.000 1.066 242 V HN 0.653 nan 8.190 nan 0.000 0.469 243 Q N 1.986 121.584 119.800 -0.336 0.000 2.979 243 Q HA -0.178 4.140 4.340 -0.036 0.000 0.108 243 Q C -0.129 175.684 176.000 -0.312 0.000 1.574 243 Q CA 0.446 55.681 55.803 -0.947 0.000 0.387 243 Q CB -0.019 28.264 28.738 -0.759 0.000 0.612 243 Q HN 1.022 nan 8.270 nan 0.000 0.321 244 R N 3.033 123.434 120.500 -0.165 0.000 3.070 244 R HA 0.499 4.817 4.340 -0.036 0.000 0.252 244 R C -0.228 176.098 176.300 0.045 0.000 1.370 244 R CA 1.102 57.206 56.100 0.007 0.000 1.482 244 R CB 0.399 30.744 30.300 0.075 0.000 1.220 244 R HN 0.916 nan 8.270 nan 0.000 0.622 245 G N 3.701 112.532 108.800 0.051 0.000 3.137 245 G HA2 -0.219 3.719 3.960 -0.036 0.000 0.686 245 G HA3 -0.219 3.719 3.960 -0.036 0.000 0.686 245 G C -1.069 173.920 174.900 0.148 0.000 0.988 245 G CA -0.198 44.917 45.100 0.025 0.000 0.789 245 G HN 0.774 nan 8.290 nan 0.000 0.544 246 H N 1.699 120.766 119.070 -0.006 0.000 2.459 246 H HA 0.806 5.339 4.556 -0.038 0.000 0.332 246 H C 0.523 175.905 175.328 0.090 0.000 1.094 246 H CA -0.668 55.451 56.048 0.118 0.000 1.224 246 H CB 1.353 30.986 29.762 -0.216 0.000 1.449 246 H HN 1.159 nan 8.280 nan 0.000 0.484 247 F N 1.497 121.317 119.950 -0.216 0.000 1.845 247 F HA 0.247 4.752 4.527 -0.038 0.000 0.232 247 F C -1.087 174.741 175.800 0.046 0.000 1.266 247 F CA -0.906 57.004 58.000 -0.150 0.000 1.252 247 F CB 0.508 39.288 39.000 -0.366 0.000 2.023 247 F HN 0.387 nan 8.300 nan 0.000 0.126 248 Y N 2.765 122.272 120.300 -1.323 0.000 2.304 248 Y HA 0.672 5.199 4.550 -0.037 0.000 0.327 248 Y C -0.287 175.337 175.900 -0.460 0.000 1.209 248 Y CA -0.508 57.137 58.100 -0.758 0.000 1.299 248 Y CB 1.217 39.160 38.460 -0.861 0.000 1.249 248 Y HN 0.610 nan 8.280 nan 0.000 0.519 249 A N 6.334 128.618 122.820 -0.893 0.000 2.577 249 A HA 0.626 4.925 4.320 -0.036 0.000 0.297 249 A C -1.853 175.363 177.584 -0.613 0.000 1.060 249 A CA -0.701 51.040 52.037 -0.493 0.000 0.697 249 A CB 0.632 19.645 19.000 0.021 0.000 1.281 249 A HN 0.655 nan 8.150 nan 0.000 0.402 250 I N 1.851 122.222 120.570 -0.332 0.000 2.404 250 I HA 0.458 4.606 4.170 -0.036 0.000 0.293 250 I C -0.526 175.534 176.117 -0.095 0.000 0.992 250 I CA -1.147 60.023 61.300 -0.215 0.000 1.149 250 I CB 2.006 39.963 38.000 -0.071 0.000 1.315 250 I HN 0.315 nan 8.210 nan 0.000 0.446 251 V N 4.515 124.354 119.914 -0.126 0.000 2.364 251 V HA 0.126 4.224 4.120 -0.036 0.000 0.272 251 V C 0.165 176.243 176.094 -0.025 0.000 1.036 251 V CA -0.451 61.805 62.300 -0.072 0.000 0.880 251 V CB 1.126 32.864 31.823 -0.140 0.000 0.991 251 V HN 0.686 nan 8.190 nan 0.000 0.460 252 D N 4.821 125.228 120.400 0.011 0.000 2.374 252 D HA 0.156 4.774 4.640 -0.036 0.000 0.240 252 D C 0.425 176.708 176.300 -0.029 0.000 1.229 252 D CA 0.098 54.095 54.000 -0.005 0.000 0.895 252 D CB 0.395 41.195 40.800 -0.000 0.000 1.046 252 D HN 0.784 nan 8.370 nan 0.000 0.498 253 E N 1.843 122.023 120.200 -0.034 0.000 2.267 253 E HA -0.202 4.127 4.350 -0.036 0.000 0.237 253 E C 0.440 177.020 176.600 -0.033 0.000 1.170 253 E CA 0.593 56.969 56.400 -0.041 0.000 0.704 253 E CB -1.223 28.442 29.700 -0.058 0.000 1.234 253 E HN 0.519 nan 8.360 nan 0.000 0.397 254 A N 0.633 123.440 122.820 -0.022 0.000 2.178 254 A HA -0.172 4.127 4.320 -0.036 0.000 0.218 254 A C 1.511 179.101 177.584 0.011 0.000 1.157 254 A CA 1.472 53.497 52.037 -0.020 0.000 0.689 254 A CB -0.093 18.886 19.000 -0.036 0.000 0.787 254 A HN 0.430 nan 8.150 nan 0.000 0.465 255 D N -0.149 120.246 120.400 -0.008 0.000 2.354 255 D HA -0.067 4.552 4.640 -0.036 0.000 0.216 255 D C 1.801 178.066 176.300 -0.059 0.000 0.970 255 D CA 1.503 55.478 54.000 -0.042 0.000 0.905 255 D CB 0.050 40.811 40.800 -0.065 0.000 0.903 255 D HN 0.494 nan 8.370 nan 0.000 0.508 256 S N -1.101 114.567 115.700 -0.052 0.000 2.527 256 S HA 0.006 4.454 4.470 -0.036 0.000 0.227 256 S C 1.956 176.536 174.600 -0.034 0.000 1.059 256 S CA -0.278 57.884 58.200 -0.063 0.000 0.919 256 S CB 0.091 63.245 63.200 -0.077 0.000 0.805 256 S HN 0.100 nan 8.310 nan 0.000 0.500 257 V N 2.762 122.671 119.914 -0.010 0.000 2.511 257 V HA -0.210 3.888 4.120 -0.036 0.000 0.257 257 V C 2.014 178.144 176.094 0.061 0.000 1.088 257 V CA 2.027 64.357 62.300 0.050 0.000 1.098 257 V CB -0.396 31.428 31.823 0.003 0.000 0.674 257 V HN 0.515 nan 8.190 nan 0.000 0.470 258 L N -0.050 121.149 121.223 -0.040 0.000 2.130 258 L HA 0.128 4.446 4.340 -0.036 0.000 0.200 258 L C 2.064 178.829 176.870 -0.176 0.000 1.075 258 L CA 1.775 56.520 54.840 -0.157 0.000 0.768 258 L CB -0.646 41.330 42.059 -0.139 0.000 0.933 258 L HN 0.299 nan 8.230 nan 0.000 0.451 259 I N 0.512 121.023 120.570 -0.099 0.000 2.908 259 I HA -0.242 3.906 4.170 -0.036 0.000 0.271 259 I C 0.264 176.405 176.117 0.040 0.000 1.275 259 I CA 0.920 62.189 61.300 -0.053 0.000 1.446 259 I CB -1.042 36.921 38.000 -0.061 0.000 1.092 259 I HN 0.342 nan 8.210 nan 0.000 0.482 260 D N 1.740 122.176 120.400 0.060 0.000 2.977 260 D HA -0.037 4.582 4.640 -0.036 0.000 0.241 260 D C 1.526 177.986 176.300 0.267 0.000 1.206 260 D CA 0.048 54.184 54.000 0.226 0.000 0.902 260 D CB 0.102 41.021 40.800 0.198 0.000 1.131 260 D HN 0.226 nan 8.370 nan 0.000 0.447 261 E N 1.205 121.540 120.200 0.225 0.000 2.026 261 E HA -0.204 4.125 4.350 -0.036 0.000 0.206 261 E C 1.067 177.812 176.600 0.243 0.000 1.028 261 E CA 0.737 57.268 56.400 0.220 0.000 0.845 261 E CB -0.874 28.925 29.700 0.164 0.000 0.772 261 E HN 0.361 nan 8.360 nan 0.000 0.462 262 A N 3.599 126.523 122.820 0.173 0.000 2.600 262 A HA -0.096 4.203 4.320 -0.036 0.000 0.244 262 A C 0.733 178.418 177.584 0.168 0.000 1.016 262 A CA 0.521 52.618 52.037 0.100 0.000 0.778 262 A CB -0.501 18.395 19.000 -0.174 0.000 0.920 262 A HN 0.281 nan 8.150 nan 0.000 0.513 263 R N 1.915 122.512 120.500 0.161 0.000 2.861 263 R HA 0.202 4.520 4.340 -0.036 0.000 0.268 263 R C -0.758 175.627 176.300 0.141 0.000 1.027 263 R CA 0.355 56.545 56.100 0.150 0.000 1.163 263 R CB -0.260 30.107 30.300 0.112 0.000 1.060 263 R HN 0.456 nan 8.270 nan 0.000 0.483 264 T N 3.385 118.028 114.554 0.147 0.000 2.832 264 T HA 0.337 4.665 4.350 -0.036 0.000 0.313 264 T C -2.270 172.585 174.700 0.258 0.000 1.035 264 T CA -1.014 61.188 62.100 0.170 0.000 0.950 264 T CB 1.115 70.032 68.868 0.081 0.000 0.984 264 T HN 0.519 nan 8.240 nan 0.000 0.486 265 P HA 0.383 nan 4.420 nan 0.000 0.309 265 P C -1.150 176.202 177.300 0.087 0.000 1.452 265 P CA -0.869 62.326 63.100 0.159 0.000 1.053 265 P CB 1.757 33.434 31.700 -0.037 0.000 1.167 266 L N 6.151 127.370 121.223 -0.007 0.000 2.260 266 L HA 0.441 4.759 4.340 -0.036 0.000 0.289 266 L C -0.271 176.487 176.870 -0.188 0.000 1.057 266 L CA -0.627 54.028 54.840 -0.308 0.000 0.811 266 L CB -0.098 41.816 42.059 -0.242 0.000 1.184 266 L HN 0.345 nan 8.230 nan 0.000 0.429 267 I N 3.232 123.668 120.570 -0.224 0.000 2.509 267 I HA 0.591 4.740 4.170 -0.036 0.000 0.293 267 I C -0.200 175.835 176.117 -0.136 0.000 1.020 267 I CA -0.360 60.850 61.300 -0.150 0.000 1.088 267 I CB 1.964 39.882 38.000 -0.137 0.000 1.267 267 I HN 0.546 nan 8.210 nan 0.000 0.430 268 I N 2.340 122.849 120.570 -0.101 0.000 3.585 268 I HA 0.198 4.346 4.170 -0.036 0.000 0.267 268 I C 0.024 176.103 176.117 -0.063 0.000 1.059 268 I CA 0.712 61.962 61.300 -0.083 0.000 1.431 268 I CB 0.565 38.509 38.000 -0.094 0.000 1.925 268 I HN 0.529 nan 8.210 nan 0.000 0.370 269 S N 2.726 118.387 115.700 -0.064 0.000 2.465 269 S HA 0.575 5.024 4.470 -0.036 0.000 0.307 269 S C 0.343 174.911 174.600 -0.054 0.000 1.187 269 S CA 0.181 58.347 58.200 -0.056 0.000 1.141 269 S CB -0.404 62.762 63.200 -0.056 0.000 1.108 269 S HN 0.566 nan 8.310 nan 0.000 0.525 270 G N 3.978 112.749 108.800 -0.048 0.000 3.205 270 G HA2 0.470 4.408 3.960 -0.036 0.000 0.343 270 G HA3 0.470 4.408 3.960 -0.036 0.000 0.343 270 G C -2.947 171.929 174.900 -0.041 0.000 1.305 270 G CA -1.663 43.410 45.100 -0.045 0.000 1.120 270 G HN 0.316 nan 8.290 nan 0.000 0.472 271 P HA 0.147 nan 4.420 nan 0.000 0.241 271 P C 0.243 177.527 177.300 -0.027 0.000 1.760 271 P CA -0.024 63.057 63.100 -0.032 0.000 1.081 271 P CB 0.425 32.108 31.700 -0.030 0.000 1.975 272 S N 2.189 117.872 115.700 -0.029 0.000 2.481 272 S HA 0.037 4.485 4.470 -0.036 0.000 0.282 272 S C 1.368 175.960 174.600 -0.013 0.000 1.243 272 S CA -0.100 58.086 58.200 -0.024 0.000 1.078 272 S CB 0.521 63.700 63.200 -0.036 0.000 0.916 272 S HN 0.337 nan 8.310 nan 0.000 0.495 273 K N 2.148 122.545 120.400 -0.005 0.000 2.379 273 K HA -0.002 4.297 4.320 -0.036 0.000 0.194 273 K C 0.270 176.877 176.600 0.011 0.000 1.031 273 K CA 0.526 56.815 56.287 0.002 0.000 1.037 273 K CB 0.238 32.741 32.500 0.004 0.000 0.824 273 K HN 0.614 nan 8.250 nan 0.000 0.516 274 E N -0.842 119.367 120.200 0.015 0.000 2.989 274 E HA 0.171 4.499 4.350 -0.036 0.000 0.207 274 E C 0.302 176.918 176.600 0.027 0.000 0.989 274 E CA -0.323 56.097 56.400 0.033 0.000 1.186 274 E CB 1.036 30.769 29.700 0.056 0.000 1.141 274 E HN -0.048 nan 8.360 nan 0.000 0.454 275 S N 2.060 117.766 115.700 0.010 0.000 2.345 275 S HA -0.074 4.375 4.470 -0.036 0.000 0.220 275 S C -0.450 174.181 174.600 0.052 0.000 1.031 275 S CA 1.221 59.422 58.200 0.003 0.000 0.996 275 S CB -1.083 62.116 63.200 -0.002 0.000 0.882 275 S HN 0.451 nan 8.310 nan 0.000 0.445 276 P HA -0.090 nan 4.420 nan 0.000 0.216 276 P C 1.651 179.015 177.300 0.106 0.000 1.150 276 P CA 1.310 64.450 63.100 0.068 0.000 0.837 276 P CB -0.117 31.589 31.700 0.010 0.000 0.786 277 S N -0.176 115.579 115.700 0.092 0.000 2.344 277 S HA -0.125 4.324 4.470 -0.036 0.000 0.217 277 S C 2.112 176.826 174.600 0.190 0.000 1.033 277 S CA 1.749 60.023 58.200 0.123 0.000 1.017 277 S CB -1.268 61.999 63.200 0.112 0.000 0.941 277 S HN -0.093 nan 8.310 nan 0.000 0.430 278 V N 1.172 121.177 119.914 0.152 0.000 2.277 278 V HA -0.260 3.839 4.120 -0.036 0.000 0.253 278 V C 1.976 178.154 176.094 0.139 0.000 1.067 278 V CA 2.521 64.874 62.300 0.089 0.000 1.047 278 V CB -1.101 30.522 31.823 -0.334 0.000 0.649 278 V HN 0.650 nan 8.190 nan 0.000 0.447 279 Y N 0.636 120.930 120.300 -0.010 0.000 1.974 279 Y HA -0.406 4.122 4.550 -0.036 0.000 0.255 279 Y C 2.914 178.861 175.900 0.080 0.000 1.125 279 Y CA 2.628 60.733 58.100 0.009 0.000 1.085 279 Y CB -0.235 38.221 38.460 -0.006 0.000 0.957 279 Y HN 0.039 nan 8.280 nan 0.000 0.484 280 R N 0.429 121.180 120.500 0.419 0.000 2.083 280 R HA -0.209 4.109 4.340 -0.036 0.000 0.237 280 R C 2.602 179.038 176.300 0.226 0.000 1.137 280 R CA 1.871 58.133 56.100 0.269 0.000 0.951 280 R CB -0.469 29.916 30.300 0.140 0.000 0.851 280 R HN 0.375 nan 8.270 nan 0.000 0.434 281 R N -0.358 120.285 120.500 0.238 0.000 2.132 281 R HA -0.222 4.097 4.340 -0.036 0.000 0.233 281 R C 2.004 178.459 176.300 0.258 0.000 1.125 281 R CA 2.394 58.634 56.100 0.233 0.000 0.914 281 R CB -0.714 29.766 30.300 0.299 0.000 0.845 281 R HN 0.247 nan 8.270 nan 0.000 0.431 282 F N 0.941 120.939 119.950 0.081 0.000 2.236 282 F HA -0.171 4.334 4.527 -0.037 0.000 0.302 282 F C 2.544 178.365 175.800 0.036 0.000 1.073 282 F CA 1.206 59.236 58.000 0.050 0.000 1.336 282 F CB -0.832 38.172 39.000 0.008 0.000 1.040 282 F HN 0.304 nan 8.300 nan 0.000 0.507 283 A N -0.474 122.474 122.820 0.214 0.000 1.851 283 A HA -0.290 4.008 4.320 -0.036 0.000 0.216 283 A C 2.235 179.876 177.584 0.095 0.000 1.195 283 A CA 1.872 53.986 52.037 0.129 0.000 0.622 283 A CB -1.049 18.036 19.000 0.142 0.000 0.831 283 A HN 0.430 nan 8.150 nan 0.000 0.444 284 Q N -0.283 119.577 119.800 0.100 0.000 2.061 284 Q HA -0.194 4.124 4.340 -0.036 0.000 0.204 284 Q C 2.005 178.053 176.000 0.079 0.000 0.984 284 Q CA 1.899 57.748 55.803 0.078 0.000 0.846 284 Q CB -0.342 28.438 28.738 0.069 0.000 0.902 284 Q HN 0.722 nan 8.270 nan 0.000 0.421 285 I N 0.715 121.335 120.570 0.084 0.000 2.064 285 I HA -0.403 3.746 4.170 -0.036 0.000 0.234 285 I C 2.507 178.593 176.117 -0.053 0.000 1.019 285 I CA 1.382 62.707 61.300 0.042 0.000 1.301 285 I CB -0.929 36.955 38.000 -0.192 0.000 1.017 285 I HN 0.354 nan 8.210 nan 0.000 0.392 286 A N 0.719 123.503 122.820 -0.060 0.000 1.909 286 A HA -0.304 3.994 4.320 -0.036 0.000 0.221 286 A C 2.259 179.849 177.584 0.009 0.000 1.223 286 A CA 2.287 54.300 52.037 -0.041 0.000 0.658 286 A CB -0.692 18.301 19.000 -0.012 0.000 0.831 286 A HN 0.351 nan 8.150 nan 0.000 0.462 287 K N -0.192 120.223 120.400 0.025 0.000 2.160 287 K HA -0.149 4.149 4.320 -0.036 0.000 0.206 287 K C 1.926 178.547 176.600 0.035 0.000 1.047 287 K CA 1.360 57.668 56.287 0.034 0.000 0.930 287 K CB -0.315 32.206 32.500 0.035 0.000 0.720 287 K HN 0.499 nan 8.250 nan 0.000 0.450 288 K N 0.335 120.757 120.400 0.037 0.000 1.978 288 K HA -0.154 4.144 4.320 -0.036 0.000 0.214 288 K C 2.126 178.725 176.600 -0.001 0.000 1.049 288 K CA 1.216 57.519 56.287 0.027 0.000 0.939 288 K CB -0.924 31.613 32.500 0.062 0.000 0.721 288 K HN 0.126 nan 8.250 nan 0.000 0.441 289 F N 2.232 122.128 119.950 -0.090 0.000 2.202 289 F HA -0.192 4.313 4.527 -0.036 0.000 0.301 289 F C 2.117 177.911 175.800 -0.009 0.000 1.082 289 F CA 0.708 58.669 58.000 -0.063 0.000 1.313 289 F CB -0.149 38.791 39.000 -0.100 0.000 1.024 289 F HN -0.250 nan 8.300 nan 0.000 0.495 290 V N 0.247 120.257 119.914 0.160 0.000 2.324 290 V HA -0.383 3.716 4.120 -0.036 0.000 0.250 290 V C 2.394 178.496 176.094 0.014 0.000 1.060 290 V CA 2.297 64.668 62.300 0.118 0.000 1.042 290 V CB -0.826 31.039 31.823 0.070 0.000 0.650 290 V HN 0.225 nan 8.190 nan 0.000 0.450 291 K N 0.264 120.638 120.400 -0.042 0.000 2.211 291 K HA -0.132 4.166 4.320 -0.036 0.000 0.204 291 K C 0.529 177.043 176.600 -0.144 0.000 1.047 291 K CA 1.133 57.375 56.287 -0.076 0.000 0.935 291 K CB -0.289 32.169 32.500 -0.070 0.000 0.728 291 K HN 0.593 nan 8.250 nan 0.000 0.452 292 D N -0.163 120.058 120.400 -0.299 0.000 2.181 292 D HA 0.206 4.824 4.640 -0.036 0.000 0.248 292 D C -0.439 175.701 176.300 -0.267 0.000 1.020 292 D CA -0.468 53.310 54.000 -0.370 0.000 0.891 292 D CB 1.174 41.611 40.800 -0.604 0.000 1.187 292 D HN -0.059 nan 8.370 nan 0.000 0.443 293 K N 0.909 121.242 120.400 -0.112 0.000 2.244 293 K HA -0.026 4.272 4.320 -0.036 0.000 0.242 293 K C 1.152 177.806 176.600 0.090 0.000 1.082 293 K CA -0.194 56.110 56.287 0.029 0.000 0.841 293 K CB 0.281 32.845 32.500 0.106 0.000 1.129 293 K HN 0.549 nan 8.250 nan 0.000 0.516 294 D N 0.697 121.170 120.400 0.122 0.000 2.088 294 D HA -0.182 4.437 4.640 -0.036 0.000 0.191 294 D C 0.027 176.346 176.300 0.032 0.000 0.992 294 D CA 1.134 55.140 54.000 0.009 0.000 0.831 294 D CB -0.128 40.602 40.800 -0.118 0.000 0.973 294 D HN 0.248 nan 8.370 nan 0.000 0.447 295 F N 0.546 120.489 119.950 -0.012 0.000 2.374 295 F HA -0.045 4.460 4.527 -0.036 0.000 0.405 295 F C 1.240 177.055 175.800 0.026 0.000 0.976 295 F CA 0.962 58.961 58.000 -0.001 0.000 1.037 295 F CB -0.011 38.981 39.000 -0.013 0.000 0.888 295 F HN -0.037 nan 8.300 nan 0.000 0.519 296 T N -0.389 114.255 114.554 0.150 0.000 3.852 296 T HA 0.061 4.390 4.350 -0.036 0.000 0.302 296 T C -0.461 174.294 174.700 0.091 0.000 0.887 296 T CA 0.006 62.210 62.100 0.173 0.000 0.826 296 T CB -0.816 68.262 68.868 0.349 0.000 1.185 296 T HN 0.774 nan 8.240 nan 0.000 0.787 297 V N 1.004 120.939 119.914 0.036 0.000 5.008 297 V HA -0.138 3.960 4.120 -0.036 0.000 0.396 297 V C -1.585 174.506 176.094 -0.005 0.000 0.688 297 V CA 0.202 62.505 62.300 0.004 0.000 1.527 297 V CB -1.415 30.425 31.823 0.028 0.000 1.817 297 V HN 0.542 nan 8.190 nan 0.000 0.473 298 D N 4.140 124.520 120.400 -0.035 0.000 2.389 298 D HA 0.794 5.413 4.640 -0.036 0.000 0.256 298 D C -0.172 176.106 176.300 -0.037 0.000 1.239 298 D CA -0.166 53.809 54.000 -0.041 0.000 0.925 298 D CB 1.509 42.269 40.800 -0.067 0.000 1.145 298 D HN 0.916 nan 8.370 nan 0.000 0.542 299 E N 0.235 120.428 120.200 -0.012 0.000 2.425 299 E HA 0.343 4.671 4.350 -0.036 0.000 0.272 299 E C -0.147 176.488 176.600 0.059 0.000 1.061 299 E CA -1.031 55.376 56.400 0.011 0.000 0.877 299 E CB 1.361 31.074 29.700 0.021 0.000 1.590 299 E HN 0.053 nan 8.360 nan 0.000 0.462 300 K N -1.275 119.206 120.400 0.136 0.000 3.186 300 K HA -0.275 4.023 4.320 -0.036 0.000 0.302 300 K C -0.473 176.256 176.600 0.216 0.000 1.160 300 K CA 1.339 57.799 56.287 0.289 0.000 0.911 300 K CB -1.032 31.602 32.500 0.224 0.000 1.228 300 K HN 0.490 nan 8.250 nan 0.000 0.430 301 A N -0.065 122.818 122.820 0.105 0.000 2.571 301 A HA 0.440 4.739 4.320 -0.036 0.000 0.296 301 A C -1.133 176.444 177.584 -0.011 0.000 1.005 301 A CA -0.968 51.105 52.037 0.060 0.000 0.682 301 A CB 0.896 19.929 19.000 0.055 0.000 1.292 301 A HN 0.076 nan 8.150 nan 0.000 0.420 302 R N 1.760 122.224 120.500 -0.060 0.000 4.556 302 R HA 0.287 4.605 4.340 -0.036 0.000 0.197 302 R C -0.199 176.040 176.300 -0.102 0.000 1.791 302 R CA 0.594 56.611 56.100 -0.138 0.000 1.526 302 R CB -1.355 28.781 30.300 -0.274 0.000 1.410 302 R HN 0.864 nan 8.270 nan 0.000 0.826 303 T N -1.972 112.546 114.554 -0.059 0.000 2.921 303 T HA 0.779 5.107 4.350 -0.036 0.000 0.297 303 T C -0.128 174.554 174.700 -0.030 0.000 1.013 303 T CA -0.749 61.329 62.100 -0.037 0.000 0.990 303 T CB 1.551 70.414 68.868 -0.008 0.000 1.023 303 T HN 0.077 nan 8.240 nan 0.000 0.447 304 I N 2.210 122.762 120.570 -0.030 0.000 2.918 304 I HA 0.830 4.978 4.170 -0.036 0.000 0.301 304 I C -1.353 174.767 176.117 0.004 0.000 1.312 304 I CA -0.869 60.421 61.300 -0.017 0.000 1.007 304 I CB 2.358 40.332 38.000 -0.043 0.000 1.281 304 I HN 0.881 nan 8.210 nan 0.000 0.440 305 I N 3.997 124.587 120.570 0.033 0.000 2.882 305 I HA 0.664 4.812 4.170 -0.036 0.000 0.298 305 I C -2.415 173.746 176.117 0.075 0.000 1.462 305 I CA -0.507 60.823 61.300 0.050 0.000 1.000 305 I CB 2.078 40.104 38.000 0.045 0.000 1.340 305 I HN 0.517 nan 8.210 nan 0.000 0.462 306 L N 5.501 126.772 121.223 0.080 0.000 2.362 306 L HA 0.782 5.100 4.340 -0.036 0.000 0.271 306 L C 0.584 177.489 176.870 0.058 0.000 1.002 306 L CA 0.410 55.301 54.840 0.086 0.000 0.818 306 L CB 1.785 43.909 42.059 0.108 0.000 1.298 306 L HN 0.940 nan 8.230 nan 0.000 0.420 307 T N 0.143 114.735 114.554 0.064 0.000 5.978 307 T HA 0.023 4.351 4.350 -0.036 0.000 0.355 307 T C 1.146 175.861 174.700 0.026 0.000 0.861 307 T CA 0.918 63.048 62.100 0.049 0.000 1.159 307 T CB -0.469 68.431 68.868 0.053 0.000 1.192 307 T HN 0.761 nan 8.240 nan 0.000 0.306 308 E N 1.657 121.864 120.200 0.011 0.000 2.054 308 E HA -0.354 3.974 4.350 -0.036 0.000 0.225 308 E C 2.153 178.736 176.600 -0.028 0.000 1.048 308 E CA 2.320 58.712 56.400 -0.013 0.000 0.899 308 E CB -0.458 29.219 29.700 -0.038 0.000 0.801 308 E HN 0.845 nan 8.360 nan 0.000 0.495 309 E N -0.375 119.795 120.200 -0.050 0.000 2.273 309 E HA -0.168 4.160 4.350 -0.036 0.000 0.198 309 E C 1.963 178.525 176.600 -0.063 0.000 1.002 309 E CA 0.988 57.347 56.400 -0.068 0.000 0.828 309 E CB -0.433 29.214 29.700 -0.088 0.000 0.747 309 E HN 0.431 nan 8.360 nan 0.000 0.491 310 G N 1.875 110.655 108.800 -0.034 0.000 2.505 310 G HA2 -0.224 3.715 3.960 -0.036 0.000 0.214 310 G HA3 -0.224 3.715 3.960 -0.036 0.000 0.214 310 G C 1.763 176.636 174.900 -0.045 0.000 1.237 310 G CA 1.195 46.273 45.100 -0.037 0.000 0.802 310 G HN 0.206 nan 8.290 nan 0.000 0.549 311 V N 2.051 121.956 119.914 -0.016 0.000 2.324 311 V HA -0.204 3.895 4.120 -0.036 0.000 0.250 311 V C 3.332 179.421 176.094 -0.008 0.000 1.060 311 V CA 2.150 64.452 62.300 0.003 0.000 1.042 311 V CB -1.327 30.523 31.823 0.045 0.000 0.650 311 V HN 0.504 nan 8.190 nan 0.000 0.450 312 A N 0.380 123.188 122.820 -0.020 0.000 1.859 312 A HA -0.338 3.960 4.320 -0.036 0.000 0.217 312 A C 2.377 179.938 177.584 -0.038 0.000 1.198 312 A CA 2.632 54.652 52.037 -0.028 0.000 0.629 312 A CB -0.658 18.316 19.000 -0.042 0.000 0.830 312 A HN 0.565 nan 8.150 nan 0.000 0.446 313 K N -0.424 119.940 120.400 -0.061 0.000 2.032 313 K HA -0.152 4.146 4.320 -0.036 0.000 0.209 313 K C 2.162 178.733 176.600 -0.048 0.000 1.048 313 K CA 1.540 57.783 56.287 -0.073 0.000 0.927 313 K CB -0.442 31.983 32.500 -0.125 0.000 0.712 313 K HN 0.368 nan 8.250 nan 0.000 0.441 314 A N 1.157 123.946 122.820 -0.051 0.000 1.903 314 A HA -0.259 4.039 4.320 -0.036 0.000 0.219 314 A C 1.913 179.493 177.584 -0.006 0.000 1.191 314 A CA 2.306 54.318 52.037 -0.042 0.000 0.638 314 A CB -0.658 18.285 19.000 -0.095 0.000 0.823 314 A HN 0.505 nan 8.150 nan 0.000 0.451 315 E N -0.538 119.662 120.200 0.001 0.000 2.158 315 E HA -0.016 4.313 4.350 -0.036 0.000 0.191 315 E C 1.914 178.514 176.600 -0.000 0.000 0.982 315 E CA 0.994 57.401 56.400 0.012 0.000 0.823 315 E CB -0.144 29.566 29.700 0.017 0.000 0.766 315 E HN 0.622 nan 8.360 nan 0.000 0.468 316 K N 0.223 120.615 120.400 -0.012 0.000 2.360 316 K HA -0.040 4.258 4.320 -0.036 0.000 0.201 316 K C 0.508 177.101 176.600 -0.012 0.000 1.046 316 K CA 0.771 57.047 56.287 -0.018 0.000 0.940 316 K CB -0.257 32.223 32.500 -0.033 0.000 0.748 316 K HN 0.272 nan 8.250 nan 0.000 0.465 317 I N -2.455 118.112 120.570 -0.005 0.000 2.769 317 I HA 0.255 4.403 4.170 -0.036 0.000 0.298 317 I C -0.045 176.074 176.117 0.002 0.000 1.128 317 I CA -1.587 59.714 61.300 0.002 0.000 1.031 317 I CB 1.600 39.608 38.000 0.013 0.000 1.235 317 I HN -0.001 nan 8.210 nan 0.000 0.423 318 I N 1.614 122.180 120.570 -0.007 0.000 2.732 318 I HA -0.013 4.135 4.170 -0.036 0.000 0.126 318 I C 0.316 176.422 176.117 -0.018 0.000 0.882 318 I CA 1.167 62.454 61.300 -0.022 0.000 2.786 318 I CB -1.863 36.105 38.000 -0.053 0.000 0.554 318 I HN 1.155 nan 8.210 nan 0.000 0.352 319 G N 3.382 112.181 108.800 -0.001 0.000 2.927 319 G HA2 0.221 4.159 3.960 -0.036 0.000 0.233 319 G HA3 0.221 4.159 3.960 -0.036 0.000 0.233 319 G C -0.223 174.690 174.900 0.022 0.000 3.757 319 G CA -0.315 44.793 45.100 0.013 0.000 0.546 319 G HN 0.443 nan 8.290 nan 0.000 0.384 320 V N 0.349 120.274 119.914 0.018 0.000 3.444 320 V HA 0.028 4.126 4.120 -0.036 0.000 0.271 320 V C 1.412 177.524 176.094 0.029 0.000 1.188 320 V CA 1.511 63.822 62.300 0.019 0.000 1.168 320 V CB -0.341 31.489 31.823 0.012 0.000 0.810 320 V HN 0.709 nan 8.190 nan 0.000 0.500 321 E N 1.480 121.704 120.200 0.040 0.000 2.166 321 E HA 0.044 4.372 4.350 -0.036 0.000 0.279 321 E C 0.792 177.440 176.600 0.081 0.000 1.095 321 E CA -0.251 56.181 56.400 0.054 0.000 0.888 321 E CB 0.386 30.122 29.700 0.060 0.000 1.041 321 E HN 0.380 nan 8.360 nan 0.000 0.414 322 N N 4.526 123.267 118.700 0.067 0.000 2.051 322 N HA -0.126 4.592 4.740 -0.036 0.000 0.192 322 N C 1.014 176.596 175.510 0.120 0.000 1.049 322 N CA 0.954 54.056 53.050 0.086 0.000 0.845 322 N CB -0.411 38.108 38.487 0.052 0.000 1.031 322 N HN 0.551 nan 8.380 nan 0.000 0.425 323 L N 1.246 122.498 121.223 0.049 0.000 2.505 323 L HA 0.153 4.471 4.340 -0.036 0.000 0.275 323 L C 1.247 178.104 176.870 -0.021 0.000 1.264 323 L CA -0.497 54.329 54.840 -0.024 0.000 1.148 323 L CB -0.709 41.324 42.059 -0.043 0.000 1.377 323 L HN 0.173 nan 8.230 nan 0.000 0.442 324 Y N -0.512 119.799 120.300 0.018 0.000 2.314 324 Y HA -0.115 4.413 4.550 -0.037 0.000 0.293 324 Y C 1.911 177.825 175.900 0.024 0.000 1.129 324 Y CA 1.048 59.162 58.100 0.023 0.000 1.201 324 Y CB -0.550 37.929 38.460 0.032 0.000 0.999 324 Y HN 0.552 nan 8.280 nan 0.000 0.541 325 D N 1.699 121.679 120.400 -0.699 0.000 2.133 325 D HA -0.142 4.476 4.640 -0.036 0.000 0.192 325 D C -1.389 174.831 176.300 -0.133 0.000 1.001 325 D CA 0.862 54.607 54.000 -0.425 0.000 0.844 325 D CB -1.459 39.035 40.800 -0.509 0.000 0.944 325 D HN 0.252 nan 8.370 nan 0.000 0.447 326 P HA 0.034 nan 4.420 nan 0.000 0.140 326 P C 0.395 177.686 177.300 -0.015 0.000 0.817 326 P CA 1.091 64.161 63.100 -0.050 0.000 1.248 326 P CB -0.687 30.991 31.700 -0.037 0.000 1.542 327 G N 2.333 111.126 108.800 -0.012 0.000 2.380 327 G HA2 -0.360 3.578 3.960 -0.036 0.000 0.298 327 G HA3 -0.360 3.578 3.960 -0.036 0.000 0.298 327 G C 0.718 175.634 174.900 0.026 0.000 0.989 327 G CA 0.471 45.575 45.100 0.006 0.000 0.836 327 G HN 0.597 nan 8.290 nan 0.000 0.511 328 N N -1.314 117.414 118.700 0.046 0.000 2.235 328 N HA 0.271 4.989 4.740 -0.036 0.000 0.231 328 N C 1.722 177.319 175.510 0.145 0.000 1.177 328 N CA 0.248 53.346 53.050 0.080 0.000 0.874 328 N CB 0.402 38.937 38.487 0.079 0.000 1.097 328 N HN 0.190 nan 8.380 nan 0.000 0.518 329 V N 0.622 120.627 119.914 0.152 0.000 3.141 329 V HA -0.146 3.952 4.120 -0.036 0.000 0.265 329 V C 2.109 178.318 176.094 0.191 0.000 1.126 329 V CA 1.854 64.286 62.300 0.221 0.000 1.141 329 V CB -0.475 31.462 31.823 0.190 0.000 0.743 329 V HN 0.483 nan 8.190 nan 0.000 0.492 330 S N 0.336 116.116 115.700 0.133 0.000 2.374 330 S HA -0.250 4.198 4.470 -0.036 0.000 0.227 330 S C 1.795 176.543 174.600 0.246 0.000 1.037 330 S CA 2.029 60.309 58.200 0.133 0.000 1.024 330 S CB -0.649 62.590 63.200 0.064 0.000 0.861 330 S HN 0.478 nan 8.310 nan 0.000 0.456 331 L N 0.958 122.282 121.223 0.168 0.000 2.044 331 L HA 0.112 4.431 4.340 -0.036 0.000 0.205 331 L C 2.649 179.677 176.870 0.263 0.000 1.075 331 L CA 1.057 55.969 54.840 0.120 0.000 0.747 331 L CB -0.992 41.072 42.059 0.009 0.000 0.903 331 L HN 0.272 nan 8.230 nan 0.000 0.435 332 L N -0.724 120.616 121.223 0.194 0.000 2.129 332 L HA -0.297 4.022 4.340 -0.036 0.000 0.212 332 L C 2.624 179.560 176.870 0.109 0.000 1.087 332 L CA 2.038 56.936 54.840 0.097 0.000 0.757 332 L CB -0.857 41.187 42.059 -0.026 0.000 0.896 332 L HN 0.455 nan 8.230 nan 0.000 0.434 333 Y N 0.943 121.283 120.300 0.068 0.000 2.114 333 Y HA -0.353 4.175 4.550 -0.036 0.000 0.282 333 Y C 2.985 178.880 175.900 -0.009 0.000 1.165 333 Y CA 2.366 60.485 58.100 0.032 0.000 1.148 333 Y CB -0.769 37.722 38.460 0.051 0.000 0.972 333 Y HN 0.524 nan 8.280 nan 0.000 0.504 334 H N 0.581 119.428 119.070 -0.371 0.000 2.319 334 H HA -0.256 4.278 4.556 -0.036 0.000 0.297 334 H C 2.240 177.309 175.328 -0.433 0.000 1.097 334 H CA 2.118 57.830 56.048 -0.559 0.000 1.285 334 H CB -1.008 28.574 29.762 -0.300 0.000 1.368 334 H HN 0.583 nan 8.280 nan 0.000 0.495 335 L N 0.545 121.177 121.223 -0.985 0.000 1.961 335 L HA -0.151 4.168 4.340 -0.036 0.000 0.210 335 L C 2.905 179.540 176.870 -0.392 0.000 1.072 335 L CA 1.740 56.119 54.840 -0.769 0.000 0.749 335 L CB -0.385 41.464 42.059 -0.351 0.000 0.889 335 L HN 0.210 nan 8.230 nan 0.000 0.432 336 I N 0.257 120.664 120.570 -0.272 0.000 2.185 336 I HA -0.397 3.752 4.170 -0.036 0.000 0.246 336 I C 2.229 178.175 176.117 -0.286 0.000 1.088 336 I CA 1.312 62.489 61.300 -0.205 0.000 1.347 336 I CB -0.923 37.004 38.000 -0.122 0.000 1.041 336 I HN 0.439 nan 8.210 nan 0.000 0.415 337 N N 1.505 119.962 118.700 -0.405 0.000 2.003 337 N HA -0.242 4.476 4.740 -0.036 0.000 0.198 337 N C 2.003 177.315 175.510 -0.329 0.000 1.073 337 N CA 2.048 54.863 53.050 -0.391 0.000 0.875 337 N CB -0.818 37.313 38.487 -0.593 0.000 1.074 337 N HN 0.408 nan 8.380 nan 0.000 0.435 338 A N 2.071 124.667 122.820 -0.374 0.000 1.881 338 A HA -0.227 4.071 4.320 -0.036 0.000 0.219 338 A C 2.379 179.711 177.584 -0.420 0.000 1.215 338 A CA 2.138 53.990 52.037 -0.310 0.000 0.648 338 A CB -1.315 17.524 19.000 -0.268 0.000 0.832 338 A HN 0.459 nan 8.150 nan 0.000 0.455 339 L N -0.691 120.231 121.223 -0.501 0.000 2.017 339 L HA -0.370 3.948 4.340 -0.036 0.000 0.234 339 L C 2.510 178.975 176.870 -0.677 0.000 1.097 339 L CA 2.866 57.153 54.840 -0.921 0.000 0.816 339 L CB -0.427 41.309 42.059 -0.538 0.000 0.914 339 L HN 0.446 nan 8.230 nan 0.000 0.444 340 K N -0.543 119.619 120.400 -0.397 0.000 2.063 340 K HA -0.191 4.107 4.320 -0.036 0.000 0.208 340 K C 2.038 178.479 176.600 -0.265 0.000 1.048 340 K CA 1.331 57.450 56.287 -0.279 0.000 0.928 340 K CB -0.368 32.007 32.500 -0.208 0.000 0.713 340 K HN 0.623 nan 8.250 nan 0.000 0.442 341 A N 2.017 124.688 122.820 -0.248 0.000 1.849 341 A HA -0.217 4.081 4.320 -0.036 0.000 0.216 341 A C 2.051 179.508 177.584 -0.212 0.000 1.225 341 A CA 1.885 53.827 52.037 -0.159 0.000 0.653 341 A CB -1.216 17.711 19.000 -0.121 0.000 0.844 341 A HN 0.291 nan 8.150 nan 0.000 0.453 342 L N -1.517 119.481 121.223 -0.375 0.000 2.357 342 L HA -0.250 4.068 4.340 -0.036 0.000 0.220 342 L C 2.117 178.695 176.870 -0.487 0.000 1.123 342 L CA 1.570 56.129 54.840 -0.468 0.000 0.782 342 L CB -1.052 40.612 42.059 -0.659 0.000 0.910 342 L HN 0.567 nan 8.230 nan 0.000 0.442 343 H N -0.861 118.116 119.070 -0.154 0.000 2.179 343 H HA 0.105 4.639 4.556 -0.036 0.000 0.246 343 H C 2.112 177.378 175.328 -0.103 0.000 0.904 343 H CA 0.611 56.582 56.048 -0.129 0.000 1.113 343 H CB -0.511 29.134 29.762 -0.195 0.000 1.396 343 H HN 0.222 nan 8.280 nan 0.000 0.484 344 L N -0.294 120.895 121.223 -0.057 0.000 2.137 344 L HA -0.048 4.270 4.340 -0.036 0.000 0.213 344 L C 0.010 176.783 176.870 -0.161 0.000 1.085 344 L CA 1.810 56.530 54.840 -0.199 0.000 0.760 344 L CB -0.337 41.494 42.059 -0.381 0.000 0.893 344 L HN -0.011 nan 8.230 nan 0.000 0.434 345 F N 1.119 121.050 119.950 -0.031 0.000 2.646 345 F HA 0.348 4.853 4.527 -0.037 0.000 0.364 345 F C 0.130 175.919 175.800 -0.019 0.000 1.137 345 F CA -1.294 56.691 58.000 -0.025 0.000 1.085 345 F CB 1.109 40.093 39.000 -0.028 0.000 1.331 345 F HN -0.137 nan 8.300 nan 0.000 0.472 346 K N 3.795 124.315 120.400 0.199 0.000 2.504 346 K HA -0.103 4.195 4.320 -0.036 0.000 0.278 346 K C 1.199 177.848 176.600 0.080 0.000 1.025 346 K CA 0.184 56.534 56.287 0.105 0.000 1.093 346 K CB 0.728 33.273 32.500 0.076 0.000 0.873 346 K HN 0.685 nan 8.250 nan 0.000 0.483 347 K N 1.977 122.411 120.400 0.057 0.000 2.362 347 K HA -0.217 4.082 4.320 -0.036 0.000 0.202 347 K C 0.817 177.454 176.600 0.061 0.000 1.045 347 K CA 2.066 58.374 56.287 0.034 0.000 0.936 347 K CB 0.053 32.553 32.500 -0.000 0.000 0.747 347 K HN 0.586 nan 8.250 nan 0.000 0.467 348 D N 0.141 120.602 120.400 0.101 0.000 2.336 348 D HA -0.001 4.617 4.640 -0.036 0.000 0.229 348 D C 0.558 176.950 176.300 0.154 0.000 1.061 348 D CA 0.180 54.312 54.000 0.220 0.000 0.875 348 D CB 0.494 41.391 40.800 0.163 0.000 0.904 348 D HN 0.127 nan 8.370 nan 0.000 0.525 349 V N -0.394 119.553 119.914 0.054 0.000 3.604 349 V HA 0.171 4.269 4.120 -0.036 0.000 0.277 349 V C -0.042 176.002 176.094 -0.084 0.000 1.399 349 V CA 0.050 62.319 62.300 -0.050 0.000 1.034 349 V CB 0.577 32.330 31.823 -0.117 0.000 0.824 349 V HN 0.121 nan 8.190 nan 0.000 0.439 350 D N -0.056 120.330 120.400 -0.023 0.000 2.886 350 D HA 0.235 4.854 4.640 -0.036 0.000 0.355 350 D C -0.264 176.071 176.300 0.058 0.000 1.274 350 D CA -0.317 53.663 54.000 -0.033 0.000 0.836 350 D CB 0.816 41.578 40.800 -0.063 0.000 1.109 350 D HN 0.242 nan 8.370 nan 0.000 0.488 351 Y N 0.737 121.001 120.300 -0.060 0.000 2.285 351 Y HA -0.013 4.515 4.550 -0.036 0.000 0.356 351 Y C 0.618 176.503 175.900 -0.024 0.000 1.267 351 Y CA 0.270 58.346 58.100 -0.041 0.000 1.574 351 Y CB 0.656 39.087 38.460 -0.049 0.000 1.378 351 Y HN -0.090 nan 8.280 nan 0.000 0.679 352 V N 3.655 123.369 119.914 -0.334 0.000 2.357 352 V HA 0.200 4.298 4.120 -0.036 0.000 0.281 352 V C -0.312 175.729 176.094 -0.089 0.000 1.015 352 V CA -1.088 61.088 62.300 -0.206 0.000 0.827 352 V CB 0.857 32.505 31.823 -0.292 0.000 1.018 352 V HN 0.643 nan 8.190 nan 0.000 0.432 353 V N 6.393 126.342 119.914 0.058 0.000 3.209 353 V HA 0.059 4.158 4.120 -0.036 0.000 0.305 353 V C 1.092 177.194 176.094 0.015 0.000 1.127 353 V CA -0.208 62.144 62.300 0.086 0.000 1.235 353 V CB 0.832 32.691 31.823 0.061 0.000 0.987 353 V HN 0.838 nan 8.190 nan 0.000 0.499 354 M N 6.310 125.914 119.600 0.006 0.000 2.931 354 M HA -0.110 4.349 4.480 -0.036 0.000 0.431 354 M C 1.150 177.426 176.300 -0.039 0.000 1.754 354 M CA 0.991 56.274 55.300 -0.028 0.000 1.215 354 M CB -2.092 30.468 32.600 -0.066 0.000 2.015 354 M HN 0.867 nan 8.290 nan 0.000 0.488 355 N N 1.223 119.897 118.700 -0.044 0.000 2.653 355 N HA -0.200 4.518 4.740 -0.036 0.000 0.248 355 N C 1.110 176.597 175.510 -0.038 0.000 1.154 355 N CA 1.235 54.258 53.050 -0.045 0.000 0.780 355 N CB -1.252 37.212 38.487 -0.038 0.000 1.155 355 N HN 0.870 nan 8.380 nan 0.000 0.570 356 G N 0.095 108.875 108.800 -0.033 0.000 2.509 356 G HA2 -0.149 3.790 3.960 -0.036 0.000 0.218 356 G HA3 -0.149 3.790 3.960 -0.036 0.000 0.218 356 G C 0.663 175.546 174.900 -0.027 0.000 1.124 356 G CA 1.129 46.216 45.100 -0.022 0.000 0.776 356 G HN 0.628 nan 8.290 nan 0.000 0.547 357 E N -2.215 117.960 120.200 -0.043 0.000 3.680 357 E HA -0.189 4.139 4.350 -0.036 0.000 0.309 357 E C -0.109 176.464 176.600 -0.045 0.000 0.793 357 E CA 0.524 56.893 56.400 -0.052 0.000 1.083 357 E CB -1.783 27.890 29.700 -0.044 0.000 1.548 357 E HN 0.325 nan 8.360 nan 0.000 0.456 358 V N 1.959 121.858 119.914 -0.025 0.000 2.385 358 V HA 0.172 4.270 4.120 -0.036 0.000 0.269 358 V C 0.475 176.579 176.094 0.016 0.000 1.043 358 V CA -0.294 62.005 62.300 -0.002 0.000 0.906 358 V CB 0.656 32.490 31.823 0.018 0.000 0.995 358 V HN 0.099 nan 8.190 nan 0.000 0.467 359 I N 7.035 127.625 120.570 0.034 0.000 2.357 359 I HA 0.188 4.336 4.170 -0.036 0.000 0.300 359 I C 0.416 176.604 176.117 0.118 0.000 1.159 359 I CA 0.677 62.012 61.300 0.059 0.000 1.339 359 I CB -0.697 37.350 38.000 0.079 0.000 1.458 359 I HN 0.555 nan 8.210 nan 0.000 0.577 360 I N 3.040 123.655 120.570 0.075 0.000 2.664 360 I HA 0.677 4.826 4.170 -0.036 0.000 0.308 360 I C -0.357 175.768 176.117 0.014 0.000 0.984 360 I CA -0.958 60.378 61.300 0.060 0.000 1.213 360 I CB 1.543 39.586 38.000 0.071 0.000 1.379 360 I HN -0.035 nan 8.210 nan 0.000 0.501 361 V N 3.461 123.361 119.914 -0.023 0.000 2.334 361 V HA 0.257 4.355 4.120 -0.036 0.000 0.281 361 V C -0.687 175.388 176.094 -0.031 0.000 1.016 361 V CA -0.209 62.051 62.300 -0.067 0.000 0.832 361 V CB 0.772 32.525 31.823 -0.116 0.000 0.999 361 V HN 0.763 nan 8.190 nan 0.000 0.439 362 D N 1.899 122.271 120.400 -0.046 0.000 2.395 362 D HA 0.144 4.762 4.640 -0.036 0.000 0.213 362 D C 0.922 177.188 176.300 -0.058 0.000 1.110 362 D CA 0.002 53.980 54.000 -0.037 0.000 0.835 362 D CB 0.536 41.304 40.800 -0.053 0.000 0.965 362 D HN 0.667 nan 8.370 nan 0.000 0.505 363 E N 0.075 120.220 120.200 -0.091 0.000 2.973 363 E HA 0.037 4.366 4.350 -0.036 0.000 0.279 363 E C -0.072 176.547 176.600 0.032 0.000 1.473 363 E CA -0.492 55.850 56.400 -0.097 0.000 1.251 363 E CB 0.235 29.785 29.700 -0.250 0.000 1.063 363 E HN -0.024 nan 8.360 nan 0.000 0.685 364 F N 1.686 121.552 119.950 -0.139 0.000 2.635 364 F HA -0.293 4.212 4.527 -0.036 0.000 0.228 364 F C 0.820 176.586 175.800 -0.056 0.000 1.029 364 F CA 1.298 59.240 58.000 -0.097 0.000 0.907 364 F CB -1.993 36.930 39.000 -0.128 0.000 0.893 364 F HN 0.639 nan 8.300 nan 0.000 0.845 365 T N -1.049 113.342 114.554 -0.271 0.000 7.894 365 T HA -0.293 4.035 4.350 -0.036 0.000 0.344 365 T C 1.438 176.014 174.700 -0.206 0.000 1.622 365 T CA 1.639 63.565 62.100 -0.291 0.000 2.550 365 T CB -1.982 66.608 68.868 -0.463 0.000 2.738 365 T HN 1.808 nan 8.240 nan 0.000 1.238 366 G N 0.813 109.538 108.800 -0.127 0.000 2.873 366 G HA2 0.550 4.488 3.960 -0.036 0.000 0.170 366 G HA3 0.550 4.488 3.960 -0.036 0.000 0.170 366 G C 0.195 175.060 174.900 -0.058 0.000 1.608 366 G CA -0.153 44.910 45.100 -0.062 0.000 1.084 366 G HN 0.872 nan 8.290 nan 0.000 0.563 367 R N -1.447 119.032 120.500 -0.035 0.000 2.549 367 R HA 0.188 4.506 4.340 -0.036 0.000 0.169 367 R C -1.028 175.248 176.300 -0.040 0.000 1.299 367 R CA -0.378 55.684 56.100 -0.064 0.000 0.817 367 R CB -0.640 29.612 30.300 -0.080 0.000 1.406 367 R HN 0.852 nan 8.270 nan 0.000 0.483 368 L N 2.355 123.567 121.223 -0.018 0.000 2.626 368 L HA -0.167 4.151 4.340 -0.036 0.000 0.619 368 L C -1.927 174.996 176.870 0.089 0.000 1.001 368 L CA 0.316 55.173 54.840 0.029 0.000 1.326 368 L CB 0.101 42.168 42.059 0.013 0.000 1.890 368 L HN 0.543 nan 8.230 nan 0.000 0.909 369 L N 7.685 128.957 121.223 0.082 0.000 2.337 369 L HA 0.533 4.851 4.340 -0.036 0.000 0.269 369 L C -1.847 175.078 176.870 0.092 0.000 1.018 369 L CA -1.757 53.145 54.840 0.104 0.000 0.876 369 L CB 1.298 43.428 42.059 0.119 0.000 1.236 369 L HN 0.414 nan 8.230 nan 0.000 0.436 370 P HA -0.029 nan 4.420 nan 0.000 0.267 370 P C 0.209 177.555 177.300 0.077 0.000 1.201 370 P CA 0.110 63.260 63.100 0.084 0.000 0.775 370 P CB 0.456 32.202 31.700 0.077 0.000 0.854 371 G N 1.998 110.849 108.800 0.084 0.000 2.637 371 G HA2 -0.167 3.771 3.960 -0.036 0.000 0.331 371 G HA3 -0.167 3.771 3.960 -0.036 0.000 0.331 371 G C -0.013 174.948 174.900 0.102 0.000 0.110 371 G CA 0.548 45.712 45.100 0.108 0.000 1.187 371 G HN 0.816 nan 8.290 nan 0.000 0.548 372 R N 0.731 121.312 120.500 0.135 0.000 3.176 372 R HA 0.595 4.914 4.340 -0.036 0.000 0.284 372 R C -1.244 174.967 176.300 -0.149 0.000 0.985 372 R CA -1.031 55.097 56.100 0.046 0.000 0.853 372 R CB 0.853 31.167 30.300 0.024 0.000 1.309 372 R HN 0.777 nan 8.270 nan 0.000 0.528 373 R N 1.045 121.484 120.500 -0.103 0.000 2.643 373 R HA 0.267 4.585 4.340 -0.036 0.000 0.269 373 R C -1.317 174.996 176.300 0.021 0.000 1.037 373 R CA -0.501 55.502 56.100 -0.163 0.000 0.894 373 R CB 0.754 30.939 30.300 -0.191 0.000 1.238 373 R HN 0.612 nan 8.270 nan 0.000 0.459 374 Y N 0.409 120.677 120.300 -0.054 0.000 2.529 374 Y HA 0.442 4.970 4.550 -0.036 0.000 0.290 374 Y C -0.281 175.626 175.900 0.013 0.000 1.177 374 Y CA 0.821 58.915 58.100 -0.010 0.000 1.305 374 Y CB 0.677 39.140 38.460 0.005 0.000 1.047 374 Y HN 0.485 nan 8.280 nan 0.000 0.522 375 S N -2.513 113.247 115.700 0.100 0.000 2.611 375 S HA 0.466 4.915 4.470 -0.036 0.000 0.268 375 S C 0.235 174.888 174.600 0.089 0.000 1.156 375 S CA -0.405 57.846 58.200 0.086 0.000 0.817 375 S CB 1.054 64.336 63.200 0.135 0.000 1.122 375 S HN 0.154 nan 8.310 nan 0.000 0.466 376 G N -0.333 108.520 108.800 0.088 0.000 3.678 376 G HA2 0.479 4.417 3.960 -0.036 0.000 0.287 376 G HA3 0.479 4.417 3.960 -0.036 0.000 0.287 376 G C 0.617 175.620 174.900 0.173 0.000 1.280 376 G CA 0.275 45.434 45.100 0.098 0.000 1.118 376 G HN 0.967 nan 8.290 nan 0.000 0.563 377 G N -0.487 108.432 108.800 0.199 0.000 3.079 377 G HA2 -0.014 3.924 3.960 -0.036 0.000 0.157 377 G HA3 -0.014 3.924 3.960 -0.036 0.000 0.157 377 G C 1.097 176.134 174.900 0.228 0.000 1.447 377 G CA 0.253 45.519 45.100 0.276 0.000 0.753 377 G HN 0.266 nan 8.290 nan 0.000 0.989 378 L N 0.111 121.442 121.223 0.179 0.000 2.023 378 L HA 0.206 4.525 4.340 -0.036 0.000 0.205 378 L C 2.341 179.327 176.870 0.193 0.000 1.073 378 L CA 1.749 56.686 54.840 0.162 0.000 0.745 378 L CB -0.377 41.782 42.059 0.167 0.000 0.900 378 L HN 0.403 nan 8.230 nan 0.000 0.435 379 H N -0.512 118.604 119.070 0.076 0.000 2.289 379 H HA -0.281 4.253 4.556 -0.036 0.000 0.294 379 H C 2.215 177.539 175.328 -0.007 0.000 1.095 379 H CA 2.056 58.122 56.048 0.030 0.000 1.256 379 H CB 0.172 29.939 29.762 0.009 0.000 1.359 379 H HN 0.544 nan 8.280 nan 0.000 0.487 380 Q N -0.287 119.559 119.800 0.078 0.000 2.297 380 Q HA 0.004 4.322 4.340 -0.036 0.000 0.204 380 Q C 2.322 178.369 176.000 0.079 0.000 0.962 380 Q CA 0.706 56.435 55.803 -0.124 0.000 0.879 380 Q CB 0.119 28.585 28.738 -0.453 0.000 0.947 380 Q HN 0.412 nan 8.270 nan 0.000 0.462 381 A N 2.224 125.189 122.820 0.242 0.000 1.832 381 A HA -0.118 4.180 4.320 -0.036 0.000 0.214 381 A C 2.111 179.766 177.584 0.118 0.000 1.200 381 A CA 1.127 53.317 52.037 0.255 0.000 0.610 381 A CB -0.754 18.322 19.000 0.127 0.000 0.842 381 A HN 0.414 nan 8.150 nan 0.000 0.444 382 I N -0.688 119.933 120.570 0.085 0.000 2.335 382 I HA -0.252 3.897 4.170 -0.036 0.000 0.251 382 I C 2.226 178.359 176.117 0.027 0.000 1.129 382 I CA 2.067 63.395 61.300 0.046 0.000 1.402 382 I CB -0.130 37.909 38.000 0.066 0.000 1.069 382 I HN 0.401 nan 8.210 nan 0.000 0.424 383 E N 0.993 121.208 120.200 0.026 0.000 2.085 383 E HA -0.224 4.104 4.350 -0.036 0.000 0.194 383 E C 2.087 178.652 176.600 -0.057 0.000 0.994 383 E CA 1.662 58.035 56.400 -0.046 0.000 0.801 383 E CB -0.280 29.348 29.700 -0.121 0.000 0.743 383 E HN 0.633 nan 8.360 nan 0.000 0.453 384 A N 0.266 123.086 122.820 0.000 0.000 2.067 384 A HA -0.156 4.143 4.320 -0.036 0.000 0.219 384 A C 1.985 179.572 177.584 0.006 0.000 1.158 384 A CA 1.441 53.492 52.037 0.024 0.000 0.661 384 A CB -0.327 18.774 19.000 0.167 0.000 0.801 384 A HN 0.129 nan 8.150 nan 0.000 0.452 385 K N -0.837 119.562 120.400 -0.003 0.000 2.243 385 K HA -0.050 4.248 4.320 -0.036 0.000 0.201 385 K C 1.239 177.823 176.600 -0.026 0.000 1.051 385 K CA 0.949 57.225 56.287 -0.018 0.000 0.970 385 K CB 0.083 32.565 32.500 -0.031 0.000 0.755 385 K HN 0.397 nan 8.250 nan 0.000 0.465 386 E N -0.827 119.351 120.200 -0.036 0.000 2.611 386 E HA 0.183 4.512 4.350 -0.036 0.000 0.284 386 E C 1.314 177.883 176.600 -0.052 0.000 0.800 386 E CA 0.892 57.263 56.400 -0.049 0.000 1.264 386 E CB -0.359 29.305 29.700 -0.060 0.000 1.735 386 E HN 0.307 nan 8.360 nan 0.000 0.526 387 G N 0.643 109.403 108.800 -0.067 0.000 2.861 387 G HA2 0.165 4.103 3.960 -0.036 0.000 0.160 387 G HA3 0.165 4.103 3.960 -0.036 0.000 0.160 387 G C -0.306 174.532 174.900 -0.104 0.000 1.570 387 G CA 0.189 45.248 45.100 -0.067 0.000 0.925 387 G HN 0.187 nan 8.290 nan 0.000 0.754 388 V N 1.916 121.774 119.914 -0.093 0.000 2.452 388 V HA 0.406 4.504 4.120 -0.036 0.000 0.286 388 V C -2.258 173.727 176.094 -0.182 0.000 0.995 388 V CA -1.319 60.911 62.300 -0.115 0.000 1.116 388 V CB 0.105 31.882 31.823 -0.076 0.000 0.954 388 V HN 0.381 nan 8.190 nan 0.000 0.473 389 P HA 0.515 nan 4.420 nan 0.000 0.300 389 P C 0.200 177.326 177.300 -0.290 0.000 1.326 389 P CA -0.655 62.230 63.100 -0.359 0.000 0.844 389 P CB 2.018 33.347 31.700 -0.618 0.000 0.992 390 I N 1.575 121.982 120.570 -0.273 0.000 3.191 390 I HA 0.362 4.510 4.170 -0.036 0.000 0.210 390 I C 0.745 176.738 176.117 -0.206 0.000 1.343 390 I CA -0.513 60.646 61.300 -0.236 0.000 0.679 390 I CB 0.073 37.877 38.000 -0.325 0.000 1.798 390 I HN 0.298 nan 8.210 nan 0.000 0.943 391 K N -0.988 119.310 120.400 -0.170 0.000 2.850 391 K HA 0.396 4.695 4.320 -0.036 0.000 0.175 391 K C -0.674 175.860 176.600 -0.111 0.000 1.137 391 K CA -0.392 55.816 56.287 -0.133 0.000 1.125 391 K CB 0.147 32.604 32.500 -0.071 0.000 0.766 391 K HN 0.448 nan 8.250 nan 0.000 0.438 392 E N 2.320 122.445 120.200 -0.124 0.000 2.222 392 E HA 0.283 4.611 4.350 -0.036 0.000 0.272 392 E C -0.882 175.690 176.600 -0.047 0.000 0.982 392 E CA -0.388 55.966 56.400 -0.076 0.000 0.842 392 E CB 1.673 31.336 29.700 -0.063 0.000 1.144 392 E HN 0.464 nan 8.360 nan 0.000 0.397 393 E N -0.323 119.862 120.200 -0.026 0.000 2.656 393 E HA 0.232 4.560 4.350 -0.036 0.000 0.395 393 E C -1.237 175.348 176.600 -0.024 0.000 1.028 393 E CA -0.486 55.910 56.400 -0.006 0.000 0.728 393 E CB -0.076 29.624 29.700 -0.001 0.000 1.577 393 E HN 0.315 nan 8.360 nan 0.000 0.384 394 S N 1.703 117.385 115.700 -0.031 0.000 2.632 394 S HA 0.890 5.339 4.470 -0.036 0.000 0.289 394 S C -0.078 174.476 174.600 -0.076 0.000 1.115 394 S CA -0.728 57.438 58.200 -0.056 0.000 0.889 394 S CB 1.648 64.813 63.200 -0.058 0.000 1.116 394 S HN 0.445 nan 8.310 nan 0.000 0.486 395 I N -0.957 119.554 120.570 -0.099 0.000 3.660 395 I HA 0.698 4.846 4.170 -0.036 0.000 0.287 395 I C 0.531 176.575 176.117 -0.121 0.000 1.142 395 I CA -1.112 60.113 61.300 -0.125 0.000 1.121 395 I CB 1.521 39.426 38.000 -0.158 0.000 1.373 395 I HN 0.811 nan 8.210 nan 0.000 0.473 396 T N -1.740 112.730 114.554 -0.139 0.000 4.042 396 T HA 0.085 4.413 4.350 -0.036 0.000 0.330 396 T C -1.445 173.220 174.700 -0.058 0.000 0.813 396 T CA -0.156 61.893 62.100 -0.085 0.000 1.275 396 T CB -0.141 68.708 68.868 -0.032 0.000 0.900 396 T HN 0.518 nan 8.240 nan 0.000 0.480 397 Y N 0.016 120.237 120.300 -0.131 0.000 2.656 397 Y HA 0.692 5.219 4.550 -0.038 0.000 0.334 397 Y C -1.237 174.646 175.900 -0.030 0.000 1.179 397 Y CA -0.223 57.828 58.100 -0.080 0.000 1.050 397 Y CB 1.883 40.305 38.460 -0.063 0.000 1.308 397 Y HN 0.494 nan 8.280 nan 0.000 0.456 398 A N 1.097 124.057 122.820 0.234 0.000 2.593 398 A HA 0.871 5.169 4.320 -0.036 0.000 0.290 398 A C -1.120 176.631 177.584 0.279 0.000 1.126 398 A CA -0.243 51.907 52.037 0.189 0.000 0.695 398 A CB 2.092 21.125 19.000 0.056 0.000 1.290 398 A HN 0.723 nan 8.150 nan 0.000 0.414 399 T N 0.016 114.704 114.554 0.223 0.000 3.003 399 T HA 0.397 4.725 4.350 -0.036 0.000 0.354 399 T C -1.660 173.130 174.700 0.150 0.000 1.651 399 T CA -0.489 61.742 62.100 0.219 0.000 1.103 399 T CB 0.567 69.619 68.868 0.306 0.000 1.450 399 T HN 0.757 nan 8.240 nan 0.000 0.484 400 I N 4.559 125.181 120.570 0.086 0.000 2.452 400 I HA 0.165 4.314 4.170 -0.036 0.000 0.287 400 I C 2.080 178.230 176.117 0.055 0.000 1.079 400 I CA 0.656 61.976 61.300 0.033 0.000 1.387 400 I CB 1.102 38.981 38.000 -0.202 0.000 1.404 400 I HN 0.917 nan 8.210 nan 0.000 0.522 401 T N 7.329 121.993 114.554 0.183 0.000 2.760 401 T HA -0.225 4.104 4.350 -0.036 0.000 0.269 401 T C 1.230 175.995 174.700 0.108 0.000 1.047 401 T CA 2.000 64.164 62.100 0.108 0.000 1.139 401 T CB -0.228 68.757 68.868 0.194 0.000 0.855 401 T HN 0.689 nan 8.240 nan 0.000 0.471 402 F N 0.161 120.142 119.950 0.052 0.000 2.446 402 F HA 0.421 4.929 4.527 -0.032 0.000 0.234 402 F C 2.597 178.412 175.800 0.025 0.000 1.067 402 F CA -0.631 57.462 58.000 0.155 0.000 0.986 402 F CB -0.756 38.232 39.000 -0.019 0.000 1.145 402 F HN -0.319 nan 8.300 nan 0.000 0.661 403 Q N 1.269 120.616 119.800 -0.754 0.000 2.082 403 Q HA -0.275 4.043 4.340 -0.036 0.000 0.211 403 Q C 1.818 177.655 176.000 -0.272 0.000 1.002 403 Q CA 2.742 58.251 55.803 -0.490 0.000 0.868 403 Q CB -0.807 27.560 28.738 -0.618 0.000 0.931 403 Q HN 0.698 nan 8.270 nan 0.000 0.414 404 N N -1.314 117.207 118.700 -0.298 0.000 2.166 404 N HA -0.175 4.544 4.740 -0.036 0.000 0.186 404 N C 1.595 177.051 175.510 -0.090 0.000 1.019 404 N CA 1.102 54.079 53.050 -0.123 0.000 0.856 404 N CB -0.095 38.357 38.487 -0.058 0.000 0.993 404 N HN 0.249 nan 8.380 nan 0.000 0.426 405 Y N 0.459 120.607 120.300 -0.254 0.000 2.201 405 Y HA -0.001 4.527 4.550 -0.036 0.000 0.274 405 Y C 1.781 177.536 175.900 -0.242 0.000 1.085 405 Y CA 1.189 59.062 58.100 -0.379 0.000 1.079 405 Y CB -0.622 37.464 38.460 -0.624 0.000 1.017 405 Y HN -0.116 nan 8.280 nan 0.000 0.480 406 F N 0.413 120.490 119.950 0.212 0.000 2.091 406 F HA -0.229 4.276 4.527 -0.038 0.000 0.299 406 F C 2.568 178.362 175.800 -0.010 0.000 1.103 406 F CA 1.742 59.811 58.000 0.115 0.000 1.228 406 F CB -0.439 38.627 39.000 0.110 0.000 0.984 406 F HN -0.033 nan 8.300 nan 0.000 0.477 407 R N 0.040 120.607 120.500 0.112 0.000 2.280 407 R HA -0.097 4.222 4.340 -0.036 0.000 0.207 407 R C 2.127 178.418 176.300 -0.015 0.000 1.043 407 R CA 0.440 56.551 56.100 0.018 0.000 1.006 407 R CB -0.266 30.011 30.300 -0.037 0.000 0.885 407 R HN 0.381 nan 8.270 nan 0.000 0.467 408 M N -0.655 118.937 119.600 -0.015 0.000 2.213 408 M HA -0.160 4.299 4.480 -0.036 0.000 0.263 408 M C -0.642 175.694 176.300 0.061 0.000 1.062 408 M CA 1.574 56.881 55.300 0.012 0.000 1.105 408 M CB 0.347 32.935 32.600 -0.020 0.000 1.385 408 M HN -0.050 nan 8.290 nan 0.000 0.417 409 Y N 0.166 120.428 120.300 -0.065 0.000 2.357 409 Y HA 0.309 4.839 4.550 -0.033 0.000 0.319 409 Y C 0.054 175.955 175.900 0.003 0.000 1.225 409 Y CA -0.770 57.267 58.100 -0.104 0.000 1.095 409 Y CB 0.760 39.007 38.460 -0.356 0.000 1.302 409 Y HN 0.412 nan 8.280 nan 0.000 0.429 410 E N 1.841 122.184 120.200 0.240 0.000 3.335 410 E HA -0.200 4.128 4.350 -0.036 0.000 0.245 410 E C -1.262 175.433 176.600 0.158 0.000 1.424 410 E CA 1.481 58.039 56.400 0.265 0.000 2.044 410 E CB -0.441 29.547 29.700 0.480 0.000 2.060 410 E HN 0.645 nan 8.360 nan 0.000 0.514 411 K N -0.412 120.092 120.400 0.174 0.000 2.279 411 K HA 0.821 5.119 4.320 -0.036 0.000 0.238 411 K C -0.626 175.877 176.600 -0.161 0.000 1.084 411 K CA -0.804 55.520 56.287 0.062 0.000 0.885 411 K CB 1.149 33.727 32.500 0.130 0.000 1.319 411 K HN 0.352 nan 8.250 nan 0.000 0.494 412 L N -0.059 121.057 121.223 -0.178 0.000 2.518 412 L HA 0.604 4.923 4.340 -0.036 0.000 0.257 412 L C -1.537 175.199 176.870 -0.223 0.000 0.980 412 L CA -0.910 53.741 54.840 -0.315 0.000 0.837 412 L CB 2.306 44.153 42.059 -0.354 0.000 1.410 412 L HN 0.759 nan 8.230 nan 0.000 0.410 413 A N 0.999 123.680 122.820 -0.232 0.000 2.499 413 A HA 0.757 5.056 4.320 -0.036 0.000 0.280 413 A C -0.186 177.328 177.584 -0.118 0.000 1.135 413 A CA -0.135 51.831 52.037 -0.118 0.000 0.744 413 A CB 1.123 20.115 19.000 -0.013 0.000 1.213 413 A HN 0.749 nan 8.150 nan 0.000 0.434 414 G N 1.224 109.955 108.800 -0.115 0.000 2.616 414 G HA2 0.574 4.512 3.960 -0.036 0.000 0.268 414 G HA3 0.574 4.512 3.960 -0.036 0.000 0.268 414 G C -0.175 174.731 174.900 0.011 0.000 1.213 414 G CA -0.549 44.515 45.100 -0.060 0.000 0.926 414 G HN 0.681 nan 8.290 nan 0.000 0.523 415 M N 0.826 120.432 119.600 0.009 0.000 2.204 415 M HA 0.474 4.932 4.480 -0.036 0.000 0.293 415 M C 0.073 176.375 176.300 0.002 0.000 0.994 415 M CA -0.519 54.788 55.300 0.012 0.000 0.925 415 M CB 2.117 34.718 32.600 0.002 0.000 1.577 415 M HN 0.780 nan 8.290 nan 0.000 0.439 416 T N 0.401 114.958 114.554 0.005 0.000 12.392 416 T HA -0.028 4.300 4.350 -0.036 0.000 0.365 416 T C 0.425 175.116 174.700 -0.015 0.000 1.455 416 T CA 0.297 62.391 62.100 -0.010 0.000 2.080 416 T CB -1.518 67.335 68.868 -0.026 0.000 2.714 416 T HN 1.547 nan 8.240 nan 0.000 0.177 417 G N -0.046 108.732 108.800 -0.037 0.000 2.894 417 G HA2 0.035 3.973 3.960 -0.036 0.000 0.562 417 G HA3 0.035 3.973 3.960 -0.036 0.000 0.562 417 G C 0.616 175.471 174.900 -0.075 0.000 1.424 417 G CA 1.398 46.455 45.100 -0.072 0.000 0.958 417 G HN 1.800 nan 8.290 nan 0.000 0.555 418 T N -0.943 113.542 114.554 -0.114 0.000 3.700 418 T HA 0.318 4.646 4.350 -0.036 0.000 0.316 418 T C 1.238 175.867 174.700 -0.119 0.000 0.876 418 T CA 1.034 63.076 62.100 -0.097 0.000 1.047 418 T CB -1.109 67.725 68.868 -0.058 0.000 1.080 418 T HN 2.273 nan 8.240 nan 0.000 0.646 419 A N 1.808 124.558 122.820 -0.117 0.000 2.583 419 A HA 0.217 4.516 4.320 -0.036 0.000 0.231 419 A C 1.140 178.642 177.584 -0.136 0.000 1.065 419 A CA 0.646 52.618 52.037 -0.108 0.000 0.760 419 A CB 0.173 19.117 19.000 -0.094 0.000 1.001 419 A HN 0.522 nan 8.150 nan 0.000 0.509 420 K N 0.559 120.898 120.400 -0.102 0.000 2.362 420 K HA -0.087 4.211 4.320 -0.036 0.000 0.200 420 K C 1.768 178.316 176.600 -0.088 0.000 1.046 420 K CA 1.487 57.716 56.287 -0.097 0.000 0.952 420 K CB -0.271 32.191 32.500 -0.065 0.000 0.753 420 K HN 0.794 nan 8.250 nan 0.000 0.466 421 T N 2.077 116.583 114.554 -0.080 0.000 2.737 421 T HA -0.189 4.139 4.350 -0.036 0.000 0.269 421 T C 1.553 176.187 174.700 -0.110 0.000 1.040 421 T CA 2.030 64.105 62.100 -0.040 0.000 1.142 421 T CB -0.176 68.663 68.868 -0.048 0.000 0.861 421 T HN 0.530 nan 8.240 nan 0.000 0.456 422 E N 0.956 120.983 120.200 -0.288 0.000 2.318 422 E HA 0.061 4.390 4.350 -0.036 0.000 0.193 422 E C 2.020 178.213 176.600 -0.678 0.000 0.998 422 E CA 0.403 56.437 56.400 -0.609 0.000 0.859 422 E CB -0.163 28.952 29.700 -0.974 0.000 0.812 422 E HN 0.461 nan 8.360 nan 0.000 0.492 423 E N 1.301 121.280 120.200 -0.369 0.000 2.028 423 E HA -0.115 4.214 4.350 -0.036 0.000 0.191 423 E C 2.106 178.703 176.600 -0.005 0.000 0.988 423 E CA 1.299 57.591 56.400 -0.180 0.000 0.799 423 E CB -0.130 29.502 29.700 -0.113 0.000 0.755 423 E HN 0.158 nan 8.360 nan 0.000 0.447 424 S N 0.992 116.708 115.700 0.025 0.000 2.387 424 S HA -0.174 4.275 4.470 -0.036 0.000 0.230 424 S C 1.782 176.502 174.600 0.200 0.000 1.035 424 S CA 1.044 59.316 58.200 0.119 0.000 1.014 424 S CB -0.164 63.121 63.200 0.142 0.000 0.836 424 S HN 0.227 nan 8.310 nan 0.000 0.466 425 E N 0.879 121.183 120.200 0.173 0.000 2.028 425 E HA 0.003 4.331 4.350 -0.036 0.000 0.191 425 E C 1.523 178.368 176.600 0.409 0.000 0.988 425 E CA 0.806 57.348 56.400 0.237 0.000 0.799 425 E CB -0.449 29.297 29.700 0.077 0.000 0.755 425 E HN 0.648 nan 8.360 nan 0.000 0.447 426 F N 0.726 120.671 119.950 -0.008 0.000 2.724 426 F HA -0.110 4.395 4.527 -0.037 0.000 0.297 426 F C 1.753 177.618 175.800 0.108 0.000 1.200 426 F CA -0.464 57.531 58.000 -0.010 0.000 1.468 426 F CB 0.233 39.170 39.000 -0.104 0.000 1.116 426 F HN -0.111 nan 8.300 nan 0.000 0.599 427 V N -1.450 118.651 119.914 0.312 0.000 3.097 427 V HA -0.100 3.998 4.120 -0.036 0.000 0.223 427 V C 1.908 178.139 176.094 0.229 0.000 1.199 427 V CA 0.198 62.632 62.300 0.224 0.000 1.260 427 V CB -0.481 31.440 31.823 0.163 0.000 1.155 427 V HN -0.012 nan 8.190 nan 0.000 0.509 428 Q N 0.318 120.262 119.800 0.240 0.000 2.468 428 Q HA -0.186 4.132 4.340 -0.036 0.000 0.216 428 Q C 1.498 177.647 176.000 0.248 0.000 0.991 428 Q CA 2.313 58.256 55.803 0.233 0.000 0.900 428 Q CB -0.098 28.801 28.738 0.267 0.000 0.930 428 Q HN 0.792 nan 8.270 nan 0.000 0.473 429 V N -6.238 113.865 119.914 0.316 0.000 4.732 429 V HA -0.005 4.093 4.120 -0.036 0.000 0.145 429 V C 1.505 177.743 176.094 0.239 0.000 1.249 429 V CA -0.183 62.284 62.300 0.278 0.000 1.164 429 V CB -0.977 31.091 31.823 0.408 0.000 1.415 429 V HN -0.027 nan 8.190 nan 0.000 0.617 430 Y N 2.921 123.328 120.300 0.179 0.000 2.030 430 Y HA 0.272 4.801 4.550 -0.034 0.000 0.274 430 Y C 2.073 177.995 175.900 0.035 0.000 1.153 430 Y CA 2.364 60.501 58.100 0.062 0.000 1.115 430 Y CB -0.671 37.708 38.460 -0.135 0.000 0.969 430 Y HN 0.751 nan 8.280 nan 0.000 0.488 431 G N -0.384 108.566 108.800 0.252 0.000 2.526 431 G HA2 -0.144 3.794 3.960 -0.036 0.000 0.225 431 G HA3 -0.144 3.794 3.960 -0.036 0.000 0.225 431 G C -0.413 174.559 174.900 0.120 0.000 1.120 431 G CA -0.054 45.141 45.100 0.158 0.000 0.904 431 G HN 0.063 nan 8.290 nan 0.000 0.498 432 M N -1.333 118.347 119.600 0.134 0.000 2.752 432 M HA 0.815 5.273 4.480 -0.036 0.000 0.285 432 M C 0.214 176.626 176.300 0.187 0.000 1.140 432 M CA -0.837 54.526 55.300 0.106 0.000 0.767 432 M CB 1.087 33.672 32.600 -0.025 0.000 1.736 432 M HN 0.127 nan 8.290 nan 0.000 0.452 433 E N 0.003 120.319 120.200 0.193 0.000 2.415 433 E HA 0.751 5.080 4.350 -0.036 0.000 0.255 433 E C -1.732 174.970 176.600 0.169 0.000 0.936 433 E CA -0.609 55.890 56.400 0.166 0.000 0.876 433 E CB 2.476 32.237 29.700 0.102 0.000 1.696 433 E HN 0.386 nan 8.360 nan 0.000 0.435 434 V N 0.829 120.793 119.914 0.084 0.000 2.656 434 V HA 0.475 4.573 4.120 -0.036 0.000 0.307 434 V C -0.550 175.582 176.094 0.062 0.000 1.051 434 V CA -0.758 61.577 62.300 0.057 0.000 0.893 434 V CB 1.934 33.742 31.823 -0.024 0.000 0.999 434 V HN 0.384 nan 8.190 nan 0.000 0.426 435 V N 4.684 124.649 119.914 0.085 0.000 2.383 435 V HA 0.226 4.325 4.120 -0.036 0.000 0.264 435 V C -0.139 176.005 176.094 0.084 0.000 1.001 435 V CA -0.522 61.844 62.300 0.110 0.000 0.828 435 V CB 1.421 33.365 31.823 0.201 0.000 1.069 435 V HN 0.644 nan 8.190 nan 0.000 0.451 436 V N 5.820 125.765 119.914 0.051 0.000 2.450 436 V HA 0.285 4.383 4.120 -0.036 0.000 0.281 436 V C 0.036 176.161 176.094 0.051 0.000 1.019 436 V CA 0.538 62.859 62.300 0.036 0.000 1.062 436 V CB 0.044 31.878 31.823 0.018 0.000 0.979 436 V HN 0.646 nan 8.190 nan 0.000 0.477 437 I N 7.220 127.818 120.570 0.047 0.000 2.534 437 I HA 0.449 4.597 4.170 -0.036 0.000 0.288 437 I C -2.645 173.488 176.117 0.026 0.000 1.077 437 I CA -1.860 59.469 61.300 0.049 0.000 1.051 437 I CB 3.037 41.078 38.000 0.068 0.000 1.234 437 I HN 0.393 nan 8.210 nan 0.000 0.425 438 P HA 0.163 nan 4.420 nan 0.000 0.294 438 P C -0.045 177.238 177.300 -0.029 0.000 1.389 438 P CA -0.178 62.919 63.100 -0.004 0.000 0.875 438 P CB 1.416 33.118 31.700 0.002 0.000 1.018 439 T N 2.790 117.300 114.554 -0.074 0.000 2.625 439 T HA 0.001 4.329 4.350 -0.036 0.000 0.357 439 T C 0.479 175.046 174.700 -0.222 0.000 1.053 439 T CA 0.067 62.043 62.100 -0.207 0.000 1.037 439 T CB -0.404 68.282 68.868 -0.303 0.000 1.123 439 T HN 0.410 nan 8.240 nan 0.000 0.520 440 H N 1.888 120.606 119.070 -0.586 0.000 3.167 440 H HA 0.061 4.595 4.556 -0.036 0.000 0.306 440 H C 0.312 175.452 175.328 -0.313 0.000 0.965 440 H CA -0.278 55.481 56.048 -0.481 0.000 1.408 440 H CB 0.259 29.595 29.762 -0.711 0.000 1.406 440 H HN 0.349 nan 8.280 nan 0.000 0.576 441 K N 1.657 122.029 120.400 -0.047 0.000 6.228 441 K HA -0.104 4.194 4.320 -0.036 0.000 0.581 441 K C -2.754 173.828 176.600 -0.029 0.000 1.437 441 K CA -0.059 56.211 56.287 -0.029 0.000 1.549 441 K CB -0.809 31.687 32.500 -0.006 0.000 1.807 441 K HN 0.592 nan 8.250 nan 0.000 0.358 442 P HA 0.139 nan 4.420 nan 0.000 0.282 442 P C 0.505 177.800 177.300 -0.008 0.000 1.262 442 P CA -0.273 62.818 63.100 -0.015 0.000 0.773 442 P CB 0.680 32.374 31.700 -0.010 0.000 0.879 443 M N 1.985 121.582 119.600 -0.006 0.000 2.173 443 M HA -0.252 4.207 4.480 -0.036 0.000 0.197 443 M C 0.479 176.777 176.300 -0.003 0.000 0.296 443 M CA 0.311 55.609 55.300 -0.004 0.000 0.385 443 M CB -1.477 31.119 32.600 -0.007 0.000 1.141 443 M HN 0.302 nan 8.290 nan 0.000 0.938 444 I N -0.951 119.620 120.570 0.002 0.000 2.761 444 I HA -0.202 3.946 4.170 -0.036 0.000 0.266 444 I C 1.299 177.419 176.117 0.005 0.000 1.239 444 I CA 1.327 62.630 61.300 0.006 0.000 1.451 444 I CB -0.875 37.134 38.000 0.016 0.000 1.096 444 I HN 0.436 nan 8.210 nan 0.000 0.465 445 R N 1.492 121.992 120.500 0.001 0.000 2.528 445 R HA 0.580 4.898 4.340 -0.036 0.000 0.271 445 R C -0.344 175.940 176.300 -0.027 0.000 1.056 445 R CA -0.657 55.440 56.100 -0.004 0.000 1.117 445 R CB 0.533 30.835 30.300 0.003 0.000 1.085 445 R HN 0.061 nan 8.270 nan 0.000 0.530 446 K N 0.871 121.243 120.400 -0.047 0.000 2.098 446 K HA 0.323 4.621 4.320 -0.036 0.000 0.258 446 K C -0.874 175.614 176.600 -0.187 0.000 0.973 446 K CA -0.731 55.487 56.287 -0.116 0.000 0.898 446 K CB 1.153 33.578 32.500 -0.124 0.000 1.057 446 K HN 0.666 nan 8.250 nan 0.000 0.447 447 D N 0.390 120.613 120.400 -0.295 0.000 2.552 447 D HA 0.368 4.986 4.640 -0.036 0.000 0.239 447 D C -0.753 175.256 176.300 -0.485 0.000 1.139 447 D CA -0.567 53.268 54.000 -0.275 0.000 0.914 447 D CB 1.635 42.383 40.800 -0.088 0.000 1.461 447 D HN 0.418 nan 8.370 nan 0.000 0.462 448 H N 0.069 119.175 119.070 0.060 0.000 2.821 448 H HA 0.226 4.760 4.556 -0.036 0.000 0.373 448 H C -0.200 175.140 175.328 0.020 0.000 1.165 448 H CA -0.454 55.611 56.048 0.028 0.000 1.154 448 H CB 1.820 31.596 29.762 0.022 0.000 1.765 448 H HN 0.300 nan 8.280 nan 0.000 0.549 449 D N 0.723 121.187 120.400 0.106 0.000 2.300 449 D HA -0.074 4.544 4.640 -0.036 0.000 0.235 449 D C -0.212 176.088 176.300 -0.001 0.000 1.338 449 D CA 0.521 54.530 54.000 0.015 0.000 0.903 449 D CB 0.701 41.482 40.800 -0.031 0.000 1.180 449 D HN 0.438 nan 8.370 nan 0.000 0.485 450 D N 1.242 121.618 120.400 -0.041 0.000 2.517 450 D HA 0.143 4.761 4.640 -0.036 0.000 0.220 450 D C -0.050 176.183 176.300 -0.111 0.000 1.158 450 D CA -0.097 53.887 54.000 -0.026 0.000 0.992 450 D CB -0.126 40.649 40.800 -0.041 0.000 1.058 450 D HN 0.129 nan 8.370 nan 0.000 0.516 451 L N 1.617 122.728 121.223 -0.187 0.000 2.500 451 L HA 0.095 4.414 4.340 -0.036 0.000 0.272 451 L C 0.451 177.097 176.870 -0.373 0.000 1.149 451 L CA -0.201 54.440 54.840 -0.332 0.000 0.897 451 L CB 0.079 41.912 42.059 -0.377 0.000 1.178 451 L HN -0.082 nan 8.230 nan 0.000 0.473 452 V N 3.739 123.338 119.914 -0.525 0.000 2.837 452 V HA 0.557 4.655 4.120 -0.036 0.000 0.310 452 V C -0.261 175.286 176.094 -0.911 0.000 1.059 452 V CA -0.504 61.543 62.300 -0.421 0.000 1.004 452 V CB 1.738 33.442 31.823 -0.198 0.000 1.045 452 V HN 0.408 nan 8.190 nan 0.000 0.465 453 F N 0.511 120.482 119.950 0.036 0.000 2.608 453 F HA 0.644 5.149 4.527 -0.036 0.000 0.309 453 F C 0.276 176.104 175.800 0.046 0.000 1.103 453 F CA -0.911 57.118 58.000 0.048 0.000 0.954 453 F CB 1.659 40.704 39.000 0.076 0.000 1.267 453 F HN 0.295 nan 8.300 nan 0.000 0.444 454 R N -0.639 119.979 120.500 0.196 0.000 2.524 454 R HA 0.537 4.855 4.340 -0.036 0.000 0.236 454 R C -0.491 175.879 176.300 0.117 0.000 1.240 454 R CA -0.796 55.379 56.100 0.125 0.000 1.111 454 R CB 0.255 30.605 30.300 0.083 0.000 1.436 454 R HN 0.709 nan 8.270 nan 0.000 0.573 455 T N 2.788 117.389 114.554 0.079 0.000 1.861 455 T HA -0.227 4.102 4.350 -0.036 0.000 0.607 455 T C -0.413 174.325 174.700 0.064 0.000 0.930 455 T CA 0.974 63.111 62.100 0.062 0.000 3.333 455 T CB -1.095 67.804 68.868 0.051 0.000 1.727 455 T HN 0.650 nan 8.240 nan 0.000 0.336 456 Q N -0.143 119.691 119.800 0.057 0.000 3.166 456 Q HA -0.154 4.164 4.340 -0.036 0.000 0.025 456 Q C 0.711 176.755 176.000 0.073 0.000 1.692 456 Q CA 0.375 56.209 55.803 0.053 0.000 0.233 456 Q CB -0.189 28.575 28.738 0.044 0.000 1.400 456 Q HN 0.688 nan 8.270 nan 0.000 0.320 457 K N 1.149 121.591 120.400 0.068 0.000 2.687 457 K HA -0.139 4.160 4.320 -0.036 0.000 0.197 457 K C 0.550 177.236 176.600 0.143 0.000 1.018 457 K CA 0.389 56.737 56.287 0.101 0.000 1.035 457 K CB 0.160 32.695 32.500 0.059 0.000 0.834 457 K HN 0.279 nan 8.250 nan 0.000 0.496 458 E N 0.712 120.963 120.200 0.085 0.000 2.463 458 E HA -0.194 4.134 4.350 -0.036 0.000 0.201 458 E C 1.430 177.993 176.600 -0.061 0.000 1.045 458 E CA 1.010 57.428 56.400 0.030 0.000 0.872 458 E CB 0.155 29.872 29.700 0.027 0.000 0.797 458 E HN 0.499 nan 8.360 nan 0.000 0.538 459 K N -0.084 120.285 120.400 -0.052 0.000 2.116 459 K HA -0.161 4.137 4.320 -0.036 0.000 0.203 459 K C 2.147 178.592 176.600 -0.258 0.000 1.052 459 K CA 1.094 57.203 56.287 -0.298 0.000 0.952 459 K CB -1.056 31.379 32.500 -0.109 0.000 0.729 459 K HN 0.143 nan 8.250 nan 0.000 0.446 460 Y N 1.960 122.153 120.300 -0.178 0.000 2.315 460 Y HA -0.167 4.361 4.550 -0.036 0.000 0.288 460 Y C 2.014 177.786 175.900 -0.214 0.000 1.154 460 Y CA 1.796 59.780 58.100 -0.193 0.000 1.229 460 Y CB -0.198 38.188 38.460 -0.123 0.000 0.980 460 Y HN 0.424 nan 8.280 nan 0.000 0.540 461 E N 0.474 120.364 120.200 -0.516 0.000 2.046 461 E HA -0.239 4.089 4.350 -0.036 0.000 0.190 461 E C 2.080 178.420 176.600 -0.433 0.000 0.982 461 E CA 1.238 57.296 56.400 -0.570 0.000 0.800 461 E CB -0.173 29.348 29.700 -0.300 0.000 0.756 461 E HN 0.337 nan 8.360 nan 0.000 0.449 462 K N 1.025 121.200 120.400 -0.375 0.000 2.147 462 K HA -0.064 4.234 4.320 -0.036 0.000 0.205 462 K C 1.975 178.367 176.600 -0.348 0.000 1.049 462 K CA 0.899 56.987 56.287 -0.332 0.000 0.936 462 K CB -0.391 31.850 32.500 -0.431 0.000 0.722 462 K HN 0.290 nan 8.250 nan 0.000 0.446 463 I N -0.243 120.025 120.570 -0.504 0.000 2.493 463 I HA -0.204 3.944 4.170 -0.036 0.000 0.254 463 I C 1.225 177.046 176.117 -0.493 0.000 1.160 463 I CA 0.571 61.422 61.300 -0.749 0.000 1.445 463 I CB 0.164 37.544 38.000 -1.033 0.000 1.086 463 I HN -0.042 nan 8.210 nan 0.000 0.433 464 V N 2.093 121.748 119.914 -0.432 0.000 2.220 464 V HA -0.342 3.757 4.120 -0.036 0.000 0.246 464 V C 2.437 178.396 176.094 -0.225 0.000 1.049 464 V CA 2.441 64.541 62.300 -0.333 0.000 1.003 464 V CB -1.182 30.421 31.823 -0.366 0.000 0.634 464 V HN 0.632 nan 8.190 nan 0.000 0.444 465 E N 0.711 120.793 120.200 -0.196 0.000 2.187 465 E HA -0.353 3.976 4.350 -0.036 0.000 0.199 465 E C 1.949 178.496 176.600 -0.089 0.000 1.004 465 E CA 1.988 58.317 56.400 -0.118 0.000 0.813 465 E CB -0.384 29.259 29.700 -0.095 0.000 0.736 465 E HN 0.619 nan 8.360 nan 0.000 0.468 466 E N 1.390 121.517 120.200 -0.122 0.000 2.031 466 E HA -0.179 4.149 4.350 -0.036 0.000 0.193 466 E C 2.025 178.587 176.600 -0.064 0.000 0.994 466 E CA 1.996 58.355 56.400 -0.069 0.000 0.800 466 E CB -0.350 29.285 29.700 -0.110 0.000 0.752 466 E HN 0.563 nan 8.360 nan 0.000 0.447 467 I N 0.542 121.037 120.570 -0.124 0.000 2.248 467 I HA -0.280 3.868 4.170 -0.036 0.000 0.248 467 I C 2.582 178.687 176.117 -0.020 0.000 1.107 467 I CA 1.644 62.890 61.300 -0.090 0.000 1.373 467 I CB -0.533 37.389 38.000 -0.130 0.000 1.055 467 I HN 0.241 nan 8.210 nan 0.000 0.418 468 E N 1.752 121.941 120.200 -0.018 0.000 2.001 468 E HA -0.271 4.057 4.350 -0.036 0.000 0.195 468 E C 2.128 178.766 176.600 0.063 0.000 1.002 468 E CA 1.416 57.843 56.400 0.045 0.000 0.819 468 E CB 0.062 29.762 29.700 0.001 0.000 0.769 468 E HN 0.146 nan 8.360 nan 0.000 0.454 469 K N 0.593 121.008 120.400 0.024 0.000 2.189 469 K HA -0.198 4.100 4.320 -0.036 0.000 0.207 469 K C 2.128 178.755 176.600 0.046 0.000 1.046 469 K CA 1.565 57.867 56.287 0.025 0.000 0.928 469 K CB -0.120 32.392 32.500 0.019 0.000 0.720 469 K HN 0.152 nan 8.250 nan 0.000 0.458 470 R N -1.307 119.229 120.500 0.060 0.000 2.062 470 R HA -0.115 4.203 4.340 -0.036 0.000 0.231 470 R C 2.264 178.645 176.300 0.134 0.000 1.136 470 R CA 1.591 57.737 56.100 0.076 0.000 0.948 470 R CB -0.783 29.552 30.300 0.058 0.000 0.845 470 R HN 0.374 nan 8.270 nan 0.000 0.430 471 Y N 2.141 122.427 120.300 -0.023 0.000 2.040 471 Y HA -0.407 4.121 4.550 -0.036 0.000 0.275 471 Y C 2.634 178.521 175.900 -0.020 0.000 1.171 471 Y CA 1.643 59.728 58.100 -0.026 0.000 1.123 471 Y CB -0.033 38.402 38.460 -0.041 0.000 0.963 471 Y HN -0.058 nan 8.280 nan 0.000 0.493 472 K N 1.062 121.463 120.400 0.001 0.000 2.074 472 K HA -0.203 4.096 4.320 -0.036 0.000 0.209 472 K C 1.600 178.168 176.600 -0.054 0.000 1.048 472 K CA 1.760 57.980 56.287 -0.111 0.000 0.926 472 K CB -0.237 32.223 32.500 -0.068 0.000 0.713 472 K HN 0.060 nan 8.250 nan 0.000 0.444 473 K N -0.322 120.081 120.400 0.006 0.000 2.555 473 K HA 0.046 4.344 4.320 -0.036 0.000 0.193 473 K C 0.425 177.044 176.600 0.030 0.000 1.032 473 K CA 0.848 57.145 56.287 0.015 0.000 1.004 473 K CB -0.328 32.189 32.500 0.029 0.000 0.804 473 K HN 0.517 nan 8.250 nan 0.000 0.496 474 G N 2.196 111.025 108.800 0.049 0.000 2.272 474 G HA2 -0.273 3.665 3.960 -0.036 0.000 0.280 474 G HA3 -0.273 3.665 3.960 -0.036 0.000 0.280 474 G C -0.355 174.600 174.900 0.092 0.000 1.067 474 G CA 0.043 45.189 45.100 0.077 0.000 0.902 474 G HN 0.385 nan 8.290 nan 0.000 0.500 475 Q N -0.306 119.560 119.800 0.110 0.000 2.290 475 Q HA 0.364 4.683 4.340 -0.036 0.000 0.259 475 Q C -2.586 173.454 176.000 0.066 0.000 0.941 475 Q CA -1.944 53.906 55.803 0.079 0.000 0.912 475 Q CB 2.110 30.890 28.738 0.069 0.000 1.244 475 Q HN 0.145 nan 8.270 nan 0.000 0.441 476 P HA -0.012 nan 4.420 nan 0.000 0.275 476 P C -0.740 176.559 177.300 -0.001 0.000 1.276 476 P CA -0.010 63.097 63.100 0.013 0.000 0.782 476 P CB 0.504 32.213 31.700 0.016 0.000 0.851 477 V N 2.760 122.655 119.914 -0.030 0.000 3.093 477 V HA 0.836 4.934 4.120 -0.036 0.000 0.320 477 V C -0.679 175.385 176.094 -0.049 0.000 1.093 477 V CA -1.118 61.161 62.300 -0.035 0.000 1.016 477 V CB 1.921 33.715 31.823 -0.049 0.000 1.096 477 V HN 0.320 nan 8.190 nan 0.000 0.452 478 L N 2.007 123.202 121.223 -0.047 0.000 2.556 478 L HA 0.858 5.176 4.340 -0.036 0.000 0.257 478 L C -1.273 175.558 176.870 -0.065 0.000 0.955 478 L CA -0.340 54.468 54.840 -0.054 0.000 0.850 478 L CB 1.813 43.846 42.059 -0.042 0.000 1.398 478 L HN 1.063 nan 8.230 nan 0.000 0.412 479 V N 2.360 122.229 119.914 -0.075 0.000 2.735 479 V HA 0.961 5.059 4.120 -0.036 0.000 0.310 479 V C -0.208 175.836 176.094 -0.083 0.000 1.061 479 V CA 0.386 62.631 62.300 -0.093 0.000 0.913 479 V CB 1.978 33.742 31.823 -0.098 0.000 1.005 479 V HN 1.118 nan 8.190 nan 0.000 0.428 480 G N 4.106 112.852 108.800 -0.091 0.000 2.716 480 G HA2 0.541 4.480 3.960 -0.036 0.000 0.333 480 G HA3 0.541 4.480 3.960 -0.036 0.000 0.333 480 G C 0.000 174.864 174.900 -0.061 0.000 1.168 480 G CA 0.167 45.238 45.100 -0.048 0.000 1.064 480 G HN 1.141 nan 8.290 nan 0.000 0.479 481 T N -0.857 113.655 114.554 -0.069 0.000 2.847 481 T HA 0.434 4.762 4.350 -0.036 0.000 0.279 481 T C 1.463 176.120 174.700 -0.072 0.000 0.984 481 T CA 0.258 62.304 62.100 -0.091 0.000 0.988 481 T CB 1.825 70.626 68.868 -0.113 0.000 1.040 481 T HN 0.258 nan 8.240 nan 0.000 0.528 482 T N -0.330 114.167 114.554 -0.094 0.000 2.706 482 T HA 0.146 4.474 4.350 -0.036 0.000 0.255 482 T C 1.013 175.672 174.700 -0.067 0.000 1.048 482 T CA 1.057 63.112 62.100 -0.074 0.000 1.153 482 T CB -0.370 68.443 68.868 -0.091 0.000 0.865 482 T HN 0.638 nan 8.240 nan 0.000 0.414 483 S N -0.628 115.016 115.700 -0.092 0.000 2.798 483 S HA 0.542 4.990 4.470 -0.036 0.000 0.312 483 S C 1.363 175.886 174.600 -0.128 0.000 1.122 483 S CA -0.372 57.769 58.200 -0.099 0.000 0.949 483 S CB 1.096 64.243 63.200 -0.087 0.000 1.235 483 S HN 0.403 nan 8.310 nan 0.000 0.552 484 I N 0.556 121.038 120.570 -0.147 0.000 2.286 484 I HA 0.019 4.167 4.170 -0.036 0.000 0.245 484 I C 1.868 177.877 176.117 -0.180 0.000 1.104 484 I CA 1.690 62.874 61.300 -0.195 0.000 1.397 484 I CB -1.828 36.005 38.000 -0.279 0.000 1.072 484 I HN 0.909 nan 8.210 nan 0.000 0.417 485 E N 2.139 122.254 120.200 -0.141 0.000 2.000 485 E HA -0.263 4.065 4.350 -0.036 0.000 0.199 485 E C 2.209 178.726 176.600 -0.138 0.000 1.011 485 E CA 1.867 58.199 56.400 -0.113 0.000 0.836 485 E CB -0.099 29.555 29.700 -0.077 0.000 0.778 485 E HN 0.509 nan 8.360 nan 0.000 0.462 486 K N 0.461 120.764 120.400 -0.161 0.000 2.173 486 K HA -0.195 4.104 4.320 -0.036 0.000 0.207 486 K C 2.489 178.955 176.600 -0.224 0.000 1.046 486 K CA 1.578 57.726 56.287 -0.233 0.000 0.929 486 K CB -0.295 32.062 32.500 -0.239 0.000 0.720 486 K HN 0.240 nan 8.250 nan 0.000 0.453 487 S N 1.266 116.863 115.700 -0.172 0.000 2.348 487 S HA -0.229 4.219 4.470 -0.036 0.000 0.221 487 S C 2.109 176.633 174.600 -0.127 0.000 1.033 487 S CA 1.424 59.535 58.200 -0.147 0.000 1.010 487 S CB -0.252 62.860 63.200 -0.146 0.000 0.891 487 S HN 0.259 nan 8.310 nan 0.000 0.442 488 E N 1.606 121.728 120.200 -0.129 0.000 2.023 488 E HA -0.110 4.219 4.350 -0.036 0.000 0.196 488 E C 1.887 178.454 176.600 -0.056 0.000 1.003 488 E CA 1.483 57.824 56.400 -0.098 0.000 0.809 488 E CB -0.921 28.723 29.700 -0.094 0.000 0.755 488 E HN 0.455 nan 8.360 nan 0.000 0.449 489 L N 0.726 121.909 121.223 -0.067 0.000 2.089 489 L HA -0.207 4.111 4.340 -0.036 0.000 0.213 489 L C 2.477 179.392 176.870 0.074 0.000 1.079 489 L CA 1.484 56.312 54.840 -0.018 0.000 0.758 489 L CB -1.010 40.994 42.059 -0.091 0.000 0.891 489 L HN 0.333 nan 8.230 nan 0.000 0.433 490 L N -1.053 120.181 121.223 0.019 0.000 1.971 490 L HA -0.292 4.026 4.340 -0.036 0.000 0.215 490 L C 2.593 179.550 176.870 0.145 0.000 1.072 490 L CA 2.437 57.378 54.840 0.169 0.000 0.758 490 L CB -0.985 41.101 42.059 0.044 0.000 0.889 490 L HN 0.456 nan 8.230 nan 0.000 0.433 491 S N -0.769 114.978 115.700 0.077 0.000 2.351 491 S HA -0.221 4.227 4.470 -0.036 0.000 0.220 491 S C 2.178 176.898 174.600 0.200 0.000 1.035 491 S CA 1.938 60.234 58.200 0.160 0.000 1.031 491 S CB -0.331 62.845 63.200 -0.039 0.000 0.928 491 S HN 0.619 nan 8.310 nan 0.000 0.433 492 S N 0.455 116.219 115.700 0.106 0.000 2.392 492 S HA -0.185 4.263 4.470 -0.036 0.000 0.232 492 S C 1.789 176.428 174.600 0.065 0.000 1.041 492 S CA 1.780 60.027 58.200 0.078 0.000 1.026 492 S CB -0.452 62.780 63.200 0.053 0.000 0.845 492 S HN 0.469 nan 8.310 nan 0.000 0.465 493 M N 1.098 120.749 119.600 0.085 0.000 2.067 493 M HA 0.014 4.472 4.480 -0.036 0.000 0.260 493 M C 1.630 177.909 176.300 -0.034 0.000 1.069 493 M CA 1.430 56.742 55.300 0.020 0.000 1.117 493 M CB -0.739 31.868 32.600 0.011 0.000 1.334 493 M HN 0.207 nan 8.290 nan 0.000 0.407 494 L N -0.439 120.768 121.223 -0.026 0.000 2.127 494 L HA -0.228 4.091 4.340 -0.036 0.000 0.211 494 L C 2.198 178.976 176.870 -0.154 0.000 1.089 494 L CA 1.717 56.483 54.840 -0.122 0.000 0.757 494 L CB -1.430 40.509 42.059 -0.200 0.000 0.899 494 L HN 0.391 nan 8.230 nan 0.000 0.434 495 K N -0.025 120.330 120.400 -0.075 0.000 2.031 495 K HA -0.182 4.116 4.320 -0.036 0.000 0.205 495 K C 2.032 178.608 176.600 -0.040 0.000 1.049 495 K CA 0.835 57.089 56.287 -0.056 0.000 0.939 495 K CB 0.022 32.537 32.500 0.024 0.000 0.717 495 K HN -0.088 nan 8.250 nan 0.000 0.438 496 K N 1.430 121.815 120.400 -0.026 0.000 2.281 496 K HA -0.108 4.190 4.320 -0.036 0.000 0.203 496 K C 0.805 177.381 176.600 -0.039 0.000 1.046 496 K CA 1.506 57.777 56.287 -0.026 0.000 0.938 496 K CB 0.208 32.695 32.500 -0.021 0.000 0.737 496 K HN -0.041 nan 8.250 nan 0.000 0.458 497 K N -0.817 119.551 120.400 -0.055 0.000 2.438 497 K HA 0.195 4.493 4.320 -0.036 0.000 0.205 497 K C -0.450 176.119 176.600 -0.051 0.000 1.033 497 K CA 0.331 56.585 56.287 -0.055 0.000 1.089 497 K CB 0.905 33.364 32.500 -0.068 0.000 0.857 497 K HN 0.246 nan 8.250 nan 0.000 0.522 498 G N 2.742 111.507 108.800 -0.059 0.000 2.402 498 G HA2 -0.206 3.732 3.960 -0.036 0.000 0.241 498 G HA3 -0.206 3.732 3.960 -0.036 0.000 0.241 498 G C -0.443 174.423 174.900 -0.057 0.000 0.871 498 G CA -0.208 44.859 45.100 -0.055 0.000 1.232 498 G HN 0.187 nan 8.290 nan 0.000 0.369 499 I N 4.095 124.574 120.570 -0.152 0.000 2.571 499 I HA 0.288 4.437 4.170 -0.036 0.000 0.286 499 I C -1.996 173.875 176.117 -0.410 0.000 1.134 499 I CA -2.296 58.889 61.300 -0.191 0.000 1.052 499 I CB 2.108 39.969 38.000 -0.232 0.000 1.237 499 I HN 0.247 nan 8.210 nan 0.000 0.435 500 P HA 0.266 nan 4.420 nan 0.000 0.269 500 P C -0.939 176.271 177.300 -0.150 0.000 1.215 500 P CA 0.603 63.612 63.100 -0.152 0.000 0.780 500 P CB 0.735 32.421 31.700 -0.024 0.000 0.898 501 H N -1.582 117.429 119.070 -0.098 0.000 2.901 501 H HA 0.296 4.830 4.556 -0.036 0.000 0.267 501 H C -1.631 173.649 175.328 -0.079 0.000 1.434 501 H CA -0.986 54.996 56.048 -0.111 0.000 1.215 501 H CB 0.153 29.841 29.762 -0.123 0.000 1.825 501 H HN 0.547 nan 8.280 nan 0.000 0.470 502 Q N 0.931 120.684 119.800 -0.078 0.000 2.375 502 Q HA 0.693 5.011 4.340 -0.036 0.000 0.271 502 Q C -1.660 174.210 176.000 -0.216 0.000 1.074 502 Q CA -1.227 54.481 55.803 -0.159 0.000 0.808 502 Q CB 3.093 31.779 28.738 -0.087 0.000 1.327 502 Q HN 0.426 nan 8.270 nan 0.000 0.441 503 V N 3.856 123.631 119.914 -0.230 0.000 2.349 503 V HA 0.293 4.391 4.120 -0.036 0.000 0.284 503 V C -0.200 175.796 176.094 -0.163 0.000 1.014 503 V CA -0.754 61.421 62.300 -0.208 0.000 0.826 503 V CB 0.808 32.486 31.823 -0.242 0.000 1.009 503 V HN 0.747 nan 8.190 nan 0.000 0.431 504 L N 2.690 123.821 121.223 -0.153 0.000 2.494 504 L HA 0.632 4.951 4.340 -0.036 0.000 0.251 504 L C 0.430 177.204 176.870 -0.161 0.000 1.119 504 L CA -0.238 54.507 54.840 -0.159 0.000 1.026 504 L CB 0.219 42.175 42.059 -0.171 0.000 1.370 504 L HN 0.599 nan 8.230 nan 0.000 0.426 505 N N 2.493 121.095 118.700 -0.164 0.000 2.660 505 N HA 0.315 5.034 4.740 -0.036 0.000 0.316 505 N C 0.567 175.967 175.510 -0.183 0.000 1.774 505 N CA 0.045 52.996 53.050 -0.165 0.000 0.946 505 N CB 1.296 39.683 38.487 -0.167 0.000 1.322 505 N HN 0.708 nan 8.380 nan 0.000 0.492 506 A N -0.379 122.327 122.820 -0.190 0.000 2.979 506 A HA -0.288 4.010 4.320 -0.036 0.000 0.260 506 A C 1.650 179.117 177.584 -0.194 0.000 1.282 506 A CA 1.199 53.109 52.037 -0.212 0.000 0.971 506 A CB -1.655 17.232 19.000 -0.187 0.000 1.124 506 A HN 0.398 nan 8.150 nan 0.000 0.826 507 K N -1.259 119.046 120.400 -0.158 0.000 1.971 507 K HA -0.044 4.255 4.320 -0.036 0.000 0.221 507 K C 0.843 177.435 176.600 -0.013 0.000 1.050 507 K CA 2.111 58.336 56.287 -0.103 0.000 0.967 507 K CB -0.107 32.343 32.500 -0.082 0.000 0.733 507 K HN 0.816 nan 8.250 nan 0.000 0.445 508 Y N -0.681 119.514 120.300 -0.175 0.000 2.553 508 Y HA 0.122 4.650 4.550 -0.036 0.000 0.347 508 Y C 1.682 177.470 175.900 -0.186 0.000 1.019 508 Y CA -0.985 57.037 58.100 -0.129 0.000 1.032 508 Y CB 1.526 39.963 38.460 -0.038 0.000 1.284 508 Y HN 0.195 nan 8.280 nan 0.000 0.466 509 H N 1.480 120.441 119.070 -0.182 0.000 2.326 509 H HA -0.166 4.369 4.556 -0.036 0.000 0.301 509 H C 1.572 176.640 175.328 -0.433 0.000 1.081 509 H CA 1.800 57.664 56.048 -0.305 0.000 1.334 509 H CB 0.142 29.757 29.762 -0.245 0.000 1.385 509 H HN 0.793 nan 8.280 nan 0.000 0.504 510 E N 1.904 121.745 120.200 -0.598 0.000 2.147 510 E HA -0.208 4.120 4.350 -0.036 0.000 0.199 510 E C 1.929 178.375 176.600 -0.256 0.000 1.005 510 E CA 1.236 57.375 56.400 -0.435 0.000 0.810 510 E CB 0.092 29.465 29.700 -0.545 0.000 0.736 510 E HN 0.401 nan 8.360 nan 0.000 0.460 511 K N 0.335 120.602 120.400 -0.220 0.000 2.020 511 K HA -0.241 4.057 4.320 -0.036 0.000 0.212 511 K C 2.244 178.728 176.600 -0.193 0.000 1.050 511 K CA 1.723 57.924 56.287 -0.144 0.000 0.929 511 K CB -0.281 32.159 32.500 -0.100 0.000 0.714 511 K HN 0.217 nan 8.250 nan 0.000 0.443 512 E N 0.353 120.390 120.200 -0.273 0.000 2.219 512 E HA -0.241 4.087 4.350 -0.036 0.000 0.198 512 E C 1.751 178.138 176.600 -0.355 0.000 0.998 512 E CA 1.103 57.253 56.400 -0.416 0.000 0.818 512 E CB 0.022 29.339 29.700 -0.639 0.000 0.741 512 E HN 0.373 nan 8.360 nan 0.000 0.477 513 A N 1.136 123.824 122.820 -0.221 0.000 1.826 513 A HA -0.169 4.129 4.320 -0.036 0.000 0.214 513 A C 1.963 179.504 177.584 -0.071 0.000 1.212 513 A CA 1.254 53.231 52.037 -0.100 0.000 0.605 513 A CB -0.509 18.442 19.000 -0.083 0.000 0.861 513 A HN 0.169 nan 8.150 nan 0.000 0.447 514 E N 0.450 120.601 120.200 -0.082 0.000 2.068 514 E HA -0.279 4.050 4.350 -0.036 0.000 0.207 514 E C 1.927 178.494 176.600 -0.054 0.000 1.032 514 E CA 1.921 58.285 56.400 -0.059 0.000 0.839 514 E CB -1.020 28.645 29.700 -0.059 0.000 0.758 514 E HN 0.833 nan 8.360 nan 0.000 0.457 515 I N -0.586 119.938 120.570 -0.077 0.000 2.399 515 I HA -0.215 3.933 4.170 -0.036 0.000 0.254 515 I C 2.285 178.371 176.117 -0.050 0.000 1.146 515 I CA 0.879 62.135 61.300 -0.073 0.000 1.412 515 I CB -0.928 37.008 38.000 -0.106 0.000 1.076 515 I HN -0.167 nan 8.210 nan 0.000 0.432 516 V N 1.746 121.637 119.914 -0.038 0.000 2.222 516 V HA -0.404 3.695 4.120 -0.036 0.000 0.252 516 V C 2.791 178.892 176.094 0.012 0.000 1.060 516 V CA 2.828 65.142 62.300 0.023 0.000 1.027 516 V CB -1.403 30.466 31.823 0.077 0.000 0.644 516 V HN 0.724 nan 8.190 nan 0.000 0.448 517 A N -1.632 121.191 122.820 0.006 0.000 2.147 517 A HA 0.016 4.315 4.320 -0.036 0.000 0.211 517 A C 2.069 179.649 177.584 -0.005 0.000 1.160 517 A CA 0.721 52.761 52.037 0.005 0.000 0.781 517 A CB -0.226 18.779 19.000 0.008 0.000 0.842 517 A HN 0.477 nan 8.150 nan 0.000 0.475 518 K N 0.496 120.887 120.400 -0.016 0.000 2.476 518 K HA 0.318 4.617 4.320 -0.036 0.000 0.196 518 K C 0.063 176.647 176.600 -0.025 0.000 1.025 518 K CA 0.344 56.619 56.287 -0.020 0.000 1.138 518 K CB -0.138 32.347 32.500 -0.026 0.000 0.860 518 K HN 0.324 nan 8.250 nan 0.000 0.515 519 A N 0.531 123.336 122.820 -0.025 0.000 2.412 519 A HA 0.528 4.826 4.320 -0.036 0.000 0.334 519 A C 0.207 177.779 177.584 -0.020 0.000 1.419 519 A CA -0.083 51.936 52.037 -0.030 0.000 0.930 519 A CB 0.341 19.319 19.000 -0.037 0.000 1.149 519 A HN 0.315 nan 8.150 nan 0.000 0.515 520 G N 1.784 110.573 108.800 -0.019 0.000 2.683 520 G HA2 -0.100 3.838 3.960 -0.036 0.000 0.234 520 G HA3 -0.100 3.838 3.960 -0.036 0.000 0.234 520 G C -0.380 174.520 174.900 0.001 0.000 1.135 520 G CA -0.571 44.524 45.100 -0.009 0.000 0.975 520 G HN 0.637 nan 8.290 nan 0.000 0.511 521 Q N 0.865 120.667 119.800 0.002 0.000 2.842 521 Q HA 0.336 4.654 4.340 -0.036 0.000 0.323 521 Q C 0.440 176.453 176.000 0.021 0.000 1.111 521 Q CA -0.283 55.527 55.803 0.011 0.000 1.047 521 Q CB 0.805 29.547 28.738 0.007 0.000 1.280 521 Q HN 0.792 nan 8.270 nan 0.000 0.475 522 K N -0.223 120.193 120.400 0.026 0.000 6.691 522 K HA -0.242 4.056 4.320 -0.036 0.000 0.741 522 K C 0.687 177.323 176.600 0.060 0.000 2.096 522 K CA 0.704 57.015 56.287 0.040 0.000 1.671 522 K CB -0.764 31.758 32.500 0.038 0.000 1.891 522 K HN 0.799 nan 8.250 nan 0.000 0.314 523 G N 2.796 111.642 108.800 0.076 0.000 2.270 523 G HA2 -0.402 3.537 3.960 -0.036 0.000 0.268 523 G HA3 -0.402 3.537 3.960 -0.036 0.000 0.268 523 G C 0.304 175.231 174.900 0.045 0.000 0.982 523 G CA 0.875 46.058 45.100 0.137 0.000 0.628 523 G HN 0.854 nan 8.290 nan 0.000 0.544 524 M N 1.084 120.687 119.600 0.004 0.000 2.234 524 M HA 0.436 4.894 4.480 -0.036 0.000 0.326 524 M C 0.117 176.344 176.300 -0.122 0.000 1.077 524 M CA 0.361 55.628 55.300 -0.055 0.000 1.052 524 M CB 0.827 33.411 32.600 -0.026 0.000 1.607 524 M HN 0.304 nan 8.290 nan 0.000 0.445 525 V N 5.209 125.024 119.914 -0.165 0.000 2.407 525 V HA 0.599 4.697 4.120 -0.036 0.000 0.291 525 V C -0.466 175.587 176.094 -0.069 0.000 1.018 525 V CA -0.569 61.632 62.300 -0.164 0.000 0.842 525 V CB 1.519 33.171 31.823 -0.286 0.000 0.996 525 V HN 0.971 nan 8.190 nan 0.000 0.426 526 T N 6.163 120.678 114.554 -0.065 0.000 2.881 526 T HA 0.586 4.914 4.350 -0.036 0.000 0.290 526 T C -0.771 173.888 174.700 -0.068 0.000 1.000 526 T CA -0.357 61.706 62.100 -0.062 0.000 0.978 526 T CB 2.074 70.904 68.868 -0.063 0.000 0.997 526 T HN 0.491 nan 8.240 nan 0.000 0.443 527 I N 2.460 122.979 120.570 -0.086 0.000 2.509 527 I HA 0.833 4.982 4.170 -0.036 0.000 0.293 527 I C -1.099 174.954 176.117 -0.107 0.000 1.020 527 I CA -0.687 60.559 61.300 -0.090 0.000 1.088 527 I CB 0.997 38.947 38.000 -0.084 0.000 1.267 527 I HN 0.889 nan 8.210 nan 0.000 0.430 528 A N 4.791 127.554 122.820 -0.096 0.000 2.602 528 A HA 0.736 5.035 4.320 -0.036 0.000 0.290 528 A C -0.674 176.857 177.584 -0.087 0.000 1.114 528 A CA -0.504 51.472 52.037 -0.101 0.000 0.683 528 A CB 1.383 20.325 19.000 -0.097 0.000 1.281 528 A HN 0.631 nan 8.150 nan 0.000 0.416 529 T N 1.764 116.262 114.554 -0.092 0.000 2.913 529 T HA 0.229 4.557 4.350 -0.036 0.000 0.287 529 T C 1.676 176.350 174.700 -0.044 0.000 1.008 529 T CA 0.097 62.154 62.100 -0.073 0.000 1.067 529 T CB 0.696 69.509 68.868 -0.092 0.000 0.996 529 T HN 0.815 nan 8.240 nan 0.000 0.513 530 N N 2.640 121.339 118.700 -0.001 0.000 2.247 530 N HA -0.241 4.477 4.740 -0.036 0.000 0.189 530 N C 1.631 177.116 175.510 -0.041 0.000 1.009 530 N CA 1.593 54.653 53.050 0.016 0.000 0.872 530 N CB -0.696 37.839 38.487 0.081 0.000 0.980 530 N HN 0.865 nan 8.380 nan 0.000 0.436 531 M N -2.727 116.838 119.600 -0.058 0.000 2.706 531 M HA 0.275 4.733 4.480 -0.036 0.000 0.251 531 M C 1.255 177.520 176.300 -0.059 0.000 1.070 531 M CA 1.534 56.790 55.300 -0.073 0.000 1.073 531 M CB 0.100 32.648 32.600 -0.086 0.000 1.449 531 M HN 0.184 nan 8.290 nan 0.000 0.531 532 A N 0.084 122.870 122.820 -0.056 0.000 2.653 532 A HA 0.527 4.826 4.320 -0.036 0.000 0.248 532 A C 1.409 178.978 177.584 -0.025 0.000 1.211 532 A CA 0.065 52.075 52.037 -0.044 0.000 0.991 532 A CB 0.084 19.022 19.000 -0.104 0.000 1.252 532 A HN 0.535 nan 8.150 nan 0.000 0.593 533 G N 0.285 109.066 108.800 -0.031 0.000 4.291 533 G HA2 0.463 4.402 3.960 -0.036 0.000 0.304 533 G HA3 0.463 4.402 3.960 -0.036 0.000 0.304 533 G C -0.011 174.870 174.900 -0.031 0.000 1.264 533 G CA -0.299 44.787 45.100 -0.023 0.000 1.039 533 G HN 0.193 nan 8.290 nan 0.000 0.578 534 R N 0.561 121.037 120.500 -0.041 0.000 2.521 534 R HA 0.480 4.798 4.340 -0.036 0.000 0.295 534 R C 0.128 176.390 176.300 -0.063 0.000 1.183 534 R CA -0.313 55.750 56.100 -0.062 0.000 0.957 534 R CB 1.681 31.930 30.300 -0.085 0.000 1.171 534 R HN 0.435 nan 8.270 nan 0.000 0.494 535 G N 2.154 110.914 108.800 -0.066 0.000 3.347 535 G HA2 -0.232 3.706 3.960 -0.036 0.000 0.597 535 G HA3 -0.232 3.706 3.960 -0.036 0.000 0.597 535 G C -0.497 174.341 174.900 -0.104 0.000 0.831 535 G CA -0.118 44.930 45.100 -0.087 0.000 0.778 535 G HN 0.494 nan 8.290 nan 0.000 0.459 536 T N 2.037 116.516 114.554 -0.125 0.000 3.289 536 T HA 0.364 4.693 4.350 -0.036 0.000 0.370 536 T C -0.013 174.569 174.700 -0.198 0.000 1.546 536 T CA -0.065 61.942 62.100 -0.155 0.000 1.144 536 T CB 1.246 70.075 68.868 -0.065 0.000 1.379 536 T HN 0.918 nan 8.240 nan 0.000 0.478 537 D N 2.083 122.294 120.400 -0.315 0.000 2.826 537 D HA 0.084 4.702 4.640 -0.036 0.000 0.247 537 D C 0.598 176.749 176.300 -0.249 0.000 1.238 537 D CA -0.293 53.467 54.000 -0.400 0.000 0.894 537 D CB -0.908 39.396 40.800 -0.828 0.000 1.100 537 D HN 0.486 nan 8.370 nan 0.000 0.453 538 I N -0.178 120.308 120.570 -0.140 0.000 3.205 538 I HA -0.040 4.109 4.170 -0.036 0.000 0.287 538 I C 1.523 177.610 176.117 -0.052 0.000 1.266 538 I CA 0.608 61.865 61.300 -0.071 0.000 1.378 538 I CB 0.240 38.214 38.000 -0.043 0.000 1.347 538 I HN -0.006 nan 8.210 nan 0.000 0.603 539 K N 2.338 122.728 120.400 -0.017 0.000 1.707 539 K HA 0.860 5.158 4.320 -0.036 0.000 0.288 539 K C -1.725 174.882 176.600 0.011 0.000 0.837 539 K CA -0.773 55.517 56.287 0.005 0.000 0.495 539 K CB 1.241 33.757 32.500 0.027 0.000 2.907 539 K HN 0.426 nan 8.250 nan 0.000 1.026 540 L N -2.643 118.592 121.223 0.020 0.000 2.789 540 L HA 0.480 4.799 4.340 -0.036 0.000 0.254 540 L C -0.173 176.710 176.870 0.022 0.000 0.952 540 L CA -0.893 53.959 54.840 0.019 0.000 0.942 540 L CB 0.697 42.768 42.059 0.021 0.000 1.502 540 L HN 0.594 nan 8.230 nan 0.000 0.425 541 G N 0.573 109.385 108.800 0.020 0.000 2.913 541 G HA2 0.492 4.430 3.960 -0.036 0.000 0.145 541 G HA3 0.492 4.430 3.960 -0.036 0.000 0.145 541 G C -1.707 173.206 174.900 0.021 0.000 1.801 541 G CA 0.392 45.504 45.100 0.019 0.000 1.033 541 G HN 0.791 nan 8.290 nan 0.000 0.495 542 P HA -0.061 nan 4.420 nan 0.000 0.299 542 P C 1.666 178.980 177.300 0.024 0.000 1.423 542 P CA 1.068 64.181 63.100 0.021 0.000 0.867 542 P CB -0.636 31.075 31.700 0.019 0.000 1.610 543 G N -1.196 107.618 108.800 0.023 0.000 2.475 543 G HA2 -0.234 3.704 3.960 -0.036 0.000 0.220 543 G HA3 -0.234 3.704 3.960 -0.036 0.000 0.220 543 G C 1.381 176.298 174.900 0.027 0.000 1.125 543 G CA 1.743 46.858 45.100 0.025 0.000 0.755 543 G HN 0.335 nan 8.290 nan 0.000 0.565 544 V N 1.147 121.077 119.914 0.027 0.000 0.750 544 V HA -0.467 3.632 4.120 -0.036 0.000 0.094 544 V C 2.841 178.954 176.094 0.032 0.000 1.079 544 V CA 3.147 65.465 62.300 0.029 0.000 3.119 544 V CB -1.795 30.044 31.823 0.027 0.000 0.411 544 V HN 0.850 nan 8.190 nan 0.000 0.336 545 A N -0.730 122.109 122.820 0.032 0.000 2.272 545 A HA -0.181 4.117 4.320 -0.036 0.000 0.213 545 A C 1.670 179.274 177.584 0.034 0.000 1.183 545 A CA 1.947 54.004 52.037 0.034 0.000 0.719 545 A CB -0.715 18.306 19.000 0.035 0.000 0.771 545 A HN 0.789 nan 8.150 nan 0.000 0.484 546 E N -0.558 119.661 120.200 0.032 0.000 2.200 546 E HA -0.182 4.146 4.350 -0.036 0.000 0.211 546 E C 0.193 176.811 176.600 0.031 0.000 1.048 546 E CA 1.421 57.839 56.400 0.029 0.000 0.851 546 E CB -0.168 29.549 29.700 0.027 0.000 0.747 546 E HN 0.646 nan 8.360 nan 0.000 0.462 547 L N -2.239 119.005 121.223 0.034 0.000 2.476 547 L HA 0.405 4.724 4.340 -0.036 0.000 0.269 547 L C 0.893 177.790 176.870 0.044 0.000 0.965 547 L CA -0.197 54.666 54.840 0.038 0.000 0.845 547 L CB 2.048 44.129 42.059 0.036 0.000 1.259 547 L HN 0.320 nan 8.230 nan 0.000 0.403 548 G N 2.014 110.842 108.800 0.047 0.000 2.708 548 G HA2 -0.242 3.696 3.960 -0.036 0.000 0.229 548 G HA3 -0.242 3.696 3.960 -0.036 0.000 0.229 548 G C 0.944 175.872 174.900 0.047 0.000 1.236 548 G CA 0.555 45.688 45.100 0.055 0.000 0.749 548 G HN 1.585 nan 8.290 nan 0.000 0.515 549 G N -0.438 108.388 108.800 0.043 0.000 3.079 549 G HA2 -0.055 3.884 3.960 -0.036 0.000 0.214 549 G HA3 -0.055 3.884 3.960 -0.036 0.000 0.214 549 G C 0.245 175.166 174.900 0.035 0.000 1.335 549 G CA 0.986 46.108 45.100 0.038 0.000 0.822 549 G HN 1.879 nan 8.290 nan 0.000 0.545 550 L N 0.500 121.746 121.223 0.038 0.000 2.506 550 L HA 0.644 4.962 4.340 -0.036 0.000 0.257 550 L C -0.976 175.919 176.870 0.042 0.000 0.964 550 L CA -0.816 54.044 54.840 0.033 0.000 0.836 550 L CB 2.142 44.216 42.059 0.025 0.000 1.384 550 L HN 0.678 nan 8.230 nan 0.000 0.410 551 C N 3.913 123.235 119.300 0.037 0.000 2.441 551 C HA 0.732 5.170 4.460 -0.036 0.000 0.318 551 C C -0.642 174.366 174.990 0.030 0.000 1.222 551 C CA -0.956 58.091 59.018 0.049 0.000 1.474 551 C CB 0.827 28.597 27.740 0.051 0.000 2.125 551 C HN 0.423 nan 8.230 nan 0.000 0.479 552 I N 3.954 124.549 120.570 0.042 0.000 2.468 552 I HA 0.430 4.578 4.170 -0.036 0.000 0.285 552 I C -0.197 175.913 176.117 -0.011 0.000 1.039 552 I CA -0.907 60.396 61.300 0.005 0.000 1.074 552 I CB 1.566 39.574 38.000 0.013 0.000 1.228 552 I HN 0.753 nan 8.210 nan 0.000 0.436 553 I N 2.906 123.438 120.570 -0.064 0.000 2.354 553 I HA 0.695 4.843 4.170 -0.036 0.000 0.286 553 I C 0.553 176.533 176.117 -0.228 0.000 1.007 553 I CA -0.631 60.618 61.300 -0.085 0.000 1.167 553 I CB 1.590 39.506 38.000 -0.139 0.000 1.320 553 I HN 0.548 nan 8.210 nan 0.000 0.458 554 G N 3.415 111.933 108.800 -0.469 0.000 2.353 554 G HA2 0.353 4.291 3.960 -0.036 0.000 0.284 554 G HA3 0.353 4.291 3.960 -0.036 0.000 0.284 554 G C 0.549 175.291 174.900 -0.264 0.000 1.172 554 G CA -0.379 44.325 45.100 -0.659 0.000 0.854 554 G HN 0.721 nan 8.290 nan 0.000 0.485 555 T N 1.098 115.557 114.554 -0.159 0.000 3.118 555 T HA 0.141 4.470 4.350 -0.036 0.000 0.260 555 T C 0.546 175.247 174.700 0.002 0.000 1.139 555 T CA 1.127 63.189 62.100 -0.062 0.000 1.085 555 T CB -0.504 68.306 68.868 -0.096 0.000 0.934 555 T HN 0.882 nan 8.240 nan 0.000 0.518 556 E N -0.400 119.818 120.200 0.031 0.000 2.077 556 E HA 0.160 4.488 4.350 -0.036 0.000 0.253 556 E C -1.738 174.956 176.600 0.156 0.000 1.569 556 E CA -1.150 55.313 56.400 0.105 0.000 0.978 556 E CB 0.452 30.149 29.700 -0.004 0.000 1.515 556 E HN 0.009 nan 8.360 nan 0.000 0.476 557 R N 0.921 121.470 120.500 0.081 0.000 2.288 557 R HA 0.404 4.722 4.340 -0.036 0.000 0.326 557 R C -0.557 175.735 176.300 -0.013 0.000 0.959 557 R CA -0.676 55.456 56.100 0.053 0.000 0.834 557 R CB 0.634 30.951 30.300 0.028 0.000 1.157 557 R HN 0.403 nan 8.270 nan 0.000 0.470 558 H N 0.758 119.884 119.070 0.093 0.000 2.572 558 H HA -0.131 4.404 4.556 -0.036 0.000 0.390 558 H C 0.937 176.293 175.328 0.048 0.000 1.911 558 H CA 0.345 56.426 56.048 0.055 0.000 1.451 558 H CB 0.556 30.343 29.762 0.043 0.000 1.568 558 H HN 0.608 nan 8.280 nan 0.000 0.566 559 E N -0.513 119.806 120.200 0.198 0.000 2.485 559 E HA 0.141 4.470 4.350 -0.036 0.000 0.194 559 E C -0.555 176.118 176.600 0.120 0.000 1.098 559 E CA 0.112 56.602 56.400 0.149 0.000 0.878 559 E CB 0.272 30.058 29.700 0.143 0.000 0.939 559 E HN 0.297 nan 8.360 nan 0.000 0.503 560 S N -0.587 115.178 115.700 0.109 0.000 2.535 560 S HA 0.260 4.708 4.470 -0.036 0.000 0.272 560 S C -0.137 174.483 174.600 0.032 0.000 1.149 560 S CA -0.957 57.275 58.200 0.053 0.000 0.888 560 S CB 1.732 64.940 63.200 0.013 0.000 1.110 560 S HN 0.071 nan 8.310 nan 0.000 0.463 561 R N 1.963 122.467 120.500 0.006 0.000 2.080 561 R HA 0.039 4.358 4.340 -0.036 0.000 0.236 561 R C 2.054 178.329 176.300 -0.041 0.000 1.137 561 R CA 1.897 57.985 56.100 -0.021 0.000 0.943 561 R CB -0.276 30.008 30.300 -0.028 0.000 0.846 561 R HN 0.652 nan 8.270 nan 0.000 0.431 562 R N -0.196 120.272 120.500 -0.052 0.000 2.082 562 R HA -0.088 4.230 4.340 -0.036 0.000 0.234 562 R C 2.419 178.666 176.300 -0.088 0.000 1.136 562 R CA 2.026 58.084 56.100 -0.070 0.000 0.935 562 R CB -0.700 29.551 30.300 -0.082 0.000 0.842 562 R HN 0.249 nan 8.270 nan 0.000 0.430 563 I N 1.037 121.535 120.570 -0.120 0.000 2.145 563 I HA -0.344 3.804 4.170 -0.036 0.000 0.244 563 I C 2.123 178.067 176.117 -0.289 0.000 1.075 563 I CA 1.469 62.618 61.300 -0.253 0.000 1.332 563 I CB -0.520 37.291 38.000 -0.315 0.000 1.033 563 I HN 0.200 nan 8.210 nan 0.000 0.410 564 D N 1.133 121.512 120.400 -0.034 0.000 2.103 564 D HA -0.209 4.410 4.640 -0.036 0.000 0.190 564 D C 1.981 178.355 176.300 0.123 0.000 0.997 564 D CA 1.433 55.569 54.000 0.226 0.000 0.833 564 D CB -0.259 40.580 40.800 0.065 0.000 0.961 564 D HN 0.195 nan 8.370 nan 0.000 0.447 565 N N 0.030 118.730 118.700 -0.001 0.000 2.149 565 N HA -0.139 4.580 4.740 -0.036 0.000 0.188 565 N C 1.830 177.360 175.510 0.032 0.000 1.019 565 N CA 0.730 53.784 53.050 0.006 0.000 0.857 565 N CB -0.100 38.366 38.487 -0.035 0.000 0.997 565 N HN 0.441 nan 8.380 nan 0.000 0.426 566 Q N 0.941 120.729 119.800 -0.020 0.000 1.975 566 Q HA -0.163 4.155 4.340 -0.036 0.000 0.205 566 Q C 2.310 178.313 176.000 0.006 0.000 0.990 566 Q CA 1.023 56.804 55.803 -0.037 0.000 0.845 566 Q CB -0.583 28.095 28.738 -0.099 0.000 0.913 566 Q HN 0.363 nan 8.270 nan 0.000 0.420 567 L N 0.820 122.055 121.223 0.020 0.000 2.103 567 L HA -0.308 4.010 4.340 -0.036 0.000 0.215 567 L C 2.766 179.709 176.870 0.123 0.000 1.080 567 L CA 1.709 56.603 54.840 0.091 0.000 0.764 567 L CB -0.213 41.993 42.059 0.246 0.000 0.890 567 L HN 0.185 nan 8.230 nan 0.000 0.435 568 R N -0.448 120.173 120.500 0.201 0.000 2.055 568 R HA -0.118 4.200 4.340 -0.036 0.000 0.228 568 R C 2.168 178.524 176.300 0.092 0.000 1.143 568 R CA 1.371 57.588 56.100 0.195 0.000 0.945 568 R CB -0.845 29.627 30.300 0.287 0.000 0.841 568 R HN 0.462 nan 8.270 nan 0.000 0.429 569 G N 0.682 109.519 108.800 0.061 0.000 2.568 569 G HA2 -0.265 3.673 3.960 -0.036 0.000 0.220 569 G HA3 -0.265 3.673 3.960 -0.036 0.000 0.220 569 G C 1.083 175.989 174.900 0.009 0.000 1.104 569 G CA 0.414 45.528 45.100 0.024 0.000 0.738 569 G HN 0.244 nan 8.290 nan 0.000 0.574 570 R N 0.337 120.843 120.500 0.011 0.000 2.369 570 R HA 0.257 4.576 4.340 -0.036 0.000 0.200 570 R C 1.046 177.345 176.300 -0.003 0.000 1.046 570 R CA 0.241 56.337 56.100 -0.006 0.000 1.057 570 R CB -0.374 29.922 30.300 -0.007 0.000 0.888 570 R HN 0.244 nan 8.270 nan 0.000 0.474 571 A N -0.187 122.639 122.820 0.010 0.000 3.064 571 A HA 0.656 4.954 4.320 -0.036 0.000 0.339 571 A C -0.172 177.420 177.584 0.014 0.000 1.078 571 A CA -0.092 51.953 52.037 0.013 0.000 0.869 571 A CB 0.212 19.227 19.000 0.025 0.000 1.067 571 A HN 0.141 nan 8.150 nan 0.000 0.480 572 G N 1.930 110.735 108.800 0.007 0.000 2.348 572 G HA2 0.345 4.283 3.960 -0.036 0.000 0.196 572 G HA3 0.345 4.283 3.960 -0.036 0.000 0.196 572 G C -0.917 173.990 174.900 0.011 0.000 2.862 572 G CA -0.931 44.178 45.100 0.014 0.000 0.802 572 G HN 0.473 nan 8.290 nan 0.000 0.500 573 R N 1.170 121.679 120.500 0.015 0.000 2.888 573 R HA 0.697 5.015 4.340 -0.036 0.000 0.266 573 R C 0.842 177.176 176.300 0.055 0.000 1.020 573 R CA -0.637 55.469 56.100 0.011 0.000 0.963 573 R CB 1.633 31.911 30.300 -0.036 0.000 1.197 573 R HN 0.706 nan 8.270 nan 0.000 0.481 574 Q N -0.202 119.646 119.800 0.080 0.000 2.281 574 Q HA -0.264 4.054 4.340 -0.036 0.000 0.148 574 Q C 0.087 176.260 176.000 0.288 0.000 1.069 574 Q CA 2.002 57.890 55.803 0.141 0.000 1.297 574 Q CB -0.804 27.984 28.738 0.084 0.000 1.268 574 Q HN 1.172 nan 8.270 nan 0.000 0.952 575 G N 0.991 109.903 108.800 0.186 0.000 2.610 575 G HA2 -0.052 3.887 3.960 -0.036 0.000 0.136 575 G HA3 -0.052 3.887 3.960 -0.036 0.000 0.136 575 G C -0.768 174.197 174.900 0.109 0.000 1.070 575 G CA 0.053 45.248 45.100 0.159 0.000 0.812 575 G HN 0.575 nan 8.290 nan 0.000 0.495 576 D N -0.268 120.179 120.400 0.079 0.000 2.374 576 D HA 0.737 5.355 4.640 -0.036 0.000 0.239 576 D C -2.182 174.144 176.300 0.043 0.000 0.991 576 D CA -1.649 52.387 54.000 0.061 0.000 0.960 576 D CB 2.463 43.297 40.800 0.057 0.000 1.284 576 D HN 0.149 nan 8.370 nan 0.000 0.512 577 P HA 0.453 nan 4.420 nan 0.000 0.302 577 P C 0.153 177.469 177.300 0.028 0.000 1.301 577 P CA 0.043 63.160 63.100 0.029 0.000 0.745 577 P CB 0.601 32.319 31.700 0.029 0.000 1.331 578 G N -1.558 107.257 108.800 0.025 0.000 2.324 578 G HA2 0.338 4.277 3.960 -0.036 0.000 0.293 578 G HA3 0.338 4.277 3.960 -0.036 0.000 0.293 578 G C -2.113 172.804 174.900 0.028 0.000 1.297 578 G CA -0.593 44.525 45.100 0.029 0.000 0.853 578 G HN 0.488 nan 8.290 nan 0.000 0.535 579 E N -0.606 119.620 120.200 0.043 0.000 2.304 579 E HA 0.582 4.910 4.350 -0.036 0.000 0.277 579 E C -0.818 175.832 176.600 0.084 0.000 0.898 579 E CA -0.751 55.684 56.400 0.057 0.000 0.764 579 E CB 2.264 32.037 29.700 0.123 0.000 1.216 579 E HN 0.806 nan 8.360 nan 0.000 0.419 580 S N 2.189 117.939 115.700 0.083 0.000 2.570 580 S HA 0.859 5.307 4.470 -0.036 0.000 0.286 580 S C -0.902 173.838 174.600 0.233 0.000 1.099 580 S CA -0.756 57.531 58.200 0.145 0.000 0.913 580 S CB 1.862 65.158 63.200 0.159 0.000 1.085 580 S HN 0.438 nan 8.310 nan 0.000 0.480 581 I N 0.901 121.623 120.570 0.255 0.000 2.743 581 I HA 0.691 4.839 4.170 -0.036 0.000 0.292 581 I C -2.424 173.838 176.117 0.241 0.000 1.343 581 I CA -0.891 60.582 61.300 0.289 0.000 1.038 581 I CB 1.683 39.850 38.000 0.279 0.000 1.311 581 I HN 0.757 nan 8.210 nan 0.000 0.426 582 F N 7.043 127.021 119.950 0.048 0.000 2.458 582 F HA 0.632 5.137 4.527 -0.036 0.000 0.336 582 F C -0.845 174.958 175.800 0.005 0.000 1.114 582 F CA -0.336 57.735 58.000 0.118 0.000 0.987 582 F CB 1.553 40.595 39.000 0.070 0.000 1.130 582 F HN 0.124 nan 8.300 nan 0.000 0.458 583 F N 4.643 124.709 119.950 0.194 0.000 2.402 583 F HA 0.603 5.109 4.527 -0.036 0.000 0.355 583 F C -0.516 175.426 175.800 0.237 0.000 1.123 583 F CA -0.923 57.232 58.000 0.259 0.000 1.021 583 F CB 0.931 40.019 39.000 0.146 0.000 1.160 583 F HN 0.102 nan 8.300 nan 0.000 0.451 584 L N 2.180 123.633 121.223 0.384 0.000 2.362 584 L HA 0.666 4.985 4.340 -0.036 0.000 0.271 584 L C -0.117 176.918 176.870 0.275 0.000 1.002 584 L CA -0.813 54.184 54.840 0.262 0.000 0.818 584 L CB 2.221 44.377 42.059 0.163 0.000 1.298 584 L HN 0.504 nan 8.230 nan 0.000 0.420 585 S N 1.210 117.029 115.700 0.198 0.000 2.502 585 S HA 0.482 4.930 4.470 -0.036 0.000 0.304 585 S C 0.392 175.056 174.600 0.105 0.000 1.097 585 S CA -0.624 57.683 58.200 0.178 0.000 1.045 585 S CB 1.140 64.435 63.200 0.158 0.000 1.019 585 S HN 0.531 nan 8.310 nan 0.000 0.481 586 L N 3.928 125.204 121.223 0.089 0.000 2.749 586 L HA 0.228 4.547 4.340 -0.036 0.000 0.245 586 L C 1.213 178.112 176.870 0.048 0.000 1.156 586 L CA 0.901 55.776 54.840 0.057 0.000 0.890 586 L CB -0.370 41.717 42.059 0.047 0.000 1.036 586 L HN 0.591 nan 8.230 nan 0.000 0.441 587 E N -1.602 118.629 120.200 0.053 0.000 2.921 587 E HA 0.089 4.417 4.350 -0.036 0.000 0.203 587 E C 0.214 176.828 176.600 0.023 0.000 0.975 587 E CA -0.007 56.413 56.400 0.034 0.000 1.225 587 E CB 0.379 30.101 29.700 0.036 0.000 1.048 587 E HN 0.258 nan 8.360 nan 0.000 0.477 588 D N 1.325 121.742 120.400 0.029 0.000 1.711 588 D HA -0.045 4.573 4.640 -0.036 0.000 0.300 588 D C 0.906 177.193 176.300 -0.022 0.000 1.097 588 D CA 1.037 55.044 54.000 0.012 0.000 0.964 588 D CB 0.480 41.297 40.800 0.028 0.000 1.518 588 D HN 0.052 nan 8.370 nan 0.000 0.541 589 D N -1.786 118.592 120.400 -0.037 0.000 2.410 589 D HA 0.034 4.652 4.640 -0.036 0.000 0.218 589 D C 2.220 178.456 176.300 -0.107 0.000 1.359 589 D CA 0.075 54.026 54.000 -0.082 0.000 1.348 589 D CB 0.068 40.812 40.800 -0.093 0.000 1.797 589 D HN 0.072 nan 8.370 nan 0.000 0.409 590 L N 1.187 122.369 121.223 -0.068 0.000 2.123 590 L HA -0.202 4.116 4.340 -0.036 0.000 0.217 590 L C 2.065 178.944 176.870 0.015 0.000 1.081 590 L CA 1.731 56.551 54.840 -0.033 0.000 0.772 590 L CB -1.065 41.007 42.059 0.021 0.000 0.890 590 L HN 0.123 nan 8.230 nan 0.000 0.437 591 L N -4.248 116.989 121.223 0.023 0.000 2.858 591 L HA 0.344 4.663 4.340 -0.036 0.000 0.251 591 L C 2.117 179.011 176.870 0.040 0.000 1.149 591 L CA 0.362 55.242 54.840 0.066 0.000 0.955 591 L CB -0.318 41.778 42.059 0.063 0.000 1.289 591 L HN -0.043 nan 8.230 nan 0.000 0.542 592 R N 1.083 121.577 120.500 -0.010 0.000 2.148 592 R HA 0.095 4.414 4.340 -0.036 0.000 0.227 592 R C 1.274 177.569 176.300 -0.008 0.000 1.103 592 R CA 1.898 57.988 56.100 -0.016 0.000 0.983 592 R CB 0.043 30.316 30.300 -0.045 0.000 0.874 592 R HN 0.592 nan 8.270 nan 0.000 0.451 593 I N -1.437 119.119 120.570 -0.022 0.000 4.526 593 I HA 0.153 4.301 4.170 -0.036 0.000 0.330 593 I C -0.575 175.760 176.117 0.363 0.000 1.323 593 I CA -0.306 61.029 61.300 0.057 0.000 1.218 593 I CB 0.708 38.660 38.000 -0.079 0.000 1.233 593 I HN -0.159 nan 8.210 nan 0.000 0.430 594 F N 2.210 122.167 119.950 0.012 0.000 2.325 594 F HA 0.585 5.090 4.527 -0.036 0.000 0.369 594 F C 1.141 176.950 175.800 0.014 0.000 1.095 594 F CA -1.481 56.528 58.000 0.015 0.000 1.082 594 F CB 0.700 39.712 39.000 0.021 0.000 1.289 594 F HN 0.166 nan 8.300 nan 0.000 0.462 595 G N 1.486 110.388 108.800 0.169 0.000 2.157 595 G HA2 -0.336 3.603 3.960 -0.036 0.000 0.248 595 G HA3 -0.336 3.603 3.960 -0.036 0.000 0.248 595 G C 1.463 176.409 174.900 0.076 0.000 0.979 595 G CA 0.620 45.774 45.100 0.090 0.000 0.650 595 G HN 0.622 nan 8.290 nan 0.000 0.529 596 S N 0.032 115.786 115.700 0.089 0.000 2.382 596 S HA -0.102 4.347 4.470 -0.036 0.000 0.228 596 S C 2.314 176.940 174.600 0.044 0.000 1.027 596 S CA 1.919 60.156 58.200 0.061 0.000 0.991 596 S CB -0.163 63.073 63.200 0.060 0.000 0.823 596 S HN 0.547 nan 8.310 nan 0.000 0.469 597 E N 1.298 121.524 120.200 0.043 0.000 2.153 597 E HA -0.152 4.176 4.350 -0.036 0.000 0.194 597 E C 2.110 178.725 176.600 0.024 0.000 0.988 597 E CA 1.055 57.473 56.400 0.030 0.000 0.811 597 E CB -0.477 29.239 29.700 0.026 0.000 0.746 597 E HN 0.730 nan 8.360 nan 0.000 0.466 598 Q N 0.220 120.036 119.800 0.026 0.000 1.984 598 Q HA 0.008 4.326 4.340 -0.036 0.000 0.196 598 Q C 2.343 178.356 176.000 0.021 0.000 0.975 598 Q CA 0.663 56.478 55.803 0.020 0.000 0.827 598 Q CB -0.302 28.447 28.738 0.019 0.000 0.894 598 Q HN 0.143 nan 8.270 nan 0.000 0.438 599 I N 1.770 122.356 120.570 0.026 0.000 2.381 599 I HA -0.224 3.924 4.170 -0.036 0.000 0.255 599 I C 1.755 177.886 176.117 0.022 0.000 1.140 599 I CA 1.527 62.842 61.300 0.024 0.000 1.404 599 I CB -0.673 37.344 38.000 0.030 0.000 1.075 599 I HN 0.247 nan 8.210 nan 0.000 0.433 600 G N 0.267 109.081 108.800 0.023 0.000 2.604 600 G HA2 -0.279 3.660 3.960 -0.036 0.000 0.216 600 G HA3 -0.279 3.660 3.960 -0.036 0.000 0.216 600 G C 1.720 176.630 174.900 0.017 0.000 1.265 600 G CA 0.977 46.089 45.100 0.020 0.000 0.804 600 G HN 0.395 nan 8.290 nan 0.000 0.579 601 K N -0.051 120.358 120.400 0.015 0.000 2.057 601 K HA -0.038 4.260 4.320 -0.036 0.000 0.207 601 K C 2.504 179.111 176.600 0.012 0.000 1.049 601 K CA 1.159 57.454 56.287 0.013 0.000 0.931 601 K CB -0.440 32.067 32.500 0.011 0.000 0.714 601 K HN 0.205 nan 8.250 nan 0.000 0.440 602 V N 1.004 120.925 119.914 0.013 0.000 2.982 602 V HA -0.228 3.870 4.120 -0.036 0.000 0.265 602 V C 1.875 177.977 176.094 0.013 0.000 1.122 602 V CA 1.328 63.635 62.300 0.012 0.000 1.143 602 V CB -0.413 31.417 31.823 0.012 0.000 0.726 602 V HN 0.318 nan 8.190 nan 0.000 0.507 603 M N -0.425 119.184 119.600 0.015 0.000 3.101 603 M HA 0.250 4.709 4.480 -0.036 0.000 0.236 603 M C 1.758 178.067 176.300 0.016 0.000 1.538 603 M CA 1.110 56.420 55.300 0.017 0.000 1.309 603 M CB -0.560 32.051 32.600 0.019 0.000 1.141 603 M HN 0.099 nan 8.290 nan 0.000 0.579 604 N N 0.628 119.338 118.700 0.016 0.000 2.334 604 N HA -0.085 4.633 4.740 -0.036 0.000 0.187 604 N C 1.548 177.065 175.510 0.012 0.000 1.016 604 N CA 1.456 54.515 53.050 0.015 0.000 0.879 604 N CB -0.097 38.399 38.487 0.015 0.000 0.965 604 N HN 0.442 nan 8.380 nan 0.000 0.438 605 I N -0.425 120.152 120.570 0.011 0.000 3.265 605 I HA -0.080 4.068 4.170 -0.036 0.000 0.282 605 I C 2.018 178.140 176.117 0.007 0.000 1.207 605 I CA 0.108 61.414 61.300 0.009 0.000 1.449 605 I CB 0.155 38.159 38.000 0.008 0.000 1.121 605 I HN -0.011 nan 8.210 nan 0.000 0.442 606 L N 0.926 122.154 121.223 0.009 0.000 2.068 606 L HA 0.119 4.437 4.340 -0.036 0.000 0.204 606 L C 0.739 177.613 176.870 0.007 0.000 1.076 606 L CA 1.735 56.580 54.840 0.008 0.000 0.753 606 L CB 0.066 42.133 42.059 0.012 0.000 0.910 606 L HN 0.062 nan 8.230 nan 0.000 0.439 607 K N -2.195 118.211 120.400 0.011 0.000 2.622 607 K HA 0.296 4.594 4.320 -0.036 0.000 0.273 607 K C -0.654 175.956 176.600 0.016 0.000 0.957 607 K CA -0.270 56.023 56.287 0.010 0.000 0.861 607 K CB 0.956 33.462 32.500 0.010 0.000 1.405 607 K HN 0.033 nan 8.250 nan 0.000 0.406 608 I N 0.737 121.316 120.570 0.015 0.000 4.547 608 I HA 0.014 4.162 4.170 -0.036 0.000 0.303 608 I C -0.179 175.951 176.117 0.021 0.000 1.188 608 I CA -0.386 60.926 61.300 0.019 0.000 1.320 608 I CB 0.605 38.615 38.000 0.017 0.000 1.495 608 I HN 0.569 nan 8.210 nan 0.000 0.462 609 E N 3.893 124.103 120.200 0.016 0.000 2.220 609 E HA 0.384 4.713 4.350 -0.036 0.000 0.272 609 E C -0.416 176.194 176.600 0.016 0.000 1.099 609 E CA 0.274 56.683 56.400 0.015 0.000 0.907 609 E CB 1.540 31.245 29.700 0.009 0.000 1.022 609 E HN 0.373 nan 8.360 nan 0.000 0.428 610 E N 1.690 121.904 120.200 0.024 0.000 1.659 610 E HA 0.309 4.638 4.350 -0.036 0.000 0.189 610 E C -0.163 176.461 176.600 0.040 0.000 1.829 610 E CA -0.169 56.248 56.400 0.028 0.000 1.111 610 E CB 0.267 29.987 29.700 0.033 0.000 1.579 610 E HN 0.378 nan 8.360 nan 0.000 0.656 611 G N -0.544 108.287 108.800 0.052 0.000 2.529 611 G HA2 0.203 4.142 3.960 -0.036 0.000 0.220 611 G HA3 0.203 4.142 3.960 -0.036 0.000 0.220 611 G C 0.400 175.362 174.900 0.104 0.000 1.976 611 G CA 0.741 45.882 45.100 0.069 0.000 0.789 611 G HN 0.317 nan 8.290 nan 0.000 0.695 612 Q N -0.888 118.990 119.800 0.130 0.000 2.486 612 Q HA 0.209 4.527 4.340 -0.036 0.000 0.204 612 Q C -2.440 173.592 176.000 0.053 0.000 0.736 612 Q CA -0.119 55.829 55.803 0.241 0.000 0.933 612 Q CB 1.119 30.092 28.738 0.391 0.000 1.308 612 Q HN 0.371 nan 8.270 nan 0.000 0.469 613 P HA 0.256 nan 4.420 nan 0.000 0.287 613 P C -0.817 176.376 177.300 -0.177 0.000 1.307 613 P CA 0.399 63.368 63.100 -0.219 0.000 0.777 613 P CB 0.973 32.652 31.700 -0.035 0.000 0.883 614 I N 3.308 123.663 120.570 -0.359 0.000 2.842 614 I HA 0.263 4.411 4.170 -0.036 0.000 0.297 614 I C -1.476 174.332 176.117 -0.514 0.000 1.380 614 I CA -0.690 60.398 61.300 -0.354 0.000 1.018 614 I CB 2.409 40.379 38.000 -0.049 0.000 1.311 614 I HN 0.462 nan 8.210 nan 0.000 0.439 615 Q N 3.776 123.116 119.800 -0.767 0.000 2.151 615 Q HA 0.085 4.403 4.340 -0.036 0.000 0.170 615 Q C -1.310 174.440 176.000 -0.416 0.000 0.567 615 Q CA -0.322 55.215 55.803 -0.444 0.000 1.011 615 Q CB -0.942 27.590 28.738 -0.343 0.000 1.382 615 Q HN 0.900 nan 8.270 nan 0.000 0.323 616 H N 0.233 119.268 119.070 -0.057 0.000 2.439 616 H HA 0.249 4.784 4.556 -0.036 0.000 0.299 616 H C -1.581 173.728 175.328 -0.032 0.000 1.033 616 H CA 0.523 56.546 56.048 -0.041 0.000 1.348 616 H CB -0.510 29.230 29.762 -0.037 0.000 1.449 616 H HN 0.278 nan 8.280 nan 0.000 0.544 617 P HA 0.250 nan 4.420 nan 0.000 0.224 617 P C -0.486 176.829 177.300 0.025 0.000 1.784 617 P CA -0.109 63.028 63.100 0.063 0.000 1.198 617 P CB 0.816 32.555 31.700 0.065 0.000 1.654 618 M N -0.263 119.341 119.600 0.007 0.000 2.901 618 M HA -0.265 4.193 4.480 -0.036 0.000 0.182 618 M C 0.778 177.069 176.300 -0.015 0.000 0.641 618 M CA 0.612 55.909 55.300 -0.004 0.000 0.689 618 M CB -1.534 31.068 32.600 0.002 0.000 2.484 618 M HN 0.177 nan 8.290 nan 0.000 0.302 619 L N 0.893 122.098 121.223 -0.029 0.000 1.932 619 L HA -0.144 4.175 4.340 -0.036 0.000 0.217 619 L C 2.598 179.442 176.870 -0.044 0.000 1.077 619 L CA 3.065 57.880 54.840 -0.043 0.000 0.765 619 L CB -1.307 40.703 42.059 -0.081 0.000 0.888 619 L HN 0.714 nan 8.230 nan 0.000 0.433 620 S N -0.819 114.842 115.700 -0.064 0.000 2.419 620 S HA -0.197 4.251 4.470 -0.036 0.000 0.235 620 S C 1.756 176.330 174.600 -0.042 0.000 1.019 620 S CA 1.056 59.221 58.200 -0.058 0.000 0.982 620 S CB -0.332 62.824 63.200 -0.074 0.000 0.789 620 S HN 0.464 nan 8.310 nan 0.000 0.490 621 K N 0.869 121.249 120.400 -0.035 0.000 1.984 621 K HA 0.041 4.340 4.320 -0.036 0.000 0.209 621 K C 2.172 178.762 176.600 -0.016 0.000 1.046 621 K CA 1.263 57.536 56.287 -0.024 0.000 0.934 621 K CB -0.631 31.858 32.500 -0.018 0.000 0.717 621 K HN 0.280 nan 8.250 nan 0.000 0.438 622 L N 2.402 123.618 121.223 -0.011 0.000 1.955 622 L HA -0.171 4.147 4.340 -0.036 0.000 0.213 622 L C 2.344 179.214 176.870 0.002 0.000 1.072 622 L CA 1.451 56.290 54.840 -0.002 0.000 0.755 622 L CB -0.562 41.499 42.059 0.002 0.000 0.888 622 L HN 0.316 nan 8.230 nan 0.000 0.432 623 I N -2.952 117.619 120.570 0.001 0.000 2.181 623 I HA -0.327 3.822 4.170 -0.036 0.000 0.247 623 I C 2.271 178.391 176.117 0.006 0.000 1.081 623 I CA 1.768 63.074 61.300 0.010 0.000 1.340 623 I CB -0.942 37.061 38.000 0.004 0.000 1.036 623 I HN 0.353 nan 8.210 nan 0.000 0.417 624 E N 1.702 121.896 120.200 -0.010 0.000 2.021 624 E HA -0.286 4.043 4.350 -0.036 0.000 0.200 624 E C 2.058 178.657 176.600 -0.003 0.000 1.015 624 E CA 1.718 58.108 56.400 -0.016 0.000 0.824 624 E CB -0.732 28.953 29.700 -0.026 0.000 0.762 624 E HN 0.614 nan 8.360 nan 0.000 0.454 625 N N 0.679 119.378 118.700 -0.002 0.000 2.137 625 N HA -0.178 4.540 4.740 -0.036 0.000 0.190 625 N C 1.936 177.453 175.510 0.011 0.000 1.017 625 N CA 0.900 53.951 53.050 0.002 0.000 0.859 625 N CB -0.166 38.321 38.487 -0.001 0.000 1.002 625 N HN 0.064 nan 8.380 nan 0.000 0.428 626 I N 1.517 122.100 120.570 0.022 0.000 2.179 626 I HA -0.237 3.911 4.170 -0.036 0.000 0.242 626 I C 2.690 178.842 176.117 0.058 0.000 1.088 626 I CA 0.972 62.297 61.300 0.043 0.000 1.357 626 I CB -0.679 37.360 38.000 0.065 0.000 1.051 626 I HN 0.262 nan 8.210 nan 0.000 0.409 627 Q N 0.800 120.631 119.800 0.052 0.000 1.956 627 Q HA -0.287 4.031 4.340 -0.036 0.000 0.208 627 Q C 2.208 178.242 176.000 0.056 0.000 0.998 627 Q CA 1.993 57.832 55.803 0.060 0.000 0.855 627 Q CB -0.038 28.719 28.738 0.032 0.000 0.928 627 Q HN 0.225 nan 8.270 nan 0.000 0.418 628 K N 0.901 121.321 120.400 0.033 0.000 2.089 628 K HA -0.232 4.066 4.320 -0.036 0.000 0.210 628 K C 2.007 178.630 176.600 0.038 0.000 1.048 628 K CA 1.728 58.034 56.287 0.033 0.000 0.926 628 K CB -0.568 31.941 32.500 0.016 0.000 0.714 628 K HN 0.353 nan 8.250 nan 0.000 0.448 629 K N 1.198 121.612 120.400 0.022 0.000 2.015 629 K HA -0.182 4.117 4.320 -0.036 0.000 0.216 629 K C 2.072 178.670 176.600 -0.002 0.000 1.052 629 K CA 2.019 58.306 56.287 0.000 0.000 0.937 629 K CB -0.200 32.292 32.500 -0.013 0.000 0.719 629 K HN -0.076 nan 8.250 nan 0.000 0.446 630 V N 1.795 121.725 119.914 0.026 0.000 2.252 630 V HA -0.285 3.814 4.120 -0.036 0.000 0.249 630 V C 2.514 178.657 176.094 0.082 0.000 1.056 630 V CA 2.419 64.748 62.300 0.049 0.000 1.022 630 V CB -0.747 31.215 31.823 0.231 0.000 0.641 630 V HN 0.534 nan 8.190 nan 0.000 0.445 631 E N 0.328 120.588 120.200 0.101 0.000 2.147 631 E HA -0.248 4.080 4.350 -0.036 0.000 0.199 631 E C 2.261 178.954 176.600 0.155 0.000 1.005 631 E CA 1.529 57.999 56.400 0.116 0.000 0.810 631 E CB -0.473 29.288 29.700 0.102 0.000 0.736 631 E HN 0.628 nan 8.360 nan 0.000 0.460 632 G N 1.675 110.547 108.800 0.121 0.000 2.446 632 G HA2 -0.250 3.688 3.960 -0.036 0.000 0.217 632 G HA3 -0.250 3.688 3.960 -0.036 0.000 0.217 632 G C 1.529 176.506 174.900 0.128 0.000 1.168 632 G CA 1.081 46.255 45.100 0.123 0.000 0.771 632 G HN 0.224 nan 8.290 nan 0.000 0.551 633 I N 1.844 122.447 120.570 0.056 0.000 2.118 633 I HA -0.192 3.957 4.170 -0.036 0.000 0.241 633 I C 2.418 178.600 176.117 0.108 0.000 1.070 633 I CA 1.087 62.410 61.300 0.038 0.000 1.327 633 I CB -1.444 36.529 38.000 -0.044 0.000 1.034 633 I HN 0.145 nan 8.210 nan 0.000 0.405 634 N N 0.791 119.567 118.700 0.128 0.000 2.094 634 N HA -0.232 4.487 4.740 -0.036 0.000 0.191 634 N C 1.916 177.527 175.510 0.167 0.000 1.023 634 N CA 1.297 54.427 53.050 0.134 0.000 0.857 634 N CB -0.614 37.941 38.487 0.114 0.000 1.013 634 N HN 0.224 nan 8.380 nan 0.000 0.426 635 F N 1.701 121.683 119.950 0.054 0.000 2.091 635 F HA -0.193 4.311 4.527 -0.038 0.000 0.299 635 F C 2.809 178.647 175.800 0.063 0.000 1.103 635 F CA 1.131 59.166 58.000 0.059 0.000 1.228 635 F CB -0.814 38.210 39.000 0.041 0.000 0.984 635 F HN -0.044 nan 8.300 nan 0.000 0.477 636 S N -0.019 115.867 115.700 0.310 0.000 2.354 636 S HA -0.231 4.217 4.470 -0.036 0.000 0.219 636 S C 2.119 176.811 174.600 0.154 0.000 1.035 636 S CA 1.614 59.923 58.200 0.182 0.000 1.037 636 S CB -0.804 62.452 63.200 0.094 0.000 0.956 636 S HN 0.325 nan 8.310 nan 0.000 0.428 637 I N 2.370 123.017 120.570 0.127 0.000 2.335 637 I HA -0.114 4.035 4.170 -0.036 0.000 0.251 637 I C 2.427 178.618 176.117 0.123 0.000 1.129 637 I CA 1.366 62.727 61.300 0.103 0.000 1.402 637 I CB -0.518 37.537 38.000 0.091 0.000 1.069 637 I HN 0.294 nan 8.210 nan 0.000 0.424 638 R N 0.751 121.342 120.500 0.152 0.000 2.117 638 R HA -0.264 4.054 4.340 -0.036 0.000 0.243 638 R C 2.355 178.769 176.300 0.191 0.000 1.143 638 R CA 1.988 58.186 56.100 0.163 0.000 0.968 638 R CB -0.387 29.979 30.300 0.110 0.000 0.863 638 R HN 0.414 nan 8.270 nan 0.000 0.444 639 K N -0.170 120.349 120.400 0.198 0.000 1.965 639 K HA -0.127 4.171 4.320 -0.036 0.000 0.214 639 K C 1.777 178.447 176.600 0.116 0.000 1.046 639 K CA 2.186 58.579 56.287 0.176 0.000 0.944 639 K CB -0.422 32.178 32.500 0.166 0.000 0.726 639 K HN 0.147 nan 8.250 nan 0.000 0.441 640 T N 2.619 117.221 114.554 0.080 0.000 2.522 640 T HA -0.252 4.076 4.350 -0.036 0.000 0.253 640 T C 1.648 176.355 174.700 0.012 0.000 1.218 640 T CA 1.944 64.060 62.100 0.026 0.000 1.155 640 T CB -0.395 68.477 68.868 0.007 0.000 0.855 640 T HN 0.172 nan 8.240 nan 0.000 0.435 641 L N 0.376 121.620 121.223 0.036 0.000 2.217 641 L HA 0.118 4.436 4.340 -0.036 0.000 0.211 641 L C 2.360 179.271 176.870 0.069 0.000 1.107 641 L CA 1.399 56.259 54.840 0.033 0.000 0.783 641 L CB -1.095 40.997 42.059 0.055 0.000 0.919 641 L HN 0.458 nan 8.230 nan 0.000 0.442 642 M N -0.183 119.479 119.600 0.103 0.000 2.065 642 M HA -0.254 4.204 4.480 -0.036 0.000 0.259 642 M C 1.966 178.310 176.300 0.073 0.000 1.071 642 M CA 1.885 57.242 55.300 0.096 0.000 1.109 642 M CB -0.067 32.637 32.600 0.173 0.000 1.313 642 M HN -0.020 nan 8.290 nan 0.000 0.408 643 E N 0.350 120.606 120.200 0.093 0.000 2.038 643 E HA -0.206 4.123 4.350 -0.036 0.000 0.195 643 E C 1.982 178.662 176.600 0.134 0.000 1.000 643 E CA 2.087 58.549 56.400 0.102 0.000 0.803 643 E CB -0.409 29.351 29.700 0.101 0.000 0.750 643 E HN 0.541 nan 8.360 nan 0.000 0.448 644 M N 0.389 120.059 119.600 0.117 0.000 2.115 644 M HA -0.219 4.240 4.480 -0.036 0.000 0.258 644 M C 2.046 178.526 176.300 0.300 0.000 1.071 644 M CA 1.773 57.199 55.300 0.211 0.000 1.100 644 M CB -0.654 31.864 32.600 -0.137 0.000 1.292 644 M HN 0.113 nan 8.290 nan 0.000 0.415 645 D N 0.474 120.979 120.400 0.176 0.000 2.271 645 D HA -0.199 4.419 4.640 -0.036 0.000 0.207 645 D C 1.477 177.860 176.300 0.137 0.000 0.983 645 D CA 1.143 55.240 54.000 0.162 0.000 0.878 645 D CB -0.251 40.608 40.800 0.100 0.000 0.920 645 D HN 0.329 nan 8.370 nan 0.000 0.479 646 D N -0.181 120.289 120.400 0.116 0.000 2.097 646 D HA -0.133 4.486 4.640 -0.036 0.000 0.195 646 D C 2.052 178.422 176.300 0.118 0.000 0.989 646 D CA 0.527 54.579 54.000 0.086 0.000 0.827 646 D CB -0.076 40.769 40.800 0.074 0.000 0.966 646 D HN 0.107 nan 8.370 nan 0.000 0.456 647 V N 0.970 120.985 119.914 0.169 0.000 2.720 647 V HA -0.162 3.936 4.120 -0.036 0.000 0.256 647 V C 2.349 178.515 176.094 0.120 0.000 1.082 647 V CA 0.952 63.351 62.300 0.166 0.000 1.101 647 V CB -0.186 31.749 31.823 0.187 0.000 0.693 647 V HN 0.166 nan 8.190 nan 0.000 0.479 648 L N -0.170 121.142 121.223 0.149 0.000 2.217 648 L HA -0.084 4.235 4.340 -0.036 0.000 0.211 648 L C 2.282 179.213 176.870 0.101 0.000 1.107 648 L CA 1.693 56.609 54.840 0.126 0.000 0.783 648 L CB -0.532 41.651 42.059 0.206 0.000 0.919 648 L HN 0.406 nan 8.230 nan 0.000 0.442 649 D N 0.149 120.610 120.400 0.103 0.000 2.149 649 D HA -0.206 4.412 4.640 -0.036 0.000 0.198 649 D C 2.175 178.504 176.300 0.050 0.000 0.990 649 D CA 1.293 55.346 54.000 0.088 0.000 0.839 649 D CB 0.251 41.087 40.800 0.060 0.000 0.948 649 D HN -0.037 nan 8.370 nan 0.000 0.460 650 K N 0.028 120.455 120.400 0.044 0.000 1.973 650 K HA -0.112 4.187 4.320 -0.036 0.000 0.210 650 K C 2.370 178.955 176.600 -0.025 0.000 1.045 650 K CA 1.125 57.434 56.287 0.038 0.000 0.937 650 K CB -0.559 32.004 32.500 0.105 0.000 0.721 650 K HN 0.377 nan 8.250 nan 0.000 0.438 651 Q N 0.390 120.098 119.800 -0.153 0.000 2.029 651 Q HA -0.214 4.104 4.340 -0.036 0.000 0.209 651 Q C 2.264 177.958 176.000 -0.510 0.000 0.999 651 Q CA 1.829 57.289 55.803 -0.571 0.000 0.857 651 Q CB -0.372 27.790 28.738 -0.960 0.000 0.926 651 Q HN 0.258 nan 8.270 nan 0.000 0.415 652 R N 1.040 121.384 120.500 -0.260 0.000 2.119 652 R HA -0.264 4.054 4.340 -0.036 0.000 0.246 652 R C 2.205 178.453 176.300 -0.087 0.000 1.146 652 R CA 1.927 58.020 56.100 -0.011 0.000 0.962 652 R CB -0.174 30.343 30.300 0.363 0.000 0.863 652 R HN 0.083 nan 8.270 nan 0.000 0.442 653 R N 0.607 121.041 120.500 -0.111 0.000 2.113 653 R HA -0.134 4.184 4.340 -0.036 0.000 0.231 653 R C 2.246 178.431 176.300 -0.192 0.000 1.129 653 R CA 2.460 58.452 56.100 -0.181 0.000 0.915 653 R CB -1.036 29.216 30.300 -0.080 0.000 0.837 653 R HN 0.344 nan 8.270 nan 0.000 0.430 654 A N 0.002 122.772 122.820 -0.084 0.000 1.958 654 A HA -0.165 4.133 4.320 -0.036 0.000 0.221 654 A C 2.266 179.802 177.584 -0.079 0.000 1.178 654 A CA 1.968 53.979 52.037 -0.044 0.000 0.642 654 A CB -0.921 18.130 19.000 0.083 0.000 0.816 654 A HN 0.238 nan 8.150 nan 0.000 0.453 655 V N -0.661 119.169 119.914 -0.139 0.000 2.246 655 V HA -0.336 3.762 4.120 -0.036 0.000 0.237 655 V C 2.341 178.442 176.094 0.012 0.000 1.025 655 V CA 2.238 64.451 62.300 -0.145 0.000 0.993 655 V CB -1.480 30.158 31.823 -0.307 0.000 0.642 655 V HN 0.852 nan 8.190 nan 0.000 0.466 656 Y N -0.642 119.625 120.300 -0.055 0.000 2.553 656 Y HA 0.220 4.750 4.550 -0.033 0.000 0.303 656 Y C 2.119 177.974 175.900 -0.075 0.000 1.194 656 Y CA 0.601 58.665 58.100 -0.061 0.000 1.305 656 Y CB -0.648 37.752 38.460 -0.099 0.000 1.045 656 Y HN 0.101 nan 8.280 nan 0.000 0.514 657 S N 0.686 116.270 115.700 -0.193 0.000 2.446 657 S HA -0.026 4.422 4.470 -0.036 0.000 0.225 657 S C 1.726 176.272 174.600 -0.091 0.000 1.016 657 S CA 0.679 58.778 58.200 -0.168 0.000 0.943 657 S CB -0.173 62.922 63.200 -0.175 0.000 0.786 657 S HN 0.646 nan 8.310 nan 0.000 0.508 658 L N 1.298 122.478 121.223 -0.072 0.000 2.131 658 L HA 0.144 4.463 4.340 -0.036 0.000 0.206 658 L C 2.530 179.371 176.870 -0.048 0.000 1.087 658 L CA 0.917 55.717 54.840 -0.068 0.000 0.767 658 L CB -0.141 41.870 42.059 -0.079 0.000 0.917 658 L HN 0.132 nan 8.230 nan 0.000 0.441 659 R N -0.127 120.373 120.500 0.000 0.000 2.189 659 R HA -0.152 4.166 4.340 -0.036 0.000 0.223 659 R C 1.494 177.790 176.300 -0.007 0.000 1.092 659 R CA 1.345 57.459 56.100 0.023 0.000 0.989 659 R CB -0.231 30.121 30.300 0.087 0.000 0.876 659 R HN 0.474 nan 8.270 nan 0.000 0.457 660 D N 0.548 120.926 120.400 -0.036 0.000 2.084 660 D HA -0.145 4.473 4.640 -0.036 0.000 0.199 660 D C 1.821 178.051 176.300 -0.117 0.000 0.981 660 D CA 1.100 55.026 54.000 -0.123 0.000 0.841 660 D CB -0.179 40.530 40.800 -0.153 0.000 0.997 660 D HN 0.263 nan 8.370 nan 0.000 0.454 661 Q N 0.242 120.001 119.800 -0.069 0.000 2.248 661 Q HA -0.155 4.163 4.340 -0.036 0.000 0.208 661 Q C 2.416 178.456 176.000 0.067 0.000 0.984 661 Q CA 0.992 56.790 55.803 -0.008 0.000 0.875 661 Q CB -0.152 28.603 28.738 0.030 0.000 0.910 661 Q HN 0.535 nan 8.270 nan 0.000 0.433 662 I N -2.779 117.810 120.570 0.033 0.000 2.500 662 I HA -0.131 4.017 4.170 -0.036 0.000 0.252 662 I C 2.086 178.240 176.117 0.061 0.000 1.142 662 I CA 0.506 61.845 61.300 0.066 0.000 1.451 662 I CB -0.272 37.713 38.000 -0.026 0.000 1.093 662 I HN 0.096 nan 8.210 nan 0.000 0.430 663 L N 1.494 122.726 121.223 0.016 0.000 2.093 663 L HA -0.043 4.276 4.340 -0.036 0.000 0.208 663 L C 2.156 179.039 176.870 0.022 0.000 1.085 663 L CA 1.782 56.634 54.840 0.020 0.000 0.755 663 L CB -0.611 41.441 42.059 -0.012 0.000 0.904 663 L HN 0.272 nan 8.230 nan 0.000 0.435 664 L N -1.145 120.066 121.223 -0.019 0.000 1.993 664 L HA -0.041 4.278 4.340 -0.036 0.000 0.206 664 L C 1.671 178.552 176.870 0.018 0.000 1.074 664 L CA 0.466 55.303 54.840 -0.004 0.000 0.746 664 L CB -0.917 41.112 42.059 -0.050 0.000 0.896 664 L HN 0.131 nan 8.230 nan 0.000 0.435 665 E N 0.733 120.942 120.200 0.015 0.000 2.665 665 E HA -0.019 4.309 4.350 -0.036 0.000 0.269 665 E C 0.362 176.969 176.600 0.013 0.000 1.432 665 E CA 0.487 56.878 56.400 -0.015 0.000 1.176 665 E CB 0.483 30.133 29.700 -0.083 0.000 0.966 665 E HN 0.248 nan 8.360 nan 0.000 0.581 666 K N -0.176 120.211 120.400 -0.022 0.000 3.654 666 K HA 0.151 4.449 4.320 -0.036 0.000 0.263 666 K C -0.180 176.446 176.600 0.043 0.000 1.476 666 K CA -0.533 55.765 56.287 0.018 0.000 1.369 666 K CB 0.133 32.636 32.500 0.004 0.000 2.428 666 K HN 0.216 nan 8.250 nan 0.000 0.520 667 D N 1.817 122.229 120.400 0.020 0.000 2.545 667 D HA 0.015 4.633 4.640 -0.036 0.000 0.227 667 D C -0.245 176.124 176.300 0.114 0.000 1.150 667 D CA 0.428 54.473 54.000 0.075 0.000 1.046 667 D CB 0.010 40.849 40.800 0.066 0.000 1.098 667 D HN 0.267 nan 8.370 nan 0.000 0.502 668 Y N 1.161 121.515 120.300 0.090 0.000 2.502 668 Y HA -0.086 4.441 4.550 -0.037 0.000 0.295 668 Y C 1.442 177.559 175.900 0.362 0.000 1.193 668 Y CA -0.123 58.045 58.100 0.115 0.000 1.295 668 Y CB 0.164 38.611 38.460 -0.020 0.000 1.059 668 Y HN 0.187 nan 8.280 nan 0.000 0.514 669 D N 0.547 121.179 120.400 0.385 0.000 2.564 669 D HA -0.309 4.310 4.640 -0.036 0.000 0.209 669 D C 1.825 178.319 176.300 0.323 0.000 1.075 669 D CA 2.079 56.259 54.000 0.300 0.000 0.922 669 D CB -0.353 40.556 40.800 0.181 0.000 1.186 669 D HN 0.390 nan 8.370 nan 0.000 0.487 670 E N -0.574 119.756 120.200 0.217 0.000 2.233 670 E HA -0.228 4.100 4.350 -0.036 0.000 0.199 670 E C 2.271 178.903 176.600 0.053 0.000 1.004 670 E CA 1.071 57.512 56.400 0.069 0.000 0.819 670 E CB -0.273 29.358 29.700 -0.116 0.000 0.738 670 E HN 0.510 nan 8.360 nan 0.000 0.478 671 Y N 0.582 121.001 120.300 0.199 0.000 2.130 671 Y HA -0.160 4.367 4.550 -0.037 0.000 0.287 671 Y C 2.537 178.554 175.900 0.195 0.000 1.124 671 Y CA 1.080 59.310 58.100 0.217 0.000 1.118 671 Y CB -0.960 37.730 38.460 0.383 0.000 0.994 671 Y HN 0.029 nan 8.280 nan 0.000 0.497 672 L N 0.049 121.525 121.223 0.421 0.000 1.990 672 L HA -0.215 4.104 4.340 -0.036 0.000 0.213 672 L C 1.916 178.990 176.870 0.340 0.000 1.072 672 L CA 2.000 57.032 54.840 0.320 0.000 0.755 672 L CB -1.227 41.023 42.059 0.318 0.000 0.889 672 L HN 0.002 nan 8.230 nan 0.000 0.432 673 K N 0.264 120.900 120.400 0.394 0.000 1.977 673 K HA -0.255 4.044 4.320 -0.036 0.000 0.218 673 K C 1.956 178.648 176.600 0.154 0.000 1.051 673 K CA 1.888 58.332 56.287 0.262 0.000 0.953 673 K CB -0.880 31.863 32.500 0.406 0.000 0.727 673 K HN 0.455 nan 8.250 nan 0.000 0.445 674 D N 1.253 121.728 120.400 0.124 0.000 2.321 674 D HA -0.228 4.390 4.640 -0.036 0.000 0.194 674 D C 1.794 178.085 176.300 -0.014 0.000 1.013 674 D CA 1.771 55.793 54.000 0.038 0.000 0.863 674 D CB -0.286 40.531 40.800 0.029 0.000 1.011 674 D HN 0.091 nan 8.370 nan 0.000 0.457 675 I N 0.145 120.740 120.570 0.042 0.000 2.315 675 I HA -0.183 3.965 4.170 -0.036 0.000 0.251 675 I C 2.279 178.372 176.117 -0.041 0.000 1.125 675 I CA 1.052 62.354 61.300 0.004 0.000 1.392 675 I CB -0.767 37.264 38.000 0.051 0.000 1.065 675 I HN 0.216 nan 8.210 nan 0.000 0.424 676 F N 1.694 121.566 119.950 -0.130 0.000 2.102 676 F HA -0.215 4.290 4.527 -0.037 0.000 0.298 676 F C 2.432 178.078 175.800 -0.256 0.000 1.105 676 F CA 1.981 59.866 58.000 -0.192 0.000 1.239 676 F CB -0.568 38.233 39.000 -0.331 0.000 0.991 676 F HN 0.089 nan 8.300 nan 0.000 0.474 677 E N 0.817 120.391 120.200 -1.042 0.000 2.006 677 E HA -0.199 4.129 4.350 -0.036 0.000 0.192 677 E C 1.821 178.067 176.600 -0.589 0.000 0.993 677 E CA 2.103 57.868 56.400 -1.059 0.000 0.808 677 E CB -0.930 28.428 29.700 -0.568 0.000 0.764 677 E HN 0.439 nan 8.360 nan 0.000 0.449 678 D N -0.728 119.465 120.400 -0.345 0.000 2.220 678 D HA -0.168 4.450 4.640 -0.036 0.000 0.198 678 D C 1.840 177.995 176.300 -0.243 0.000 1.001 678 D CA 1.437 55.294 54.000 -0.239 0.000 0.875 678 D CB -0.031 40.679 40.800 -0.150 0.000 0.921 678 D HN 0.115 nan 8.370 nan 0.000 0.454 679 V N -0.609 119.144 119.914 -0.268 0.000 2.346 679 V HA -0.136 3.962 4.120 -0.036 0.000 0.244 679 V C 2.240 178.179 176.094 -0.258 0.000 1.037 679 V CA 0.943 63.114 62.300 -0.216 0.000 1.029 679 V CB -0.005 31.722 31.823 -0.161 0.000 0.663 679 V HN 0.102 nan 8.190 nan 0.000 0.454 680 V N 0.667 120.334 119.914 -0.412 0.000 2.871 680 V HA -0.118 3.981 4.120 -0.036 0.000 0.256 680 V C 2.535 178.379 176.094 -0.417 0.000 1.082 680 V CA 1.715 63.767 62.300 -0.413 0.000 1.105 680 V CB -0.206 31.255 31.823 -0.603 0.000 0.713 680 V HN 0.734 nan 8.190 nan 0.000 0.473 681 S N 0.928 116.360 115.700 -0.447 0.000 2.362 681 S HA -0.176 4.273 4.470 -0.036 0.000 0.221 681 S C 2.124 176.585 174.600 -0.231 0.000 1.032 681 S CA 1.428 59.397 58.200 -0.385 0.000 0.973 681 S CB -0.919 62.068 63.200 -0.356 0.000 0.849 681 S HN 0.664 nan 8.310 nan 0.000 0.465 682 T N -0.050 114.386 114.554 -0.196 0.000 2.881 682 T HA 0.034 4.363 4.350 -0.036 0.000 0.270 682 T C 1.948 176.581 174.700 -0.111 0.000 1.068 682 T CA 0.759 62.779 62.100 -0.132 0.000 1.131 682 T CB -0.428 68.366 68.868 -0.123 0.000 0.871 682 T HN 0.144 nan 8.240 nan 0.000 0.479 683 R N 1.205 121.623 120.500 -0.136 0.000 2.096 683 R HA 0.028 4.347 4.340 -0.036 0.000 0.235 683 R C 2.111 178.363 176.300 -0.079 0.000 1.127 683 R CA 0.953 56.998 56.100 -0.092 0.000 0.968 683 R CB -1.076 29.157 30.300 -0.113 0.000 0.861 683 R HN 0.466 nan 8.270 nan 0.000 0.440 684 V N 0.503 120.336 119.914 -0.133 0.000 3.510 684 V HA -0.053 4.045 4.120 -0.036 0.000 0.270 684 V C 0.517 176.582 176.094 -0.050 0.000 1.201 684 V CA 0.985 63.217 62.300 -0.113 0.000 1.166 684 V CB -0.410 31.294 31.823 -0.200 0.000 0.825 684 V HN 0.174 nan 8.190 nan 0.000 0.484 685 E N -0.649 119.524 120.200 -0.046 0.000 4.170 685 E HA 0.250 4.579 4.350 -0.036 0.000 0.199 685 E C 0.561 177.146 176.600 -0.025 0.000 1.080 685 E CA 0.115 56.499 56.400 -0.026 0.000 1.446 685 E CB 0.514 30.194 29.700 -0.034 0.000 1.170 685 E HN 0.318 nan 8.360 nan 0.000 0.429 686 E N -0.653 119.547 120.200 0.001 0.000 3.155 686 E HA 0.360 4.689 4.350 -0.036 0.000 0.208 686 E C 0.038 176.668 176.600 0.049 0.000 1.060 686 E CA 0.143 56.535 56.400 -0.013 0.000 1.522 686 E CB 0.159 29.836 29.700 -0.037 0.000 1.433 686 E HN 0.258 nan 8.360 nan 0.000 0.709 687 F N 0.553 120.480 119.950 -0.039 0.000 2.735 687 F HA 0.282 4.789 4.527 -0.034 0.000 0.308 687 F C -0.782 175.004 175.800 -0.023 0.000 1.112 687 F CA -0.408 57.577 58.000 -0.025 0.000 1.235 687 F CB 1.008 39.996 39.000 -0.020 0.000 1.027 687 F HN 0.147 nan 8.300 nan 0.000 0.528 688 C N -0.956 118.442 119.300 0.164 0.000 3.044 688 C HA 0.423 4.861 4.460 -0.036 0.000 0.382 688 C C 0.019 175.030 174.990 0.035 0.000 1.071 688 C CA -1.208 57.849 59.018 0.065 0.000 1.296 688 C CB -0.546 27.198 27.740 0.007 0.000 1.730 688 C HN 0.119 nan 8.230 nan 0.000 0.513 689 S N 1.619 117.340 115.700 0.035 0.000 2.558 689 S HA 0.382 4.830 4.470 -0.036 0.000 0.293 689 S C 1.359 175.947 174.600 -0.019 0.000 1.292 689 S CA 0.794 58.999 58.200 0.008 0.000 1.063 689 S CB 0.530 63.737 63.200 0.012 0.000 0.831 689 S HN 1.369 nan 8.310 nan 0.000 0.499 690 G N 3.651 112.427 108.800 -0.040 0.000 3.263 690 G HA2 0.020 3.958 3.960 -0.036 0.000 0.246 690 G HA3 0.020 3.958 3.960 -0.036 0.000 0.246 690 G C 0.932 175.722 174.900 -0.183 0.000 0.982 690 G CA -0.200 44.864 45.100 -0.060 0.000 1.897 690 G HN 0.443 nan 8.290 nan 0.000 0.624 691 K N 0.175 120.481 120.400 -0.157 0.000 2.293 691 K HA 0.149 4.447 4.320 -0.036 0.000 0.198 691 K C 1.047 177.488 176.600 -0.265 0.000 1.066 691 K CA 0.286 56.421 56.287 -0.253 0.000 1.070 691 K CB -0.176 32.285 32.500 -0.065 0.000 1.374 691 K HN 0.338 nan 8.250 nan 0.000 0.461 692 N N -1.562 117.106 118.700 -0.053 0.000 2.936 692 N HA 0.004 4.722 4.740 -0.036 0.000 0.165 692 N C 1.255 176.833 175.510 0.114 0.000 1.621 692 N CA -0.432 52.643 53.050 0.043 0.000 1.214 692 N CB 0.171 38.745 38.487 0.146 0.000 0.959 692 N HN 0.244 nan 8.380 nan 0.000 0.573 693 W N 3.191 124.496 121.300 0.009 0.000 2.350 693 W HA -0.172 4.467 4.660 -0.036 0.000 0.289 693 W C 1.377 177.894 176.519 -0.004 0.000 1.215 693 W CA 1.841 59.192 57.345 0.010 0.000 1.236 693 W CB -0.351 29.118 29.460 0.014 0.000 1.130 693 W HN 0.341 nan 8.180 nan 0.000 0.541 694 D N 1.052 121.560 120.400 0.180 0.000 2.103 694 D HA -0.263 4.355 4.640 -0.036 0.000 0.190 694 D C 2.111 178.385 176.300 -0.043 0.000 0.997 694 D CA 3.075 57.124 54.000 0.081 0.000 0.833 694 D CB -0.737 40.107 40.800 0.072 0.000 0.961 694 D HN 0.352 nan 8.370 nan 0.000 0.447 695 I N -1.199 119.344 120.570 -0.045 0.000 2.235 695 I HA -0.058 4.090 4.170 -0.036 0.000 0.241 695 I C 2.389 178.435 176.117 -0.118 0.000 1.085 695 I CA 0.895 62.154 61.300 -0.067 0.000 1.378 695 I CB -0.823 37.161 38.000 -0.028 0.000 1.076 695 I HN -0.074 nan 8.210 nan 0.000 0.415 696 E N 1.498 121.621 120.200 -0.127 0.000 2.147 696 E HA -0.283 4.045 4.350 -0.036 0.000 0.199 696 E C 2.151 178.573 176.600 -0.297 0.000 1.005 696 E CA 2.060 58.357 56.400 -0.171 0.000 0.810 696 E CB -0.064 29.537 29.700 -0.166 0.000 0.736 696 E HN 0.560 nan 8.360 nan 0.000 0.460 697 S N -0.794 114.636 115.700 -0.451 0.000 2.317 697 S HA -0.061 4.388 4.470 -0.036 0.000 0.212 697 S C 2.050 176.491 174.600 -0.265 0.000 1.030 697 S CA 0.712 58.616 58.200 -0.493 0.000 0.970 697 S CB -0.174 62.598 63.200 -0.714 0.000 0.928 697 S HN 0.163 nan 8.310 nan 0.000 0.451 698 L N 2.339 123.441 121.223 -0.201 0.000 2.079 698 L HA 0.025 4.344 4.340 -0.036 0.000 0.210 698 L C 2.424 179.221 176.870 -0.122 0.000 1.081 698 L CA 1.735 56.489 54.840 -0.143 0.000 0.752 698 L CB -0.633 41.355 42.059 -0.119 0.000 0.896 698 L HN 0.330 nan 8.230 nan 0.000 0.433 699 K N -0.154 120.174 120.400 -0.120 0.000 2.283 699 K HA -0.193 4.105 4.320 -0.036 0.000 0.202 699 K C 2.049 178.591 176.600 -0.097 0.000 1.048 699 K CA 1.018 57.241 56.287 -0.107 0.000 0.948 699 K CB -0.187 32.251 32.500 -0.104 0.000 0.742 699 K HN 0.419 nan 8.250 nan 0.000 0.458 700 N N 0.579 119.212 118.700 -0.111 0.000 2.043 700 N HA -0.152 4.566 4.740 -0.036 0.000 0.193 700 N C 1.316 176.779 175.510 -0.077 0.000 1.037 700 N CA 2.001 54.998 53.050 -0.088 0.000 0.851 700 N CB -0.297 38.115 38.487 -0.125 0.000 1.027 700 N HN 0.067 nan 8.380 nan 0.000 0.422 701 S N 0.743 116.380 115.700 -0.105 0.000 2.419 701 S HA -0.083 4.365 4.470 -0.036 0.000 0.233 701 S C 1.775 176.327 174.600 -0.080 0.000 1.016 701 S CA 0.581 58.717 58.200 -0.107 0.000 0.974 701 S CB -0.244 62.886 63.200 -0.117 0.000 0.786 701 S HN 0.378 nan 8.310 nan 0.000 0.492 702 L N 1.899 123.071 121.223 -0.086 0.000 2.395 702 L HA 0.163 4.481 4.340 -0.036 0.000 0.218 702 L C 0.775 177.565 176.870 -0.133 0.000 1.130 702 L CA 0.889 55.681 54.840 -0.081 0.000 0.826 702 L CB -0.108 41.900 42.059 -0.085 0.000 0.941 702 L HN 0.216 nan 8.230 nan 0.000 0.451 703 S N -1.173 114.424 115.700 -0.171 0.000 2.204 703 S HA 0.266 4.715 4.470 -0.036 0.000 0.178 703 S C -0.469 173.908 174.600 -0.371 0.000 1.493 703 S CA -0.529 57.480 58.200 -0.319 0.000 1.266 703 S CB -0.634 62.532 63.200 -0.056 0.000 1.232 703 S HN 0.152 nan 8.310 nan 0.000 0.406 704 F N 3.434 122.971 119.950 -0.689 0.000 2.425 704 F HA 0.715 5.220 4.527 -0.037 0.000 0.354 704 F C -1.643 173.927 175.800 -0.384 0.000 1.162 704 F CA -1.755 56.005 58.000 -0.401 0.000 1.250 704 F CB -0.399 38.477 39.000 -0.206 0.000 1.579 704 F HN 0.303 nan 8.300 nan 0.000 0.589 705 F N 5.014 124.827 119.950 -0.230 0.000 2.588 705 F HA 0.451 4.955 4.527 -0.037 0.000 0.314 705 F C -1.335 174.297 175.800 -0.280 0.000 1.069 705 F CA -2.474 55.371 58.000 -0.258 0.000 0.931 705 F CB 0.704 39.670 39.000 -0.056 0.000 1.260 705 F HN 0.102 nan 8.300 nan 0.000 0.465 706 P HA -0.010 nan 4.420 nan 0.000 0.223 706 P C 0.380 177.667 177.300 -0.021 0.000 1.151 706 P CA 0.693 63.748 63.100 -0.076 0.000 0.787 706 P CB 0.067 31.723 31.700 -0.073 0.000 0.788 707 A N 0.503 123.333 122.820 0.018 0.000 2.433 707 A HA 0.437 4.735 4.320 -0.036 0.000 0.250 707 A C 0.767 178.341 177.584 -0.017 0.000 1.113 707 A CA 0.541 52.572 52.037 -0.010 0.000 0.794 707 A CB -0.552 18.442 19.000 -0.009 0.000 1.067 707 A HN 0.271 nan 8.150 nan 0.000 0.510 708 G N -0.697 108.056 108.800 -0.078 0.000 2.730 708 G HA2 0.607 4.545 3.960 -0.036 0.000 0.291 708 G HA3 0.607 4.545 3.960 -0.036 0.000 0.291 708 G C -1.137 173.642 174.900 -0.202 0.000 1.456 708 G CA -0.360 44.684 45.100 -0.093 0.000 0.996 708 G HN 1.348 nan 8.290 nan 0.000 0.528 709 L N 0.065 121.142 121.223 -0.244 0.000 2.563 709 L HA 0.564 4.882 4.340 -0.036 0.000 0.259 709 L C -0.104 176.414 176.870 -0.587 0.000 1.034 709 L CA -1.132 53.327 54.840 -0.635 0.000 0.899 709 L CB 0.420 42.102 42.059 -0.628 0.000 1.159 709 L HN 0.412 nan 8.230 nan 0.000 0.456 710 F N -0.049 119.866 119.950 -0.058 0.000 3.100 710 F HA -0.315 4.190 4.527 -0.037 0.000 0.284 710 F C 1.597 177.391 175.800 -0.009 0.000 0.875 710 F CA 1.138 59.106 58.000 -0.054 0.000 1.039 710 F CB -2.297 36.629 39.000 -0.125 0.000 1.111 710 F HN 0.819 nan 8.300 nan 0.000 0.575 711 D N 1.185 121.646 120.400 0.102 0.000 2.095 711 D HA -0.196 4.422 4.640 -0.036 0.000 0.192 711 D C 1.537 177.884 176.300 0.078 0.000 0.990 711 D CA 1.543 55.592 54.000 0.081 0.000 0.836 711 D CB -0.456 40.372 40.800 0.047 0.000 0.979 711 D HN 0.491 nan 8.370 nan 0.000 0.447 712 L N 0.773 122.039 121.223 0.072 0.000 2.888 712 L HA 0.179 4.497 4.340 -0.036 0.000 0.237 712 L C 0.079 176.997 176.870 0.081 0.000 1.288 712 L CA -0.241 54.638 54.840 0.064 0.000 1.110 712 L CB -0.167 41.925 42.059 0.056 0.000 1.441 712 L HN -0.062 nan 8.230 nan 0.000 0.474 713 D N 1.524 121.985 120.400 0.102 0.000 2.477 713 D HA 0.143 4.761 4.640 -0.036 0.000 0.239 713 D C 0.341 176.692 176.300 0.086 0.000 1.102 713 D CA -0.226 53.832 54.000 0.097 0.000 0.901 713 D CB 0.750 41.624 40.800 0.123 0.000 1.026 713 D HN 0.436 nan 8.370 nan 0.000 0.515 714 E N 1.374 121.624 120.200 0.084 0.000 3.552 714 E HA 0.357 4.686 4.350 -0.036 0.000 0.264 714 E C -0.297 176.363 176.600 0.101 0.000 1.170 714 E CA -0.860 55.596 56.400 0.095 0.000 1.313 714 E CB 0.430 30.196 29.700 0.111 0.000 1.522 714 E HN -0.154 nan 8.360 nan 0.000 0.653 715 K N 0.681 121.162 120.400 0.135 0.000 4.361 715 K HA -0.117 4.181 4.320 -0.036 0.000 0.294 715 K C -1.316 175.390 176.600 0.177 0.000 0.970 715 K CA 0.704 57.093 56.287 0.170 0.000 0.913 715 K CB -1.113 31.457 32.500 0.117 0.000 1.583 715 K HN 0.546 nan 8.250 nan 0.000 0.438 716 Q N 0.668 120.600 119.800 0.220 0.000 2.281 716 Q HA 0.348 4.666 4.340 -0.036 0.000 0.263 716 Q C 0.007 176.107 176.000 0.166 0.000 0.989 716 Q CA -0.436 55.479 55.803 0.186 0.000 0.852 716 Q CB 0.969 29.768 28.738 0.102 0.000 1.337 716 Q HN 0.222 nan 8.270 nan 0.000 0.418 717 F N -0.032 119.910 119.950 -0.014 0.000 2.798 717 F HA 0.059 4.565 4.527 -0.036 0.000 0.328 717 F C 1.119 176.873 175.800 -0.077 0.000 1.098 717 F CA -0.067 57.912 58.000 -0.035 0.000 1.172 717 F CB 1.067 40.056 39.000 -0.019 0.000 1.072 717 F HN 0.315 nan 8.300 nan 0.000 0.555 718 S N 0.469 116.200 115.700 0.052 0.000 3.869 718 S HA 0.276 4.725 4.470 -0.036 0.000 0.241 718 S C 0.394 174.891 174.600 -0.172 0.000 1.363 718 S CA -0.038 58.147 58.200 -0.024 0.000 0.894 718 S CB -0.451 62.752 63.200 0.005 0.000 1.519 718 S HN 0.180 nan 8.310 nan 0.000 0.470 719 S N 0.381 115.916 115.700 -0.275 0.000 2.422 719 S HA 0.237 4.685 4.470 -0.036 0.000 0.226 719 S C 0.473 174.893 174.600 -0.299 0.000 1.242 719 S CA -0.408 57.463 58.200 -0.549 0.000 1.231 719 S CB -0.300 62.350 63.200 -0.916 0.000 1.067 719 S HN 0.689 nan 8.310 nan 0.000 0.462 720 S N 0.840 116.434 115.700 -0.177 0.000 2.859 720 S HA 0.265 4.713 4.470 -0.036 0.000 0.245 720 S C 0.748 175.278 174.600 -0.117 0.000 1.008 720 S CA 0.050 58.181 58.200 -0.115 0.000 1.089 720 S CB -0.890 62.267 63.200 -0.072 0.000 0.798 720 S HN 0.705 nan 8.310 nan 0.000 0.477 721 E N -0.154 119.969 120.200 -0.129 0.000 5.086 721 E HA -0.338 3.990 4.350 -0.036 0.000 0.187 721 E C 1.070 177.550 176.600 -0.200 0.000 1.056 721 E CA 2.137 58.467 56.400 -0.117 0.000 2.105 721 E CB -1.579 28.059 29.700 -0.103 0.000 1.787 721 E HN 0.792 nan 8.360 nan 0.000 0.445 722 E N 0.835 120.889 120.200 -0.243 0.000 2.033 722 E HA -0.048 4.281 4.350 -0.036 0.000 0.189 722 E C 2.222 178.440 176.600 -0.637 0.000 0.979 722 E CA 1.220 57.331 56.400 -0.482 0.000 0.802 722 E CB -0.026 29.541 29.700 -0.222 0.000 0.763 722 E HN 0.247 nan 8.360 nan 0.000 0.449 723 L N 0.544 121.626 121.223 -0.237 0.000 1.955 723 L HA -0.244 4.075 4.340 -0.036 0.000 0.213 723 L C 2.566 179.458 176.870 0.036 0.000 1.072 723 L CA 1.750 56.551 54.840 -0.064 0.000 0.755 723 L CB -0.653 41.387 42.059 -0.032 0.000 0.888 723 L HN 0.264 nan 8.230 nan 0.000 0.432 724 H N -0.691 118.356 119.070 -0.039 0.000 2.319 724 H HA -0.229 4.305 4.556 -0.037 0.000 0.297 724 H C 1.981 177.380 175.328 0.117 0.000 1.097 724 H CA 1.369 57.471 56.048 0.091 0.000 1.285 724 H CB 0.129 29.901 29.762 0.016 0.000 1.368 724 H HN 0.386 nan 8.280 nan 0.000 0.495 725 D N -0.181 120.224 120.400 0.008 0.000 2.092 725 D HA -0.167 4.451 4.640 -0.036 0.000 0.193 725 D C 1.864 178.230 176.300 0.111 0.000 0.994 725 D CA 1.348 55.312 54.000 -0.061 0.000 0.828 725 D CB -0.450 40.203 40.800 -0.245 0.000 0.963 725 D HN 0.504 nan 8.370 nan 0.000 0.450 726 Y N 0.346 120.734 120.300 0.148 0.000 2.274 726 Y HA -0.116 4.412 4.550 -0.036 0.000 0.290 726 Y C 2.299 178.302 175.900 0.173 0.000 1.145 726 Y CA -0.127 58.053 58.100 0.134 0.000 1.203 726 Y CB -0.201 38.314 38.460 0.092 0.000 0.984 726 Y HN -0.031 nan 8.280 nan 0.000 0.533 727 L N -0.988 120.434 121.223 0.331 0.000 1.956 727 L HA -0.261 4.058 4.340 -0.036 0.000 0.216 727 L C 2.090 179.101 176.870 0.236 0.000 1.073 727 L CA 1.585 56.561 54.840 0.226 0.000 0.762 727 L CB -0.802 41.322 42.059 0.109 0.000 0.889 727 L HN 0.159 nan 8.230 nan 0.000 0.433 728 F N -0.406 119.678 119.950 0.224 0.000 2.259 728 F HA -0.095 4.412 4.527 -0.035 0.000 0.298 728 F C 2.465 178.392 175.800 0.210 0.000 1.088 728 F CA 0.631 58.755 58.000 0.205 0.000 1.358 728 F CB -0.832 38.222 39.000 0.091 0.000 1.040 728 F HN 0.102 nan 8.300 nan 0.000 0.505 729 N N 0.644 119.564 118.700 0.367 0.000 2.104 729 N HA -0.155 4.563 4.740 -0.036 0.000 0.190 729 N C 1.945 177.654 175.510 0.332 0.000 1.024 729 N CA 1.177 54.410 53.050 0.304 0.000 0.853 729 N CB -0.253 38.402 38.487 0.280 0.000 1.008 729 N HN 0.327 nan 8.380 nan 0.000 0.424 730 R N 0.394 121.068 120.500 0.290 0.000 2.119 730 R HA 0.095 4.413 4.340 -0.036 0.000 0.222 730 R C 2.327 178.779 176.300 0.253 0.000 1.088 730 R CA 0.335 56.578 56.100 0.238 0.000 0.984 730 R CB -0.311 30.099 30.300 0.185 0.000 0.884 730 R HN 0.199 nan 8.270 nan 0.000 0.447 731 L N -0.702 120.681 121.223 0.266 0.000 2.127 731 L HA -0.222 4.096 4.340 -0.036 0.000 0.211 731 L C 1.958 179.025 176.870 0.328 0.000 1.089 731 L CA 1.342 56.304 54.840 0.203 0.000 0.757 731 L CB -0.328 41.805 42.059 0.123 0.000 0.899 731 L HN 0.250 nan 8.230 nan 0.000 0.434 732 W N 0.325 121.709 121.300 0.141 0.000 2.476 732 W HA -0.104 4.534 4.660 -0.036 0.000 0.319 732 W C 2.660 179.239 176.519 0.100 0.000 1.132 732 W CA 1.086 58.502 57.345 0.117 0.000 1.325 732 W CB -0.895 28.643 29.460 0.130 0.000 1.215 732 W HN 0.045 nan 8.180 nan 0.000 0.460 733 E N 0.141 120.579 120.200 0.396 0.000 2.136 733 E HA -0.312 4.017 4.350 -0.036 0.000 0.208 733 E C 2.004 178.679 176.600 0.125 0.000 1.035 733 E CA 2.318 58.848 56.400 0.217 0.000 0.838 733 E CB -0.137 29.681 29.700 0.197 0.000 0.748 733 E HN 0.129 nan 8.360 nan 0.000 0.459 734 E N -0.316 119.974 120.200 0.151 0.000 2.006 734 E HA -0.190 4.138 4.350 -0.036 0.000 0.192 734 E C 1.961 178.630 176.600 0.115 0.000 0.993 734 E CA 1.039 57.508 56.400 0.115 0.000 0.808 734 E CB -0.660 29.119 29.700 0.132 0.000 0.764 734 E HN 0.415 nan 8.360 nan 0.000 0.449 735 Y N 2.355 122.650 120.300 -0.009 0.000 2.569 735 Y HA -0.172 4.356 4.550 -0.037 0.000 0.293 735 Y C 2.362 178.189 175.900 -0.120 0.000 1.144 735 Y CA 1.137 59.200 58.100 -0.063 0.000 1.321 735 Y CB -0.036 38.380 38.460 -0.073 0.000 0.982 735 Y HN 0.095 nan 8.280 nan 0.000 0.558 736 Q N 0.577 120.326 119.800 -0.085 0.000 1.946 736 Q HA -0.154 4.164 4.340 -0.036 0.000 0.199 736 Q C 2.106 177.934 176.000 -0.286 0.000 0.979 736 Q CA 1.403 57.077 55.803 -0.214 0.000 0.834 736 Q CB -0.267 28.402 28.738 -0.115 0.000 0.899 736 Q HN 0.403 nan 8.270 nan 0.000 0.431 737 R N 0.354 120.742 120.500 -0.186 0.000 2.120 737 R HA -0.116 4.203 4.340 -0.036 0.000 0.234 737 R C 2.377 178.557 176.300 -0.201 0.000 1.123 737 R CA 1.347 57.329 56.100 -0.198 0.000 0.975 737 R CB -0.139 30.097 30.300 -0.106 0.000 0.866 737 R HN 0.099 nan 8.270 nan 0.000 0.446 738 K N 1.120 121.417 120.400 -0.171 0.000 2.147 738 K HA -0.146 4.152 4.320 -0.036 0.000 0.205 738 K C 1.708 178.142 176.600 -0.275 0.000 1.049 738 K CA 1.386 57.575 56.287 -0.164 0.000 0.936 738 K CB 0.123 32.572 32.500 -0.085 0.000 0.722 738 K HN -0.188 nan 8.250 nan 0.000 0.446 739 K N -0.092 120.069 120.400 -0.399 0.000 2.379 739 K HA 0.092 4.390 4.320 -0.036 0.000 0.194 739 K C 1.603 178.002 176.600 -0.334 0.000 1.031 739 K CA 0.362 56.407 56.287 -0.403 0.000 1.037 739 K CB 0.229 32.430 32.500 -0.498 0.000 0.824 739 K HN 0.067 nan 8.250 nan 0.000 0.516 740 Q N 1.268 120.803 119.800 -0.442 0.000 2.437 740 Q HA -0.171 4.147 4.340 -0.036 0.000 0.210 740 Q C 0.895 176.760 176.000 -0.225 0.000 0.972 740 Q CA 1.142 56.617 55.803 -0.547 0.000 0.903 740 Q CB 0.116 28.582 28.738 -0.454 0.000 0.967 740 Q HN 0.604 nan 8.270 nan 0.000 0.486 741 E N -0.315 119.786 120.200 -0.165 0.000 2.233 741 E HA -0.233 4.095 4.350 -0.036 0.000 0.199 741 E C 1.604 178.182 176.600 -0.037 0.000 1.004 741 E CA 1.162 57.508 56.400 -0.089 0.000 0.819 741 E CB -0.517 29.130 29.700 -0.088 0.000 0.738 741 E HN 0.250 nan 8.360 nan 0.000 0.478 742 I N 1.157 121.732 120.570 0.008 0.000 2.091 742 I HA -0.127 4.021 4.170 -0.036 0.000 0.239 742 I C 1.434 177.576 176.117 0.042 0.000 1.061 742 I CA 2.323 63.656 61.300 0.055 0.000 1.317 742 I CB -0.707 37.388 38.000 0.158 0.000 1.031 742 I HN 0.418 nan 8.210 nan 0.000 0.401 743 G N -1.723 107.118 108.800 0.068 0.000 2.347 743 G HA2 0.034 3.972 3.960 -0.036 0.000 0.303 743 G HA3 0.034 3.972 3.960 -0.036 0.000 0.303 743 G C 0.138 175.072 174.900 0.057 0.000 1.481 743 G CA -0.438 44.684 45.100 0.036 0.000 0.914 743 G HN -0.131 nan 8.290 nan 0.000 0.638 744 E N -0.157 120.058 120.200 0.025 0.000 2.187 744 E HA -0.160 4.169 4.350 -0.036 0.000 0.199 744 E C 1.829 178.450 176.600 0.036 0.000 1.004 744 E CA 1.577 57.992 56.400 0.025 0.000 0.813 744 E CB -0.008 29.696 29.700 0.007 0.000 0.736 744 E HN 0.552 nan 8.360 nan 0.000 0.468 745 D N -0.480 119.930 120.400 0.017 0.000 2.271 745 D HA -0.201 4.417 4.640 -0.036 0.000 0.207 745 D C 1.624 177.909 176.300 -0.025 0.000 0.983 745 D CA 0.560 54.546 54.000 -0.023 0.000 0.878 745 D CB -0.359 40.409 40.800 -0.052 0.000 0.920 745 D HN 0.307 nan 8.370 nan 0.000 0.479 746 Y N 1.959 122.208 120.300 -0.085 0.000 2.348 746 Y HA -0.270 4.258 4.550 -0.037 0.000 0.285 746 Y C 2.376 178.225 175.900 -0.086 0.000 1.173 746 Y CA 1.365 59.410 58.100 -0.092 0.000 1.263 746 Y CB -0.164 38.247 38.460 -0.082 0.000 0.974 746 Y HN -0.100 nan 8.280 nan 0.000 0.547 747 R N 0.776 121.344 120.500 0.113 0.000 2.094 747 R HA -0.200 4.118 4.340 -0.036 0.000 0.239 747 R C 1.772 178.066 176.300 -0.009 0.000 1.137 747 R CA 2.189 58.328 56.100 0.066 0.000 0.943 747 R CB -0.282 30.038 30.300 0.033 0.000 0.850 747 R HN 0.249 nan 8.270 nan 0.000 0.433 748 K N 0.403 120.744 120.400 -0.097 0.000 2.555 748 K HA 0.006 4.304 4.320 -0.036 0.000 0.193 748 K C 1.736 178.148 176.600 -0.313 0.000 1.032 748 K CA 0.367 56.541 56.287 -0.188 0.000 1.004 748 K CB 0.361 32.703 32.500 -0.264 0.000 0.804 748 K HN 0.099 nan 8.250 nan 0.000 0.496 749 V N 2.164 121.912 119.914 -0.277 0.000 2.244 749 V HA -0.249 3.849 4.120 -0.036 0.000 0.244 749 V C 2.243 178.264 176.094 -0.122 0.000 1.042 749 V CA 1.854 63.962 62.300 -0.320 0.000 1.006 749 V CB -0.553 30.953 31.823 -0.528 0.000 0.641 749 V HN 0.416 nan 8.190 nan 0.000 0.446 750 I N -0.686 119.864 120.570 -0.034 0.000 2.502 750 I HA -0.279 3.869 4.170 -0.036 0.000 0.258 750 I C 2.510 178.665 176.117 0.063 0.000 1.172 750 I CA 1.761 63.088 61.300 0.045 0.000 1.430 750 I CB -0.441 37.611 38.000 0.086 0.000 1.086 750 I HN 0.130 nan 8.210 nan 0.000 0.440 751 R N 1.417 121.938 120.500 0.036 0.000 2.109 751 R HA -0.122 4.196 4.340 -0.036 0.000 0.227 751 R C 2.147 178.579 176.300 0.221 0.000 1.132 751 R CA 2.479 58.635 56.100 0.092 0.000 0.907 751 R CB -1.013 29.310 30.300 0.038 0.000 0.825 751 R HN 0.442 nan 8.270 nan 0.000 0.432 752 F N 0.105 120.060 119.950 0.007 0.000 2.043 752 F HA -0.361 4.144 4.527 -0.037 0.000 0.297 752 F C 2.089 177.905 175.800 0.028 0.000 1.118 752 F CA 0.473 58.480 58.000 0.012 0.000 1.202 752 F CB -0.318 38.681 39.000 -0.002 0.000 0.965 752 F HN 0.089 nan 8.300 nan 0.000 0.482 753 L N -0.323 121.051 121.223 0.253 0.000 1.934 753 L HA -0.317 4.001 4.340 -0.036 0.000 0.227 753 L C 2.461 179.398 176.870 0.111 0.000 1.084 753 L CA 1.781 56.722 54.840 0.168 0.000 0.790 753 L CB -1.479 40.660 42.059 0.133 0.000 0.896 753 L HN 0.216 nan 8.230 nan 0.000 0.437 754 M N -0.590 119.064 119.600 0.090 0.000 2.894 754 M HA -0.300 4.159 4.480 -0.036 0.000 0.268 754 M C 2.386 178.728 176.300 0.069 0.000 1.054 754 M CA 1.934 57.270 55.300 0.061 0.000 1.062 754 M CB -1.687 30.938 32.600 0.043 0.000 1.242 754 M HN 0.170 nan 8.290 nan 0.000 0.508 755 L N -0.475 120.796 121.223 0.081 0.000 1.941 755 L HA -0.237 4.081 4.340 -0.036 0.000 0.224 755 L C 2.613 179.528 176.870 0.074 0.000 1.081 755 L CA 2.030 56.917 54.840 0.078 0.000 0.784 755 L CB -1.172 40.935 42.059 0.080 0.000 0.894 755 L HN 0.293 nan 8.230 nan 0.000 0.436 756 R N -0.662 119.875 120.500 0.062 0.000 2.136 756 R HA -0.231 4.087 4.340 -0.036 0.000 0.242 756 R C 2.195 178.516 176.300 0.036 0.000 1.131 756 R CA 1.772 57.891 56.100 0.032 0.000 0.937 756 R CB -0.700 29.608 30.300 0.013 0.000 0.863 756 R HN 0.253 nan 8.270 nan 0.000 0.435 757 I N 0.896 121.488 120.570 0.036 0.000 2.118 757 I HA -0.305 3.843 4.170 -0.036 0.000 0.241 757 I C 2.491 178.718 176.117 0.184 0.000 1.070 757 I CA 1.547 62.861 61.300 0.023 0.000 1.327 757 I CB -0.947 37.046 38.000 -0.013 0.000 1.034 757 I HN 0.251 nan 8.210 nan 0.000 0.405 758 I N 0.285 120.954 120.570 0.165 0.000 2.113 758 I HA -0.337 3.811 4.170 -0.036 0.000 0.238 758 I C 2.402 178.659 176.117 0.234 0.000 1.070 758 I CA 1.598 63.013 61.300 0.193 0.000 1.332 758 I CB -0.366 37.698 38.000 0.107 0.000 1.044 758 I HN 0.239 nan 8.210 nan 0.000 0.402 759 D N 0.799 121.308 120.400 0.182 0.000 2.126 759 D HA -0.282 4.336 4.640 -0.036 0.000 0.190 759 D C 1.664 178.066 176.300 0.171 0.000 1.001 759 D CA 2.034 56.155 54.000 0.201 0.000 0.841 759 D CB -0.331 40.537 40.800 0.114 0.000 0.949 759 D HN 0.352 nan 8.370 nan 0.000 0.446 760 D N -1.070 119.378 120.400 0.080 0.000 2.156 760 D HA -0.212 4.407 4.640 -0.036 0.000 0.190 760 D C 1.991 178.306 176.300 0.027 0.000 0.998 760 D CA 2.013 56.008 54.000 -0.007 0.000 0.842 760 D CB -0.422 40.312 40.800 -0.110 0.000 0.974 760 D HN 0.348 nan 8.370 nan 0.000 0.447 761 H N -0.814 118.314 119.070 0.097 0.000 2.255 761 H HA -0.174 4.360 4.556 -0.036 0.000 0.290 761 H C 1.903 177.374 175.328 0.239 0.000 1.087 761 H CA 2.203 58.341 56.048 0.150 0.000 1.213 761 H CB -0.610 29.217 29.762 0.108 0.000 1.349 761 H HN 0.419 nan 8.280 nan 0.000 0.487 762 W N 2.461 123.854 121.300 0.154 0.000 2.292 762 W HA -0.350 4.290 4.660 -0.034 0.000 0.330 762 W C 2.700 179.218 176.519 -0.002 0.000 1.264 762 W CA 1.829 59.208 57.345 0.056 0.000 1.235 762 W CB -0.218 29.259 29.460 0.028 0.000 1.164 762 W HN 0.257 nan 8.180 nan 0.000 0.461 763 R N 0.533 120.878 120.500 -0.257 0.000 2.133 763 R HA -0.218 4.100 4.340 -0.036 0.000 0.247 763 R C 2.274 178.362 176.300 -0.354 0.000 1.151 763 R CA 1.966 57.779 56.100 -0.477 0.000 0.971 763 R CB -1.053 29.107 30.300 -0.233 0.000 0.866 763 R HN 0.247 nan 8.270 nan 0.000 0.447 764 R N -0.193 120.215 120.500 -0.153 0.000 2.075 764 R HA -0.147 4.171 4.340 -0.036 0.000 0.230 764 R C 2.039 178.239 176.300 -0.168 0.000 1.140 764 R CA 1.996 58.024 56.100 -0.120 0.000 0.928 764 R CB -0.639 29.657 30.300 -0.006 0.000 0.834 764 R HN 0.264 nan 8.270 nan 0.000 0.429 765 Y N 0.902 121.105 120.300 -0.161 0.000 2.651 765 Y HA -0.138 4.390 4.550 -0.037 0.000 0.296 765 Y C 1.980 177.665 175.900 -0.358 0.000 1.150 765 Y CA 0.806 58.820 58.100 -0.143 0.000 1.348 765 Y CB -0.095 38.409 38.460 0.073 0.000 0.983 765 Y HN 0.143 nan 8.280 nan 0.000 0.555 766 L N -0.626 120.274 121.223 -0.538 0.000 2.209 766 L HA -0.106 4.212 4.340 -0.036 0.000 0.207 766 L C 2.391 179.012 176.870 -0.415 0.000 1.094 766 L CA 1.048 55.464 54.840 -0.708 0.000 0.790 766 L CB -0.169 41.283 42.059 -1.010 0.000 0.932 766 L HN 0.179 nan 8.230 nan 0.000 0.447 767 E N -0.051 119.921 120.200 -0.380 0.000 2.085 767 E HA -0.325 4.003 4.350 -0.036 0.000 0.194 767 E C 1.882 178.216 176.600 -0.443 0.000 0.994 767 E CA 1.519 57.709 56.400 -0.350 0.000 0.801 767 E CB 0.091 29.596 29.700 -0.324 0.000 0.743 767 E HN 0.373 nan 8.360 nan 0.000 0.453 768 E N -0.151 119.782 120.200 -0.445 0.000 2.268 768 E HA -0.096 4.232 4.350 -0.036 0.000 0.195 768 E C 1.827 178.321 176.600 -0.178 0.000 0.995 768 E CA 0.547 56.691 56.400 -0.426 0.000 0.836 768 E CB 0.087 29.526 29.700 -0.434 0.000 0.763 768 E HN 0.146 nan 8.360 nan 0.000 0.491 769 V N 0.524 120.360 119.914 -0.129 0.000 2.626 769 V HA -0.182 3.916 4.120 -0.036 0.000 0.252 769 V C 2.165 178.302 176.094 0.071 0.000 1.067 769 V CA 1.810 64.132 62.300 0.037 0.000 1.081 769 V CB -0.384 31.433 31.823 -0.009 0.000 0.686 769 V HN 0.225 nan 8.190 nan 0.000 0.468 770 E N -0.056 120.127 120.200 -0.030 0.000 2.107 770 E HA -0.158 4.171 4.350 -0.036 0.000 0.191 770 E C 2.088 178.765 176.600 0.128 0.000 0.982 770 E CA 1.427 57.839 56.400 0.020 0.000 0.809 770 E CB -0.324 29.370 29.700 -0.011 0.000 0.756 770 E HN 0.749 nan 8.360 nan 0.000 0.459 771 H N -1.087 117.970 119.070 -0.022 0.000 2.387 771 H HA -0.057 4.477 4.556 -0.037 0.000 0.299 771 H C 1.935 177.274 175.328 0.018 0.000 1.090 771 H CA 1.040 57.080 56.048 -0.013 0.000 1.332 771 H CB 0.353 30.096 29.762 -0.031 0.000 1.386 771 H HN 0.051 nan 8.280 nan 0.000 0.516 772 V N 1.369 121.399 119.914 0.194 0.000 2.594 772 V HA -0.216 3.882 4.120 -0.036 0.000 0.253 772 V C 1.991 178.170 176.094 0.142 0.000 1.069 772 V CA 1.488 63.919 62.300 0.218 0.000 1.082 772 V CB -0.348 31.690 31.823 0.358 0.000 0.680 772 V HN 0.385 nan 8.190 nan 0.000 0.469 773 K N 0.388 120.813 120.400 0.040 0.000 2.280 773 K HA -0.207 4.091 4.320 -0.036 0.000 0.202 773 K C 2.211 178.769 176.600 -0.070 0.000 1.047 773 K CA 1.381 57.588 56.287 -0.134 0.000 0.942 773 K CB -0.150 32.282 32.500 -0.113 0.000 0.739 773 K HN 0.637 nan 8.250 nan 0.000 0.457 774 E N 1.465 121.665 120.200 -0.001 0.000 2.107 774 E HA -0.141 4.187 4.350 -0.036 0.000 0.191 774 E C 1.855 178.453 176.600 -0.004 0.000 0.982 774 E CA 1.215 57.611 56.400 -0.007 0.000 0.809 774 E CB -0.070 29.626 29.700 -0.007 0.000 0.756 774 E HN 0.185 nan 8.360 nan 0.000 0.459 775 A N 1.812 124.650 122.820 0.029 0.000 1.972 775 A HA -0.115 4.183 4.320 -0.036 0.000 0.219 775 A C 2.464 180.060 177.584 0.020 0.000 1.169 775 A CA 1.874 53.936 52.037 0.041 0.000 0.635 775 A CB -0.852 18.202 19.000 0.089 0.000 0.810 775 A HN 0.350 nan 8.150 nan 0.000 0.446 776 V N -2.872 117.038 119.914 -0.007 0.000 3.380 776 V HA -0.042 4.056 4.120 -0.036 0.000 0.268 776 V C 1.681 177.725 176.094 -0.082 0.000 1.168 776 V CA 1.831 64.104 62.300 -0.045 0.000 1.156 776 V CB -0.370 31.366 31.823 -0.146 0.000 0.785 776 V HN 0.566 nan 8.190 nan 0.000 0.487 777 Q N -0.227 119.528 119.800 -0.076 0.000 2.425 777 Q HA 0.193 4.511 4.340 -0.036 0.000 0.204 777 Q C 1.704 177.629 176.000 -0.124 0.000 0.933 777 Q CA 0.748 56.498 55.803 -0.088 0.000 0.939 777 Q CB 0.347 29.054 28.738 -0.051 0.000 1.044 777 Q HN 0.754 nan 8.270 nan 0.000 0.513 778 L N -0.255 120.908 121.223 -0.100 0.000 2.286 778 L HA 0.004 4.322 4.340 -0.036 0.000 0.203 778 L C 2.429 179.200 176.870 -0.166 0.000 1.068 778 L CA 0.463 55.241 54.840 -0.103 0.000 0.811 778 L CB -0.386 41.661 42.059 -0.019 0.000 0.989 778 L HN 0.099 nan 8.230 nan 0.000 0.467 779 R N 0.429 120.863 120.500 -0.110 0.000 2.153 779 R HA -0.215 4.103 4.340 -0.036 0.000 0.252 779 R C 1.993 178.183 176.300 -0.182 0.000 1.158 779 R CA 1.794 57.840 56.100 -0.090 0.000 0.975 779 R CB -1.374 28.902 30.300 -0.041 0.000 0.871 779 R HN 0.146 nan 8.270 nan 0.000 0.450 780 S N 0.059 115.544 115.700 -0.358 0.000 2.422 780 S HA -0.192 4.256 4.470 -0.036 0.000 0.241 780 S C -0.008 174.307 174.600 -0.475 0.000 1.076 780 S CA 1.747 59.610 58.200 -0.561 0.000 1.066 780 S CB -0.415 62.161 63.200 -1.039 0.000 0.890 780 S HN 0.458 nan 8.310 nan 0.000 0.465 781 Y N -0.502 119.809 120.300 0.019 0.000 2.409 781 Y HA 0.657 5.186 4.550 -0.034 0.000 0.343 781 Y C 0.965 176.877 175.900 0.019 0.000 0.973 781 Y CA -0.677 57.433 58.100 0.017 0.000 1.064 781 Y CB 1.257 39.725 38.460 0.015 0.000 1.207 781 Y HN 0.164 nan 8.280 nan 0.000 0.452 782 G N 1.198 110.093 108.800 0.158 0.000 3.355 782 G HA2 -0.227 3.712 3.960 -0.036 0.000 0.247 782 G HA3 -0.227 3.712 3.960 -0.036 0.000 0.247 782 G C 0.173 175.111 174.900 0.063 0.000 1.818 782 G CA -0.003 45.154 45.100 0.095 0.000 1.309 782 G HN 0.720 nan 8.290 nan 0.000 0.546 783 Q N 0.906 120.735 119.800 0.048 0.000 2.677 783 Q HA 0.460 4.778 4.340 -0.036 0.000 0.187 783 Q C 1.231 177.250 176.000 0.032 0.000 1.146 783 Q CA 0.040 55.865 55.803 0.037 0.000 1.224 783 Q CB 0.263 29.022 28.738 0.035 0.000 1.268 783 Q HN 0.533 nan 8.270 nan 0.000 0.674 784 K N -0.401 120.016 120.400 0.029 0.000 2.633 784 K HA -0.064 4.234 4.320 -0.036 0.000 0.283 784 K C -0.161 176.449 176.600 0.017 0.000 1.081 784 K CA 0.912 57.214 56.287 0.026 0.000 0.923 784 K CB 0.174 32.690 32.500 0.028 0.000 1.110 784 K HN 0.590 nan 8.250 nan 0.000 0.480 785 D N -0.252 120.159 120.400 0.018 0.000 2.567 785 D HA 0.059 4.677 4.640 -0.036 0.000 0.268 785 D C -2.227 174.086 176.300 0.023 0.000 1.448 785 D CA -0.154 53.851 54.000 0.008 0.000 0.811 785 D CB 0.760 41.560 40.800 0.000 0.000 1.192 785 D HN 0.345 nan 8.370 nan 0.000 0.488 786 P HA 0.358 nan 4.420 nan 0.000 0.206 786 P C 0.465 177.808 177.300 0.073 0.000 1.854 786 P CA -0.367 62.763 63.100 0.050 0.000 0.969 786 P CB -0.212 31.516 31.700 0.045 0.000 1.843 787 I N -2.166 118.454 120.570 0.083 0.000 5.742 787 I HA -0.370 3.778 4.170 -0.036 0.000 0.228 787 I C 1.694 177.912 176.117 0.168 0.000 1.807 787 I CA 0.416 61.801 61.300 0.143 0.000 1.937 787 I CB -2.237 35.868 38.000 0.175 0.000 3.356 787 I HN -0.028 nan 8.210 nan 0.000 0.226 788 V N 0.618 120.598 119.914 0.110 0.000 2.250 788 V HA -0.401 3.697 4.120 -0.036 0.000 0.240 788 V C 2.417 178.584 176.094 0.122 0.000 1.025 788 V CA 2.564 64.920 62.300 0.093 0.000 0.999 788 V CB -0.533 31.328 31.823 0.063 0.000 0.646 788 V HN 0.703 nan 8.190 nan 0.000 0.470 789 E N -0.902 119.368 120.200 0.117 0.000 2.197 789 E HA -0.318 4.010 4.350 -0.036 0.000 0.205 789 E C 1.968 178.689 176.600 0.202 0.000 1.029 789 E CA 2.096 58.574 56.400 0.131 0.000 0.828 789 E CB -0.213 29.553 29.700 0.109 0.000 0.737 789 E HN 0.527 nan 8.360 nan 0.000 0.464 790 F N 1.363 121.352 119.950 0.065 0.000 2.084 790 F HA -0.099 4.408 4.527 -0.032 0.000 0.296 790 F C 2.322 178.199 175.800 0.129 0.000 1.111 790 F CA 1.920 59.973 58.000 0.088 0.000 1.224 790 F CB -0.436 38.609 39.000 0.076 0.000 0.991 790 F HN -0.146 nan 8.300 nan 0.000 0.471 791 K N 0.922 121.373 120.400 0.085 0.000 2.063 791 K HA -0.257 4.042 4.320 -0.036 0.000 0.208 791 K C 2.116 178.738 176.600 0.036 0.000 1.048 791 K CA 2.116 58.411 56.287 0.013 0.000 0.928 791 K CB -0.300 32.227 32.500 0.046 0.000 0.713 791 K HN 0.438 nan 8.250 nan 0.000 0.442 792 K N -0.467 119.966 120.400 0.055 0.000 2.211 792 K HA -0.093 4.206 4.320 -0.036 0.000 0.203 792 K C 1.346 178.048 176.600 0.171 0.000 1.050 792 K CA 1.253 57.592 56.287 0.086 0.000 0.945 792 K CB 0.131 32.682 32.500 0.085 0.000 0.732 792 K HN 0.096 nan 8.250 nan 0.000 0.451 793 E N 1.074 121.347 120.200 0.122 0.000 2.276 793 E HA -0.051 4.277 4.350 -0.036 0.000 0.193 793 E C 2.104 178.767 176.600 0.105 0.000 0.983 793 E CA 1.458 57.940 56.400 0.136 0.000 0.861 793 E CB 0.071 29.829 29.700 0.097 0.000 0.817 793 E HN 0.604 nan 8.360 nan 0.000 0.485 794 T N -1.006 113.510 114.554 -0.064 0.000 2.788 794 T HA -0.169 4.159 4.350 -0.036 0.000 0.268 794 T C 1.823 176.595 174.700 0.121 0.000 1.044 794 T CA 1.012 63.028 62.100 -0.141 0.000 1.139 794 T CB -0.444 68.197 68.868 -0.377 0.000 0.867 794 T HN 0.052 nan 8.240 nan 0.000 0.454 795 Y N -0.413 119.937 120.300 0.083 0.000 2.365 795 Y HA 0.213 4.763 4.550 0.000 0.000 0.293 795 Y C 2.396 178.410 175.900 0.191 0.000 1.119 795 Y CA -0.575 57.631 58.100 0.177 0.000 1.203 795 Y CB -0.722 37.789 38.460 0.085 0.000 1.026 795 Y HN 0.149 nan 8.280 nan 0.000 0.549 796 Y N 0.499 120.924 120.300 0.208 0.000 2.081 796 Y HA -0.369 4.159 4.550 -0.037 0.000 0.280 796 Y C 2.737 178.719 175.900 0.138 0.000 1.163 796 Y CA 2.097 60.280 58.100 0.138 0.000 1.135 796 Y CB -0.518 38.010 38.460 0.114 0.000 0.970 796 Y HN 0.153 nan 8.280 nan 0.000 0.498 797 M N -1.622 118.224 119.600 0.410 0.000 2.229 797 M HA -0.206 4.252 4.480 -0.036 0.000 0.264 797 M C 1.820 178.270 176.300 0.249 0.000 1.063 797 M CA 1.684 57.192 55.300 0.346 0.000 1.114 797 M CB -0.601 32.213 32.600 0.356 0.000 1.387 797 M HN 0.322 nan 8.290 nan 0.000 0.420 798 F N 1.806 121.763 119.950 0.012 0.000 2.146 798 F HA -0.176 4.324 4.527 -0.045 0.000 0.298 798 F C 2.036 177.745 175.800 -0.153 0.000 1.096 798 F CA 1.634 59.548 58.000 -0.143 0.000 1.275 798 F CB -0.856 37.947 39.000 -0.328 0.000 1.008 798 F HN 0.256 nan 8.300 nan 0.000 0.480 799 D N -0.014 120.412 120.400 0.044 0.000 2.103 799 D HA -0.164 4.454 4.640 -0.036 0.000 0.199 799 D C 2.228 178.489 176.300 -0.066 0.000 0.978 799 D CA 1.148 55.089 54.000 -0.099 0.000 0.829 799 D CB -0.170 40.559 40.800 -0.118 0.000 0.981 799 D HN 0.442 nan 8.370 nan 0.000 0.464 800 E N -0.408 119.793 120.200 0.001 0.000 2.058 800 E HA -0.248 4.080 4.350 -0.036 0.000 0.194 800 E C 2.077 178.577 176.600 -0.166 0.000 0.997 800 E CA 1.169 57.559 56.400 -0.018 0.000 0.801 800 E CB -0.129 29.634 29.700 0.105 0.000 0.746 800 E HN 0.137 nan 8.360 nan 0.000 0.450 801 M N 0.175 119.625 119.600 -0.249 0.000 2.352 801 M HA -0.287 4.171 4.480 -0.036 0.000 0.260 801 M C 1.995 178.164 176.300 -0.217 0.000 1.068 801 M CA 2.071 57.163 55.300 -0.348 0.000 1.082 801 M CB -0.260 32.281 32.600 -0.098 0.000 1.262 801 M HN 0.176 nan 8.290 nan 0.000 0.444 802 M N -0.279 119.247 119.600 -0.125 0.000 2.082 802 M HA -0.240 4.218 4.480 -0.036 0.000 0.258 802 M C 2.295 178.504 176.300 -0.153 0.000 1.071 802 M CA 1.919 57.134 55.300 -0.142 0.000 1.103 802 M CB -1.915 30.589 32.600 -0.159 0.000 1.307 802 M HN 0.413 nan 8.290 nan 0.000 0.409 803 R N 0.611 121.035 120.500 -0.127 0.000 2.117 803 R HA -0.153 4.165 4.340 -0.036 0.000 0.243 803 R C 2.203 178.451 176.300 -0.087 0.000 1.143 803 R CA 1.475 57.520 56.100 -0.091 0.000 0.968 803 R CB -0.317 29.941 30.300 -0.071 0.000 0.863 803 R HN 0.379 nan 8.270 nan 0.000 0.444 804 R N 0.307 120.725 120.500 -0.137 0.000 2.083 804 R HA -0.126 4.192 4.340 -0.036 0.000 0.237 804 R C 2.449 178.563 176.300 -0.310 0.000 1.137 804 R CA 1.629 57.638 56.100 -0.152 0.000 0.951 804 R CB -0.739 29.458 30.300 -0.172 0.000 0.851 804 R HN 0.324 nan 8.270 nan 0.000 0.434 805 I N 1.531 121.795 120.570 -0.509 0.000 2.053 805 I HA -0.388 3.760 4.170 -0.036 0.000 0.236 805 I C 2.083 178.100 176.117 -0.167 0.000 1.038 805 I CA 1.520 62.499 61.300 -0.535 0.000 1.304 805 I CB -0.716 37.106 38.000 -0.297 0.000 1.023 805 I HN 0.182 nan 8.210 nan 0.000 0.395 806 N N 0.896 119.560 118.700 -0.059 0.000 2.133 806 N HA -0.226 4.492 4.740 -0.036 0.000 0.193 806 N C 1.408 177.032 175.510 0.190 0.000 1.012 806 N CA 1.738 54.837 53.050 0.082 0.000 0.871 806 N CB -0.545 38.002 38.487 0.100 0.000 1.011 806 N HN 0.472 nan 8.380 nan 0.000 0.435 807 D N 0.083 120.583 120.400 0.167 0.000 2.077 807 D HA -0.075 4.543 4.640 -0.036 0.000 0.197 807 D C 1.746 178.202 176.300 0.260 0.000 0.983 807 D CA 1.380 55.550 54.000 0.283 0.000 0.841 807 D CB -0.425 40.520 40.800 0.241 0.000 0.992 807 D HN 0.213 nan 8.370 nan 0.000 0.450 808 T N 2.497 117.161 114.554 0.184 0.000 2.652 808 T HA -0.142 4.187 4.350 -0.036 0.000 0.267 808 T C 1.973 176.674 174.700 0.002 0.000 1.039 808 T CA 0.348 62.524 62.100 0.126 0.000 1.153 808 T CB -0.324 68.620 68.868 0.128 0.000 0.863 808 T HN 0.112 nan 8.240 nan 0.000 0.428 809 I N 1.603 122.173 120.570 0.001 0.000 2.300 809 I HA -0.238 3.911 4.170 -0.036 0.000 0.252 809 I C 2.373 178.533 176.117 0.071 0.000 1.119 809 I CA 1.545 62.846 61.300 0.002 0.000 1.384 809 I CB -1.155 36.863 38.000 0.031 0.000 1.062 809 I HN 0.205 nan 8.210 nan 0.000 0.426 810 A N 1.040 123.927 122.820 0.112 0.000 1.819 810 A HA -0.271 4.027 4.320 -0.036 0.000 0.215 810 A C 2.105 179.625 177.584 -0.107 0.000 1.226 810 A CA 1.718 53.799 52.037 0.073 0.000 0.608 810 A CB -1.357 17.791 19.000 0.247 0.000 0.877 810 A HN 0.539 nan 8.150 nan 0.000 0.452 811 N N -1.336 117.305 118.700 -0.098 0.000 2.417 811 N HA -0.190 4.529 4.740 -0.036 0.000 0.187 811 N C 1.455 176.929 175.510 -0.061 0.000 1.027 811 N CA 1.363 54.256 53.050 -0.261 0.000 0.891 811 N CB -0.286 37.948 38.487 -0.422 0.000 0.956 811 N HN 0.699 nan 8.380 nan 0.000 0.442 812 Y N -0.019 120.202 120.300 -0.132 0.000 2.373 812 Y HA -0.040 4.489 4.550 -0.035 0.000 0.293 812 Y C 1.656 177.485 175.900 -0.119 0.000 1.129 812 Y CA 0.277 58.325 58.100 -0.087 0.000 1.226 812 Y CB 0.466 38.914 38.460 -0.019 0.000 1.000 812 Y HN -0.085 nan 8.280 nan 0.000 0.549 813 V N 0.861 120.763 119.914 -0.019 0.000 3.478 813 V HA -0.059 4.039 4.120 -0.036 0.000 0.323 813 V C 0.680 176.695 176.094 -0.133 0.000 1.241 813 V CA 0.776 63.030 62.300 -0.077 0.000 1.274 813 V CB -1.152 30.610 31.823 -0.102 0.000 1.115 813 V HN 0.394 nan 8.190 nan 0.000 0.424 814 L N -1.375 119.752 121.223 -0.160 0.000 3.099 814 L HA 0.347 4.665 4.340 -0.036 0.000 0.165 814 L C 1.217 178.005 176.870 -0.136 0.000 1.151 814 L CA -0.518 54.223 54.840 -0.165 0.000 0.878 814 L CB -0.017 41.909 42.059 -0.222 0.000 1.615 814 L HN 0.049 nan 8.230 nan 0.000 0.545 815 R N 1.932 122.339 120.500 -0.155 0.000 2.936 815 R HA 0.181 4.500 4.340 -0.036 0.000 0.361 815 R C -1.070 175.146 176.300 -0.140 0.000 0.873 815 R CA 0.324 56.339 56.100 -0.141 0.000 1.041 815 R CB -0.172 30.026 30.300 -0.170 0.000 0.924 815 R HN 0.175 nan 8.270 nan 0.000 0.401 816 V N 0.000 119.849 119.914 -0.108 0.000 2.409 816 V HA 0.000 4.098 4.120 -0.036 0.000 0.244 816 V CA 0.000 62.239 62.300 -0.102 0.000 1.235 816 V CB 0.000 31.749 31.823 -0.124 0.000 1.184 816 V HN 0.000 nan 8.190 nan 0.000 0.556