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 2d54_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEKVFYVTTP IYYVNAEPHL GHAYTTVVAD FLARWHRLDG YRTFFLTGTD DATA SEQUENCE EHGETVYRAA QAAGEDPKAF VDRVSGRFKR AWDLLGIAYD DFIRTTEERH DATA SEQUENCE KKVVQLVLKK VYEAGDIYYG EYEGLYCVSC ERFYTEKELV EGLCPIHGRP DATA SEQUENCE VERRKEGNYF FRMEKYRPWL QEYIQENPDL IRPEGYRNEV LAMLAEPIGD DATA SEQUENCE LSISRPKSRV PWGIPLPWDE NHVTAVWFDA LLNYVSALDY PEGEAYRTFW DATA SEQUENCE PHAWHLIGKD ILKPHAVFWP TMLKAAGIPM YRHLNVGGFL LGPDGRKMSK DATA SEQUENCE TLGNVVDPFA LLEKYGRDAL RYYLLREIPY GQDTPVSEEA LRTRYEADLA DATA SEQUENCE DDLGNLVQRT RAMLFRFAEG RIPEPVAGEE LAEGTGLAGR LRPLVRELKF DATA SEQUENCE HVALEEAMAY VKALNRYINE KKPWELFKKE PEEARAVLYR VVEGLRIASI DATA SEQUENCE LLTPAMPDKM AELRRALGLK EEVRLEEAER WGLAEPRPIP EEAPVLFPKK 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 0.000 176.284 176.300 -0.027 0.000 1.140 1 M CA 0.000 55.280 55.300 -0.034 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 2 E N 0.970 121.134 120.200 -0.061 0.000 2.538 2 E HA 0.208 4.558 4.350 0.001 0.000 0.188 2 E C -0.262 176.255 176.600 -0.137 0.000 1.014 2 E CA -0.084 56.272 56.400 -0.073 0.000 1.140 2 E CB 1.064 30.712 29.700 -0.086 0.000 1.262 2 E HN 0.175 nan 8.360 nan 0.000 0.488 3 K N 1.663 121.917 120.400 -0.243 0.000 2.334 3 K HA 0.402 4.723 4.320 0.001 0.000 0.265 3 K C -1.373 175.095 176.600 -0.220 0.000 1.039 3 K CA -0.365 55.648 56.287 -0.457 0.000 0.920 3 K CB 2.268 34.184 32.500 -0.972 0.000 1.160 3 K HN -0.038 nan 8.250 nan 0.000 0.451 4 V N 4.060 123.900 119.914 -0.123 0.000 2.709 4 V HA 0.468 4.589 4.120 0.001 0.000 0.308 4 V C -1.175 175.007 176.094 0.147 0.000 1.062 4 V CA -0.984 61.278 62.300 -0.062 0.000 0.901 4 V CB 1.604 33.128 31.823 -0.498 0.000 1.003 4 V HN 0.590 nan 8.190 nan 0.000 0.425 5 F N 5.192 125.234 119.950 0.154 0.000 2.547 5 F HA 0.724 5.251 4.527 0.001 0.000 0.316 5 F C -1.570 174.319 175.800 0.149 0.000 1.121 5 F CA -0.820 57.124 58.000 -0.093 0.000 0.911 5 F CB 1.714 40.428 39.000 -0.477 0.000 1.179 5 F HN 0.519 nan 8.300 nan 0.000 0.443 6 Y N 6.707 126.579 120.300 -0.713 0.000 2.346 6 Y HA 0.705 5.256 4.550 0.001 0.000 0.332 6 Y C -2.060 173.385 175.900 -0.758 0.000 0.985 6 Y CA -1.572 56.286 58.100 -0.402 0.000 1.112 6 Y CB 1.378 39.871 38.460 0.056 0.000 1.170 6 Y HN 0.552 nan 8.280 nan 0.000 0.447 7 V N 6.454 126.009 119.914 -0.599 0.000 2.789 7 V HA 0.829 4.950 4.120 0.001 0.000 0.311 7 V C -1.003 174.925 176.094 -0.277 0.000 1.073 7 V CA 0.064 62.019 62.300 -0.576 0.000 0.921 7 V CB 2.303 33.840 31.823 -0.476 0.000 1.009 7 V HN 0.994 nan 8.190 nan 0.000 0.426 8 T N 1.725 116.128 114.554 -0.252 0.000 2.916 8 T HA 0.826 5.177 4.350 0.001 0.000 0.292 8 T C -0.259 174.450 174.700 0.016 0.000 1.055 8 T CA -0.078 62.001 62.100 -0.036 0.000 1.009 8 T CB 1.862 70.686 68.868 -0.075 0.000 1.118 8 T HN 1.068 nan 8.240 nan 0.000 0.497 9 T N -0.875 113.721 114.554 0.071 0.000 2.940 9 T HA 0.782 5.132 4.350 0.001 0.000 0.288 9 T C -3.016 171.640 174.700 -0.073 0.000 1.045 9 T CA -2.250 59.852 62.100 0.002 0.000 1.018 9 T CB 1.052 69.921 68.868 0.002 0.000 1.151 9 T HN 0.472 nan 8.240 nan 0.000 0.529 10 P HA 0.353 nan 4.420 nan 0.000 0.274 10 P C -0.325 176.559 177.300 -0.692 0.000 1.237 10 P CA -0.793 62.157 63.100 -0.250 0.000 0.793 10 P CB 0.200 31.805 31.700 -0.158 0.000 0.977 11 I N -0.751 119.496 120.570 -0.538 0.000 2.371 11 I HA 0.372 4.543 4.170 0.001 0.000 0.290 11 I C -0.653 175.122 176.117 -0.569 0.000 1.028 11 I CA -0.737 60.176 61.300 -0.644 0.000 1.345 11 I CB 0.128 37.818 38.000 -0.516 0.000 1.407 11 I HN 0.183 nan 8.210 nan 0.000 0.501 12 Y N 4.603 124.679 120.300 -0.374 0.000 2.301 12 Y HA 0.223 4.774 4.550 0.001 0.000 0.325 12 Y C 0.127 175.871 175.900 -0.261 0.000 1.203 12 Y CA -0.722 57.167 58.100 -0.352 0.000 1.255 12 Y CB 0.296 38.284 38.460 -0.787 0.000 1.232 12 Y HN 0.525 nan 8.280 nan 0.000 0.501 13 Y N 2.211 122.564 120.300 0.089 0.000 2.815 13 Y HA -0.049 4.502 4.550 0.001 0.000 0.346 13 Y C 1.386 177.377 175.900 0.151 0.000 1.267 13 Y CA 0.199 58.376 58.100 0.128 0.000 1.604 13 Y CB 0.400 38.989 38.460 0.215 0.000 1.218 13 Y HN 0.640 nan 8.280 nan 0.000 0.527 14 V N 6.041 125.827 119.914 -0.213 0.000 2.546 14 V HA -0.331 3.790 4.120 0.001 0.000 0.254 14 V C 1.705 177.802 176.094 0.006 0.000 1.076 14 V CA 2.705 64.964 62.300 -0.068 0.000 1.087 14 V CB -0.523 31.226 31.823 -0.124 0.000 0.674 14 V HN 0.962 nan 8.190 nan 0.000 0.470 15 N N -0.867 117.716 118.700 -0.195 0.000 2.336 15 N HA 0.159 4.900 4.740 0.001 0.000 0.189 15 N C 0.599 176.315 175.510 0.342 0.000 1.113 15 N CA 0.404 53.497 53.050 0.071 0.000 0.858 15 N CB 0.099 38.685 38.487 0.166 0.000 0.970 15 N HN 0.526 nan 8.380 nan 0.000 0.471 16 A N 1.644 124.805 122.820 0.568 0.000 2.388 16 A HA 0.132 4.452 4.320 0.001 0.000 0.257 16 A C -0.002 177.700 177.584 0.196 0.000 1.095 16 A CA -0.473 51.859 52.037 0.491 0.000 0.791 16 A CB 0.218 19.597 19.000 0.632 0.000 1.029 16 A HN 0.513 nan 8.150 nan 0.000 0.489 17 E N 2.681 122.954 120.200 0.121 0.000 2.290 17 E HA 0.356 4.706 4.350 0.001 0.000 0.277 17 E C -2.570 173.997 176.600 -0.055 0.000 1.035 17 E CA -1.679 54.689 56.400 -0.054 0.000 0.873 17 E CB -0.032 29.677 29.700 0.016 0.000 1.029 17 E HN 0.316 nan 8.360 nan 0.000 0.419 18 P HA -0.064 nan 4.420 nan 0.000 0.262 18 P C -0.841 176.637 177.300 0.296 0.000 1.182 18 P CA 0.686 63.684 63.100 -0.170 0.000 0.761 18 P CB 0.263 31.709 31.700 -0.422 0.000 0.795 19 H N 0.914 120.271 119.070 0.479 0.000 2.960 19 H HA 0.321 4.878 4.556 0.001 0.000 0.303 19 H C 0.507 175.903 175.328 0.113 0.000 1.412 19 H CA -0.881 55.294 56.048 0.213 0.000 1.227 19 H CB 0.266 30.075 29.762 0.079 0.000 1.912 19 H HN 0.130 nan 8.280 nan 0.000 0.583 20 L N 1.257 122.653 121.223 0.289 0.000 2.043 20 L HA -0.072 4.269 4.340 0.001 0.000 0.212 20 L C 2.458 179.482 176.870 0.255 0.000 1.075 20 L CA 2.556 57.499 54.840 0.172 0.000 0.752 20 L CB -1.193 40.906 42.059 0.066 0.000 0.891 20 L HN 0.954 nan 8.230 nan 0.000 0.432 21 G N -1.706 107.304 108.800 0.350 0.000 2.446 21 G HA2 -0.300 3.660 3.960 0.001 0.000 0.217 21 G HA3 -0.300 3.660 3.960 0.001 0.000 0.217 21 G C 1.474 176.518 174.900 0.240 0.000 1.168 21 G CA 1.006 46.267 45.100 0.269 0.000 0.771 21 G HN 0.559 nan 8.290 nan 0.000 0.551 22 H N 0.992 120.162 119.070 0.167 0.000 2.293 22 H HA -0.025 4.531 4.556 0.001 0.000 0.300 22 H C 3.013 178.494 175.328 0.254 0.000 1.082 22 H CA 1.353 57.363 56.048 -0.063 0.000 1.308 22 H CB -0.886 28.744 29.762 -0.219 0.000 1.375 22 H HN 0.378 nan 8.280 nan 0.000 0.495 23 A N 1.087 124.185 122.820 0.463 0.000 1.892 23 A HA -0.274 4.046 4.320 0.001 0.000 0.218 23 A C 2.388 180.119 177.584 0.245 0.000 1.188 23 A CA 1.937 54.205 52.037 0.385 0.000 0.631 23 A CB -1.218 17.913 19.000 0.218 0.000 0.822 23 A HN 0.476 nan 8.150 nan 0.000 0.447 24 Y N 1.257 121.637 120.300 0.132 0.000 2.097 24 Y HA -0.213 4.338 4.550 0.001 0.000 0.282 24 Y C 2.740 178.702 175.900 0.103 0.000 1.152 24 Y CA 2.446 60.599 58.100 0.088 0.000 1.136 24 Y CB -0.922 37.581 38.460 0.072 0.000 0.975 24 Y HN 0.324 nan 8.280 nan 0.000 0.498 25 T N -0.572 114.052 114.554 0.115 0.000 2.720 25 T HA -0.198 4.152 4.350 0.001 0.000 0.268 25 T C 1.747 176.427 174.700 -0.033 0.000 1.037 25 T CA 2.146 64.282 62.100 0.059 0.000 1.144 25 T CB -0.687 68.350 68.868 0.282 0.000 0.864 25 T HN 0.433 nan 8.240 nan 0.000 0.444 26 T N 1.696 116.243 114.554 -0.011 0.000 2.777 26 T HA -0.041 4.309 4.350 0.001 0.000 0.266 26 T C 2.197 176.825 174.700 -0.120 0.000 1.040 26 T CA 0.753 62.770 62.100 -0.138 0.000 1.141 26 T CB -0.488 67.999 68.868 -0.634 0.000 0.868 26 T HN 0.154 nan 8.240 nan 0.000 0.444 27 V N 1.299 121.140 119.914 -0.121 0.000 2.407 27 V HA -0.136 3.985 4.120 0.001 0.000 0.248 27 V C 2.643 178.604 176.094 -0.222 0.000 1.055 27 V CA 1.227 63.468 62.300 -0.098 0.000 1.049 27 V CB -0.609 31.187 31.823 -0.044 0.000 0.662 27 V HN 0.315 nan 8.190 nan 0.000 0.455 28 V N 0.266 119.939 119.914 -0.402 0.000 2.307 28 V HA -0.233 3.887 4.120 0.001 0.000 0.245 28 V C 2.700 178.515 176.094 -0.465 0.000 1.045 28 V CA 1.958 63.908 62.300 -0.584 0.000 1.024 28 V CB -1.091 30.303 31.823 -0.714 0.000 0.651 28 V HN 0.559 nan 8.190 nan 0.000 0.449 29 A N -0.036 122.553 122.820 -0.384 0.000 1.933 29 A HA -0.307 4.014 4.320 0.001 0.000 0.218 29 A C 2.025 179.122 177.584 -0.812 0.000 1.175 29 A CA 2.251 53.978 52.037 -0.518 0.000 0.628 29 A CB -0.670 18.064 19.000 -0.444 0.000 0.814 29 A HN 0.604 nan 8.150 nan 0.000 0.444 30 D N -1.575 118.492 120.400 -0.555 0.000 2.117 30 D HA -0.143 4.497 4.640 0.001 0.000 0.198 30 D C 1.617 177.797 176.300 -0.200 0.000 0.982 30 D CA 1.298 55.098 54.000 -0.332 0.000 0.828 30 D CB -0.244 40.590 40.800 0.057 0.000 0.967 30 D HN 0.375 nan 8.370 nan 0.000 0.464 31 F N 0.737 120.518 119.950 -0.282 0.000 2.069 31 F HA -0.129 4.398 4.527 0.001 0.000 0.298 31 F C 1.969 177.669 175.800 -0.167 0.000 1.113 31 F CA 1.341 59.213 58.000 -0.213 0.000 1.214 31 F CB -0.368 38.419 39.000 -0.355 0.000 0.978 31 F HN -0.015 nan 8.300 nan 0.000 0.474 32 L N -0.072 121.064 121.223 -0.145 0.000 2.012 32 L HA -0.276 4.065 4.340 0.001 0.000 0.210 32 L C 2.811 179.551 176.870 -0.216 0.000 1.073 32 L CA 1.432 56.202 54.840 -0.117 0.000 0.748 32 L CB -1.178 40.892 42.059 0.019 0.000 0.891 32 L HN 0.300 nan 8.230 nan 0.000 0.431 33 A N -0.208 122.490 122.820 -0.204 0.000 1.877 33 A HA -0.219 4.101 4.320 0.001 0.000 0.216 33 A C 2.363 179.883 177.584 -0.107 0.000 1.186 33 A CA 1.615 53.592 52.037 -0.100 0.000 0.620 33 A CB -0.524 18.363 19.000 -0.188 0.000 0.822 33 A HN 0.303 nan 8.150 nan 0.000 0.443 34 R N -1.609 118.800 120.500 -0.151 0.000 2.081 34 R HA -0.174 4.166 4.340 0.001 0.000 0.235 34 R C 2.185 178.348 176.300 -0.228 0.000 1.131 34 R CA 1.525 57.536 56.100 -0.149 0.000 0.960 34 R CB -0.364 29.852 30.300 -0.141 0.000 0.856 34 R HN 0.869 nan 8.270 nan 0.000 0.436 35 W N 1.333 122.310 121.300 -0.539 0.000 2.354 35 W HA -0.215 4.445 4.660 0.001 0.000 0.315 35 W C 1.458 177.647 176.519 -0.549 0.000 1.206 35 W CA 1.777 58.756 57.345 -0.610 0.000 1.290 35 W CB -0.468 28.504 29.460 -0.813 0.000 1.152 35 W HN 0.225 nan 8.180 nan 0.000 0.489 36 H N -0.216 118.591 119.070 -0.439 0.000 2.421 36 H HA -0.051 4.505 4.556 0.001 0.000 0.298 36 H C 2.380 177.560 175.328 -0.247 0.000 1.087 36 H CA 2.265 57.968 56.048 -0.575 0.000 1.330 36 H CB -0.285 28.812 29.762 -1.109 0.000 1.388 36 H HN 0.053 nan 8.280 nan 0.000 0.526 37 R N -0.346 120.101 120.500 -0.088 0.000 2.081 37 R HA -0.104 4.236 4.340 0.001 0.000 0.235 37 R C 1.865 178.102 176.300 -0.107 0.000 1.131 37 R CA 0.993 57.079 56.100 -0.024 0.000 0.960 37 R CB -0.307 29.984 30.300 -0.016 0.000 0.856 37 R HN 0.172 nan 8.270 nan 0.000 0.436 38 L N 0.939 122.016 121.223 -0.243 0.000 2.131 38 L HA -0.157 4.184 4.340 0.001 0.000 0.210 38 L C 1.288 177.957 176.870 -0.334 0.000 1.092 38 L CA 1.713 56.367 54.840 -0.309 0.000 0.759 38 L CB -0.287 41.501 42.059 -0.453 0.000 0.903 38 L HN 0.043 nan 8.230 nan 0.000 0.435 39 D N -0.897 119.272 120.400 -0.385 0.000 2.325 39 D HA 0.159 4.800 4.640 0.001 0.000 0.234 39 D C 1.455 177.750 176.300 -0.009 0.000 1.122 39 D CA 0.694 54.541 54.000 -0.255 0.000 0.850 39 D CB -0.206 40.394 40.800 -0.332 0.000 0.921 39 D HN 0.345 nan 8.370 nan 0.000 0.513 40 G N -0.201 108.592 108.800 -0.011 0.000 2.159 40 G HA2 -0.314 3.647 3.960 0.001 0.000 0.256 40 G HA3 -0.314 3.647 3.960 0.001 0.000 0.256 40 G C -0.016 174.910 174.900 0.043 0.000 0.977 40 G CA 0.079 45.177 45.100 -0.002 0.000 0.652 40 G HN 0.322 nan 8.290 nan 0.000 0.531 41 Y N 0.261 120.550 120.300 -0.019 0.000 2.304 41 Y HA 0.484 5.034 4.550 0.001 0.000 0.327 41 Y C 1.228 177.183 175.900 0.091 0.000 1.209 41 Y CA -0.669 57.460 58.100 0.048 0.000 1.299 41 Y CB 0.644 39.172 38.460 0.113 0.000 1.249 41 Y HN 0.207 nan 8.280 nan 0.000 0.519 42 R N 2.083 122.732 120.500 0.249 0.000 2.296 42 R HA 0.257 4.598 4.340 0.001 0.000 0.323 42 R C -1.070 175.512 176.300 0.471 0.000 1.067 42 R CA 0.116 56.380 56.100 0.273 0.000 0.946 42 R CB -0.011 30.384 30.300 0.159 0.000 0.991 42 R HN 0.719 nan 8.270 nan 0.000 0.448 43 T N 4.725 119.543 114.554 0.439 0.000 2.856 43 T HA 0.416 4.767 4.350 0.001 0.000 0.283 43 T C -1.362 173.490 174.700 0.254 0.000 1.008 43 T CA -0.358 61.992 62.100 0.417 0.000 0.997 43 T CB 1.075 70.128 68.868 0.308 0.000 0.992 43 T HN 0.437 nan 8.240 nan 0.000 0.454 44 F N 3.575 123.445 119.950 -0.134 0.000 2.562 44 F HA 0.635 5.162 4.527 0.001 0.000 0.319 44 F C -1.765 174.103 175.800 0.113 0.000 1.154 44 F CA -1.559 56.228 58.000 -0.355 0.000 0.931 44 F CB 1.192 39.362 39.000 -1.384 0.000 1.198 44 F HN 0.488 nan 8.300 nan 0.000 0.444 45 F N 8.529 128.221 119.950 -0.429 0.000 2.403 45 F HA 0.644 5.171 4.527 0.001 0.000 0.355 45 F C -2.037 173.585 175.800 -0.297 0.000 1.119 45 F CA -1.732 56.145 58.000 -0.206 0.000 1.007 45 F CB 1.112 40.053 39.000 -0.098 0.000 1.194 45 F HN 0.366 nan 8.300 nan 0.000 0.443 46 L N 5.544 126.851 121.223 0.141 0.000 2.325 46 L HA 0.811 5.151 4.340 0.001 0.000 0.278 46 L C -0.498 176.275 176.870 -0.162 0.000 1.023 46 L CA 0.209 55.025 54.840 -0.040 0.000 0.811 46 L CB 1.994 44.266 42.059 0.354 0.000 1.249 46 L HN 0.756 nan 8.230 nan 0.000 0.431 47 T N 2.213 116.531 114.554 -0.393 0.000 2.762 47 T HA 0.911 5.262 4.350 0.001 0.000 0.301 47 T C -0.719 173.530 174.700 -0.751 0.000 1.299 47 T CA -0.020 61.779 62.100 -0.501 0.000 1.005 47 T CB 1.400 69.904 68.868 -0.606 0.000 1.377 47 T HN 1.128 nan 8.240 nan 0.000 0.504 48 G N 0.479 108.714 108.800 -0.942 0.000 2.323 48 G HA2 0.509 4.470 3.960 0.001 0.000 0.291 48 G HA3 0.509 4.470 3.960 0.001 0.000 0.291 48 G C -1.103 173.234 174.900 -0.938 0.000 1.278 48 G CA 0.141 44.457 45.100 -1.308 0.000 0.860 48 G HN 1.237 nan 8.290 nan 0.000 0.504 49 T N -1.563 112.597 114.554 -0.658 0.000 2.886 49 T HA 0.590 4.940 4.350 0.001 0.000 0.292 49 T C -1.661 172.836 174.700 -0.339 0.000 1.012 49 T CA -0.604 61.244 62.100 -0.420 0.000 0.982 49 T CB 2.410 71.169 68.868 -0.182 0.000 1.018 49 T HN 0.536 nan 8.240 nan 0.000 0.451 50 D N 1.526 121.759 120.400 -0.277 0.000 2.365 50 D HA 0.198 4.838 4.640 0.001 0.000 0.237 50 D C 0.554 176.749 176.300 -0.174 0.000 1.190 50 D CA -0.445 53.425 54.000 -0.216 0.000 0.867 50 D CB 0.828 41.572 40.800 -0.093 0.000 1.050 50 D HN 0.715 nan 8.370 nan 0.000 0.491 51 E N 2.657 122.726 120.200 -0.219 0.000 2.538 51 E HA 0.060 4.410 4.350 0.001 0.000 0.207 51 E C 0.231 176.920 176.600 0.148 0.000 1.002 51 E CA -0.455 55.898 56.400 -0.078 0.000 0.952 51 E CB 0.633 30.293 29.700 -0.067 0.000 1.031 51 E HN 0.480 nan 8.360 nan 0.000 0.476 52 H N 0.684 119.806 119.070 0.088 0.000 2.530 52 H HA 0.614 5.170 4.556 0.001 0.000 0.342 52 H C 0.914 176.406 175.328 0.274 0.000 1.312 52 H CA 0.352 56.427 56.048 0.045 0.000 1.376 52 H CB 1.137 30.782 29.762 -0.195 0.000 1.692 52 H HN 0.168 nan 8.280 nan 0.000 0.622 53 G N 0.247 109.311 108.800 0.440 0.000 2.587 53 G HA2 -0.159 3.802 3.960 0.001 0.000 0.686 53 G HA3 -0.159 3.802 3.960 0.001 0.000 0.686 53 G C 0.779 175.914 174.900 0.391 0.000 1.236 53 G CA 0.125 45.431 45.100 0.343 0.000 0.820 53 G HN 0.629 nan 8.290 nan 0.000 0.645 54 E N -0.246 120.105 120.200 0.252 0.000 2.208 54 E HA -0.147 4.204 4.350 0.001 0.000 0.193 54 E C 2.187 178.934 176.600 0.244 0.000 0.988 54 E CA 2.277 58.811 56.400 0.224 0.000 0.828 54 E CB -0.797 28.978 29.700 0.126 0.000 0.763 54 E HN 1.144 nan 8.360 nan 0.000 0.478 55 T N -0.184 114.522 114.554 0.254 0.000 2.708 55 T HA -0.119 4.231 4.350 0.001 0.000 0.266 55 T C 2.213 177.063 174.700 0.250 0.000 1.037 55 T CA 1.756 64.012 62.100 0.259 0.000 1.146 55 T CB -0.837 68.238 68.868 0.346 0.000 0.865 55 T HN 0.030 nan 8.240 nan 0.000 0.435 56 V N 0.408 120.489 119.914 0.278 0.000 2.358 56 V HA -0.081 4.040 4.120 0.001 0.000 0.246 56 V C 2.321 178.408 176.094 -0.012 0.000 1.047 56 V CA 1.719 64.129 62.300 0.183 0.000 1.035 56 V CB -1.107 30.841 31.823 0.208 0.000 0.658 56 V HN 0.511 nan 8.190 nan 0.000 0.452 57 Y N 1.334 121.543 120.300 -0.153 0.000 2.128 57 Y HA -0.244 4.307 4.550 0.001 0.000 0.284 57 Y C 2.817 178.556 175.900 -0.268 0.000 1.154 57 Y CA 1.799 59.697 58.100 -0.336 0.000 1.149 57 Y CB -0.211 38.145 38.460 -0.172 0.000 0.976 57 Y HN 0.032 nan 8.280 nan 0.000 0.505 58 R N 0.232 120.712 120.500 -0.034 0.000 2.083 58 R HA -0.204 4.137 4.340 0.001 0.000 0.237 58 R C 2.481 178.627 176.300 -0.257 0.000 1.137 58 R CA 1.335 57.373 56.100 -0.103 0.000 0.951 58 R CB -1.451 28.863 30.300 0.023 0.000 0.851 58 R HN 0.499 nan 8.270 nan 0.000 0.434 59 A N 1.194 123.863 122.820 -0.251 0.000 1.917 59 A HA -0.156 4.165 4.320 0.001 0.000 0.219 59 A C 2.433 179.496 177.584 -0.868 0.000 1.182 59 A CA 2.141 53.950 52.037 -0.380 0.000 0.633 59 A CB -0.647 18.249 19.000 -0.174 0.000 0.819 59 A HN 0.400 nan 8.150 nan 0.000 0.448 60 A N -0.670 121.437 122.820 -1.189 0.000 1.877 60 A HA -0.226 4.095 4.320 0.001 0.000 0.216 60 A C 2.138 179.286 177.584 -0.727 0.000 1.186 60 A CA 1.696 52.942 52.037 -1.318 0.000 0.620 60 A CB -0.657 17.760 19.000 -0.972 0.000 0.822 60 A HN 0.672 nan 8.150 nan 0.000 0.443 61 Q N -0.503 118.921 119.800 -0.627 0.000 2.084 61 Q HA -0.106 4.234 4.340 0.001 0.000 0.202 61 Q C 2.450 178.271 176.000 -0.299 0.000 0.978 61 Q CA 1.302 56.846 55.803 -0.432 0.000 0.844 61 Q CB -0.460 28.041 28.738 -0.395 0.000 0.898 61 Q HN 0.672 nan 8.270 nan 0.000 0.426 62 A N 1.689 124.336 122.820 -0.288 0.000 1.859 62 A HA -0.185 4.136 4.320 0.001 0.000 0.217 62 A C 2.339 179.817 177.584 -0.177 0.000 1.198 62 A CA 1.863 53.785 52.037 -0.190 0.000 0.629 62 A CB -1.024 17.878 19.000 -0.163 0.000 0.830 62 A HN 0.415 nan 8.150 nan 0.000 0.446 63 A N -1.635 121.045 122.820 -0.234 0.000 2.225 63 A HA 0.342 4.662 4.320 0.001 0.000 0.215 63 A C 1.834 179.340 177.584 -0.131 0.000 1.164 63 A CA 1.430 53.377 52.037 -0.150 0.000 0.710 63 A CB -1.310 17.614 19.000 -0.127 0.000 0.780 63 A HN 2.181 nan 8.150 nan 0.000 0.473 64 G N -0.584 108.110 108.800 -0.178 0.000 2.256 64 G HA2 -0.200 3.760 3.960 0.001 0.000 0.272 64 G HA3 -0.200 3.760 3.960 0.001 0.000 0.272 64 G C -0.361 174.461 174.900 -0.129 0.000 1.076 64 G CA 0.433 45.448 45.100 -0.141 0.000 0.882 64 G HN 0.688 nan 8.290 nan 0.000 0.497 65 E N -0.209 119.883 120.200 -0.180 0.000 2.343 65 E HA 0.332 4.683 4.350 0.001 0.000 0.270 65 E C -0.728 175.768 176.600 -0.172 0.000 0.895 65 E CA -1.087 55.243 56.400 -0.118 0.000 0.767 65 E CB 1.645 31.339 29.700 -0.009 0.000 1.248 65 E HN 0.192 nan 8.360 nan 0.000 0.440 66 D N 3.318 123.656 120.400 -0.103 0.000 2.458 66 D HA -0.019 4.622 4.640 0.001 0.000 0.243 66 D C -1.318 174.897 176.300 -0.141 0.000 1.146 66 D CA -1.389 52.541 54.000 -0.116 0.000 0.877 66 D CB 1.084 41.861 40.800 -0.039 0.000 1.176 66 D HN 0.137 nan 8.370 nan 0.000 0.461 67 P HA -0.242 nan 4.420 nan 0.000 0.216 67 P C 1.203 178.366 177.300 -0.227 0.000 1.157 67 P CA 1.474 64.279 63.100 -0.490 0.000 0.880 67 P CB 0.296 31.389 31.700 -1.012 0.000 0.791 68 K N 0.594 120.974 120.400 -0.033 0.000 2.026 68 K HA -0.047 4.274 4.320 0.001 0.000 0.208 68 K C 2.237 178.913 176.600 0.127 0.000 1.048 68 K CA 1.819 58.243 56.287 0.228 0.000 0.929 68 K CB -1.393 31.281 32.500 0.290 0.000 0.713 68 K HN 0.010 nan 8.250 nan 0.000 0.439 69 A N -0.219 122.646 122.820 0.076 0.000 1.972 69 A HA -0.114 4.206 4.320 0.001 0.000 0.219 69 A C 2.164 179.778 177.584 0.050 0.000 1.169 69 A CA 1.464 53.531 52.037 0.050 0.000 0.635 69 A CB -0.837 18.184 19.000 0.035 0.000 0.810 69 A HN 0.463 nan 8.150 nan 0.000 0.446 70 F N 1.267 121.167 119.950 -0.083 0.000 2.084 70 F HA -0.175 4.353 4.527 0.001 0.000 0.296 70 F C 2.315 178.080 175.800 -0.059 0.000 1.111 70 F CA 2.191 60.132 58.000 -0.097 0.000 1.224 70 F CB -0.422 38.478 39.000 -0.167 0.000 0.991 70 F HN 0.113 nan 8.300 nan 0.000 0.471 71 V N -1.994 117.861 119.914 -0.099 0.000 2.515 71 V HA -0.177 3.944 4.120 0.001 0.000 0.250 71 V C 1.943 177.964 176.094 -0.122 0.000 1.058 71 V CA 1.984 64.200 62.300 -0.140 0.000 1.064 71 V CB -1.009 30.886 31.823 0.119 0.000 0.675 71 V HN 0.200 nan 8.190 nan 0.000 0.461 72 D N 0.619 120.984 120.400 -0.059 0.000 2.117 72 D HA -0.153 4.488 4.640 0.001 0.000 0.197 72 D C 2.270 178.499 176.300 -0.118 0.000 0.987 72 D CA 1.863 55.830 54.000 -0.055 0.000 0.829 72 D CB -0.187 40.602 40.800 -0.018 0.000 0.961 72 D HN 0.508 nan 8.370 nan 0.000 0.460 73 R N 0.671 121.070 120.500 -0.167 0.000 2.057 73 R HA -0.092 4.248 4.340 0.001 0.000 0.229 73 R C 2.355 178.505 176.300 -0.250 0.000 1.136 73 R CA 1.387 57.372 56.100 -0.192 0.000 0.952 73 R CB -0.137 30.054 30.300 -0.182 0.000 0.848 73 R HN 0.171 nan 8.270 nan 0.000 0.430 74 V N -0.375 119.306 119.914 -0.387 0.000 2.759 74 V HA -0.129 3.991 4.120 0.001 0.000 0.256 74 V C 2.039 178.019 176.094 -0.190 0.000 1.080 74 V CA 1.841 63.928 62.300 -0.355 0.000 1.101 74 V CB -0.531 30.959 31.823 -0.554 0.000 0.698 74 V HN 0.432 nan 8.190 nan 0.000 0.477 75 S N 1.343 116.964 115.700 -0.131 0.000 2.447 75 S HA 0.018 4.488 4.470 0.001 0.000 0.233 75 S C 2.022 176.585 174.600 -0.061 0.000 1.006 75 S CA 1.097 59.307 58.200 0.018 0.000 0.957 75 S CB -0.986 62.234 63.200 0.033 0.000 0.773 75 S HN 0.792 nan 8.310 nan 0.000 0.507 76 G N 1.755 110.457 108.800 -0.163 0.000 2.470 76 G HA2 -0.135 3.825 3.960 0.001 0.000 0.220 76 G HA3 -0.135 3.825 3.960 0.001 0.000 0.220 76 G C 1.632 176.385 174.900 -0.246 0.000 1.121 76 G CA 0.346 45.320 45.100 -0.210 0.000 0.766 76 G HN 0.539 nan 8.290 nan 0.000 0.553 77 R N -0.792 119.541 120.500 -0.279 0.000 2.075 77 R HA 0.046 4.386 4.340 0.001 0.000 0.232 77 R C 2.198 178.152 176.300 -0.576 0.000 1.126 77 R CA 1.089 56.931 56.100 -0.431 0.000 0.963 77 R CB -0.388 29.610 30.300 -0.503 0.000 0.858 77 R HN 0.431 nan 8.270 nan 0.000 0.435 78 F N 1.035 120.749 119.950 -0.393 0.000 2.206 78 F HA -0.071 4.456 4.527 0.001 0.000 0.298 78 F C 2.246 177.593 175.800 -0.756 0.000 1.090 78 F CA 1.169 58.782 58.000 -0.645 0.000 1.323 78 F CB 0.019 38.858 39.000 -0.268 0.000 1.028 78 F HN -0.128 nan 8.300 nan 0.000 0.492 79 K N 0.050 120.272 120.400 -0.296 0.000 2.097 79 K HA -0.129 4.192 4.320 0.001 0.000 0.206 79 K C 2.113 178.642 176.600 -0.117 0.000 1.049 79 K CA 1.158 57.288 56.287 -0.261 0.000 0.933 79 K CB -0.188 32.056 32.500 -0.428 0.000 0.717 79 K HN 0.235 nan 8.250 nan 0.000 0.442 80 R N 0.316 120.696 120.500 -0.199 0.000 2.090 80 R HA -0.029 4.311 4.340 0.001 0.000 0.228 80 R C 2.385 178.628 176.300 -0.096 0.000 1.110 80 R CA 1.009 57.026 56.100 -0.138 0.000 0.973 80 R CB -0.263 29.916 30.300 -0.202 0.000 0.869 80 R HN 0.159 nan 8.270 nan 0.000 0.440 81 A N 0.680 123.351 122.820 -0.248 0.000 1.877 81 A HA -0.166 4.154 4.320 0.001 0.000 0.216 81 A C 1.849 179.665 177.584 0.387 0.000 1.186 81 A CA 1.041 53.044 52.037 -0.058 0.000 0.620 81 A CB -0.922 17.831 19.000 -0.411 0.000 0.822 81 A HN 0.492 nan 8.150 nan 0.000 0.443 82 W N -0.253 121.231 121.300 0.306 0.000 2.402 82 W HA -0.108 4.553 4.660 0.001 0.000 0.286 82 W C 1.695 178.371 176.519 0.261 0.000 1.221 82 W CA 0.288 57.837 57.345 0.339 0.000 1.257 82 W CB -0.196 29.540 29.460 0.460 0.000 1.120 82 W HN 0.331 nan 8.180 nan 0.000 0.551 83 D N 0.280 120.922 120.400 0.403 0.000 2.097 83 D HA -0.155 4.485 4.640 0.001 0.000 0.197 83 D C 2.119 178.551 176.300 0.220 0.000 0.984 83 D CA 1.064 55.206 54.000 0.236 0.000 0.826 83 D CB -0.521 40.356 40.800 0.128 0.000 0.973 83 D HN -0.106 nan 8.370 nan 0.000 0.460 84 L N 0.382 121.747 121.223 0.236 0.000 2.042 84 L HA -0.099 4.242 4.340 0.001 0.000 0.210 84 L C 1.824 178.860 176.870 0.277 0.000 1.076 84 L CA 1.293 56.277 54.840 0.240 0.000 0.749 84 L CB -0.599 41.635 42.059 0.291 0.000 0.893 84 L HN 0.181 nan 8.230 nan 0.000 0.432 85 L N -0.551 120.889 121.223 0.362 0.000 2.599 85 L HA 0.172 4.512 4.340 0.001 0.000 0.230 85 L C 1.295 178.321 176.870 0.260 0.000 1.141 85 L CA 1.043 56.076 54.840 0.322 0.000 0.877 85 L CB -1.667 40.632 42.059 0.400 0.000 1.009 85 L HN 0.544 nan 8.230 nan 0.000 0.447 86 G N 1.392 110.336 108.800 0.240 0.000 2.246 86 G HA2 -0.296 3.664 3.960 0.001 0.000 0.273 86 G HA3 -0.296 3.664 3.960 0.001 0.000 0.273 86 G C 0.242 175.248 174.900 0.178 0.000 1.055 86 G CA -0.033 45.174 45.100 0.178 0.000 0.851 86 G HN 0.370 nan 8.290 nan 0.000 0.500 87 I N 0.740 121.451 120.570 0.235 0.000 2.379 87 I HA 0.439 4.610 4.170 0.001 0.000 0.290 87 I C 1.037 177.221 176.117 0.112 0.000 1.063 87 I CA 0.125 61.569 61.300 0.240 0.000 1.351 87 I CB 1.478 39.652 38.000 0.290 0.000 1.410 87 I HN 0.303 nan 8.210 nan 0.000 0.505 88 A N 7.984 130.875 122.820 0.117 0.000 3.016 88 A HA 0.390 4.711 4.320 0.001 0.000 0.303 88 A C -0.351 177.223 177.584 -0.016 0.000 1.507 88 A CA -0.508 51.506 52.037 -0.038 0.000 1.196 88 A CB -0.694 18.319 19.000 0.021 0.000 1.169 88 A HN 0.626 nan 8.150 nan 0.000 0.544 89 Y N -1.066 119.134 120.300 -0.166 0.000 2.316 89 Y HA 0.480 5.030 4.550 0.001 0.000 0.324 89 Y C 0.466 176.178 175.900 -0.312 0.000 1.267 89 Y CA -1.380 56.378 58.100 -0.569 0.000 1.311 89 Y CB 0.676 38.593 38.460 -0.906 0.000 1.267 89 Y HN 0.393 nan 8.280 nan 0.000 0.516 90 D N -0.136 120.127 120.400 -0.228 0.000 2.271 90 D HA -0.019 4.622 4.640 0.001 0.000 0.206 90 D C -0.456 175.770 176.300 -0.123 0.000 0.967 90 D CA 1.298 55.133 54.000 -0.276 0.000 0.867 90 D CB 0.391 40.792 40.800 -0.666 0.000 0.960 90 D HN 0.621 nan 8.370 nan 0.000 0.509 91 D N -1.081 119.256 120.400 -0.106 0.000 2.753 91 D HA 0.217 4.858 4.640 0.001 0.000 0.224 91 D C -1.828 174.469 176.300 -0.006 0.000 1.213 91 D CA -0.676 53.373 54.000 0.081 0.000 0.833 91 D CB 1.767 42.663 40.800 0.160 0.000 1.607 91 D HN -0.197 nan 8.370 nan 0.000 0.463 92 F N 4.664 124.538 119.950 -0.126 0.000 2.430 92 F HA 0.432 4.960 4.527 0.001 0.000 0.362 92 F C -0.919 174.796 175.800 -0.141 0.000 1.103 92 F CA -0.854 56.964 58.000 -0.304 0.000 1.045 92 F CB 0.586 39.372 39.000 -0.356 0.000 1.276 92 F HN 0.221 nan 8.300 nan 0.000 0.444 93 I N 6.925 127.353 120.570 -0.237 0.000 2.395 93 I HA 0.412 4.582 4.170 0.001 0.000 0.289 93 I C -0.752 175.221 176.117 -0.240 0.000 1.023 93 I CA -0.342 60.868 61.300 -0.149 0.000 1.350 93 I CB 0.936 38.847 38.000 -0.147 0.000 1.409 93 I HN 0.668 nan 8.210 nan 0.000 0.507 94 R N 4.387 124.816 120.500 -0.118 0.000 2.437 94 R HA 0.253 4.594 4.340 0.001 0.000 0.310 94 R C 1.051 177.187 176.300 -0.273 0.000 0.955 94 R CA -0.389 55.624 56.100 -0.146 0.000 0.851 94 R CB 1.433 31.738 30.300 0.009 0.000 1.161 94 R HN 0.701 nan 8.270 nan 0.000 0.446 95 T N -2.551 111.739 114.554 -0.441 0.000 3.139 95 T HA -0.137 4.213 4.350 0.001 0.000 0.267 95 T C 1.486 175.948 174.700 -0.396 0.000 1.164 95 T CA 1.432 63.170 62.100 -0.603 0.000 1.075 95 T CB -0.307 68.152 68.868 -0.681 0.000 0.904 95 T HN 0.695 nan 8.240 nan 0.000 0.540 96 T N -1.478 112.898 114.554 -0.297 0.000 3.081 96 T HA 0.197 4.548 4.350 0.001 0.000 0.255 96 T C 0.567 175.258 174.700 -0.016 0.000 1.113 96 T CA -0.336 61.678 62.100 -0.144 0.000 1.082 96 T CB -0.218 68.625 68.868 -0.041 0.000 0.939 96 T HN 0.501 nan 8.240 nan 0.000 0.506 97 E N 1.451 121.645 120.200 -0.011 0.000 2.437 97 E HA 0.043 4.394 4.350 0.001 0.000 0.263 97 E C 1.097 177.727 176.600 0.051 0.000 1.030 97 E CA -0.201 56.218 56.400 0.030 0.000 0.934 97 E CB 0.606 30.327 29.700 0.035 0.000 0.943 97 E HN 0.261 nan 8.360 nan 0.000 0.444 98 E N 3.097 123.318 120.200 0.035 0.000 2.077 98 E HA -0.231 4.120 4.350 0.001 0.000 0.193 98 E C 1.885 178.496 176.600 0.019 0.000 0.989 98 E CA 1.868 58.279 56.400 0.019 0.000 0.800 98 E CB 0.049 29.756 29.700 0.011 0.000 0.746 98 E HN 0.552 nan 8.360 nan 0.000 0.452 99 R N -1.017 119.504 120.500 0.036 0.000 2.152 99 R HA -0.186 4.155 4.340 0.001 0.000 0.232 99 R C 2.183 178.507 176.300 0.040 0.000 1.117 99 R CA 1.799 57.919 56.100 0.033 0.000 0.981 99 R CB -0.803 29.526 30.300 0.049 0.000 0.870 99 R HN 0.279 nan 8.270 nan 0.000 0.451 100 H N 1.338 120.389 119.070 -0.031 0.000 2.395 100 H HA -0.000 4.556 4.556 0.001 0.000 0.299 100 H C 2.053 177.349 175.328 -0.054 0.000 1.070 100 H CA 1.969 57.987 56.048 -0.050 0.000 1.356 100 H CB 0.099 29.816 29.762 -0.075 0.000 1.401 100 H HN 0.283 nan 8.280 nan 0.000 0.524 101 K N 0.640 120.988 120.400 -0.086 0.000 2.057 101 K HA -0.196 4.125 4.320 0.001 0.000 0.207 101 K C 2.103 178.605 176.600 -0.163 0.000 1.049 101 K CA 1.876 58.074 56.287 -0.149 0.000 0.931 101 K CB -0.009 32.440 32.500 -0.085 0.000 0.714 101 K HN 0.373 nan 8.250 nan 0.000 0.440 102 K N 0.143 120.478 120.400 -0.109 0.000 2.097 102 K HA -0.070 4.251 4.320 0.001 0.000 0.205 102 K C 1.731 178.274 176.600 -0.094 0.000 1.050 102 K CA 1.622 57.855 56.287 -0.090 0.000 0.938 102 K CB -0.508 31.957 32.500 -0.058 0.000 0.718 102 K HN -0.018 nan 8.250 nan 0.000 0.442 103 V N 0.915 120.765 119.914 -0.106 0.000 2.358 103 V HA -0.176 3.945 4.120 0.001 0.000 0.246 103 V C 2.360 178.380 176.094 -0.123 0.000 1.047 103 V CA 1.383 63.640 62.300 -0.072 0.000 1.035 103 V CB -0.207 31.586 31.823 -0.051 0.000 0.658 103 V HN 0.231 nan 8.190 nan 0.000 0.452 104 V N -0.214 119.548 119.914 -0.252 0.000 2.343 104 V HA -0.310 3.810 4.120 0.001 0.000 0.247 104 V C 2.463 178.490 176.094 -0.111 0.000 1.051 104 V CA 2.073 64.243 62.300 -0.216 0.000 1.036 104 V CB -0.679 30.937 31.823 -0.344 0.000 0.654 104 V HN 0.598 nan 8.190 nan 0.000 0.451 105 Q N -0.672 119.042 119.800 -0.144 0.000 2.123 105 Q HA -0.131 4.209 4.340 0.001 0.000 0.199 105 Q C 2.327 178.297 176.000 -0.050 0.000 0.966 105 Q CA 1.474 57.198 55.803 -0.131 0.000 0.845 105 Q CB -0.183 28.461 28.738 -0.156 0.000 0.907 105 Q HN 0.610 nan 8.270 nan 0.000 0.439 106 L N 0.329 121.533 121.223 -0.033 0.000 2.083 106 L HA -0.159 4.181 4.340 0.001 0.000 0.209 106 L C 2.111 179.015 176.870 0.056 0.000 1.083 106 L CA 0.841 55.688 54.840 0.011 0.000 0.752 106 L CB -0.037 42.025 42.059 0.005 0.000 0.899 106 L HN 0.036 nan 8.230 nan 0.000 0.433 107 V N 0.117 120.062 119.914 0.052 0.000 2.379 107 V HA -0.269 3.851 4.120 0.001 0.000 0.245 107 V C 2.442 178.611 176.094 0.125 0.000 1.044 107 V CA 1.578 63.917 62.300 0.065 0.000 1.036 107 V CB -0.281 31.536 31.823 -0.010 0.000 0.664 107 V HN 0.398 nan 8.190 nan 0.000 0.453 108 L N -0.490 120.811 121.223 0.131 0.000 2.079 108 L HA -0.228 4.112 4.340 0.001 0.000 0.210 108 L C 2.605 179.655 176.870 0.299 0.000 1.081 108 L CA 1.741 56.676 54.840 0.158 0.000 0.752 108 L CB -0.551 41.503 42.059 -0.008 0.000 0.896 108 L HN 0.283 nan 8.230 nan 0.000 0.433 109 K N 0.054 120.589 120.400 0.226 0.000 2.026 109 K HA -0.192 4.128 4.320 0.001 0.000 0.208 109 K C 2.167 178.877 176.600 0.183 0.000 1.048 109 K CA 1.427 57.856 56.287 0.237 0.000 0.929 109 K CB -0.016 32.571 32.500 0.144 0.000 0.713 109 K HN 0.245 nan 8.250 nan 0.000 0.439 110 K N 0.362 120.838 120.400 0.126 0.000 2.032 110 K HA -0.140 4.181 4.320 0.001 0.000 0.209 110 K C 2.038 178.695 176.600 0.095 0.000 1.048 110 K CA 1.531 57.872 56.287 0.091 0.000 0.927 110 K CB -0.198 32.345 32.500 0.071 0.000 0.712 110 K HN -0.036 nan 8.250 nan 0.000 0.441 111 V N 0.576 120.561 119.914 0.119 0.000 2.427 111 V HA -0.250 3.870 4.120 0.001 0.000 0.248 111 V C 2.046 178.215 176.094 0.126 0.000 1.051 111 V CA 1.552 63.938 62.300 0.143 0.000 1.048 111 V CB -0.591 31.314 31.823 0.136 0.000 0.666 111 V HN 0.264 nan 8.190 nan 0.000 0.456 112 Y N 1.579 121.824 120.300 -0.091 0.000 2.109 112 Y HA -0.211 4.339 4.550 0.001 0.000 0.285 112 Y C 2.520 178.307 175.900 -0.190 0.000 1.131 112 Y CA 2.049 59.956 58.100 -0.322 0.000 1.121 112 Y CB -0.321 37.734 38.460 -0.675 0.000 0.987 112 Y HN 0.323 nan 8.280 nan 0.000 0.495 113 E N -0.295 119.863 120.200 -0.070 0.000 2.333 113 E HA -0.147 4.203 4.350 0.001 0.000 0.198 113 E C 1.901 178.439 176.600 -0.103 0.000 1.007 113 E CA 0.731 57.061 56.400 -0.116 0.000 0.845 113 E CB -0.227 29.476 29.700 0.004 0.000 0.766 113 E HN 0.530 nan 8.360 nan 0.000 0.507 114 A N 0.057 122.849 122.820 -0.046 0.000 2.251 114 A HA 0.276 4.597 4.320 0.001 0.000 0.209 114 A C 1.723 179.296 177.584 -0.019 0.000 1.187 114 A CA 0.683 52.719 52.037 -0.003 0.000 0.823 114 A CB -0.203 18.839 19.000 0.070 0.000 0.846 114 A HN 0.305 nan 8.150 nan 0.000 0.486 115 G N -0.393 108.350 108.800 -0.095 0.000 2.136 115 G HA2 -0.211 3.750 3.960 0.001 0.000 0.242 115 G HA3 -0.211 3.750 3.960 0.001 0.000 0.242 115 G C 0.094 175.005 174.900 0.017 0.000 0.989 115 G CA 0.404 45.449 45.100 -0.092 0.000 0.682 115 G HN 0.459 nan 8.290 nan 0.000 0.522 116 D N 0.065 120.534 120.400 0.115 0.000 2.358 116 D HA 0.284 4.925 4.640 0.001 0.000 0.224 116 D C 0.939 177.433 176.300 0.323 0.000 1.123 116 D CA 0.342 54.489 54.000 0.245 0.000 0.833 116 D CB 0.574 41.652 40.800 0.464 0.000 0.946 116 D HN 0.514 nan 8.370 nan 0.000 0.505 117 I N 1.035 121.731 120.570 0.209 0.000 2.499 117 I HA 0.266 4.437 4.170 0.001 0.000 0.288 117 I C -1.053 175.228 176.117 0.274 0.000 1.048 117 I CA -1.222 60.221 61.300 0.239 0.000 1.062 117 I CB 1.687 39.801 38.000 0.189 0.000 1.238 117 I HN -0.159 nan 8.210 nan 0.000 0.426 118 Y N 4.751 125.235 120.300 0.307 0.000 2.588 118 Y HA 0.579 5.130 4.550 0.001 0.000 0.343 118 Y C -1.673 174.453 175.900 0.377 0.000 1.065 118 Y CA -1.566 56.701 58.100 0.278 0.000 1.038 118 Y CB 0.898 39.441 38.460 0.139 0.000 1.297 118 Y HN 0.445 nan 8.280 nan 0.000 0.467 119 Y N 1.781 122.266 120.300 0.308 0.000 2.327 119 Y HA 0.728 5.279 4.550 0.001 0.000 0.336 119 Y C 0.108 176.177 175.900 0.281 0.000 1.035 119 Y CA 0.029 58.135 58.100 0.009 0.000 1.165 119 Y CB 1.104 39.412 38.460 -0.252 0.000 1.181 119 Y HN 1.025 nan 8.280 nan 0.000 0.494 120 G N 4.098 112.842 108.800 -0.094 0.000 2.788 120 G HA2 0.345 4.306 3.960 0.001 0.000 0.293 120 G HA3 0.345 4.306 3.960 0.001 0.000 0.293 120 G C -1.816 173.052 174.900 -0.055 0.000 1.392 120 G CA -0.979 44.130 45.100 0.014 0.000 0.810 120 G HN 0.535 nan 8.290 nan 0.000 0.508 121 E N -0.738 119.457 120.200 -0.008 0.000 2.175 121 E HA 0.472 4.823 4.350 0.001 0.000 0.278 121 E C -1.663 175.019 176.600 0.137 0.000 0.969 121 E CA -0.722 55.704 56.400 0.043 0.000 0.796 121 E CB 1.552 31.256 29.700 0.007 0.000 1.104 121 E HN 0.426 nan 8.360 nan 0.000 0.395 122 Y N 3.299 123.643 120.300 0.074 0.000 2.335 122 Y HA 0.278 4.828 4.550 0.001 0.000 0.339 122 Y C -0.554 175.242 175.900 -0.174 0.000 0.987 122 Y CA -0.353 57.734 58.100 -0.020 0.000 1.140 122 Y CB 1.117 39.480 38.460 -0.162 0.000 1.173 122 Y HN 0.547 nan 8.280 nan 0.000 0.486 123 E N 4.187 124.223 120.200 -0.274 0.000 2.266 123 E HA 0.727 5.078 4.350 0.001 0.000 0.268 123 E C -0.895 175.661 176.600 -0.074 0.000 0.879 123 E CA -0.726 55.643 56.400 -0.052 0.000 0.762 123 E CB 1.938 31.630 29.700 -0.014 0.000 1.199 123 E HN 0.938 nan 8.360 nan 0.000 0.422 124 G N 1.958 110.920 108.800 0.270 0.000 2.327 124 G HA2 0.138 4.099 3.960 0.001 0.000 0.291 124 G HA3 0.138 4.099 3.960 0.001 0.000 0.291 124 G C -1.412 173.822 174.900 0.557 0.000 1.290 124 G CA -1.027 44.281 45.100 0.346 0.000 0.857 124 G HN 0.487 nan 8.290 nan 0.000 0.520 125 L N 0.379 121.877 121.223 0.458 0.000 2.453 125 L HA 0.460 4.800 4.340 0.001 0.000 0.272 125 L C -0.414 176.739 176.870 0.472 0.000 1.182 125 L CA -0.160 54.914 54.840 0.390 0.000 0.858 125 L CB 0.655 42.892 42.059 0.296 0.000 1.120 125 L HN 0.588 nan 8.230 nan 0.000 0.474 126 Y N 2.813 123.185 120.300 0.120 0.000 2.492 126 Y HA 0.347 4.898 4.550 0.001 0.000 0.346 126 Y C -0.673 175.226 175.900 -0.001 0.000 0.997 126 Y CA -0.978 57.053 58.100 -0.114 0.000 1.025 126 Y CB 1.830 40.037 38.460 -0.422 0.000 1.263 126 Y HN 0.577 nan 8.280 nan 0.000 0.454 127 C N 7.837 126.953 119.300 -0.306 0.000 2.251 127 C HA 0.434 4.894 4.460 0.001 0.000 0.323 127 C C 1.422 176.228 174.990 -0.307 0.000 1.241 127 C CA -0.189 58.753 59.018 -0.127 0.000 1.601 127 C CB -1.043 26.754 27.740 0.095 0.000 2.251 127 C HN 0.900 nan 8.230 nan 0.000 0.488 128 V N 3.949 123.829 119.914 -0.056 0.000 2.867 128 V HA -0.019 4.101 4.120 0.001 0.000 0.260 128 V C 2.087 178.134 176.094 -0.079 0.000 1.099 128 V CA 2.427 64.746 62.300 0.032 0.000 1.122 128 V CB -0.851 31.022 31.823 0.083 0.000 0.708 128 V HN 0.854 nan 8.190 nan 0.000 0.490 129 S N -1.139 114.441 115.700 -0.201 0.000 2.406 129 S HA -0.092 4.378 4.470 0.001 0.000 0.224 129 S C 1.815 176.348 174.600 -0.111 0.000 1.030 129 S CA 1.474 59.489 58.200 -0.308 0.000 0.958 129 S CB -0.438 62.225 63.200 -0.895 0.000 0.811 129 S HN 0.762 nan 8.310 nan 0.000 0.489 130 C N 0.690 119.972 119.300 -0.030 0.000 2.485 130 C HA 0.308 4.769 4.460 0.001 0.000 0.277 130 C C 0.968 175.910 174.990 -0.081 0.000 1.376 130 C CA 0.203 59.282 59.018 0.102 0.000 1.759 130 C CB -0.952 26.905 27.740 0.195 0.000 1.970 130 C HN 0.778 nan 8.230 nan 0.000 0.509 131 E N 0.492 120.545 120.200 -0.246 0.000 2.287 131 E HA -0.183 4.167 4.350 0.001 0.000 0.229 131 E C -0.057 176.288 176.600 -0.424 0.000 1.194 131 E CA 0.486 56.733 56.400 -0.254 0.000 0.704 131 E CB -0.889 28.802 29.700 -0.014 0.000 1.216 131 E HN 0.641 nan 8.360 nan 0.000 0.381 132 R N 0.355 120.248 120.500 -1.012 0.000 2.709 132 R HA 0.368 4.708 4.340 0.001 0.000 0.270 132 R C -1.136 174.588 176.300 -0.961 0.000 1.038 132 R CA -0.621 55.042 56.100 -0.728 0.000 0.872 132 R CB 0.514 30.559 30.300 -0.426 0.000 1.259 132 R HN 0.007 nan 8.270 nan 0.000 0.473 133 F N 1.285 121.040 119.950 -0.325 0.000 2.371 133 F HA 0.475 5.003 4.527 0.001 0.000 0.329 133 F C -0.117 175.513 175.800 -0.283 0.000 1.107 133 F CA 0.244 58.199 58.000 -0.075 0.000 1.137 133 F CB 0.757 39.894 39.000 0.228 0.000 1.214 133 F HN 0.285 nan 8.300 nan 0.000 0.536 134 Y N -0.462 120.033 120.300 0.326 0.000 2.457 134 Y HA 0.356 4.906 4.550 0.001 0.000 0.343 134 Y C 0.116 176.151 175.900 0.225 0.000 0.994 134 Y CA -1.237 56.991 58.100 0.213 0.000 1.031 134 Y CB 2.168 40.700 38.460 0.120 0.000 1.246 134 Y HN 0.619 nan 8.280 nan 0.000 0.449 135 T N -1.843 112.925 114.554 0.357 0.000 2.913 135 T HA 0.216 4.567 4.350 0.001 0.000 0.287 135 T C 0.816 175.638 174.700 0.204 0.000 1.008 135 T CA -0.636 61.613 62.100 0.247 0.000 1.067 135 T CB 1.358 70.344 68.868 0.197 0.000 0.996 135 T HN 0.787 nan 8.240 nan 0.000 0.513 136 E N 0.507 120.798 120.200 0.151 0.000 2.147 136 E HA -0.227 4.123 4.350 0.001 0.000 0.199 136 E C 1.976 178.631 176.600 0.092 0.000 1.005 136 E CA 1.310 57.776 56.400 0.109 0.000 0.810 136 E CB -0.093 29.658 29.700 0.086 0.000 0.736 136 E HN 0.749 nan 8.360 nan 0.000 0.460 137 K N 0.903 121.364 120.400 0.101 0.000 2.209 137 K HA -0.193 4.128 4.320 0.001 0.000 0.204 137 K C 1.593 178.247 176.600 0.090 0.000 1.048 137 K CA 1.337 57.677 56.287 0.088 0.000 0.940 137 K CB 0.151 32.707 32.500 0.094 0.000 0.729 137 K HN 0.148 nan 8.250 nan 0.000 0.451 138 E N 0.050 120.325 120.200 0.125 0.000 2.230 138 E HA -0.038 4.313 4.350 0.001 0.000 0.192 138 E C 0.027 176.633 176.600 0.009 0.000 0.987 138 E CA -0.123 56.351 56.400 0.124 0.000 0.841 138 E CB 0.201 30.074 29.700 0.288 0.000 0.783 138 E HN 0.094 nan 8.360 nan 0.000 0.481 139 L N 1.857 123.076 121.223 -0.006 0.000 2.461 139 L HA 0.031 4.371 4.340 0.001 0.000 0.272 139 L C 0.372 177.211 176.870 -0.053 0.000 1.197 139 L CA 0.137 54.926 54.840 -0.085 0.000 0.836 139 L CB 0.723 42.764 42.059 -0.031 0.000 1.105 139 L HN -0.043 nan 8.230 nan 0.000 0.477 140 V N 0.378 120.248 119.914 -0.074 0.000 2.277 140 V HA 0.461 4.581 4.120 0.001 0.000 0.269 140 V C 0.501 176.577 176.094 -0.029 0.000 1.036 140 V CA -0.630 61.644 62.300 -0.044 0.000 0.821 140 V CB 0.538 32.330 31.823 -0.053 0.000 1.052 140 V HN 0.855 nan 8.190 nan 0.000 0.462 141 E N 4.186 124.379 120.200 -0.013 0.000 2.957 141 E HA -0.139 4.211 4.350 0.001 0.000 0.287 141 E C 1.124 177.723 176.600 -0.003 0.000 0.976 141 E CA 1.493 57.890 56.400 -0.005 0.000 0.907 141 E CB -1.442 28.253 29.700 -0.007 0.000 1.456 141 E HN 2.525 nan 8.360 nan 0.000 0.421 142 G N -1.336 107.463 108.800 -0.003 0.000 2.143 142 G HA2 -0.283 3.678 3.960 0.001 0.000 0.249 142 G HA3 -0.283 3.678 3.960 0.001 0.000 0.249 142 G C 0.198 175.093 174.900 -0.007 0.000 0.981 142 G CA 0.417 45.520 45.100 0.006 0.000 0.665 142 G HN 0.426 nan 8.290 nan 0.000 0.528 143 L N -0.747 120.456 121.223 -0.032 0.000 2.301 143 L HA 0.611 4.952 4.340 0.001 0.000 0.264 143 L C 1.252 178.052 176.870 -0.117 0.000 1.016 143 L CA -1.244 53.569 54.840 -0.046 0.000 0.821 143 L CB 1.818 43.860 42.059 -0.029 0.000 1.346 143 L HN 0.221 nan 8.230 nan 0.000 0.429 144 C N 3.558 122.782 119.300 -0.127 0.000 2.633 144 C HA 0.103 4.564 4.460 0.001 0.000 0.415 144 C C -0.553 174.303 174.990 -0.223 0.000 1.393 144 C CA -1.019 57.842 59.018 -0.261 0.000 1.700 144 C CB -0.009 27.687 27.740 -0.073 0.000 2.541 144 C HN 0.591 nan 8.230 nan 0.000 0.603 145 P HA -0.104 nan 4.420 nan 0.000 0.225 145 P C 1.309 178.533 177.300 -0.127 0.000 1.148 145 P CA 1.450 64.441 63.100 -0.183 0.000 0.779 145 P CB 0.073 31.669 31.700 -0.174 0.000 0.780 146 I N -0.756 119.732 120.570 -0.137 0.000 2.685 146 I HA -0.017 4.153 4.170 0.001 0.000 0.251 146 I C 2.062 178.023 176.117 -0.260 0.000 1.102 146 I CA 1.209 62.399 61.300 -0.183 0.000 1.442 146 I CB -1.548 36.326 38.000 -0.210 0.000 1.194 146 I HN 0.019 nan 8.210 nan 0.000 0.448 147 H N 0.732 119.778 119.070 -0.039 0.000 2.563 147 H HA 0.260 4.816 4.556 0.001 0.000 0.264 147 H C 1.458 176.766 175.328 -0.034 0.000 0.957 147 H CA 0.657 56.689 56.048 -0.027 0.000 1.173 147 H CB -0.067 29.685 29.762 -0.016 0.000 1.420 147 H HN 0.453 nan 8.280 nan 0.000 0.551 148 G N 1.344 110.164 108.800 0.033 0.000 2.258 148 G HA2 -0.365 3.595 3.960 0.001 0.000 0.274 148 G HA3 -0.365 3.595 3.960 0.001 0.000 0.274 148 G C 0.270 175.182 174.900 0.019 0.000 1.021 148 G CA 0.699 45.801 45.100 0.004 0.000 0.798 148 G HN 0.612 nan 8.290 nan 0.000 0.507 149 R N -1.376 119.146 120.500 0.036 0.000 2.892 149 R HA 0.747 5.087 4.340 0.001 0.000 0.265 149 R C -3.022 173.284 176.300 0.010 0.000 1.025 149 R CA -2.369 53.745 56.100 0.023 0.000 0.982 149 R CB 1.110 31.426 30.300 0.028 0.000 1.185 149 R HN 0.014 nan 8.270 nan 0.000 0.484 150 P HA -0.058 nan 4.420 nan 0.000 0.267 150 P C -0.477 176.839 177.300 0.028 0.000 1.201 150 P CA -0.302 62.809 63.100 0.019 0.000 0.775 150 P CB 0.596 32.309 31.700 0.022 0.000 0.854 151 V N -1.160 118.782 119.914 0.048 0.000 2.994 151 V HA 0.634 4.755 4.120 0.001 0.000 0.318 151 V C -0.305 175.848 176.094 0.098 0.000 1.085 151 V CA -0.774 61.575 62.300 0.081 0.000 0.998 151 V CB 1.974 33.868 31.823 0.119 0.000 1.063 151 V HN 0.422 nan 8.190 nan 0.000 0.447 152 E N 0.596 120.873 120.200 0.128 0.000 2.320 152 E HA 0.560 4.910 4.350 0.001 0.000 0.264 152 E C -1.171 175.530 176.600 0.169 0.000 0.923 152 E CA -1.093 55.382 56.400 0.124 0.000 0.796 152 E CB 2.366 32.126 29.700 0.099 0.000 1.262 152 E HN 0.624 nan 8.360 nan 0.000 0.428 153 R N 1.919 122.506 120.500 0.146 0.000 2.234 153 R HA 0.409 4.750 4.340 0.001 0.000 0.324 153 R C -0.009 176.383 176.300 0.152 0.000 1.054 153 R CA -0.539 55.669 56.100 0.179 0.000 0.912 153 R CB 0.624 31.007 30.300 0.139 0.000 1.030 153 R HN 0.204 nan 8.270 nan 0.000 0.455 154 R N 2.109 122.732 120.500 0.205 0.000 2.930 154 R HA 0.438 4.778 4.340 0.001 0.000 0.257 154 R C -0.453 176.005 176.300 0.263 0.000 1.107 154 R CA -0.932 55.225 56.100 0.095 0.000 0.999 154 R CB 1.977 32.134 30.300 -0.238 0.000 1.209 154 R HN 0.635 nan 8.270 nan 0.000 0.486 155 K N 0.001 120.499 120.400 0.162 0.000 2.385 155 K HA 0.629 4.950 4.320 0.001 0.000 0.248 155 K C -0.959 175.762 176.600 0.202 0.000 0.955 155 K CA -0.837 55.576 56.287 0.210 0.000 0.816 155 K CB 2.895 35.463 32.500 0.113 0.000 1.250 155 K HN 0.518 nan 8.250 nan 0.000 0.434 156 E N 0.814 121.155 120.200 0.236 0.000 2.354 156 E HA 0.274 4.624 4.350 0.001 0.000 0.283 156 E C -1.051 175.630 176.600 0.135 0.000 0.938 156 E CA -0.886 55.629 56.400 0.190 0.000 0.777 156 E CB 1.903 31.778 29.700 0.292 0.000 1.222 156 E HN 0.853 nan 8.360 nan 0.000 0.423 157 G N 2.685 111.550 108.800 0.109 0.000 2.380 157 G HA2 0.381 4.341 3.960 0.001 0.000 0.262 157 G HA3 0.381 4.341 3.960 0.001 0.000 0.262 157 G C -0.560 174.323 174.900 -0.028 0.000 1.243 157 G CA -0.121 44.952 45.100 -0.046 0.000 0.865 157 G HN 0.429 nan 8.290 nan 0.000 0.513 158 N N -0.376 118.123 118.700 -0.335 0.000 2.329 158 N HA 0.379 5.120 4.740 0.001 0.000 0.282 158 N C -1.447 173.763 175.510 -0.499 0.000 1.198 158 N CA -0.703 52.176 53.050 -0.284 0.000 0.790 158 N CB 1.377 39.566 38.487 -0.497 0.000 1.579 158 N HN 0.443 nan 8.380 nan 0.000 0.475 159 Y N 0.416 120.553 120.300 -0.271 0.000 2.320 159 Y HA 0.525 5.075 4.550 0.001 0.000 0.324 159 Y C -0.236 175.465 175.900 -0.332 0.000 1.190 159 Y CA 0.025 58.083 58.100 -0.070 0.000 1.215 159 Y CB 0.728 39.268 38.460 0.133 0.000 1.221 159 Y HN 0.352 nan 8.280 nan 0.000 0.486 160 F N 2.019 121.874 119.950 -0.159 0.000 2.579 160 F HA 0.419 4.946 4.527 0.001 0.000 0.324 160 F C -0.850 174.895 175.800 -0.090 0.000 1.058 160 F CA -1.230 56.621 58.000 -0.248 0.000 0.944 160 F CB 1.336 39.931 39.000 -0.676 0.000 1.245 160 F HN 0.239 nan 8.300 nan 0.000 0.477 161 F N 2.151 122.196 119.950 0.159 0.000 2.427 161 F HA 0.519 5.046 4.527 0.001 0.000 0.346 161 F C 0.183 176.139 175.800 0.259 0.000 1.120 161 F CA -1.425 56.700 58.000 0.210 0.000 1.033 161 F CB 1.083 40.261 39.000 0.298 0.000 1.126 161 F HN 0.387 nan 8.300 nan 0.000 0.462 162 R N 7.012 127.341 120.500 -0.285 0.000 3.688 162 R HA 0.100 4.441 4.340 0.001 0.000 0.194 162 R C 1.422 177.361 176.300 -0.601 0.000 1.677 162 R CA -0.045 55.905 56.100 -0.251 0.000 1.351 162 R CB -0.137 30.129 30.300 -0.057 0.000 1.338 162 R HN 0.880 nan 8.270 nan 0.000 0.731 163 M N 0.877 120.148 119.600 -0.548 0.000 2.175 163 M HA -0.186 4.295 4.480 0.001 0.000 0.264 163 M C 1.872 178.204 176.300 0.053 0.000 1.063 163 M CA 1.749 56.905 55.300 -0.240 0.000 1.119 163 M CB 0.146 32.815 32.600 0.114 0.000 1.377 163 M HN 0.299 nan 8.290 nan 0.000 0.415 164 E N 1.062 121.270 120.200 0.014 0.000 2.171 164 E HA -0.276 4.074 4.350 0.001 0.000 0.197 164 E C 1.777 178.377 176.600 -0.001 0.000 0.997 164 E CA 1.788 58.212 56.400 0.041 0.000 0.810 164 E CB -0.376 29.333 29.700 0.016 0.000 0.738 164 E HN 0.524 nan 8.360 nan 0.000 0.467 165 K N -0.855 119.475 120.400 -0.116 0.000 2.160 165 K HA -0.215 4.105 4.320 0.001 0.000 0.206 165 K C 1.064 177.448 176.600 -0.359 0.000 1.047 165 K CA 1.646 57.755 56.287 -0.296 0.000 0.930 165 K CB -0.245 31.948 32.500 -0.512 0.000 0.720 165 K HN 0.321 nan 8.250 nan 0.000 0.450 166 Y N -0.253 120.101 120.300 0.091 0.000 2.457 166 Y HA 0.165 4.715 4.550 0.001 0.000 0.263 166 Y C 2.140 178.236 175.900 0.328 0.000 1.164 166 Y CA -0.130 58.109 58.100 0.231 0.000 1.274 166 Y CB 0.165 38.778 38.460 0.254 0.000 1.097 166 Y HN 0.031 nan 8.280 nan 0.000 0.523 167 R N 1.164 121.841 120.500 0.295 0.000 2.080 167 R HA -0.146 4.195 4.340 0.001 0.000 0.236 167 R C -0.848 175.564 176.300 0.188 0.000 1.137 167 R CA 1.869 58.107 56.100 0.231 0.000 0.943 167 R CB -1.138 29.252 30.300 0.150 0.000 0.846 167 R HN 0.175 nan 8.270 nan 0.000 0.431 168 P HA -0.207 nan 4.420 nan 0.000 0.215 168 P C 0.558 177.956 177.300 0.163 0.000 1.157 168 P CA 1.384 64.560 63.100 0.127 0.000 0.874 168 P CB -0.332 31.430 31.700 0.103 0.000 0.790 169 W N 0.145 121.501 121.300 0.094 0.000 2.335 169 W HA -0.174 4.486 4.660 0.000 0.000 0.311 169 W C 2.020 178.628 176.519 0.148 0.000 1.213 169 W CA 1.299 58.718 57.345 0.124 0.000 1.274 169 W CB -1.118 28.436 29.460 0.155 0.000 1.148 169 W HN -0.192 nan 8.180 nan 0.000 0.498 170 L N 0.601 121.685 121.223 -0.232 0.000 2.017 170 L HA -0.281 4.059 4.340 0.001 0.000 0.208 170 L C 2.839 179.538 176.870 -0.285 0.000 1.073 170 L CA 2.340 56.842 54.840 -0.563 0.000 0.745 170 L CB -0.895 41.126 42.059 -0.063 0.000 0.894 170 L HN 0.238 nan 8.230 nan 0.000 0.432 171 Q N -0.065 119.676 119.800 -0.098 0.000 2.030 171 Q HA -0.326 4.015 4.340 0.001 0.000 0.204 171 Q C 2.052 177.999 176.000 -0.087 0.000 0.986 171 Q CA 2.364 58.136 55.803 -0.053 0.000 0.843 171 Q CB -0.141 28.596 28.738 -0.001 0.000 0.904 171 Q HN 0.505 nan 8.270 nan 0.000 0.420 172 E N -1.012 119.130 120.200 -0.097 0.000 2.110 172 E HA -0.229 4.122 4.350 0.001 0.000 0.193 172 E C 1.763 178.274 176.600 -0.147 0.000 0.988 172 E CA 1.051 57.396 56.400 -0.091 0.000 0.804 172 E CB -0.211 29.466 29.700 -0.039 0.000 0.745 172 E HN 0.516 nan 8.360 nan 0.000 0.458 173 Y N 0.792 120.847 120.300 -0.409 0.000 2.200 173 Y HA -0.157 4.394 4.550 0.001 0.000 0.290 173 Y C 1.908 177.640 175.900 -0.280 0.000 1.137 173 Y CA 1.766 59.611 58.100 -0.425 0.000 1.163 173 Y CB 0.001 37.978 38.460 -0.805 0.000 0.988 173 Y HN 0.036 nan 8.280 nan 0.000 0.518 174 I N -0.089 120.412 120.570 -0.115 0.000 2.315 174 I HA -0.322 3.848 4.170 0.001 0.000 0.248 174 I C 2.201 178.247 176.117 -0.119 0.000 1.117 174 I CA 1.404 62.651 61.300 -0.089 0.000 1.404 174 I CB -0.477 37.504 38.000 -0.032 0.000 1.071 174 I HN 0.337 nan 8.210 nan 0.000 0.419 175 Q N 0.799 120.531 119.800 -0.112 0.000 2.119 175 Q HA -0.233 4.107 4.340 0.001 0.000 0.201 175 Q C 1.952 177.878 176.000 -0.122 0.000 0.972 175 Q CA 1.723 57.470 55.803 -0.093 0.000 0.847 175 Q CB -0.154 28.543 28.738 -0.069 0.000 0.903 175 Q HN 0.663 nan 8.270 nan 0.000 0.433 176 E N 0.068 120.158 120.200 -0.183 0.000 2.435 176 E HA -0.021 4.329 4.350 0.001 0.000 0.195 176 E C 0.200 176.641 176.600 -0.265 0.000 1.029 176 E CA 0.293 56.569 56.400 -0.206 0.000 0.865 176 E CB 0.218 29.782 29.700 -0.227 0.000 0.833 176 E HN 0.124 nan 8.360 nan 0.000 0.510 177 N N 1.758 120.265 118.700 -0.322 0.000 2.904 177 N HA 0.148 4.888 4.740 0.001 0.000 0.257 177 N C -2.262 173.148 175.510 -0.166 0.000 1.363 177 N CA -1.310 51.556 53.050 -0.306 0.000 0.856 177 N CB 1.649 39.826 38.487 -0.518 0.000 1.166 177 N HN 0.041 nan 8.380 nan 0.000 0.499 178 P HA -0.127 nan 4.420 nan 0.000 0.217 178 P C 0.479 177.764 177.300 -0.024 0.000 1.148 178 P CA 1.329 64.395 63.100 -0.057 0.000 0.834 178 P CB 0.382 32.054 31.700 -0.047 0.000 0.783 179 D N -1.759 118.630 120.400 -0.018 0.000 2.340 179 D HA 0.055 4.695 4.640 0.001 0.000 0.217 179 D C 1.747 178.095 176.300 0.081 0.000 1.081 179 D CA -0.063 53.965 54.000 0.046 0.000 0.842 179 D CB -0.082 40.778 40.800 0.101 0.000 0.934 179 D HN 0.167 nan 8.370 nan 0.000 0.511 180 L N 0.634 121.852 121.223 -0.009 0.000 1.989 180 L HA -0.095 4.245 4.340 0.001 0.000 0.211 180 L C 0.467 177.412 176.870 0.125 0.000 1.071 180 L CA 1.274 56.115 54.840 0.002 0.000 0.749 180 L CB 0.115 42.184 42.059 0.016 0.000 0.890 180 L HN -0.093 nan 8.230 nan 0.000 0.431 181 I N 0.785 121.426 120.570 0.118 0.000 2.291 181 I HA 0.091 4.261 4.170 0.001 0.000 0.292 181 I C 1.152 177.336 176.117 0.112 0.000 1.064 181 I CA -0.016 61.366 61.300 0.137 0.000 1.269 181 I CB 0.851 38.934 38.000 0.139 0.000 1.418 181 I HN 0.171 nan 8.210 nan 0.000 0.485 182 R N 7.750 128.304 120.500 0.090 0.000 2.280 182 R HA -0.049 4.292 4.340 0.001 0.000 0.209 182 R C -1.499 174.859 176.300 0.097 0.000 1.059 182 R CA 1.261 57.391 56.100 0.051 0.000 0.847 182 R CB -1.720 28.567 30.300 -0.021 0.000 0.763 182 R HN 0.356 nan 8.270 nan 0.000 0.452 183 P HA -0.036 nan 4.420 nan 0.000 0.258 183 P C -0.235 177.161 177.300 0.160 0.000 1.187 183 P CA 0.377 63.602 63.100 0.209 0.000 0.767 183 P CB 0.649 32.588 31.700 0.399 0.000 0.770 184 E N 4.306 124.538 120.200 0.053 0.000 2.136 184 E HA -0.258 4.093 4.350 0.001 0.000 0.208 184 E C 2.208 178.784 176.600 -0.040 0.000 1.035 184 E CA 2.526 58.931 56.400 0.007 0.000 0.838 184 E CB -1.059 28.630 29.700 -0.019 0.000 0.748 184 E HN 0.573 nan 8.360 nan 0.000 0.459 185 G N -1.460 107.254 108.800 -0.143 0.000 2.475 185 G HA2 -0.282 3.679 3.960 0.001 0.000 0.220 185 G HA3 -0.282 3.679 3.960 0.001 0.000 0.220 185 G C 1.224 175.930 174.900 -0.324 0.000 1.125 185 G CA 1.185 46.112 45.100 -0.289 0.000 0.755 185 G HN 0.415 nan 8.290 nan 0.000 0.565 186 Y N -0.122 120.162 120.300 -0.027 0.000 2.395 186 Y HA 0.096 4.647 4.550 0.001 0.000 0.293 186 Y C 2.815 178.715 175.900 0.001 0.000 1.123 186 Y CA 0.898 58.986 58.100 -0.019 0.000 1.227 186 Y CB -0.069 38.380 38.460 -0.019 0.000 1.012 186 Y HN 0.083 nan 8.280 nan 0.000 0.552 187 R N 1.239 121.812 120.500 0.123 0.000 2.073 187 R HA -0.193 4.147 4.340 0.001 0.000 0.234 187 R C 1.398 177.723 176.300 0.042 0.000 1.134 187 R CA 2.188 58.336 56.100 0.080 0.000 0.952 187 R CB -0.496 29.834 30.300 0.050 0.000 0.850 187 R HN 0.465 nan 8.270 nan 0.000 0.433 188 N N 0.128 118.833 118.700 0.008 0.000 2.166 188 N HA -0.193 4.548 4.740 0.001 0.000 0.186 188 N C 1.743 177.255 175.510 0.003 0.000 1.019 188 N CA 1.184 54.230 53.050 -0.007 0.000 0.856 188 N CB -0.085 38.382 38.487 -0.033 0.000 0.993 188 N HN 0.406 nan 8.380 nan 0.000 0.426 189 E N 0.776 120.980 120.200 0.007 0.000 2.110 189 E HA -0.141 4.210 4.350 0.001 0.000 0.193 189 E C 1.745 178.374 176.600 0.049 0.000 0.988 189 E CA 0.819 57.233 56.400 0.024 0.000 0.804 189 E CB 0.235 29.960 29.700 0.042 0.000 0.745 189 E HN 0.129 nan 8.360 nan 0.000 0.458 190 V N 1.114 121.069 119.914 0.068 0.000 2.379 190 V HA -0.216 3.905 4.120 0.001 0.000 0.245 190 V C 2.370 178.495 176.094 0.052 0.000 1.044 190 V CA 1.140 63.482 62.300 0.070 0.000 1.036 190 V CB -0.340 31.538 31.823 0.092 0.000 0.664 190 V HN 0.340 nan 8.190 nan 0.000 0.453 191 L N 0.197 121.443 121.223 0.038 0.000 2.127 191 L HA -0.176 4.164 4.340 0.001 0.000 0.211 191 L C 2.658 179.543 176.870 0.025 0.000 1.089 191 L CA 1.466 56.320 54.840 0.025 0.000 0.757 191 L CB -0.674 41.392 42.059 0.011 0.000 0.899 191 L HN 0.390 nan 8.230 nan 0.000 0.434 192 A N -0.433 122.402 122.820 0.025 0.000 1.930 192 A HA -0.183 4.138 4.320 0.001 0.000 0.217 192 A C 2.289 179.893 177.584 0.034 0.000 1.175 192 A CA 1.305 53.356 52.037 0.024 0.000 0.627 192 A CB -0.318 18.693 19.000 0.018 0.000 0.815 192 A HN 0.305 nan 8.150 nan 0.000 0.443 193 M N -0.475 119.151 119.600 0.043 0.000 2.067 193 M HA -0.065 4.415 4.480 0.001 0.000 0.260 193 M C 1.770 178.107 176.300 0.062 0.000 1.069 193 M CA 1.360 56.693 55.300 0.054 0.000 1.117 193 M CB -0.491 32.143 32.600 0.057 0.000 1.334 193 M HN 0.317 nan 8.290 nan 0.000 0.407 194 L N -0.103 121.157 121.223 0.062 0.000 2.633 194 L HA -0.094 4.247 4.340 0.001 0.000 0.235 194 L C 2.576 179.478 176.870 0.053 0.000 1.163 194 L CA 0.158 55.038 54.840 0.067 0.000 0.859 194 L CB -0.916 41.178 42.059 0.058 0.000 0.973 194 L HN 0.292 nan 8.230 nan 0.000 0.451 195 A N -0.389 122.456 122.820 0.043 0.000 1.897 195 A HA -0.095 4.226 4.320 0.001 0.000 0.215 195 A C 1.151 178.757 177.584 0.037 0.000 1.181 195 A CA 0.917 52.974 52.037 0.033 0.000 0.620 195 A CB -0.079 18.936 19.000 0.026 0.000 0.821 195 A HN 0.282 nan 8.150 nan 0.000 0.443 196 E N -0.503 119.723 120.200 0.043 0.000 2.250 196 E HA 0.475 4.826 4.350 0.001 0.000 0.269 196 E C -2.719 173.913 176.600 0.054 0.000 1.018 196 E CA -2.500 53.925 56.400 0.043 0.000 0.873 196 E CB 0.665 30.390 29.700 0.042 0.000 1.134 196 E HN 0.032 nan 8.360 nan 0.000 0.403 197 P HA -0.003 nan 4.420 nan 0.000 0.264 197 P C 0.166 177.509 177.300 0.071 0.000 1.183 197 P CA 0.517 63.648 63.100 0.052 0.000 0.763 197 P CB 0.248 31.968 31.700 0.033 0.000 0.807 198 I N -0.033 120.593 120.570 0.094 0.000 3.883 198 I HA 0.294 4.465 4.170 0.001 0.000 0.326 198 I C 0.987 177.169 176.117 0.108 0.000 1.283 198 I CA -0.141 61.236 61.300 0.128 0.000 1.161 198 I CB -0.705 37.408 38.000 0.189 0.000 1.012 198 I HN 0.463 nan 8.210 nan 0.000 0.421 199 G N 2.402 111.244 108.800 0.071 0.000 2.649 199 G HA2 -0.255 3.706 3.960 0.001 0.000 0.281 199 G HA3 -0.255 3.706 3.960 0.001 0.000 0.281 199 G C -0.796 174.139 174.900 0.059 0.000 1.325 199 G CA 0.253 45.383 45.100 0.050 0.000 0.916 199 G HN 0.534 nan 8.290 nan 0.000 0.562 200 D N -0.354 120.087 120.400 0.069 0.000 2.193 200 D HA 0.609 5.249 4.640 0.001 0.000 0.249 200 D C 0.001 176.420 176.300 0.199 0.000 1.034 200 D CA -0.220 53.856 54.000 0.126 0.000 0.902 200 D CB 1.674 42.571 40.800 0.163 0.000 1.182 200 D HN 0.243 nan 8.370 nan 0.000 0.436 201 L N 0.567 121.947 121.223 0.262 0.000 2.346 201 L HA 0.251 4.591 4.340 0.001 0.000 0.274 201 L C 0.503 177.592 176.870 0.365 0.000 1.007 201 L CA -0.741 54.225 54.840 0.210 0.000 0.818 201 L CB 1.698 43.611 42.059 -0.242 0.000 1.284 201 L HN 0.255 nan 8.230 nan 0.000 0.424 202 S N 2.537 118.358 115.700 0.202 0.000 2.533 202 S HA 0.276 4.746 4.470 0.001 0.000 0.282 202 S C 0.905 175.602 174.600 0.162 0.000 1.304 202 S CA -0.271 57.786 58.200 -0.238 0.000 1.063 202 S CB 0.051 63.081 63.200 -0.283 0.000 0.881 202 S HN 0.549 nan 8.310 nan 0.000 0.493 203 I N 2.322 122.879 120.570 -0.021 0.000 4.025 203 I HA 0.412 4.583 4.170 0.001 0.000 0.336 203 I C 0.148 176.153 176.117 -0.187 0.000 1.390 203 I CA -0.502 60.731 61.300 -0.111 0.000 1.099 203 I CB 0.044 37.851 38.000 -0.321 0.000 1.049 203 I HN 0.538 nan 8.210 nan 0.000 0.394 204 S N 0.272 115.911 115.700 -0.103 0.000 2.611 204 S HA 0.691 5.161 4.470 0.001 0.000 0.268 204 S C -0.869 173.763 174.600 0.053 0.000 1.156 204 S CA -0.930 57.258 58.200 -0.019 0.000 0.817 204 S CB 2.266 65.513 63.200 0.077 0.000 1.122 204 S HN 0.346 nan 8.310 nan 0.000 0.466 205 R N -0.035 120.524 120.500 0.098 0.000 2.707 205 R HA 0.551 4.892 4.340 0.001 0.000 0.272 205 R C -3.270 172.940 176.300 -0.150 0.000 1.011 205 R CA -2.180 53.941 56.100 0.036 0.000 0.893 205 R CB 2.094 32.387 30.300 -0.012 0.000 1.233 205 R HN 0.408 nan 8.270 nan 0.000 0.464 206 P HA -0.050 nan 4.420 nan 0.000 0.266 206 P C 0.025 177.161 177.300 -0.274 0.000 1.195 206 P CA 0.180 62.960 63.100 -0.532 0.000 0.768 206 P CB 0.660 32.185 31.700 -0.291 0.000 0.838 207 K N 2.497 122.743 120.400 -0.257 0.000 2.209 207 K HA -0.150 4.171 4.320 0.001 0.000 0.204 207 K C 1.713 178.234 176.600 -0.131 0.000 1.048 207 K CA 1.790 57.975 56.287 -0.171 0.000 0.940 207 K CB -0.235 32.174 32.500 -0.151 0.000 0.729 207 K HN 0.514 nan 8.250 nan 0.000 0.451 208 S N 0.245 115.876 115.700 -0.116 0.000 2.399 208 S HA -0.096 4.375 4.470 0.001 0.000 0.231 208 S C 1.796 176.364 174.600 -0.053 0.000 1.022 208 S CA 0.523 58.680 58.200 -0.071 0.000 0.983 208 S CB -0.144 63.023 63.200 -0.054 0.000 0.803 208 S HN 0.278 nan 8.310 nan 0.000 0.480 209 R N 0.601 121.067 120.500 -0.056 0.000 2.128 209 R HA 0.359 4.700 4.340 0.001 0.000 0.211 209 R C 0.063 176.345 176.300 -0.030 0.000 1.067 209 R CA 0.439 56.531 56.100 -0.015 0.000 1.010 209 R CB -0.499 29.813 30.300 0.020 0.000 0.922 209 R HN 0.410 nan 8.270 nan 0.000 0.457 210 V N 4.228 124.101 119.914 -0.068 0.000 2.340 210 V HA 0.208 4.328 4.120 0.001 0.000 0.277 210 V C -1.896 174.115 176.094 -0.138 0.000 1.017 210 V CA -1.069 61.185 62.300 -0.076 0.000 0.820 210 V CB 2.404 34.202 31.823 -0.043 0.000 1.028 210 V HN 0.060 nan 8.190 nan 0.000 0.436 211 P HA -0.001 nan 4.420 nan 0.000 0.251 211 P C 0.239 177.433 177.300 -0.177 0.000 1.223 211 P CA 0.332 63.278 63.100 -0.258 0.000 0.796 211 P CB 0.647 32.116 31.700 -0.385 0.000 1.068 212 W N 1.352 122.412 121.300 -0.400 0.000 2.294 212 W HA 0.488 5.149 4.660 0.001 0.000 0.314 212 W C -0.513 175.865 176.519 -0.236 0.000 1.044 212 W CA 0.160 57.364 57.345 -0.234 0.000 1.284 212 W CB 1.625 31.042 29.460 -0.071 0.000 1.231 212 W HN 0.038 nan 8.180 nan 0.000 0.419 213 G N 4.373 112.714 108.800 -0.765 0.000 2.352 213 G HA2 0.085 4.045 3.960 0.001 0.000 0.283 213 G HA3 0.085 4.045 3.960 0.001 0.000 0.283 213 G C -1.920 172.466 174.900 -0.857 0.000 1.308 213 G CA -1.085 43.347 45.100 -1.114 0.000 0.892 213 G HN 0.199 nan 8.290 nan 0.000 0.504 214 I N 2.002 122.179 120.570 -0.656 0.000 2.315 214 I HA 0.362 4.533 4.170 0.001 0.000 0.291 214 I C -2.142 173.754 176.117 -0.367 0.000 1.006 214 I CA -2.398 58.645 61.300 -0.430 0.000 1.265 214 I CB 0.865 38.671 38.000 -0.324 0.000 1.387 214 I HN 0.100 nan 8.210 nan 0.000 0.475 215 P HA 0.217 nan 4.420 nan 0.000 0.272 215 P C -0.312 176.714 177.300 -0.456 0.000 1.223 215 P CA -0.432 62.463 63.100 -0.342 0.000 0.784 215 P CB 0.645 32.178 31.700 -0.278 0.000 0.923 216 L N 4.987 125.841 121.223 -0.615 0.000 2.416 216 L HA 0.139 4.480 4.340 0.001 0.000 0.272 216 L C -0.863 175.444 176.870 -0.939 0.000 1.161 216 L CA -1.377 52.834 54.840 -1.047 0.000 0.845 216 L CB 0.465 41.545 42.059 -1.633 0.000 1.119 216 L HN 0.355 nan 8.230 nan 0.000 0.464 217 P HA -0.166 nan 4.420 nan 0.000 0.220 217 P C 0.904 178.000 177.300 -0.341 0.000 1.148 217 P CA 1.454 64.299 63.100 -0.426 0.000 0.803 217 P CB 0.007 31.582 31.700 -0.209 0.000 0.782 218 W N -0.627 120.412 121.300 -0.435 0.000 3.211 218 W HA 0.449 5.109 4.660 0.001 0.000 0.292 218 W C -0.381 175.944 176.519 -0.324 0.000 1.268 218 W CA -0.117 56.972 57.345 -0.426 0.000 1.702 218 W CB -0.317 28.677 29.460 -0.777 0.000 1.092 218 W HN -0.204 nan 8.180 nan 0.000 0.643 219 D N 0.909 120.916 120.400 -0.654 0.000 2.318 219 D HA 0.012 4.653 4.640 0.001 0.000 0.233 219 D C 0.075 176.178 176.300 -0.328 0.000 1.348 219 D CA -0.137 53.648 54.000 -0.359 0.000 0.983 219 D CB 0.793 41.413 40.800 -0.299 0.000 1.416 219 D HN -0.069 nan 8.370 nan 0.000 0.558 220 E N 1.214 121.288 120.200 -0.210 0.000 2.515 220 E HA 0.053 4.403 4.350 0.001 0.000 0.201 220 E C 1.030 177.557 176.600 -0.122 0.000 1.071 220 E CA 0.625 56.914 56.400 -0.184 0.000 0.880 220 E CB -0.048 29.570 29.700 -0.138 0.000 0.828 220 E HN 0.487 nan 8.360 nan 0.000 0.540 221 N N -0.846 117.824 118.700 -0.050 0.000 2.463 221 N HA -0.035 4.706 4.740 0.001 0.000 0.181 221 N C -0.046 175.417 175.510 -0.078 0.000 1.078 221 N CA 0.150 53.188 53.050 -0.019 0.000 0.902 221 N CB 0.263 38.790 38.487 0.068 0.000 0.970 221 N HN 0.151 nan 8.380 nan 0.000 0.451 222 H N -0.135 118.860 119.070 -0.126 0.000 2.621 222 H HA 0.379 4.935 4.556 0.001 0.000 0.360 222 H C -0.824 174.369 175.328 -0.226 0.000 1.163 222 H CA -0.615 55.362 56.048 -0.117 0.000 1.194 222 H CB 2.361 32.099 29.762 -0.040 0.000 1.649 222 H HN -0.247 nan 8.280 nan 0.000 0.532 223 V N 2.333 122.176 119.914 -0.119 0.000 2.495 223 V HA 0.079 4.200 4.120 0.001 0.000 0.298 223 V C 0.258 176.236 176.094 -0.192 0.000 1.031 223 V CA -0.763 61.419 62.300 -0.196 0.000 0.871 223 V CB 1.802 33.508 31.823 -0.194 0.000 0.988 223 V HN 0.822 nan 8.190 nan 0.000 0.432 224 T N 4.692 119.083 114.554 -0.271 0.000 2.871 224 T HA 0.265 4.616 4.350 0.001 0.000 0.296 224 T C 0.628 175.213 174.700 -0.192 0.000 0.998 224 T CA 0.229 62.159 62.100 -0.284 0.000 1.162 224 T CB 0.557 69.240 68.868 -0.309 0.000 0.947 224 T HN 1.005 nan 8.240 nan 0.000 0.536 225 A N 3.488 126.203 122.820 -0.174 0.000 2.565 225 A HA 0.122 4.443 4.320 0.001 0.000 0.237 225 A C 1.812 179.382 177.584 -0.024 0.000 1.053 225 A CA -0.386 51.626 52.037 -0.043 0.000 0.755 225 A CB 0.023 19.067 19.000 0.073 0.000 0.980 225 A HN 0.860 nan 8.150 nan 0.000 0.506 226 V N 3.841 123.804 119.914 0.081 0.000 2.469 226 V HA -0.219 3.902 4.120 0.001 0.000 0.251 226 V C 1.812 177.979 176.094 0.122 0.000 1.064 226 V CA 2.896 65.262 62.300 0.109 0.000 1.066 226 V CB -0.927 31.001 31.823 0.175 0.000 0.667 226 V HN 1.142 nan 8.190 nan 0.000 0.461 227 W N 0.465 121.829 121.300 0.107 0.000 2.333 227 W HA -0.242 4.419 4.660 0.001 0.000 0.316 227 W C 2.034 178.604 176.519 0.085 0.000 1.215 227 W CA 1.997 59.410 57.345 0.114 0.000 1.278 227 W CB -1.341 28.216 29.460 0.162 0.000 1.154 227 W HN 0.327 nan 8.180 nan 0.000 0.486 228 F N 2.096 121.241 119.950 -1.341 0.000 2.102 228 F HA -0.209 4.319 4.527 0.001 0.000 0.298 228 F C 2.600 178.062 175.800 -0.563 0.000 1.105 228 F CA 2.692 59.921 58.000 -1.285 0.000 1.239 228 F CB -0.910 37.255 39.000 -1.392 0.000 0.991 228 F HN 0.006 nan 8.300 nan 0.000 0.474 229 D N 0.541 120.855 120.400 -0.144 0.000 2.103 229 D HA -0.262 4.379 4.640 0.001 0.000 0.190 229 D C 2.219 178.487 176.300 -0.053 0.000 0.997 229 D CA 1.885 55.861 54.000 -0.039 0.000 0.833 229 D CB -0.629 40.197 40.800 0.044 0.000 0.961 229 D HN 0.339 nan 8.370 nan 0.000 0.447 230 A N 1.050 123.794 122.820 -0.126 0.000 1.883 230 A HA -0.144 4.176 4.320 0.001 0.000 0.217 230 A C 2.496 179.785 177.584 -0.490 0.000 1.186 230 A CA 1.414 53.300 52.037 -0.251 0.000 0.624 230 A CB -0.817 18.076 19.000 -0.178 0.000 0.822 230 A HN 0.388 nan 8.150 nan 0.000 0.444 231 L N -0.488 120.389 121.223 -0.576 0.000 2.081 231 L HA -0.158 4.183 4.340 0.001 0.000 0.212 231 L C 2.233 178.379 176.870 -1.207 0.000 1.080 231 L CA 1.301 55.531 54.840 -1.017 0.000 0.754 231 L CB -1.297 40.248 42.059 -0.857 0.000 0.893 231 L HN 0.308 nan 8.230 nan 0.000 0.433 232 L N 0.578 121.393 121.223 -0.680 0.000 2.549 232 L HA -0.152 4.189 4.340 0.001 0.000 0.229 232 L C 2.193 178.954 176.870 -0.181 0.000 1.158 232 L CA 1.200 55.825 54.840 -0.359 0.000 0.842 232 L CB -1.688 40.204 42.059 -0.279 0.000 0.952 232 L HN 0.551 nan 8.230 nan 0.000 0.452 233 N N -0.609 117.907 118.700 -0.308 0.000 2.205 233 N HA -0.286 4.455 4.740 0.001 0.000 0.186 233 N C 1.849 177.328 175.510 -0.051 0.000 1.015 233 N CA 1.473 54.383 53.050 -0.234 0.000 0.862 233 N CB -0.708 37.473 38.487 -0.510 0.000 0.986 233 N HN 0.397 nan 8.380 nan 0.000 0.429 234 Y N -0.253 120.058 120.300 0.019 0.000 2.384 234 Y HA -0.135 4.416 4.550 0.001 0.000 0.289 234 Y C 2.167 178.325 175.900 0.430 0.000 1.152 234 Y CA 0.747 59.043 58.100 0.326 0.000 1.258 234 Y CB 0.139 38.885 38.460 0.477 0.000 0.979 234 Y HN 0.216 nan 8.280 nan 0.000 0.549 235 V N -4.563 115.536 119.914 0.307 0.000 3.455 235 V HA -0.003 4.118 4.120 0.001 0.000 0.250 235 V C 1.949 178.131 176.094 0.148 0.000 1.230 235 V CA 0.695 63.081 62.300 0.143 0.000 1.105 235 V CB -0.089 31.581 31.823 -0.255 0.000 0.850 235 V HN 0.283 nan 8.190 nan 0.000 0.461 236 S N 2.093 117.869 115.700 0.125 0.000 2.423 236 S HA 0.100 4.571 4.470 0.001 0.000 0.231 236 S C 1.978 176.668 174.600 0.150 0.000 1.014 236 S CA 1.224 59.502 58.200 0.131 0.000 0.965 236 S CB -0.478 62.833 63.200 0.186 0.000 0.785 236 S HN 1.039 nan 8.310 nan 0.000 0.495 237 A N 1.111 124.041 122.820 0.185 0.000 2.168 237 A HA 0.373 4.694 4.320 0.001 0.000 0.215 237 A C 1.930 179.600 177.584 0.143 0.000 1.152 237 A CA 0.613 52.768 52.037 0.198 0.000 0.716 237 A CB -0.533 18.640 19.000 0.289 0.000 0.794 237 A HN 0.588 nan 8.150 nan 0.000 0.465 238 L N -1.181 120.121 121.223 0.132 0.000 2.640 238 L HA 0.131 4.472 4.340 0.001 0.000 0.230 238 L C -0.247 176.693 176.870 0.115 0.000 1.123 238 L CA -0.053 54.827 54.840 0.065 0.000 0.900 238 L CB -0.153 42.018 42.059 0.187 0.000 1.146 238 L HN 0.270 nan 8.230 nan 0.000 0.484 239 D N -0.212 120.249 120.400 0.103 0.000 2.772 239 D HA -0.299 4.341 4.640 0.001 0.000 0.233 239 D C 0.974 177.288 176.300 0.024 0.000 1.143 239 D CA 0.982 55.018 54.000 0.059 0.000 0.700 239 D CB -0.781 40.042 40.800 0.038 0.000 1.076 239 D HN 0.415 nan 8.370 nan 0.000 0.430 240 Y N -0.021 120.210 120.300 -0.115 0.000 2.120 240 Y HA -0.372 4.178 4.550 0.001 0.000 0.200 240 Y C -1.166 174.412 175.900 -0.537 0.000 1.255 240 Y CA 3.069 60.898 58.100 -0.452 0.000 0.923 240 Y CB -2.190 35.959 38.460 -0.518 0.000 0.722 240 Y HN 0.241 nan 8.280 nan 0.000 0.561 241 P HA -0.223 nan 4.420 nan 0.000 0.203 241 P C 1.530 178.562 177.300 -0.446 0.000 1.002 241 P CA 2.834 65.329 63.100 -1.008 0.000 0.964 241 P CB -0.352 30.989 31.700 -0.598 0.000 0.727 242 E N 0.107 120.164 120.200 -0.239 0.000 2.442 242 E HA 0.048 4.398 4.350 0.001 0.000 0.195 242 E C 1.112 177.698 176.600 -0.024 0.000 1.030 242 E CA 0.377 56.716 56.400 -0.102 0.000 0.869 242 E CB -1.195 28.457 29.700 -0.080 0.000 0.857 242 E HN 0.149 nan 8.360 nan 0.000 0.505 243 G N 2.092 110.888 108.800 -0.007 0.000 2.321 243 G HA2 -0.099 3.861 3.960 0.001 0.000 0.237 243 G HA3 -0.099 3.861 3.960 0.001 0.000 0.237 243 G C 0.494 175.450 174.900 0.093 0.000 1.282 243 G CA 0.062 45.193 45.100 0.052 0.000 0.886 243 G HN 0.122 nan 8.290 nan 0.000 0.528 244 E N 1.932 122.167 120.200 0.057 0.000 2.208 244 E HA 0.002 4.353 4.350 0.001 0.000 0.193 244 E C 2.531 179.146 176.600 0.026 0.000 0.988 244 E CA 1.413 57.835 56.400 0.036 0.000 0.828 244 E CB -0.169 29.541 29.700 0.016 0.000 0.763 244 E HN 0.502 nan 8.360 nan 0.000 0.478 245 A N -0.105 122.751 122.820 0.059 0.000 1.902 245 A HA -0.195 4.125 4.320 0.001 0.000 0.217 245 A C 2.172 179.827 177.584 0.117 0.000 1.181 245 A CA 1.574 53.661 52.037 0.084 0.000 0.623 245 A CB -1.010 17.973 19.000 -0.029 0.000 0.818 245 A HN 0.521 nan 8.150 nan 0.000 0.443 246 Y N 0.545 120.876 120.300 0.052 0.000 2.145 246 Y HA -0.219 4.332 4.550 0.001 0.000 0.286 246 Y C 2.487 178.483 175.900 0.161 0.000 1.145 246 Y CA 2.186 60.370 58.100 0.139 0.000 1.148 246 Y CB -0.419 38.127 38.460 0.143 0.000 0.981 246 Y HN 0.327 nan 8.280 nan 0.000 0.507 247 R N -0.620 119.843 120.500 -0.062 0.000 2.096 247 R HA -0.133 4.208 4.340 0.001 0.000 0.235 247 R C 1.892 178.088 176.300 -0.174 0.000 1.127 247 R CA 2.027 58.037 56.100 -0.149 0.000 0.968 247 R CB -0.450 29.837 30.300 -0.023 0.000 0.861 247 R HN 0.354 nan 8.270 nan 0.000 0.440 248 T N 0.037 114.459 114.554 -0.220 0.000 2.698 248 T HA -0.041 4.310 4.350 0.001 0.000 0.260 248 T C 1.349 175.800 174.700 -0.413 0.000 1.044 248 T CA 1.578 63.431 62.100 -0.412 0.000 1.149 248 T CB -0.204 68.200 68.868 -0.774 0.000 0.864 248 T HN 0.217 nan 8.240 nan 0.000 0.419 249 F N -0.560 119.359 119.950 -0.052 0.000 2.530 249 F HA 0.243 4.771 4.527 0.001 0.000 0.292 249 F C 2.233 178.075 175.800 0.068 0.000 1.109 249 F CA -0.363 57.608 58.000 -0.048 0.000 1.450 249 F CB -0.230 38.489 39.000 -0.470 0.000 1.114 249 F HN 0.230 nan 8.300 nan 0.000 0.560 250 W N 3.485 124.778 121.300 -0.010 0.000 2.342 250 W HA -0.125 4.536 4.660 0.001 0.000 0.297 250 W C -1.197 175.355 176.519 0.055 0.000 1.213 250 W CA 1.219 58.605 57.345 0.068 0.000 1.251 250 W CB -1.260 28.079 29.460 -0.203 0.000 1.136 250 W HN -0.002 nan 8.180 nan 0.000 0.526 251 P HA -0.110 nan 4.420 nan 0.000 0.231 251 P C -0.266 176.690 177.300 -0.573 0.000 1.158 251 P CA 1.667 64.504 63.100 -0.438 0.000 0.763 251 P CB -0.229 31.205 31.700 -0.444 0.000 0.805 252 H N -2.244 116.799 119.070 -0.044 0.000 2.567 252 H HA 0.455 5.012 4.556 0.001 0.000 0.267 252 H C 0.367 175.734 175.328 0.066 0.000 1.148 252 H CA -0.565 55.524 56.048 0.067 0.000 1.031 252 H CB -0.043 29.793 29.762 0.122 0.000 1.691 252 H HN -0.038 nan 8.280 nan 0.000 0.588 253 A N 0.774 123.554 122.820 -0.066 0.000 2.548 253 A HA 0.113 4.433 4.320 0.001 0.000 0.247 253 A C -0.924 176.541 177.584 -0.197 0.000 1.067 253 A CA 0.174 52.052 52.037 -0.265 0.000 0.757 253 A CB -0.098 18.394 19.000 -0.847 0.000 0.996 253 A HN 0.416 nan 8.150 nan 0.000 0.504 254 W N 1.412 122.310 121.300 -0.669 0.000 2.538 254 W HA 0.471 5.132 4.660 0.001 0.000 0.322 254 W C -0.198 175.949 176.519 -0.620 0.000 1.028 254 W CA -0.358 56.679 57.345 -0.513 0.000 1.228 254 W CB 0.921 30.124 29.460 -0.430 0.000 1.356 254 W HN 0.747 nan 8.180 nan 0.000 0.452 255 H N 3.101 122.022 119.070 -0.249 0.000 2.459 255 H HA 0.500 5.057 4.556 0.001 0.000 0.332 255 H C -0.218 174.963 175.328 -0.245 0.000 1.094 255 H CA -0.809 55.008 56.048 -0.387 0.000 1.224 255 H CB 1.567 30.994 29.762 -0.559 0.000 1.449 255 H HN 0.032 nan 8.280 nan 0.000 0.484 256 L N 5.651 126.835 121.223 -0.065 0.000 2.307 256 L HA 0.443 4.783 4.340 0.001 0.000 0.284 256 L C -0.378 176.462 176.870 -0.049 0.000 1.023 256 L CA -0.771 54.060 54.840 -0.015 0.000 0.810 256 L CB 1.305 43.364 42.059 0.000 0.000 1.231 256 L HN 0.620 nan 8.230 nan 0.000 0.423 257 I N 0.165 120.715 120.570 -0.033 0.000 3.195 257 I HA 0.701 4.872 4.170 0.001 0.000 0.313 257 I C -0.306 175.796 176.117 -0.025 0.000 1.237 257 I CA -0.688 60.557 61.300 -0.092 0.000 0.963 257 I CB 1.532 39.310 38.000 -0.370 0.000 1.278 257 I HN 0.476 nan 8.210 nan 0.000 0.460 258 G N 1.541 110.348 108.800 0.012 0.000 2.425 258 G HA2 0.382 4.343 3.960 0.001 0.000 0.302 258 G HA3 0.382 4.343 3.960 0.001 0.000 0.302 258 G C 0.549 175.383 174.900 -0.110 0.000 1.159 258 G CA -0.207 44.889 45.100 -0.005 0.000 0.865 258 G HN 0.996 nan 8.290 nan 0.000 0.515 259 K N -0.084 120.166 120.400 -0.249 0.000 2.281 259 K HA -0.161 4.160 4.320 0.001 0.000 0.203 259 K C 1.234 177.790 176.600 -0.073 0.000 1.046 259 K CA 1.874 57.992 56.287 -0.281 0.000 0.938 259 K CB -0.089 32.191 32.500 -0.367 0.000 0.737 259 K HN 0.543 nan 8.250 nan 0.000 0.458 260 D N 2.220 122.651 120.400 0.053 0.000 2.228 260 D HA -0.196 4.445 4.640 0.001 0.000 0.203 260 D C 1.690 178.066 176.300 0.127 0.000 0.988 260 D CA 1.403 55.504 54.000 0.168 0.000 0.864 260 D CB -0.338 40.616 40.800 0.257 0.000 0.928 260 D HN 0.694 nan 8.370 nan 0.000 0.469 261 I N -2.183 118.447 120.570 0.100 0.000 3.654 261 I HA 0.230 4.401 4.170 0.001 0.000 0.337 261 I C 1.349 177.546 176.117 0.132 0.000 1.568 261 I CA -0.581 60.804 61.300 0.142 0.000 1.115 261 I CB 0.442 38.576 38.000 0.224 0.000 1.300 261 I HN -0.224 nan 8.210 nan 0.000 0.471 262 L N 1.831 123.079 121.223 0.042 0.000 1.994 262 L HA -0.148 4.193 4.340 0.001 0.000 0.208 262 L C 2.492 179.381 176.870 0.031 0.000 1.071 262 L CA 2.112 56.968 54.840 0.028 0.000 0.745 262 L CB -0.509 41.556 42.059 0.009 0.000 0.892 262 L HN 0.473 nan 8.230 nan 0.000 0.431 263 K N -0.661 119.704 120.400 -0.059 0.000 2.032 263 K HA -0.151 4.170 4.320 0.001 0.000 0.209 263 K C -0.485 175.816 176.600 -0.499 0.000 1.048 263 K CA 1.901 58.043 56.287 -0.242 0.000 0.927 263 K CB -1.075 31.239 32.500 -0.310 0.000 0.712 263 K HN 0.281 nan 8.250 nan 0.000 0.441 264 P HA -0.103 nan 4.420 nan 0.000 0.218 264 P C 0.349 177.630 177.300 -0.033 0.000 1.149 264 P CA 1.374 64.237 63.100 -0.394 0.000 0.817 264 P CB 0.061 31.747 31.700 -0.024 0.000 0.785 265 H N -1.759 117.358 119.070 0.079 0.000 2.465 265 H HA 0.267 4.823 4.556 0.001 0.000 0.289 265 H C 1.822 177.370 175.328 0.367 0.000 1.022 265 H CA 1.169 57.355 56.048 0.230 0.000 1.340 265 H CB -0.321 29.487 29.762 0.075 0.000 1.437 265 H HN 0.029 nan 8.280 nan 0.000 0.539 266 A N -0.133 122.884 122.820 0.328 0.000 2.147 266 A HA 0.176 4.497 4.320 0.001 0.000 0.211 266 A C 1.664 179.399 177.584 0.252 0.000 1.160 266 A CA 0.631 52.856 52.037 0.313 0.000 0.781 266 A CB 0.270 19.391 19.000 0.203 0.000 0.842 266 A HN 0.209 nan 8.150 nan 0.000 0.475 267 V N -2.074 117.957 119.914 0.195 0.000 3.134 267 V HA 0.090 4.211 4.120 0.001 0.000 0.222 267 V C 1.978 178.358 176.094 0.476 0.000 1.247 267 V CA 0.551 62.998 62.300 0.245 0.000 1.281 267 V CB -1.008 30.890 31.823 0.124 0.000 1.169 267 V HN 0.547 nan 8.190 nan 0.000 0.512 268 F N -0.325 119.812 119.950 0.311 0.000 2.046 268 F HA -0.275 4.252 4.527 0.001 0.000 0.297 268 F C 2.477 178.593 175.800 0.527 0.000 1.123 268 F CA 2.141 60.384 58.000 0.405 0.000 1.199 268 F CB -0.366 38.834 39.000 0.334 0.000 0.972 268 F HN 0.295 nan 8.300 nan 0.000 0.474 269 W N 2.858 124.425 121.300 0.445 0.000 2.317 269 W HA -0.184 4.477 4.660 0.002 0.000 0.318 269 W C -1.099 175.619 176.519 0.332 0.000 1.227 269 W CA 1.257 58.791 57.345 0.316 0.000 1.269 269 W CB -1.464 28.164 29.460 0.279 0.000 1.155 269 W HN -0.043 nan 8.180 nan 0.000 0.484 270 P HA -0.213 nan 4.420 nan 0.000 0.215 270 P C 1.777 179.214 177.300 0.228 0.000 1.153 270 P CA 3.439 66.648 63.100 0.181 0.000 0.853 270 P CB -0.538 31.296 31.700 0.222 0.000 0.788 271 T N -4.032 110.733 114.554 0.351 0.000 2.867 271 T HA -0.114 4.236 4.350 0.001 0.000 0.268 271 T C 1.821 176.521 174.700 -0.001 0.000 1.057 271 T CA 1.157 63.394 62.100 0.228 0.000 1.136 271 T CB -1.078 68.094 68.868 0.507 0.000 0.874 271 T HN -0.018 nan 8.240 nan 0.000 0.466 272 M N 0.579 120.240 119.600 0.102 0.000 2.132 272 M HA 0.120 4.601 4.480 0.001 0.000 0.263 272 M C 2.356 178.481 176.300 -0.291 0.000 1.065 272 M CA 1.515 56.754 55.300 -0.103 0.000 1.122 272 M CB -0.565 32.010 32.600 -0.043 0.000 1.365 272 M HN 0.214 nan 8.290 nan 0.000 0.411 273 L N -0.246 120.732 121.223 -0.408 0.000 2.017 273 L HA -0.234 4.106 4.340 0.001 0.000 0.208 273 L C 2.587 179.211 176.870 -0.410 0.000 1.073 273 L CA 1.174 55.722 54.840 -0.487 0.000 0.745 273 L CB -0.723 41.018 42.059 -0.531 0.000 0.894 273 L HN 0.203 nan 8.230 nan 0.000 0.432 274 K N 0.631 120.715 120.400 -0.527 0.000 2.032 274 K HA -0.158 4.163 4.320 0.001 0.000 0.209 274 K C 2.040 178.305 176.600 -0.557 0.000 1.048 274 K CA 1.733 57.579 56.287 -0.734 0.000 0.927 274 K CB -0.483 31.216 32.500 -1.335 0.000 0.712 274 K HN 0.237 nan 8.250 nan 0.000 0.441 275 A N 0.200 122.630 122.820 -0.650 0.000 1.940 275 A HA -0.050 4.271 4.320 0.001 0.000 0.219 275 A C 2.219 179.731 177.584 -0.119 0.000 1.176 275 A CA 2.027 53.872 52.037 -0.320 0.000 0.631 275 A CB -0.850 18.091 19.000 -0.097 0.000 0.814 275 A HN 0.423 nan 8.150 nan 0.000 0.446 276 A N -1.928 120.787 122.820 -0.175 0.000 2.251 276 A HA 0.422 4.743 4.320 0.001 0.000 0.209 276 A C 1.700 179.226 177.584 -0.097 0.000 1.187 276 A CA 1.138 53.104 52.037 -0.117 0.000 0.823 276 A CB -0.871 18.018 19.000 -0.184 0.000 0.846 276 A HN 1.928 nan 8.150 nan 0.000 0.486 277 G N -0.611 108.110 108.800 -0.131 0.000 2.182 277 G HA2 -0.211 3.749 3.960 0.001 0.000 0.248 277 G HA3 -0.211 3.749 3.960 0.001 0.000 0.248 277 G C -0.055 174.820 174.900 -0.042 0.000 1.042 277 G CA 0.360 45.414 45.100 -0.076 0.000 0.775 277 G HN 0.474 nan 8.290 nan 0.000 0.501 278 I N 0.690 121.190 120.570 -0.118 0.000 2.377 278 I HA 0.321 4.492 4.170 0.001 0.000 0.293 278 I C -1.825 174.323 176.117 0.051 0.000 0.987 278 I CA -2.629 58.635 61.300 -0.059 0.000 1.185 278 I CB 1.778 39.578 38.000 -0.333 0.000 1.341 278 I HN -0.137 nan 8.210 nan 0.000 0.455 279 P HA 0.034 nan 4.420 nan 0.000 0.268 279 P C -0.173 177.310 177.300 0.305 0.000 1.208 279 P CA -0.161 63.095 63.100 0.261 0.000 0.777 279 P CB 0.402 32.281 31.700 0.299 0.000 0.875 280 M N 1.906 121.531 119.600 0.042 0.000 2.232 280 M HA 0.110 4.590 4.480 0.001 0.000 0.321 280 M C 0.276 176.488 176.300 -0.147 0.000 1.101 280 M CA -0.011 55.196 55.300 -0.154 0.000 1.181 280 M CB -0.239 32.098 32.600 -0.439 0.000 1.432 280 M HN 0.363 nan 8.290 nan 0.000 0.457 281 Y N 0.454 120.719 120.300 -0.059 0.000 2.281 281 Y HA 0.355 4.906 4.550 0.001 0.000 0.337 281 Y C 1.029 176.770 175.900 -0.266 0.000 1.304 281 Y CA -0.869 57.018 58.100 -0.354 0.000 1.465 281 Y CB -0.034 38.273 38.460 -0.253 0.000 1.350 281 Y HN 0.479 nan 8.280 nan 0.000 0.575 282 R N -0.192 120.253 120.500 -0.092 0.000 2.080 282 R HA 0.118 4.458 4.340 0.001 0.000 0.222 282 R C -0.465 175.558 176.300 -0.462 0.000 1.107 282 R CA 0.606 56.578 56.100 -0.214 0.000 0.980 282 R CB -0.922 29.343 30.300 -0.058 0.000 0.879 282 R HN 0.894 nan 8.270 nan 0.000 0.439 283 H N -1.699 117.326 119.070 -0.075 0.000 2.974 283 H HA 0.415 4.971 4.556 0.001 0.000 0.366 283 H C -1.562 173.655 175.328 -0.186 0.000 1.155 283 H CA -0.857 55.069 56.048 -0.204 0.000 1.186 283 H CB 2.072 31.387 29.762 -0.745 0.000 1.799 283 H HN -0.127 nan 8.280 nan 0.000 0.541 284 L N 2.986 124.252 121.223 0.072 0.000 2.298 284 L HA 0.457 4.798 4.340 0.001 0.000 0.284 284 L C -1.008 175.852 176.870 -0.017 0.000 1.013 284 L CA -0.411 54.403 54.840 -0.043 0.000 0.824 284 L CB 0.800 42.905 42.059 0.078 0.000 1.221 284 L HN 0.609 nan 8.230 nan 0.000 0.418 285 N N 5.249 123.926 118.700 -0.039 0.000 2.511 285 N HA 0.297 5.037 4.740 0.001 0.000 0.249 285 N C -1.134 174.469 175.510 0.155 0.000 0.971 285 N CA -0.400 52.677 53.050 0.045 0.000 0.938 285 N CB 2.166 40.639 38.487 -0.023 0.000 1.131 285 N HN 0.349 nan 8.380 nan 0.000 0.505 286 V N 1.319 121.254 119.914 0.035 0.000 2.385 286 V HA 0.420 4.540 4.120 0.001 0.000 0.269 286 V C 1.172 176.982 176.094 -0.474 0.000 1.043 286 V CA -0.713 61.401 62.300 -0.310 0.000 0.906 286 V CB 0.895 32.197 31.823 -0.869 0.000 0.995 286 V HN 0.634 nan 8.190 nan 0.000 0.467 287 G N 3.120 111.609 108.800 -0.518 0.000 2.477 287 G HA2 0.634 4.595 3.960 0.001 0.000 0.304 287 G HA3 0.634 4.595 3.960 0.001 0.000 0.304 287 G C 0.225 174.832 174.900 -0.489 0.000 1.175 287 G CA 0.013 44.608 45.100 -0.841 0.000 0.907 287 G HN 0.969 nan 8.290 nan 0.000 0.509 288 G N -1.312 107.258 108.800 -0.383 0.000 2.642 288 G HA2 0.582 4.543 3.960 0.001 0.000 0.291 288 G HA3 0.582 4.543 3.960 0.001 0.000 0.291 288 G C -0.682 174.096 174.900 -0.204 0.000 1.345 288 G CA -1.080 43.836 45.100 -0.307 0.000 1.043 288 G HN 0.467 nan 8.290 nan 0.000 0.528 289 F N -0.258 119.626 119.950 -0.109 0.000 2.399 289 F HA 0.334 4.862 4.527 0.001 0.000 0.342 289 F C 0.634 176.324 175.800 -0.184 0.000 1.106 289 F CA -0.599 57.329 58.000 -0.121 0.000 1.196 289 F CB 1.218 40.169 39.000 -0.081 0.000 1.163 289 F HN -0.186 nan 8.300 nan 0.000 0.547 290 L N 5.441 126.672 121.223 0.013 0.000 2.270 290 L HA 0.332 4.673 4.340 0.001 0.000 0.286 290 L C -0.238 176.591 176.870 -0.069 0.000 1.059 290 L CA -0.394 54.374 54.840 -0.119 0.000 0.839 290 L CB 0.478 42.429 42.059 -0.180 0.000 1.221 290 L HN 0.497 nan 8.230 nan 0.000 0.431 291 L N 2.164 123.356 121.223 -0.052 0.000 2.453 291 L HA 0.397 4.737 4.340 0.001 0.000 0.261 291 L C 1.268 178.108 176.870 -0.051 0.000 1.179 291 L CA -0.297 54.513 54.840 -0.050 0.000 0.813 291 L CB 0.566 42.609 42.059 -0.026 0.000 1.110 291 L HN 0.554 nan 8.230 nan 0.000 0.466 292 G N 0.741 109.509 108.800 -0.054 0.000 2.653 292 G HA2 0.183 4.144 3.960 0.001 0.000 0.265 292 G HA3 0.183 4.144 3.960 0.001 0.000 0.265 292 G C -1.916 172.969 174.900 -0.025 0.000 1.237 292 G CA -0.832 44.244 45.100 -0.040 0.000 0.946 292 G HN 0.476 nan 8.290 nan 0.000 0.522 293 P HA -0.112 nan 4.420 nan 0.000 0.216 293 P C 1.288 178.580 177.300 -0.013 0.000 1.153 293 P CA 1.630 64.724 63.100 -0.011 0.000 0.858 293 P CB 0.091 31.785 31.700 -0.010 0.000 0.789 294 D N -1.807 118.583 120.400 -0.017 0.000 2.378 294 D HA 0.011 4.652 4.640 0.001 0.000 0.227 294 D C 1.437 177.727 176.300 -0.017 0.000 1.012 294 D CA 0.967 54.957 54.000 -0.016 0.000 0.905 294 D CB -1.105 39.684 40.800 -0.018 0.000 0.895 294 D HN 0.275 nan 8.370 nan 0.000 0.532 295 G N -0.052 108.736 108.800 -0.020 0.000 2.176 295 G HA2 -0.294 3.666 3.960 0.001 0.000 0.253 295 G HA3 -0.294 3.666 3.960 0.001 0.000 0.253 295 G C 0.276 175.164 174.900 -0.020 0.000 0.979 295 G CA -0.011 45.078 45.100 -0.018 0.000 0.641 295 G HN 0.474 nan 8.290 nan 0.000 0.530 296 R N 0.237 120.720 120.500 -0.029 0.000 2.643 296 R HA 0.509 4.850 4.340 0.001 0.000 0.272 296 R C 0.280 176.542 176.300 -0.065 0.000 0.995 296 R CA -0.867 55.210 56.100 -0.038 0.000 1.032 296 R CB 1.026 31.303 30.300 -0.039 0.000 1.126 296 R HN 0.151 nan 8.270 nan 0.000 0.505 297 K N 1.650 121.993 120.400 -0.094 0.000 2.489 297 K HA -0.013 4.308 4.320 0.001 0.000 0.278 297 K C 0.286 176.789 176.600 -0.161 0.000 1.000 297 K CA 0.485 56.665 56.287 -0.178 0.000 1.012 297 K CB 0.407 32.741 32.500 -0.278 0.000 0.903 297 K HN 0.322 nan 8.250 nan 0.000 0.485 298 M N 1.968 121.459 119.600 -0.181 0.000 2.252 298 M HA -0.025 4.456 4.480 0.001 0.000 0.348 298 M C 0.081 176.290 176.300 -0.151 0.000 1.334 298 M CA 0.918 56.130 55.300 -0.148 0.000 1.071 298 M CB 0.680 33.188 32.600 -0.153 0.000 1.763 298 M HN 0.544 nan 8.290 nan 0.000 0.452 299 S N 1.732 117.368 115.700 -0.106 0.000 2.542 299 S HA 0.212 4.683 4.470 0.001 0.000 0.276 299 S C 0.266 174.830 174.600 -0.059 0.000 1.148 299 S CA -0.877 57.269 58.200 -0.089 0.000 0.886 299 S CB 1.434 64.582 63.200 -0.086 0.000 1.109 299 S HN 0.829 nan 8.310 nan 0.000 0.458 300 K N 1.991 122.362 120.400 -0.047 0.000 2.103 300 K HA -0.110 4.211 4.320 0.001 0.000 0.207 300 K C 1.895 178.479 176.600 -0.027 0.000 1.048 300 K CA 2.668 58.937 56.287 -0.030 0.000 0.930 300 K CB -1.011 31.477 32.500 -0.020 0.000 0.716 300 K HN 0.835 nan 8.250 nan 0.000 0.444 301 T N -0.745 113.791 114.554 -0.030 0.000 2.881 301 T HA -0.074 4.277 4.350 0.001 0.000 0.270 301 T C 2.025 176.709 174.700 -0.026 0.000 1.068 301 T CA 0.983 63.068 62.100 -0.026 0.000 1.131 301 T CB -0.132 68.719 68.868 -0.027 0.000 0.871 301 T HN 0.243 nan 8.240 nan 0.000 0.479 302 L N 0.290 121.494 121.223 -0.032 0.000 2.529 302 L HA 0.339 4.680 4.340 0.001 0.000 0.223 302 L C 1.983 178.838 176.870 -0.026 0.000 1.113 302 L CA 0.358 55.180 54.840 -0.031 0.000 0.861 302 L CB -0.726 41.309 42.059 -0.039 0.000 1.012 302 L HN 0.567 nan 8.230 nan 0.000 0.461 303 G N 2.419 111.204 108.800 -0.025 0.000 2.305 303 G HA2 -0.308 3.653 3.960 0.001 0.000 0.287 303 G HA3 -0.308 3.653 3.960 0.001 0.000 0.287 303 G C 0.266 175.154 174.900 -0.019 0.000 1.036 303 G CA 0.687 45.776 45.100 -0.019 0.000 0.887 303 G HN 0.642 nan 8.290 nan 0.000 0.505 304 N N -1.249 117.434 118.700 -0.028 0.000 2.365 304 N HA 0.210 4.951 4.740 0.001 0.000 0.257 304 N C 0.040 175.529 175.510 -0.034 0.000 1.287 304 N CA -0.099 52.934 53.050 -0.029 0.000 0.882 304 N CB 0.552 39.018 38.487 -0.035 0.000 1.250 304 N HN 0.216 nan 8.380 nan 0.000 0.507 305 V N 1.032 120.928 119.914 -0.030 0.000 2.555 305 V HA 0.248 4.369 4.120 0.001 0.000 0.286 305 V C 0.157 176.245 176.094 -0.010 0.000 1.044 305 V CA -0.560 61.721 62.300 -0.031 0.000 1.026 305 V CB 1.530 33.339 31.823 -0.024 0.000 0.981 305 V HN 0.044 nan 8.190 nan 0.000 0.480 306 V N 4.122 124.031 119.914 -0.008 0.000 2.357 306 V HA 0.299 4.419 4.120 0.001 0.000 0.284 306 V C -0.081 176.028 176.094 0.025 0.000 1.018 306 V CA -0.671 61.635 62.300 0.009 0.000 0.841 306 V CB 1.650 33.478 31.823 0.008 0.000 0.991 306 V HN 0.881 nan 8.190 nan 0.000 0.437 307 D N 7.990 128.415 120.400 0.043 0.000 2.325 307 D HA 0.215 4.855 4.640 0.001 0.000 0.251 307 D C -1.182 175.134 176.300 0.026 0.000 1.196 307 D CA -1.881 52.162 54.000 0.071 0.000 0.866 307 D CB 2.237 43.103 40.800 0.110 0.000 1.101 307 D HN 0.252 nan 8.370 nan 0.000 0.476 308 P HA -0.118 nan 4.420 nan 0.000 0.219 308 P C 1.360 178.494 177.300 -0.277 0.000 1.150 308 P CA 0.862 63.831 63.100 -0.220 0.000 0.814 308 P CB 0.009 31.476 31.700 -0.388 0.000 0.787 309 F N 0.518 120.526 119.950 0.096 0.000 2.367 309 F HA 0.088 4.616 4.527 0.001 0.000 0.298 309 F C 2.694 178.533 175.800 0.066 0.000 1.094 309 F CA 0.760 58.806 58.000 0.077 0.000 1.409 309 F CB -1.097 37.929 39.000 0.043 0.000 1.064 309 F HN -0.060 nan 8.300 nan 0.000 0.528 310 A N 0.230 123.162 122.820 0.185 0.000 1.872 310 A HA -0.077 4.243 4.320 0.001 0.000 0.214 310 A C 2.023 179.678 177.584 0.119 0.000 1.187 310 A CA 1.250 53.365 52.037 0.129 0.000 0.614 310 A CB -0.835 18.225 19.000 0.100 0.000 0.826 310 A HN 0.214 nan 8.150 nan 0.000 0.442 311 L N -0.534 120.754 121.223 0.110 0.000 2.017 311 L HA -0.131 4.210 4.340 0.001 0.000 0.208 311 L C 2.481 179.458 176.870 0.178 0.000 1.073 311 L CA 1.787 56.715 54.840 0.147 0.000 0.745 311 L CB -1.037 41.057 42.059 0.058 0.000 0.894 311 L HN 0.517 nan 8.230 nan 0.000 0.432 312 L N -0.772 120.526 121.223 0.126 0.000 2.083 312 L HA -0.243 4.097 4.340 0.001 0.000 0.209 312 L C 2.589 179.535 176.870 0.126 0.000 1.083 312 L CA 1.483 56.407 54.840 0.139 0.000 0.752 312 L CB -0.242 41.904 42.059 0.145 0.000 0.899 312 L HN 0.401 nan 8.230 nan 0.000 0.433 313 E N -0.129 120.141 120.200 0.117 0.000 2.077 313 E HA -0.271 4.079 4.350 0.001 0.000 0.193 313 E C 2.066 178.669 176.600 0.004 0.000 0.989 313 E CA 1.576 58.019 56.400 0.071 0.000 0.800 313 E CB 0.086 29.830 29.700 0.072 0.000 0.746 313 E HN 0.556 nan 8.360 nan 0.000 0.452 314 K N -0.814 119.575 120.400 -0.019 0.000 2.044 314 K HA -0.096 4.224 4.320 0.001 0.000 0.204 314 K C 1.767 178.121 176.600 -0.410 0.000 1.049 314 K CA 1.301 57.457 56.287 -0.220 0.000 0.945 314 K CB -0.055 32.287 32.500 -0.262 0.000 0.724 314 K HN 0.189 nan 8.250 nan 0.000 0.440 315 Y N -0.011 120.216 120.300 -0.120 0.000 2.458 315 Y HA 0.262 4.812 4.550 0.001 0.000 0.254 315 Y C 0.790 176.606 175.900 -0.139 0.000 1.120 315 Y CA 0.168 58.122 58.100 -0.243 0.000 1.282 315 Y CB 0.985 39.245 38.460 -0.333 0.000 1.109 315 Y HN 0.184 nan 8.280 nan 0.000 0.526 316 G N 0.739 109.598 108.800 0.098 0.000 2.675 316 G HA2 -0.218 3.743 3.960 0.001 0.000 0.686 316 G HA3 -0.218 3.743 3.960 0.001 0.000 0.686 316 G C 0.481 175.484 174.900 0.173 0.000 1.215 316 G CA -0.203 44.972 45.100 0.125 0.000 0.777 316 G HN 0.265 nan 8.290 nan 0.000 0.638 317 R N 0.675 121.277 120.500 0.170 0.000 2.097 317 R HA -0.178 4.163 4.340 0.001 0.000 0.236 317 R C 1.987 178.421 176.300 0.223 0.000 1.135 317 R CA 2.887 59.100 56.100 0.187 0.000 0.934 317 R CB -0.613 29.791 30.300 0.173 0.000 0.846 317 R HN 0.677 nan 8.270 nan 0.000 0.431 318 D N 0.364 120.912 120.400 0.247 0.000 2.123 318 D HA -0.150 4.490 4.640 0.001 0.000 0.196 318 D C 1.900 178.425 176.300 0.375 0.000 0.992 318 D CA 1.805 55.990 54.000 0.309 0.000 0.833 318 D CB -0.128 40.875 40.800 0.338 0.000 0.954 318 D HN 0.490 nan 8.370 nan 0.000 0.455 319 A N 0.345 123.399 122.820 0.390 0.000 1.902 319 A HA -0.116 4.205 4.320 0.001 0.000 0.217 319 A C 2.029 179.819 177.584 0.342 0.000 1.181 319 A CA 0.930 53.217 52.037 0.417 0.000 0.623 319 A CB -0.671 18.531 19.000 0.338 0.000 0.818 319 A HN 0.241 nan 8.150 nan 0.000 0.443 320 L N -0.181 121.199 121.223 0.261 0.000 2.005 320 L HA -0.084 4.256 4.340 0.001 0.000 0.207 320 L C 2.441 179.473 176.870 0.270 0.000 1.072 320 L CA 1.937 56.923 54.840 0.244 0.000 0.744 320 L CB -0.663 41.503 42.059 0.179 0.000 0.895 320 L HN 0.345 nan 8.230 nan 0.000 0.433 321 R N -1.627 119.019 120.500 0.243 0.000 2.094 321 R HA -0.263 4.078 4.340 0.001 0.000 0.239 321 R C 2.313 178.728 176.300 0.190 0.000 1.137 321 R CA 2.142 58.363 56.100 0.201 0.000 0.943 321 R CB -1.029 29.399 30.300 0.213 0.000 0.850 321 R HN 0.472 nan 8.270 nan 0.000 0.433 322 Y N 0.464 120.862 120.300 0.163 0.000 2.165 322 Y HA -0.335 4.215 4.550 0.001 0.000 0.286 322 Y C 2.222 178.197 175.900 0.125 0.000 1.155 322 Y CA 1.626 59.806 58.100 0.133 0.000 1.164 322 Y CB -0.549 38.000 38.460 0.149 0.000 0.978 322 Y HN 0.150 nan 8.280 nan 0.000 0.513 323 Y N 0.215 120.486 120.300 -0.047 0.000 2.145 323 Y HA -0.216 4.335 4.550 0.001 0.000 0.286 323 Y C 2.004 177.831 175.900 -0.122 0.000 1.145 323 Y CA 1.956 59.976 58.100 -0.134 0.000 1.148 323 Y CB -0.710 37.742 38.460 -0.012 0.000 0.981 323 Y HN 0.167 nan 8.280 nan 0.000 0.507 324 L N -0.411 120.665 121.223 -0.246 0.000 2.083 324 L HA -0.216 4.125 4.340 0.001 0.000 0.209 324 L C 2.358 179.155 176.870 -0.120 0.000 1.083 324 L CA 1.165 55.869 54.840 -0.227 0.000 0.752 324 L CB -0.517 41.604 42.059 0.103 0.000 0.899 324 L HN 0.296 nan 8.230 nan 0.000 0.433 325 L N -0.913 120.205 121.223 -0.174 0.000 2.179 325 L HA -0.101 4.240 4.340 0.001 0.000 0.208 325 L C 2.683 179.423 176.870 -0.216 0.000 1.096 325 L CA 0.524 55.235 54.840 -0.214 0.000 0.779 325 L CB -0.282 41.570 42.059 -0.346 0.000 0.922 325 L HN 0.164 nan 8.230 nan 0.000 0.443 326 R N 0.441 120.718 120.500 -0.371 0.000 2.112 326 R HA -0.092 4.249 4.340 0.001 0.000 0.216 326 R C 2.017 178.186 176.300 -0.218 0.000 1.080 326 R CA 1.172 57.068 56.100 -0.340 0.000 0.996 326 R CB -0.025 29.859 30.300 -0.693 0.000 0.902 326 R HN 0.111 nan 8.270 nan 0.000 0.449 327 E N -0.569 119.432 120.200 -0.332 0.000 2.299 327 E HA 0.182 4.533 4.350 0.001 0.000 0.193 327 E C -0.374 176.061 176.600 -0.276 0.000 0.998 327 E CA 0.493 56.712 56.400 -0.302 0.000 0.851 327 E CB 0.278 29.679 29.700 -0.499 0.000 0.795 327 E HN 0.310 nan 8.360 nan 0.000 0.492 328 I N 1.949 122.364 120.570 -0.260 0.000 2.354 328 I HA 0.297 4.467 4.170 0.001 0.000 0.286 328 I C -2.335 173.678 176.117 -0.174 0.000 1.007 328 I CA -2.520 58.643 61.300 -0.228 0.000 1.167 328 I CB 1.723 39.550 38.000 -0.287 0.000 1.320 328 I HN -0.192 nan 8.210 nan 0.000 0.458 329 P HA -0.016 nan 4.420 nan 0.000 0.270 329 P C -0.707 176.550 177.300 -0.073 0.000 1.242 329 P CA -0.128 62.653 63.100 -0.531 0.000 0.768 329 P CB 0.094 31.415 31.700 -0.631 0.000 0.820 330 Y N 3.643 123.987 120.300 0.074 0.000 2.802 330 Y HA 0.177 4.727 4.550 0.001 0.000 0.333 330 Y C 1.719 177.689 175.900 0.116 0.000 1.244 330 Y CA 2.260 60.484 58.100 0.207 0.000 1.558 330 Y CB -0.358 38.303 38.460 0.335 0.000 1.233 330 Y HN 0.812 nan 8.280 nan 0.000 0.547 331 G N 3.703 112.265 108.800 -0.396 0.000 2.232 331 G HA2 -0.260 3.701 3.960 0.001 0.000 0.226 331 G HA3 -0.260 3.701 3.960 0.001 0.000 0.226 331 G C 0.112 174.991 174.900 -0.034 0.000 0.996 331 G CA 0.034 45.038 45.100 -0.159 0.000 0.626 331 G HN 0.610 nan 8.290 nan 0.000 0.509 332 Q N 1.317 121.056 119.800 -0.102 0.000 2.314 332 Q HA 0.416 4.757 4.340 0.001 0.000 0.259 332 Q C -0.890 175.032 176.000 -0.129 0.000 0.951 332 Q CA -0.772 54.968 55.803 -0.105 0.000 0.909 332 Q CB 0.664 29.330 28.738 -0.119 0.000 1.236 332 Q HN 0.280 nan 8.270 nan 0.000 0.444 333 D N 2.658 122.998 120.400 -0.101 0.000 2.533 333 D HA 0.049 4.690 4.640 0.001 0.000 0.236 333 D C -0.779 175.473 176.300 -0.080 0.000 1.137 333 D CA 0.980 54.941 54.000 -0.065 0.000 0.867 333 D CB 0.817 41.617 40.800 0.000 0.000 1.170 333 D HN 0.352 nan 8.370 nan 0.000 0.474 334 T N 3.255 117.751 114.554 -0.097 0.000 2.993 334 T HA 0.388 4.739 4.350 0.001 0.000 0.312 334 T C -2.684 171.960 174.700 -0.093 0.000 1.115 334 T CA -1.254 60.780 62.100 -0.110 0.000 1.027 334 T CB 2.590 71.356 68.868 -0.171 0.000 1.116 334 T HN 0.159 nan 8.240 nan 0.000 0.464 335 P HA 0.402 nan 4.420 nan 0.000 0.279 335 P C -0.689 176.599 177.300 -0.020 0.000 1.239 335 P CA -0.431 62.646 63.100 -0.038 0.000 0.789 335 P CB 1.006 32.693 31.700 -0.022 0.000 0.933 336 V N -0.059 119.858 119.914 0.004 0.000 2.864 336 V HA 0.942 5.062 4.120 0.001 0.000 0.314 336 V C -0.386 175.751 176.094 0.071 0.000 1.073 336 V CA -0.931 61.423 62.300 0.089 0.000 0.956 336 V CB 1.674 33.546 31.823 0.082 0.000 1.023 336 V HN 0.833 nan 8.190 nan 0.000 0.435 337 S N 0.425 116.173 115.700 0.080 0.000 2.567 337 S HA 0.421 4.892 4.470 0.001 0.000 0.270 337 S C 0.327 174.849 174.600 -0.129 0.000 1.152 337 S CA 0.021 58.212 58.200 -0.016 0.000 0.835 337 S CB 1.702 64.894 63.200 -0.014 0.000 1.115 337 S HN 0.996 nan 8.310 nan 0.000 0.459 338 E N 0.744 120.873 120.200 -0.118 0.000 2.110 338 E HA -0.189 4.162 4.350 0.001 0.000 0.193 338 E C 1.447 177.906 176.600 -0.234 0.000 0.988 338 E CA 1.719 58.007 56.400 -0.187 0.000 0.804 338 E CB -0.056 29.613 29.700 -0.051 0.000 0.745 338 E HN 0.716 nan 8.360 nan 0.000 0.458 339 E N 0.438 120.562 120.200 -0.126 0.000 2.110 339 E HA -0.195 4.156 4.350 0.001 0.000 0.193 339 E C 1.955 178.477 176.600 -0.131 0.000 0.988 339 E CA 1.131 57.475 56.400 -0.092 0.000 0.804 339 E CB -0.437 29.240 29.700 -0.038 0.000 0.745 339 E HN 0.319 nan 8.360 nan 0.000 0.458 340 A N 1.930 124.659 122.820 -0.152 0.000 1.929 340 A HA -0.005 4.316 4.320 0.001 0.000 0.216 340 A C 2.297 179.675 177.584 -0.344 0.000 1.176 340 A CA 0.919 52.887 52.037 -0.116 0.000 0.628 340 A CB -0.676 18.354 19.000 0.051 0.000 0.816 340 A HN 0.262 nan 8.150 nan 0.000 0.444 341 L N -0.683 120.058 121.223 -0.803 0.000 2.056 341 L HA -0.158 4.183 4.340 0.001 0.000 0.207 341 L C 2.716 179.239 176.870 -0.579 0.000 1.078 341 L CA 1.899 56.077 54.840 -1.103 0.000 0.749 341 L CB -0.340 40.981 42.059 -1.229 0.000 0.901 341 L HN 0.517 nan 8.230 nan 0.000 0.433 342 R N -0.843 119.340 120.500 -0.529 0.000 2.083 342 R HA -0.229 4.111 4.340 0.001 0.000 0.237 342 R C 2.324 178.622 176.300 -0.002 0.000 1.137 342 R CA 2.232 58.188 56.100 -0.240 0.000 0.951 342 R CB -0.619 29.648 30.300 -0.055 0.000 0.851 342 R HN 0.382 nan 8.270 nan 0.000 0.434 343 T N -0.164 114.371 114.554 -0.031 0.000 2.746 343 T HA -0.182 4.169 4.350 0.001 0.000 0.267 343 T C 1.953 176.681 174.700 0.048 0.000 1.039 343 T CA 1.738 63.851 62.100 0.022 0.000 1.142 343 T CB -0.207 68.668 68.868 0.013 0.000 0.866 343 T HN 0.332 nan 8.240 nan 0.000 0.444 344 R N -0.900 119.632 120.500 0.053 0.000 2.091 344 R HA -0.093 4.247 4.340 0.001 0.000 0.238 344 R C 2.188 178.574 176.300 0.144 0.000 1.136 344 R CA 1.892 58.075 56.100 0.137 0.000 0.959 344 R CB -0.991 29.443 30.300 0.224 0.000 0.856 344 R HN 0.625 nan 8.270 nan 0.000 0.437 345 Y N 1.259 121.557 120.300 -0.004 0.000 2.114 345 Y HA -0.167 4.384 4.550 0.001 0.000 0.284 345 Y C 1.736 177.616 175.900 -0.033 0.000 1.143 345 Y CA 2.216 60.307 58.100 -0.016 0.000 1.135 345 Y CB -0.129 38.342 38.460 0.018 0.000 0.980 345 Y HN 0.209 nan 8.280 nan 0.000 0.499 346 E N 0.078 120.295 120.200 0.029 0.000 2.077 346 E HA -0.187 4.164 4.350 0.001 0.000 0.193 346 E C 2.302 178.837 176.600 -0.108 0.000 0.989 346 E CA 0.948 57.318 56.400 -0.051 0.000 0.800 346 E CB -0.324 29.427 29.700 0.085 0.000 0.746 346 E HN 0.574 nan 8.360 nan 0.000 0.452 347 A N 1.882 124.668 122.820 -0.057 0.000 1.826 347 A HA -0.183 4.138 4.320 0.001 0.000 0.214 347 A C 1.728 179.256 177.584 -0.094 0.000 1.212 347 A CA 1.777 53.787 52.037 -0.046 0.000 0.605 347 A CB -0.521 18.482 19.000 0.005 0.000 0.861 347 A HN 0.045 nan 8.150 nan 0.000 0.447 348 D N -0.148 120.198 120.400 -0.091 0.000 2.097 348 D HA -0.049 4.591 4.640 0.001 0.000 0.197 348 D C 1.995 178.076 176.300 -0.366 0.000 0.984 348 D CA 1.170 55.083 54.000 -0.144 0.000 0.826 348 D CB -0.164 40.632 40.800 -0.008 0.000 0.973 348 D HN 0.411 nan 8.370 nan 0.000 0.460 349 L N 0.089 120.955 121.223 -0.595 0.000 2.121 349 L HA 0.150 4.491 4.340 0.001 0.000 0.200 349 L C 2.448 178.827 176.870 -0.818 0.000 1.077 349 L CA 0.825 55.021 54.840 -1.074 0.000 0.766 349 L CB -0.574 40.510 42.059 -1.625 0.000 0.931 349 L HN -0.036 nan 8.230 nan 0.000 0.452 350 A N -0.166 122.230 122.820 -0.706 0.000 1.902 350 A HA -0.239 4.081 4.320 0.001 0.000 0.217 350 A C 1.878 179.376 177.584 -0.144 0.000 1.181 350 A CA 2.241 54.087 52.037 -0.318 0.000 0.623 350 A CB -0.484 18.334 19.000 -0.303 0.000 0.818 350 A HN 0.458 nan 8.150 nan 0.000 0.443 351 D N -0.754 119.552 120.400 -0.157 0.000 2.278 351 D HA -0.066 4.574 4.640 0.001 0.000 0.228 351 D C 1.378 177.640 176.300 -0.064 0.000 1.020 351 D CA 1.059 55.013 54.000 -0.077 0.000 0.922 351 D CB -0.324 40.441 40.800 -0.057 0.000 1.051 351 D HN 0.174 nan 8.370 nan 0.000 0.452 352 D N -0.191 120.160 120.400 -0.081 0.000 2.127 352 D HA -0.168 4.472 4.640 0.001 0.000 0.190 352 D C 1.930 178.201 176.300 -0.049 0.000 1.000 352 D CA 1.007 54.973 54.000 -0.057 0.000 0.839 352 D CB -0.325 40.437 40.800 -0.063 0.000 0.955 352 D HN 0.196 nan 8.370 nan 0.000 0.446 353 L N 0.041 121.213 121.223 -0.084 0.000 2.121 353 L HA 0.242 4.583 4.340 0.001 0.000 0.200 353 L C 2.244 179.154 176.870 0.067 0.000 1.077 353 L CA 1.876 56.707 54.840 -0.016 0.000 0.766 353 L CB -1.059 40.978 42.059 -0.037 0.000 0.931 353 L HN 0.088 nan 8.230 nan 0.000 0.452 354 G N -0.275 108.600 108.800 0.124 0.000 2.491 354 G HA2 -0.382 3.579 3.960 0.001 0.000 0.218 354 G HA3 -0.382 3.579 3.960 0.001 0.000 0.218 354 G C 1.529 176.482 174.900 0.090 0.000 1.180 354 G CA 0.967 46.192 45.100 0.209 0.000 0.774 354 G HN 0.528 nan 8.290 nan 0.000 0.562 355 N N 0.143 118.871 118.700 0.046 0.000 2.223 355 N HA -0.085 4.655 4.740 0.001 0.000 0.185 355 N C 2.245 177.774 175.510 0.031 0.000 1.016 355 N CA 1.112 54.179 53.050 0.030 0.000 0.863 355 N CB -0.082 38.413 38.487 0.013 0.000 0.983 355 N HN 0.262 nan 8.380 nan 0.000 0.429 356 L N 1.238 122.480 121.223 0.032 0.000 2.046 356 L HA -0.078 4.263 4.340 0.001 0.000 0.208 356 L C 2.196 179.087 176.870 0.034 0.000 1.077 356 L CA 1.248 56.109 54.840 0.035 0.000 0.747 356 L CB -0.669 41.406 42.059 0.025 0.000 0.896 356 L HN -0.073 nan 8.230 nan 0.000 0.432 357 V N -0.237 119.698 119.914 0.034 0.000 2.295 357 V HA -0.326 3.795 4.120 0.001 0.000 0.246 357 V C 2.590 178.695 176.094 0.019 0.000 1.049 357 V CA 2.066 64.380 62.300 0.022 0.000 1.024 357 V CB -0.761 31.077 31.823 0.026 0.000 0.648 357 V HN 0.661 nan 8.190 nan 0.000 0.447 358 Q N 0.763 120.579 119.800 0.028 0.000 2.050 358 Q HA -0.253 4.088 4.340 0.001 0.000 0.202 358 Q C 2.440 178.457 176.000 0.027 0.000 0.980 358 Q CA 2.125 57.945 55.803 0.028 0.000 0.840 358 Q CB -0.099 28.655 28.738 0.028 0.000 0.898 358 Q HN 0.776 nan 8.270 nan 0.000 0.424 359 R N -1.063 119.453 120.500 0.027 0.000 2.236 359 R HA 0.036 4.376 4.340 0.001 0.000 0.208 359 R C 1.812 178.139 176.300 0.045 0.000 1.036 359 R CA 1.353 57.470 56.100 0.028 0.000 1.001 359 R CB -0.335 29.980 30.300 0.026 0.000 0.896 359 R HN 0.052 nan 8.270 nan 0.000 0.464 360 T N 1.204 115.782 114.554 0.040 0.000 2.770 360 T HA -0.013 4.338 4.350 0.001 0.000 0.263 360 T C 1.779 176.471 174.700 -0.014 0.000 1.039 360 T CA 1.163 63.283 62.100 0.034 0.000 1.142 360 T CB -0.096 68.781 68.868 0.016 0.000 0.868 360 T HN 0.300 nan 8.240 nan 0.000 0.435 361 R N 0.873 121.355 120.500 -0.029 0.000 2.083 361 R HA -0.067 4.274 4.340 0.001 0.000 0.237 361 R C 2.797 179.076 176.300 -0.035 0.000 1.137 361 R CA 1.462 57.511 56.100 -0.084 0.000 0.951 361 R CB -0.560 29.740 30.300 0.001 0.000 0.851 361 R HN 0.359 nan 8.270 nan 0.000 0.434 362 A N 0.903 123.759 122.820 0.060 0.000 1.892 362 A HA -0.219 4.102 4.320 0.001 0.000 0.218 362 A C 2.184 179.750 177.584 -0.029 0.000 1.188 362 A CA 1.708 53.793 52.037 0.081 0.000 0.631 362 A CB -0.498 18.511 19.000 0.015 0.000 0.822 362 A HN 0.245 nan 8.150 nan 0.000 0.447 363 M N -0.792 118.779 119.600 -0.049 0.000 2.229 363 M HA -0.053 4.428 4.480 0.001 0.000 0.264 363 M C 1.987 178.222 176.300 -0.109 0.000 1.063 363 M CA 1.043 56.290 55.300 -0.089 0.000 1.114 363 M CB -0.379 32.327 32.600 0.176 0.000 1.387 363 M HN 0.383 nan 8.290 nan 0.000 0.420 364 L N -1.312 119.847 121.223 -0.108 0.000 2.093 364 L HA -0.157 4.184 4.340 0.001 0.000 0.208 364 L C 2.128 178.874 176.870 -0.207 0.000 1.085 364 L CA 1.276 56.020 54.840 -0.160 0.000 0.755 364 L CB -0.493 41.403 42.059 -0.272 0.000 0.904 364 L HN 0.221 nan 8.230 nan 0.000 0.435 365 F N -0.264 119.618 119.950 -0.114 0.000 2.206 365 F HA -0.106 4.421 4.527 0.001 0.000 0.298 365 F C 2.709 178.379 175.800 -0.217 0.000 1.090 365 F CA 0.784 58.709 58.000 -0.126 0.000 1.323 365 F CB -0.056 38.874 39.000 -0.116 0.000 1.028 365 F HN -0.102 nan 8.300 nan 0.000 0.492 366 R N -0.748 119.610 120.500 -0.237 0.000 2.093 366 R HA -0.015 4.326 4.340 0.001 0.000 0.224 366 R C 1.122 176.967 176.300 -0.757 0.000 1.101 366 R CA 1.240 56.963 56.100 -0.627 0.000 0.979 366 R CB -0.218 29.385 30.300 -1.162 0.000 0.877 366 R HN 0.291 nan 8.270 nan 0.000 0.441 367 F N -1.939 117.853 119.950 -0.263 0.000 2.706 367 F HA 0.393 4.921 4.527 0.001 0.000 0.313 367 F C 0.895 176.670 175.800 -0.042 0.000 1.096 367 F CA -0.489 57.255 58.000 -0.426 0.000 1.219 367 F CB 1.178 39.892 39.000 -0.476 0.000 1.051 367 F HN -0.082 nan 8.300 nan 0.000 0.568 368 A N 0.278 123.166 122.820 0.113 0.000 2.568 368 A HA 0.418 4.739 4.320 0.001 0.000 0.287 368 A C 0.638 178.270 177.584 0.080 0.000 0.967 368 A CA -0.089 52.022 52.037 0.122 0.000 1.004 368 A CB -0.098 18.957 19.000 0.092 0.000 1.233 368 A HN 0.161 nan 8.150 nan 0.000 0.513 369 E N -0.759 119.497 120.200 0.093 0.000 2.476 369 E HA -0.209 4.142 4.350 0.001 0.000 0.251 369 E C 0.937 177.594 176.600 0.094 0.000 1.130 369 E CA 1.391 57.852 56.400 0.102 0.000 0.736 369 E CB -2.171 27.587 29.700 0.097 0.000 1.298 369 E HN 2.047 nan 8.360 nan 0.000 0.400 370 G N 0.009 108.841 108.800 0.054 0.000 2.249 370 G HA2 -0.370 3.590 3.960 0.001 0.000 0.273 370 G HA3 -0.370 3.590 3.960 0.001 0.000 0.273 370 G C 0.142 174.917 174.900 -0.209 0.000 1.036 370 G CA 1.010 46.026 45.100 -0.140 0.000 0.824 370 G HN 0.813 nan 8.290 nan 0.000 0.504 371 R N -1.643 118.780 120.500 -0.129 0.000 2.781 371 R HA 0.774 5.114 4.340 0.001 0.000 0.269 371 R C -0.127 176.148 176.300 -0.042 0.000 1.025 371 R CA -1.448 54.606 56.100 -0.078 0.000 0.914 371 R CB 1.125 31.420 30.300 -0.008 0.000 1.236 371 R HN 0.068 nan 8.270 nan 0.000 0.465 372 I N 2.080 122.644 120.570 -0.009 0.000 2.556 372 I HA 0.196 4.366 4.170 0.001 0.000 0.284 372 I C -1.921 174.264 176.117 0.114 0.000 1.114 372 I CA -1.944 59.388 61.300 0.054 0.000 1.418 372 I CB 0.809 38.847 38.000 0.064 0.000 1.394 372 I HN 0.334 nan 8.210 nan 0.000 0.552 373 P HA 0.077 nan 4.420 nan 0.000 0.274 373 P C -0.567 176.781 177.300 0.080 0.000 1.260 373 P CA -0.452 62.735 63.100 0.146 0.000 0.793 373 P CB 0.517 32.329 31.700 0.186 0.000 1.048 374 E N 1.327 121.513 120.200 -0.023 0.000 2.413 374 E HA 0.112 4.462 4.350 0.001 0.000 0.263 374 E C -2.096 174.234 176.600 -0.450 0.000 1.015 374 E CA -1.264 55.049 56.400 -0.146 0.000 0.916 374 E CB -0.843 28.805 29.700 -0.087 0.000 0.947 374 E HN 0.266 nan 8.360 nan 0.000 0.440 375 P HA -0.016 nan 4.420 nan 0.000 0.266 375 P C -1.146 175.818 177.300 -0.560 0.000 1.195 375 P CA 0.031 62.356 63.100 -1.291 0.000 0.768 375 P CB 0.581 31.910 31.700 -0.618 0.000 0.838 376 V N -0.991 118.722 119.914 -0.335 0.000 3.130 376 V HA 0.869 4.990 4.120 0.001 0.000 0.310 376 V C -0.332 175.946 176.094 0.307 0.000 1.158 376 V CA -1.663 60.669 62.300 0.053 0.000 1.029 376 V CB 1.369 33.252 31.823 0.101 0.000 1.057 376 V HN 0.592 nan 8.190 nan 0.000 0.436 377 A N 0.929 123.840 122.820 0.153 0.000 2.520 377 A HA 0.537 4.857 4.320 0.001 0.000 0.235 377 A C 1.479 178.986 177.584 -0.128 0.000 1.065 377 A CA 0.537 52.584 52.037 0.017 0.000 0.764 377 A CB 0.012 18.982 19.000 -0.050 0.000 1.002 377 A HN 2.055 nan 8.150 nan 0.000 0.502 378 G N -0.406 107.910 108.800 -0.806 0.000 2.551 378 G HA2 0.229 4.190 3.960 0.001 0.000 0.216 378 G HA3 0.229 4.190 3.960 0.001 0.000 0.216 378 G C 0.657 175.190 174.900 -0.612 0.000 1.137 378 G CA 0.947 45.310 45.100 -1.229 0.000 0.798 378 G HN 0.978 nan 8.290 nan 0.000 0.536 379 E N -0.542 119.412 120.200 -0.410 0.000 3.287 379 E HA -0.346 4.005 4.350 0.001 0.000 0.405 379 E C 1.529 177.995 176.600 -0.224 0.000 1.541 379 E CA 1.728 57.993 56.400 -0.224 0.000 1.405 379 E CB -0.896 28.745 29.700 -0.097 0.000 1.576 379 E HN 0.320 nan 8.360 nan 0.000 0.474 380 E N 0.197 120.305 120.200 -0.153 0.000 2.204 380 E HA -0.100 4.251 4.350 0.001 0.000 0.195 380 E C 1.680 178.178 176.600 -0.169 0.000 0.990 380 E CA 0.920 57.251 56.400 -0.115 0.000 0.821 380 E CB 0.007 29.701 29.700 -0.010 0.000 0.750 380 E HN 0.203 nan 8.360 nan 0.000 0.477 381 L N -0.491 120.546 121.223 -0.311 0.000 2.567 381 L HA 0.242 4.583 4.340 0.001 0.000 0.225 381 L C 1.847 178.587 176.870 -0.217 0.000 1.119 381 L CA 0.556 55.284 54.840 -0.186 0.000 0.871 381 L CB -0.743 41.169 42.059 -0.245 0.000 1.036 381 L HN 0.062 nan 8.230 nan 0.000 0.459 382 A N 0.464 122.981 122.820 -0.506 0.000 2.024 382 A HA -0.229 4.092 4.320 0.001 0.000 0.220 382 A C 2.096 179.581 177.584 -0.165 0.000 1.164 382 A CA 1.570 53.289 52.037 -0.531 0.000 0.643 382 A CB -0.485 18.207 19.000 -0.514 0.000 0.806 382 A HN 0.658 nan 8.150 nan 0.000 0.451 383 E N -0.507 119.625 120.200 -0.114 0.000 2.331 383 E HA -0.087 4.263 4.350 0.001 0.000 0.199 383 E C 1.702 178.210 176.600 -0.154 0.000 1.008 383 E CA 0.874 57.224 56.400 -0.084 0.000 0.843 383 E CB -0.770 28.904 29.700 -0.043 0.000 0.761 383 E HN 0.428 nan 8.360 nan 0.000 0.507 384 G N 1.771 110.431 108.800 -0.233 0.000 2.462 384 G HA2 -0.343 3.618 3.960 0.001 0.000 0.220 384 G HA3 -0.343 3.618 3.960 0.001 0.000 0.220 384 G C 1.805 176.555 174.900 -0.251 0.000 1.121 384 G CA 1.360 46.078 45.100 -0.637 0.000 0.758 384 G HN 0.494 nan 8.290 nan 0.000 0.559 385 T N -1.939 112.594 114.554 -0.034 0.000 3.051 385 T HA 0.145 4.495 4.350 0.001 0.000 0.269 385 T C 2.171 176.859 174.700 -0.021 0.000 1.127 385 T CA 1.309 63.421 62.100 0.020 0.000 1.107 385 T CB 0.023 68.951 68.868 0.100 0.000 0.898 385 T HN 0.191 nan 8.240 nan 0.000 0.517 386 G N 0.606 109.373 108.800 -0.055 0.000 2.939 386 G HA2 0.249 4.210 3.960 0.001 0.000 0.210 386 G HA3 0.249 4.210 3.960 0.001 0.000 0.210 386 G C 1.331 176.209 174.900 -0.036 0.000 1.160 386 G CA -0.181 44.897 45.100 -0.037 0.000 0.770 386 G HN 0.498 nan 8.290 nan 0.000 0.543 387 L N 0.703 121.883 121.223 -0.072 0.000 2.046 387 L HA -0.104 4.237 4.340 0.001 0.000 0.208 387 L C 3.350 180.249 176.870 0.047 0.000 1.077 387 L CA 1.166 55.983 54.840 -0.037 0.000 0.747 387 L CB -0.424 41.581 42.059 -0.091 0.000 0.896 387 L HN 0.284 nan 8.230 nan 0.000 0.432 388 A N 0.528 123.381 122.820 0.055 0.000 1.883 388 A HA -0.184 4.136 4.320 0.001 0.000 0.217 388 A C 2.413 180.079 177.584 0.136 0.000 1.186 388 A CA 1.986 54.095 52.037 0.120 0.000 0.624 388 A CB -1.402 17.613 19.000 0.024 0.000 0.822 388 A HN 0.453 nan 8.150 nan 0.000 0.444 389 G N -0.928 107.913 108.800 0.069 0.000 2.432 389 G HA2 -0.213 3.747 3.960 0.001 0.000 0.219 389 G HA3 -0.213 3.747 3.960 0.001 0.000 0.219 389 G C 1.768 176.703 174.900 0.058 0.000 1.135 389 G CA 0.928 46.066 45.100 0.063 0.000 0.767 389 G HN 0.587 nan 8.290 nan 0.000 0.550 390 R N -0.345 120.180 120.500 0.042 0.000 2.090 390 R HA 0.185 4.525 4.340 0.001 0.000 0.228 390 R C 2.477 178.783 176.300 0.011 0.000 1.110 390 R CA 0.600 56.710 56.100 0.017 0.000 0.973 390 R CB -0.279 30.022 30.300 0.001 0.000 0.869 390 R HN 0.325 nan 8.270 nan 0.000 0.440 391 L N -0.052 121.200 121.223 0.049 0.000 2.240 391 L HA -0.010 4.331 4.340 0.001 0.000 0.211 391 L C 2.376 179.200 176.870 -0.076 0.000 1.106 391 L CA 0.786 55.615 54.840 -0.018 0.000 0.793 391 L CB -0.455 41.633 42.059 0.048 0.000 0.927 391 L HN 0.148 nan 8.230 nan 0.000 0.446 392 R N 0.725 121.304 120.500 0.132 0.000 2.115 392 R HA -0.177 4.163 4.340 0.001 0.000 0.239 392 R C -0.167 176.128 176.300 -0.008 0.000 1.133 392 R CA 2.161 58.355 56.100 0.158 0.000 0.935 392 R CB -1.626 28.807 30.300 0.221 0.000 0.853 392 R HN 0.359 nan 8.270 nan 0.000 0.433 393 P HA -0.145 nan 4.420 nan 0.000 0.218 393 P C 1.321 178.564 177.300 -0.096 0.000 1.149 393 P CA 1.094 64.183 63.100 -0.018 0.000 0.817 393 P CB -0.006 31.692 31.700 -0.003 0.000 0.785 394 L N -0.161 120.973 121.223 -0.148 0.000 2.017 394 L HA -0.120 4.221 4.340 0.001 0.000 0.208 394 L C 2.845 179.516 176.870 -0.331 0.000 1.073 394 L CA 1.524 56.227 54.840 -0.227 0.000 0.745 394 L CB -1.715 40.207 42.059 -0.229 0.000 0.894 394 L HN -0.171 nan 8.230 nan 0.000 0.432 395 V N -0.458 119.227 119.914 -0.382 0.000 2.287 395 V HA -0.284 3.836 4.120 0.001 0.000 0.248 395 V C 2.637 178.592 176.094 -0.233 0.000 1.053 395 V CA 1.609 63.655 62.300 -0.423 0.000 1.027 395 V CB -0.581 30.738 31.823 -0.840 0.000 0.646 395 V HN 0.425 nan 8.190 nan 0.000 0.447 396 R N 0.418 120.862 120.500 -0.093 0.000 2.237 396 R HA -0.130 4.210 4.340 0.001 0.000 0.219 396 R C 1.825 178.157 176.300 0.052 0.000 1.080 396 R CA 1.313 57.526 56.100 0.187 0.000 0.995 396 R CB -0.151 30.296 30.300 0.245 0.000 0.875 396 R HN 0.817 nan 8.270 nan 0.000 0.462 397 E N 0.804 120.923 120.200 -0.134 0.000 2.419 397 E HA 0.045 4.395 4.350 0.001 0.000 0.190 397 E C 0.205 176.629 176.600 -0.293 0.000 1.040 397 E CA -0.089 56.197 56.400 -0.190 0.000 0.900 397 E CB 0.006 29.618 29.700 -0.146 0.000 1.054 397 E HN 0.145 nan 8.360 nan 0.000 0.462 398 L N 0.025 120.956 121.223 -0.486 0.000 4.089 398 L HA -0.208 4.132 4.340 0.001 0.000 0.408 398 L C -0.294 176.017 176.870 -0.932 0.000 1.184 398 L CA 0.538 54.829 54.840 -0.915 0.000 0.947 398 L CB -1.303 40.545 42.059 -0.352 0.000 2.066 398 L HN 0.194 nan 8.230 nan 0.000 0.851 399 K N 0.390 120.348 120.400 -0.736 0.000 3.000 399 K HA 0.309 4.630 4.320 0.001 0.000 0.239 399 K C 0.943 177.220 176.600 -0.537 0.000 1.269 399 K CA -0.217 55.784 56.287 -0.476 0.000 1.220 399 K CB -0.295 31.976 32.500 -0.382 0.000 1.645 399 K HN 0.242 nan 8.250 nan 0.000 0.423 400 F N 0.871 120.742 119.950 -0.131 0.000 2.126 400 F HA -0.265 4.263 4.527 0.001 0.000 0.299 400 F C 2.600 178.242 175.800 -0.263 0.000 1.096 400 F CA 1.438 59.254 58.000 -0.306 0.000 1.255 400 F CB -0.522 38.211 39.000 -0.446 0.000 0.997 400 F HN 0.438 nan 8.300 nan 0.000 0.479 401 H N -0.245 118.794 119.070 -0.051 0.000 2.353 401 H HA -0.085 4.472 4.556 0.001 0.000 0.300 401 H C 2.174 177.456 175.328 -0.077 0.000 1.090 401 H CA 1.845 57.843 56.048 -0.082 0.000 1.327 401 H CB -1.361 28.363 29.762 -0.063 0.000 1.383 401 H HN 0.262 nan 8.280 nan 0.000 0.508 402 V N 1.829 121.309 119.914 -0.723 0.000 2.427 402 V HA -0.155 3.966 4.120 0.001 0.000 0.248 402 V C 3.218 179.180 176.094 -0.221 0.000 1.051 402 V CA 1.447 63.482 62.300 -0.442 0.000 1.048 402 V CB -1.132 30.398 31.823 -0.489 0.000 0.666 402 V HN 0.646 nan 8.190 nan 0.000 0.456 403 A N 0.021 122.707 122.820 -0.224 0.000 1.883 403 A HA -0.165 4.156 4.320 0.001 0.000 0.217 403 A C 2.225 179.796 177.584 -0.022 0.000 1.186 403 A CA 1.845 53.806 52.037 -0.128 0.000 0.624 403 A CB -0.552 18.345 19.000 -0.173 0.000 0.822 403 A HN 0.497 nan 8.150 nan 0.000 0.444 404 L N -0.947 120.266 121.223 -0.016 0.000 2.141 404 L HA -0.162 4.179 4.340 0.001 0.000 0.209 404 L C 2.637 179.570 176.870 0.105 0.000 1.094 404 L CA 1.598 56.490 54.840 0.086 0.000 0.763 404 L CB -0.423 41.672 42.059 0.059 0.000 0.908 404 L HN 0.635 nan 8.230 nan 0.000 0.437 405 E N 0.573 120.797 120.200 0.039 0.000 2.077 405 E HA -0.246 4.105 4.350 0.001 0.000 0.193 405 E C 1.943 178.581 176.600 0.062 0.000 0.989 405 E CA 1.264 57.696 56.400 0.053 0.000 0.800 405 E CB 0.094 29.802 29.700 0.013 0.000 0.746 405 E HN 0.477 nan 8.360 nan 0.000 0.452 406 E N -0.067 120.156 120.200 0.038 0.000 2.106 406 E HA -0.172 4.179 4.350 0.001 0.000 0.192 406 E C 2.005 178.667 176.600 0.104 0.000 0.984 406 E CA 0.771 57.203 56.400 0.053 0.000 0.806 406 E CB -0.075 29.636 29.700 0.018 0.000 0.750 406 E HN 0.364 nan 8.360 nan 0.000 0.458 407 A N 1.035 123.928 122.820 0.122 0.000 1.898 407 A HA -0.160 4.161 4.320 0.001 0.000 0.216 407 A C 2.089 179.789 177.584 0.194 0.000 1.181 407 A CA 1.145 53.285 52.037 0.172 0.000 0.620 407 A CB -0.210 18.905 19.000 0.190 0.000 0.819 407 A HN 0.119 nan 8.150 nan 0.000 0.442 408 M N -0.436 119.260 119.600 0.161 0.000 2.319 408 M HA 0.013 4.493 4.480 0.001 0.000 0.265 408 M C 2.399 178.768 176.300 0.116 0.000 1.068 408 M CA 1.172 56.550 55.300 0.131 0.000 1.118 408 M CB -1.459 31.224 32.600 0.139 0.000 1.395 408 M HN 0.487 nan 8.290 nan 0.000 0.435 409 A N -0.885 122.011 122.820 0.126 0.000 1.933 409 A HA -0.212 4.109 4.320 0.001 0.000 0.218 409 A C 2.104 179.780 177.584 0.153 0.000 1.175 409 A CA 1.266 53.371 52.037 0.114 0.000 0.628 409 A CB -0.990 18.070 19.000 0.100 0.000 0.814 409 A HN 0.476 nan 8.150 nan 0.000 0.444 410 Y N 0.531 120.860 120.300 0.047 0.000 2.242 410 Y HA -0.121 4.429 4.550 0.001 0.000 0.291 410 Y C 2.330 178.259 175.900 0.048 0.000 1.137 410 Y CA 1.469 59.597 58.100 0.046 0.000 1.181 410 Y CB -0.384 38.108 38.460 0.054 0.000 0.989 410 Y HN 0.063 nan 8.280 nan 0.000 0.527 411 V N 0.718 120.652 119.914 0.033 0.000 2.343 411 V HA -0.330 3.791 4.120 0.001 0.000 0.247 411 V C 2.243 178.297 176.094 -0.066 0.000 1.051 411 V CA 2.337 64.601 62.300 -0.060 0.000 1.036 411 V CB -0.546 31.284 31.823 0.011 0.000 0.654 411 V HN 0.334 nan 8.190 nan 0.000 0.451 412 K N 0.151 120.545 120.400 -0.011 0.000 2.147 412 K HA -0.083 4.237 4.320 0.001 0.000 0.205 412 K C 2.235 178.830 176.600 -0.008 0.000 1.049 412 K CA 1.323 57.611 56.287 0.002 0.000 0.936 412 K CB -0.337 32.179 32.500 0.028 0.000 0.722 412 K HN 0.491 nan 8.250 nan 0.000 0.446 413 A N 1.276 124.075 122.820 -0.036 0.000 1.969 413 A HA -0.077 4.244 4.320 0.001 0.000 0.218 413 A C 2.050 179.586 177.584 -0.079 0.000 1.169 413 A CA 1.021 53.036 52.037 -0.037 0.000 0.635 413 A CB -0.429 18.560 19.000 -0.018 0.000 0.810 413 A HN 0.135 nan 8.150 nan 0.000 0.445 414 L N -0.420 120.685 121.223 -0.197 0.000 2.109 414 L HA -0.148 4.192 4.340 0.001 0.000 0.207 414 L C 2.353 179.237 176.870 0.023 0.000 1.086 414 L CA 0.947 55.702 54.840 -0.142 0.000 0.760 414 L CB -0.617 41.298 42.059 -0.239 0.000 0.910 414 L HN 0.397 nan 8.230 nan 0.000 0.437 415 N N 0.357 119.064 118.700 0.012 0.000 2.084 415 N HA -0.206 4.535 4.740 0.001 0.000 0.190 415 N C 1.973 177.532 175.510 0.082 0.000 1.030 415 N CA 1.241 54.323 53.050 0.054 0.000 0.849 415 N CB -0.161 38.347 38.487 0.034 0.000 1.012 415 N HN 0.269 nan 8.380 nan 0.000 0.423 416 R N -0.103 120.439 120.500 0.071 0.000 2.091 416 R HA -0.184 4.157 4.340 0.001 0.000 0.238 416 R C 2.191 178.551 176.300 0.101 0.000 1.136 416 R CA 1.260 57.406 56.100 0.077 0.000 0.959 416 R CB -0.365 29.975 30.300 0.067 0.000 0.856 416 R HN 0.256 nan 8.270 nan 0.000 0.437 417 Y N 0.956 121.248 120.300 -0.014 0.000 2.145 417 Y HA -0.194 4.356 4.550 0.001 0.000 0.286 417 Y C 1.880 177.768 175.900 -0.021 0.000 1.145 417 Y CA 1.822 59.910 58.100 -0.019 0.000 1.148 417 Y CB -0.168 38.278 38.460 -0.024 0.000 0.981 417 Y HN 0.025 nan 8.280 nan 0.000 0.507 418 I N 0.269 120.886 120.570 0.079 0.000 2.142 418 I HA -0.389 3.782 4.170 0.001 0.000 0.240 418 I C 1.900 177.977 176.117 -0.066 0.000 1.078 418 I CA 2.095 63.398 61.300 0.005 0.000 1.343 418 I CB -0.686 37.413 38.000 0.166 0.000 1.046 418 I HN 0.313 nan 8.210 nan 0.000 0.405 419 N N 0.086 118.829 118.700 0.072 0.000 2.364 419 N HA -0.227 4.514 4.740 0.001 0.000 0.183 419 N C 1.839 177.328 175.510 -0.035 0.000 1.022 419 N CA 0.799 53.921 53.050 0.121 0.000 0.883 419 N CB -0.031 38.541 38.487 0.141 0.000 0.965 419 N HN 0.467 nan 8.380 nan 0.000 0.438 420 E N 1.326 121.459 120.200 -0.113 0.000 2.042 420 E HA -0.102 4.249 4.350 0.001 0.000 0.189 420 E C 1.398 177.828 176.600 -0.284 0.000 0.974 420 E CA 0.769 57.072 56.400 -0.161 0.000 0.806 420 E CB 0.300 29.915 29.700 -0.142 0.000 0.769 420 E HN 0.101 nan 8.360 nan 0.000 0.451 421 K N 0.866 121.000 120.400 -0.443 0.000 2.167 421 K HA -0.013 4.308 4.320 0.001 0.000 0.203 421 K C 0.196 176.472 176.600 -0.540 0.000 1.052 421 K CA 0.426 56.415 56.287 -0.497 0.000 0.956 421 K CB -0.105 31.985 32.500 -0.683 0.000 0.735 421 K HN 0.101 nan 8.250 nan 0.000 0.451 422 K N 0.664 120.618 120.400 -0.745 0.000 4.868 422 K HA -0.122 4.199 4.320 0.001 0.000 0.314 422 K C -2.050 173.900 176.600 -1.083 0.000 0.932 422 K CA 0.191 55.617 56.287 -1.436 0.000 0.998 422 K CB -0.548 31.199 32.500 -1.255 0.000 1.704 422 K HN 0.146 nan 8.250 nan 0.000 0.426 423 P HA -0.189 nan 4.420 nan 0.000 0.222 423 P C 0.987 178.012 177.300 -0.460 0.000 1.147 423 P CA 1.454 64.332 63.100 -0.370 0.000 0.790 423 P CB -0.127 31.522 31.700 -0.086 0.000 0.780 424 W N 0.629 121.787 121.300 -0.237 0.000 2.525 424 W HA 0.105 4.766 4.660 0.001 0.000 0.259 424 W C 1.463 177.890 176.519 -0.155 0.000 1.253 424 W CA 0.480 57.647 57.345 -0.296 0.000 1.262 424 W CB -1.167 28.384 29.460 0.151 0.000 1.122 424 W HN -0.147 nan 8.180 nan 0.000 0.607 425 E N 0.991 121.001 120.200 -0.318 0.000 2.162 425 E HA 0.052 4.402 4.350 0.001 0.000 0.193 425 E C 2.252 178.765 176.600 -0.145 0.000 0.953 425 E CA 0.617 56.926 56.400 -0.152 0.000 0.849 425 E CB -0.714 28.846 29.700 -0.233 0.000 0.810 425 E HN 0.392 nan 8.360 nan 0.000 0.470 426 L N 0.336 121.425 121.223 -0.223 0.000 2.131 426 L HA -0.126 4.214 4.340 0.001 0.000 0.210 426 L C 2.399 179.198 176.870 -0.118 0.000 1.092 426 L CA 0.836 55.578 54.840 -0.163 0.000 0.759 426 L CB -0.440 41.514 42.059 -0.175 0.000 0.903 426 L HN 0.031 nan 8.230 nan 0.000 0.435 427 F N 1.088 120.847 119.950 -0.318 0.000 2.216 427 F HA -0.219 4.308 4.527 0.001 0.000 0.300 427 F C 2.346 178.066 175.800 -0.133 0.000 1.085 427 F CA 1.428 59.252 58.000 -0.293 0.000 1.326 427 F CB -0.119 38.508 39.000 -0.621 0.000 1.027 427 F HN -0.082 nan 8.300 nan 0.000 0.497 428 K N 0.181 120.560 120.400 -0.035 0.000 1.969 428 K HA -0.223 4.097 4.320 0.001 0.000 0.216 428 K C 1.836 178.363 176.600 -0.122 0.000 1.048 428 K CA 2.270 58.532 56.287 -0.041 0.000 0.948 428 K CB -0.229 32.280 32.500 0.016 0.000 0.726 428 K HN 0.114 nan 8.250 nan 0.000 0.442 429 K N 0.810 121.148 120.400 -0.104 0.000 2.305 429 K HA -0.018 4.302 4.320 0.001 0.000 0.199 429 K C 0.040 176.562 176.600 -0.129 0.000 1.047 429 K CA 0.691 56.918 56.287 -0.100 0.000 0.976 429 K CB 0.260 32.718 32.500 -0.070 0.000 0.765 429 K HN 0.373 nan 8.250 nan 0.000 0.474 430 E N -0.337 119.767 120.200 -0.159 0.000 2.649 430 E HA 0.128 4.479 4.350 0.001 0.000 0.310 430 E C -2.570 173.921 176.600 -0.180 0.000 1.036 430 E CA -1.611 54.697 56.400 -0.155 0.000 0.772 430 E CB 1.439 31.081 29.700 -0.096 0.000 1.513 430 E HN -0.169 nan 8.360 nan 0.000 0.384 431 P HA -0.207 nan 4.420 nan 0.000 0.215 431 P C 0.809 178.116 177.300 0.012 0.000 1.157 431 P CA 1.288 64.231 63.100 -0.263 0.000 0.868 431 P CB 0.441 31.806 31.700 -0.559 0.000 0.788 432 E N 0.155 120.345 120.200 -0.017 0.000 2.097 432 E HA -0.227 4.124 4.350 0.001 0.000 0.196 432 E C 2.098 178.721 176.600 0.038 0.000 1.000 432 E CA 1.556 57.973 56.400 0.027 0.000 0.804 432 E CB -0.829 28.873 29.700 0.002 0.000 0.740 432 E HN 0.317 nan 8.360 nan 0.000 0.454 433 E N 0.284 120.488 120.200 0.005 0.000 2.106 433 E HA -0.087 4.263 4.350 0.001 0.000 0.192 433 E C 1.809 178.423 176.600 0.022 0.000 0.984 433 E CA 1.292 57.695 56.400 0.005 0.000 0.806 433 E CB -0.318 29.362 29.700 -0.034 0.000 0.750 433 E HN 0.237 nan 8.360 nan 0.000 0.458 434 A N 0.586 123.423 122.820 0.028 0.000 1.930 434 A HA -0.105 4.216 4.320 0.001 0.000 0.217 434 A C 2.184 179.840 177.584 0.119 0.000 1.175 434 A CA 1.367 53.424 52.037 0.034 0.000 0.627 434 A CB -0.363 18.662 19.000 0.042 0.000 0.815 434 A HN 0.179 nan 8.150 nan 0.000 0.443 435 R N -0.669 119.928 120.500 0.161 0.000 2.148 435 R HA 0.030 4.371 4.340 0.001 0.000 0.223 435 R C 2.341 178.754 176.300 0.189 0.000 1.088 435 R CA 0.891 57.102 56.100 0.185 0.000 0.985 435 R CB -0.288 30.118 30.300 0.176 0.000 0.880 435 R HN 0.520 nan 8.270 nan 0.000 0.451 436 A N 0.559 123.474 122.820 0.158 0.000 1.897 436 A HA -0.064 4.257 4.320 0.001 0.000 0.215 436 A C 2.248 179.987 177.584 0.258 0.000 1.181 436 A CA 0.943 53.093 52.037 0.189 0.000 0.620 436 A CB -0.316 18.761 19.000 0.129 0.000 0.821 436 A HN 0.084 nan 8.150 nan 0.000 0.443 437 V N 0.219 120.259 119.914 0.209 0.000 2.427 437 V HA -0.220 3.901 4.120 0.001 0.000 0.248 437 V C 2.529 178.789 176.094 0.277 0.000 1.051 437 V CA 1.728 64.190 62.300 0.270 0.000 1.048 437 V CB -0.677 31.207 31.823 0.102 0.000 0.666 437 V HN 0.545 nan 8.190 nan 0.000 0.456 438 L N -1.373 119.981 121.223 0.219 0.000 2.056 438 L HA -0.198 4.143 4.340 0.001 0.000 0.207 438 L C 2.480 179.453 176.870 0.172 0.000 1.078 438 L CA 1.954 56.909 54.840 0.191 0.000 0.749 438 L CB -0.659 41.511 42.059 0.185 0.000 0.901 438 L HN 0.396 nan 8.230 nan 0.000 0.433 439 Y N 1.122 121.497 120.300 0.126 0.000 2.165 439 Y HA -0.266 4.284 4.550 0.001 0.000 0.286 439 Y C 2.753 178.734 175.900 0.135 0.000 1.155 439 Y CA 1.534 59.694 58.100 0.101 0.000 1.164 439 Y CB -0.154 38.371 38.460 0.110 0.000 0.978 439 Y HN 0.001 nan 8.280 nan 0.000 0.513 440 R N -0.817 119.848 120.500 0.275 0.000 2.096 440 R HA -0.144 4.196 4.340 0.001 0.000 0.235 440 R C 2.123 178.501 176.300 0.130 0.000 1.127 440 R CA 1.622 57.923 56.100 0.335 0.000 0.968 440 R CB -0.646 29.833 30.300 0.299 0.000 0.861 440 R HN 0.289 nan 8.270 nan 0.000 0.440 441 V N 0.374 120.337 119.914 0.080 0.000 2.379 441 V HA -0.167 3.954 4.120 0.001 0.000 0.245 441 V C 2.347 178.400 176.094 -0.068 0.000 1.044 441 V CA 1.344 63.661 62.300 0.029 0.000 1.036 441 V CB -0.222 31.654 31.823 0.088 0.000 0.664 441 V HN 0.090 nan 8.190 nan 0.000 0.453 442 V N 0.270 120.099 119.914 -0.142 0.000 2.295 442 V HA -0.250 3.870 4.120 0.001 0.000 0.246 442 V C 2.566 178.464 176.094 -0.326 0.000 1.049 442 V CA 2.277 64.448 62.300 -0.214 0.000 1.024 442 V CB -0.587 31.090 31.823 -0.245 0.000 0.648 442 V HN 0.628 nan 8.190 nan 0.000 0.447 443 E N 1.019 120.878 120.200 -0.569 0.000 2.110 443 E HA -0.127 4.223 4.350 0.001 0.000 0.193 443 E C 2.156 178.517 176.600 -0.398 0.000 0.988 443 E CA 1.592 57.561 56.400 -0.719 0.000 0.804 443 E CB -0.721 28.167 29.700 -1.354 0.000 0.745 443 E HN 0.478 nan 8.360 nan 0.000 0.458 444 G N 0.483 109.198 108.800 -0.142 0.000 2.408 444 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 444 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 444 G C 1.563 176.522 174.900 0.100 0.000 1.150 444 G CA 0.818 46.003 45.100 0.141 0.000 0.776 444 G HN 0.301 nan 8.290 nan 0.000 0.542 445 L N -0.198 121.012 121.223 -0.023 0.000 2.093 445 L HA -0.004 4.337 4.340 0.001 0.000 0.208 445 L C 2.899 179.766 176.870 -0.005 0.000 1.085 445 L CA 1.080 55.916 54.840 -0.007 0.000 0.755 445 L CB -0.376 41.662 42.059 -0.035 0.000 0.904 445 L HN 0.198 nan 8.230 nan 0.000 0.435 446 R N 1.003 121.463 120.500 -0.068 0.000 2.080 446 R HA -0.187 4.153 4.340 0.001 0.000 0.236 446 R C 2.329 178.609 176.300 -0.033 0.000 1.137 446 R CA 1.753 57.807 56.100 -0.078 0.000 0.943 446 R CB -0.306 29.900 30.300 -0.157 0.000 0.846 446 R HN 0.254 nan 8.270 nan 0.000 0.431 447 I N 0.880 121.440 120.570 -0.016 0.000 2.163 447 I HA -0.282 3.888 4.170 0.001 0.000 0.243 447 I C 2.661 178.826 176.117 0.081 0.000 1.085 447 I CA 1.468 62.783 61.300 0.026 0.000 1.347 447 I CB -0.473 37.564 38.000 0.061 0.000 1.044 447 I HN 0.354 nan 8.210 nan 0.000 0.408 448 A N 0.761 123.683 122.820 0.169 0.000 1.902 448 A HA -0.251 4.070 4.320 0.001 0.000 0.217 448 A C 2.499 180.161 177.584 0.129 0.000 1.181 448 A CA 2.317 54.471 52.037 0.195 0.000 0.623 448 A CB -0.955 18.193 19.000 0.246 0.000 0.818 448 A HN 0.550 nan 8.150 nan 0.000 0.443 449 S N -0.157 115.595 115.700 0.086 0.000 2.400 449 S HA -0.146 4.325 4.470 0.001 0.000 0.232 449 S C 1.767 176.402 174.600 0.059 0.000 1.025 449 S CA 1.459 59.701 58.200 0.069 0.000 0.993 449 S CB -0.534 62.687 63.200 0.035 0.000 0.808 449 S HN 0.320 nan 8.310 nan 0.000 0.478 450 I N 2.301 122.891 120.570 0.033 0.000 2.202 450 I HA -0.029 4.142 4.170 0.001 0.000 0.242 450 I C 2.488 178.620 176.117 0.025 0.000 1.091 450 I CA 0.847 62.145 61.300 -0.005 0.000 1.368 450 I CB -1.608 36.365 38.000 -0.046 0.000 1.058 450 I HN 0.338 nan 8.210 nan 0.000 0.410 451 L N -0.050 121.227 121.223 0.089 0.000 2.127 451 L HA -0.180 4.160 4.340 0.001 0.000 0.211 451 L C 2.291 179.347 176.870 0.310 0.000 1.089 451 L CA 1.147 56.117 54.840 0.218 0.000 0.757 451 L CB -0.532 41.667 42.059 0.233 0.000 0.899 451 L HN 0.209 nan 8.230 nan 0.000 0.434 452 L N -1.544 119.820 121.223 0.235 0.000 2.567 452 L HA 0.003 4.344 4.340 0.001 0.000 0.225 452 L C 2.349 179.364 176.870 0.243 0.000 1.119 452 L CA 0.069 55.074 54.840 0.275 0.000 0.871 452 L CB -0.521 41.666 42.059 0.213 0.000 1.036 452 L HN 0.130 nan 8.230 nan 0.000 0.459 453 T N 0.882 115.528 114.554 0.153 0.000 2.665 453 T HA -0.132 4.219 4.350 0.001 0.000 0.268 453 T C -0.500 174.263 174.700 0.105 0.000 1.035 453 T CA 1.618 63.777 62.100 0.098 0.000 1.151 453 T CB -0.894 67.984 68.868 0.018 0.000 0.862 453 T HN 0.221 nan 8.240 nan 0.000 0.438 454 P HA 0.043 nan 4.420 nan 0.000 0.219 454 P C 1.201 178.646 177.300 0.243 0.000 1.146 454 P CA 1.006 64.083 63.100 -0.039 0.000 0.808 454 P CB -0.094 31.309 31.700 -0.496 0.000 0.779 455 A N -1.439 121.658 122.820 0.462 0.000 1.911 455 A HA 0.113 4.433 4.320 0.001 0.000 0.212 455 A C 1.384 179.165 177.584 0.328 0.000 1.189 455 A CA 1.000 53.326 52.037 0.483 0.000 0.639 455 A CB -0.441 18.852 19.000 0.490 0.000 0.839 455 A HN 0.085 nan 8.150 nan 0.000 0.449 456 M N -0.271 119.499 119.600 0.283 0.000 2.693 456 M HA 0.242 4.722 4.480 0.001 0.000 0.224 456 M C -2.398 174.004 176.300 0.170 0.000 1.149 456 M CA -1.589 53.856 55.300 0.243 0.000 0.622 456 M CB 1.653 34.424 32.600 0.285 0.000 1.443 456 M HN -0.030 nan 8.290 nan 0.000 0.431 457 P HA -0.213 nan 4.420 nan 0.000 0.213 457 P C 0.734 178.072 177.300 0.064 0.000 1.176 457 P CA 1.656 64.807 63.100 0.085 0.000 0.919 457 P CB 0.206 31.951 31.700 0.075 0.000 0.791 458 D N -0.884 119.557 120.400 0.068 0.000 2.097 458 D HA -0.145 4.495 4.640 0.001 0.000 0.195 458 D C 1.856 178.164 176.300 0.014 0.000 0.989 458 D CA 1.164 55.188 54.000 0.040 0.000 0.827 458 D CB -0.550 40.278 40.800 0.046 0.000 0.966 458 D HN 0.092 nan 8.370 nan 0.000 0.456 459 K N 0.066 120.481 120.400 0.024 0.000 2.211 459 K HA 0.007 4.328 4.320 0.001 0.000 0.203 459 K C 1.909 178.484 176.600 -0.041 0.000 1.050 459 K CA 0.448 56.698 56.287 -0.062 0.000 0.945 459 K CB -0.142 32.319 32.500 -0.065 0.000 0.732 459 K HN 0.207 nan 8.250 nan 0.000 0.451 460 M N -0.213 119.409 119.600 0.036 0.000 2.288 460 M HA 0.020 4.501 4.480 0.001 0.000 0.266 460 M C 2.166 178.469 176.300 0.005 0.000 1.072 460 M CA 0.857 56.181 55.300 0.040 0.000 1.132 460 M CB -0.959 31.685 32.600 0.073 0.000 1.386 460 M HN 0.016 nan 8.290 nan 0.000 0.432 461 A N -0.043 122.776 122.820 -0.001 0.000 1.930 461 A HA -0.173 4.147 4.320 0.001 0.000 0.217 461 A C 2.141 179.709 177.584 -0.027 0.000 1.175 461 A CA 1.771 53.800 52.037 -0.013 0.000 0.627 461 A CB -0.673 18.323 19.000 -0.008 0.000 0.815 461 A HN 0.568 nan 8.150 nan 0.000 0.443 462 E N -0.181 119.994 120.200 -0.041 0.000 2.106 462 E HA -0.168 4.182 4.350 0.001 0.000 0.192 462 E C 1.947 178.507 176.600 -0.066 0.000 0.984 462 E CA 1.062 57.426 56.400 -0.060 0.000 0.806 462 E CB -0.201 29.443 29.700 -0.093 0.000 0.750 462 E HN 0.617 nan 8.360 nan 0.000 0.458 463 L N 0.511 121.693 121.223 -0.068 0.000 2.017 463 L HA -0.184 4.156 4.340 0.001 0.000 0.208 463 L C 2.723 179.571 176.870 -0.037 0.000 1.073 463 L CA 1.391 56.200 54.840 -0.051 0.000 0.745 463 L CB -0.162 41.885 42.059 -0.020 0.000 0.894 463 L HN 0.059 nan 8.230 nan 0.000 0.432 464 R N -0.291 120.190 120.500 -0.032 0.000 2.083 464 R HA -0.233 4.108 4.340 0.001 0.000 0.237 464 R C 2.525 178.804 176.300 -0.036 0.000 1.137 464 R CA 2.030 58.109 56.100 -0.034 0.000 0.951 464 R CB -0.312 29.969 30.300 -0.031 0.000 0.851 464 R HN 0.331 nan 8.270 nan 0.000 0.434 465 R N -0.242 120.239 120.500 -0.032 0.000 2.096 465 R HA -0.089 4.251 4.340 0.001 0.000 0.235 465 R C 1.928 178.212 176.300 -0.026 0.000 1.127 465 R CA 1.494 57.578 56.100 -0.027 0.000 0.968 465 R CB -0.252 30.034 30.300 -0.024 0.000 0.861 465 R HN 0.275 nan 8.270 nan 0.000 0.440 466 A N 0.567 123.368 122.820 -0.031 0.000 2.019 466 A HA -0.063 4.258 4.320 0.001 0.000 0.219 466 A C 1.814 179.377 177.584 -0.035 0.000 1.164 466 A CA 1.001 53.023 52.037 -0.026 0.000 0.644 466 A CB -0.155 18.827 19.000 -0.030 0.000 0.805 466 A HN 0.378 nan 8.150 nan 0.000 0.449 467 L N -1.400 119.795 121.223 -0.046 0.000 2.728 467 L HA 0.274 4.614 4.340 0.001 0.000 0.238 467 L C 1.420 178.254 176.870 -0.061 0.000 1.143 467 L CA 0.333 55.134 54.840 -0.065 0.000 0.937 467 L CB 0.059 42.076 42.059 -0.071 0.000 1.225 467 L HN 0.504 nan 8.230 nan 0.000 0.507 468 G N 1.104 109.878 108.800 -0.043 0.000 2.225 468 G HA2 -0.282 3.678 3.960 0.001 0.000 0.267 468 G HA3 -0.282 3.678 3.960 0.001 0.000 0.267 468 G C 0.110 174.988 174.900 -0.035 0.000 1.024 468 G CA 0.203 45.282 45.100 -0.034 0.000 0.784 468 G HN 0.267 nan 8.290 nan 0.000 0.507 469 L N -0.817 120.381 121.223 -0.042 0.000 2.416 469 L HA 0.455 4.795 4.340 0.001 0.000 0.262 469 L C 1.177 178.024 176.870 -0.038 0.000 1.093 469 L CA -1.048 53.764 54.840 -0.047 0.000 0.801 469 L CB 0.923 42.945 42.059 -0.062 0.000 1.191 469 L HN 0.153 nan 8.230 nan 0.000 0.459 470 K N 1.146 121.523 120.400 -0.038 0.000 2.453 470 K HA -0.051 4.269 4.320 0.001 0.000 0.280 470 K C 0.593 177.173 176.600 -0.034 0.000 1.045 470 K CA 0.284 56.551 56.287 -0.033 0.000 1.059 470 K CB 0.590 33.069 32.500 -0.035 0.000 0.901 470 K HN 0.567 nan 8.250 nan 0.000 0.475 471 E N 2.487 122.670 120.200 -0.028 0.000 2.028 471 E HA -0.161 4.190 4.350 0.001 0.000 0.190 471 E C -0.058 176.526 176.600 -0.027 0.000 0.984 471 E CA 0.874 57.258 56.400 -0.026 0.000 0.800 471 E CB 0.090 29.777 29.700 -0.020 0.000 0.758 471 E HN 0.554 nan 8.360 nan 0.000 0.448 472 E N 1.053 121.237 120.200 -0.027 0.000 2.289 472 E HA 0.148 4.498 4.350 0.001 0.000 0.278 472 E C -0.761 175.815 176.600 -0.040 0.000 1.032 472 E CA -0.407 55.975 56.400 -0.030 0.000 0.854 472 E CB 1.024 30.708 29.700 -0.026 0.000 1.046 472 E HN 0.012 nan 8.360 nan 0.000 0.409 473 V N 1.424 121.308 119.914 -0.051 0.000 3.158 473 V HA 0.747 4.867 4.120 0.001 0.000 0.311 473 V C -0.652 175.391 176.094 -0.085 0.000 1.181 473 V CA -1.139 61.122 62.300 -0.065 0.000 1.054 473 V CB 2.082 33.864 31.823 -0.068 0.000 1.085 473 V HN 0.656 nan 8.190 nan 0.000 0.446 474 R N 0.200 120.640 120.500 -0.099 0.000 2.686 474 R HA 0.523 4.863 4.340 0.001 0.000 0.283 474 R C 0.282 176.485 176.300 -0.162 0.000 0.978 474 R CA -0.812 55.212 56.100 -0.127 0.000 0.897 474 R CB 2.128 32.369 30.300 -0.098 0.000 1.192 474 R HN 0.756 nan 8.270 nan 0.000 0.457 475 L N 3.144 124.223 121.223 -0.241 0.000 2.081 475 L HA -0.215 4.125 4.340 0.001 0.000 0.212 475 L C 2.093 178.852 176.870 -0.185 0.000 1.080 475 L CA 2.089 56.753 54.840 -0.293 0.000 0.754 475 L CB -0.423 41.337 42.059 -0.498 0.000 0.893 475 L HN 0.785 nan 8.230 nan 0.000 0.433 476 E N -0.988 119.125 120.200 -0.145 0.000 2.160 476 E HA -0.280 4.070 4.350 0.001 0.000 0.195 476 E C 1.618 178.176 176.600 -0.070 0.000 0.991 476 E CA 1.610 57.955 56.400 -0.092 0.000 0.810 476 E CB -0.623 29.032 29.700 -0.076 0.000 0.742 476 E HN 0.687 nan 8.360 nan 0.000 0.466 477 E N 0.838 120.991 120.200 -0.078 0.000 2.268 477 E HA -0.069 4.281 4.350 0.001 0.000 0.195 477 E C 1.850 178.414 176.600 -0.060 0.000 0.995 477 E CA 0.742 57.104 56.400 -0.063 0.000 0.836 477 E CB -0.026 29.633 29.700 -0.069 0.000 0.763 477 E HN 0.447 nan 8.360 nan 0.000 0.491 478 A N 1.155 123.934 122.820 -0.067 0.000 2.238 478 A HA -0.076 4.245 4.320 0.001 0.000 0.208 478 A C 1.405 178.975 177.584 -0.023 0.000 1.177 478 A CA 0.403 52.410 52.037 -0.050 0.000 0.804 478 A CB -0.025 18.940 19.000 -0.059 0.000 0.823 478 A HN 0.111 nan 8.150 nan 0.000 0.482 479 E N -0.554 119.635 120.200 -0.019 0.000 2.476 479 E HA 0.130 4.481 4.350 0.001 0.000 0.196 479 E C -0.047 176.575 176.600 0.038 0.000 1.029 479 E CA -0.079 56.325 56.400 0.005 0.000 0.896 479 E CB 0.455 30.150 29.700 -0.008 0.000 1.012 479 E HN 0.397 nan 8.360 nan 0.000 0.475 480 R N 0.548 121.074 120.500 0.044 0.000 2.686 480 R HA 0.292 4.633 4.340 0.001 0.000 0.286 480 R C -1.215 175.163 176.300 0.129 0.000 0.969 480 R CA -0.705 55.444 56.100 0.083 0.000 0.898 480 R CB 2.050 32.375 30.300 0.042 0.000 1.183 480 R HN 0.057 nan 8.270 nan 0.000 0.456 481 W N 2.007 123.319 121.300 0.020 0.000 2.512 481 W HA 0.375 5.035 4.660 0.001 0.000 0.335 481 W C 0.217 176.786 176.519 0.084 0.000 1.088 481 W CA 0.293 57.667 57.345 0.049 0.000 1.236 481 W CB 1.628 31.117 29.460 0.049 0.000 1.307 481 W HN 0.833 nan 8.180 nan 0.000 0.567 482 G N 3.663 112.133 108.800 -0.549 0.000 2.142 482 G HA2 -0.286 3.674 3.960 0.001 0.000 0.225 482 G HA3 -0.286 3.674 3.960 0.001 0.000 0.225 482 G C 0.340 175.220 174.900 -0.032 0.000 1.015 482 G CA 0.210 45.244 45.100 -0.111 0.000 0.716 482 G HN 0.538 nan 8.290 nan 0.000 0.508 483 L N -0.241 120.906 121.223 -0.127 0.000 2.375 483 L HA 0.384 4.725 4.340 0.001 0.000 0.215 483 L C 2.042 178.884 176.870 -0.047 0.000 1.108 483 L CA 0.680 55.479 54.840 -0.069 0.000 0.830 483 L CB -0.166 41.840 42.059 -0.088 0.000 0.959 483 L HN 0.508 nan 8.230 nan 0.000 0.457 484 A N 1.257 124.032 122.820 -0.075 0.000 2.492 484 A HA 0.137 4.457 4.320 0.001 0.000 0.254 484 A C 0.136 177.783 177.584 0.105 0.000 1.091 484 A CA -0.027 51.981 52.037 -0.049 0.000 0.768 484 A CB -0.110 18.757 19.000 -0.221 0.000 1.028 484 A HN 0.271 nan 8.150 nan 0.000 0.498 485 E N 3.481 123.711 120.200 0.050 0.000 2.313 485 E HA 0.259 4.609 4.350 0.001 0.000 0.272 485 E C -2.213 174.430 176.600 0.072 0.000 1.038 485 E CA -1.889 54.545 56.400 0.056 0.000 0.863 485 E CB 0.941 30.652 29.700 0.018 0.000 1.060 485 E HN 0.478 nan 8.360 nan 0.000 0.402 486 P HA 0.027 nan 4.420 nan 0.000 0.237 486 P C -0.974 176.344 177.300 0.031 0.000 1.788 486 P CA 0.200 63.334 63.100 0.057 0.000 1.061 486 P CB -0.232 31.487 31.700 0.031 0.000 1.967 487 R N 2.548 123.062 120.500 0.022 0.000 2.902 487 R HA 0.774 5.114 4.340 0.001 0.000 0.258 487 R C -2.745 173.555 176.300 -0.001 0.000 1.071 487 R CA -2.647 53.459 56.100 0.010 0.000 1.024 487 R CB 0.510 30.813 30.300 0.004 0.000 1.184 487 R HN -0.002 nan 8.270 nan 0.000 0.492 488 P HA 0.140 nan 4.420 nan 0.000 0.275 488 P C -0.287 176.998 177.300 -0.025 0.000 1.228 488 P CA -0.338 62.758 63.100 -0.006 0.000 0.786 488 P CB 0.874 32.588 31.700 0.024 0.000 0.927 489 I N -0.736 119.792 120.570 -0.070 0.000 2.664 489 I HA 0.538 4.708 4.170 0.001 0.000 0.308 489 I C -2.486 173.639 176.117 0.013 0.000 0.984 489 I CA -3.366 57.887 61.300 -0.078 0.000 1.213 489 I CB 0.330 38.206 38.000 -0.206 0.000 1.379 489 I HN 0.062 nan 8.210 nan 0.000 0.501 490 P HA 0.002 nan 4.420 nan 0.000 0.264 490 P C 0.456 177.876 177.300 0.200 0.000 1.183 490 P CA 0.072 63.223 63.100 0.084 0.000 0.763 490 P CB 0.491 32.221 31.700 0.049 0.000 0.807 491 E N 2.102 122.408 120.200 0.176 0.000 2.130 491 E HA -0.183 4.168 4.350 0.001 0.000 0.196 491 E C -0.019 176.651 176.600 0.118 0.000 0.998 491 E CA 1.559 58.061 56.400 0.170 0.000 0.806 491 E CB 0.288 30.016 29.700 0.046 0.000 0.738 491 E HN 0.597 nan 8.360 nan 0.000 0.459 492 E N -1.819 118.433 120.200 0.086 0.000 2.340 492 E HA 0.647 4.997 4.350 0.001 0.000 0.273 492 E C -1.421 175.211 176.600 0.053 0.000 0.891 492 E CA -0.598 55.834 56.400 0.054 0.000 0.757 492 E CB 2.366 32.069 29.700 0.006 0.000 1.231 492 E HN 0.049 nan 8.360 nan 0.000 0.439 493 A N 2.717 125.564 122.820 0.045 0.000 2.459 493 A HA 0.618 4.938 4.320 0.001 0.000 0.296 493 A C -2.535 175.054 177.584 0.009 0.000 1.039 493 A CA -1.185 50.867 52.037 0.024 0.000 0.698 493 A CB 0.819 19.835 19.000 0.026 0.000 1.261 493 A HN 0.457 nan 8.150 nan 0.000 0.405 494 P HA 0.351 nan 4.420 nan 0.000 0.272 494 P C 0.187 177.479 177.300 -0.015 0.000 1.240 494 P CA -0.193 62.902 63.100 -0.010 0.000 0.791 494 P CB 0.561 32.251 31.700 -0.017 0.000 0.978 495 V N 0.145 120.056 119.914 -0.005 0.000 2.450 495 V HA -0.038 4.083 4.120 0.001 0.000 0.281 495 V C 1.719 177.793 176.094 -0.032 0.000 1.019 495 V CA -0.371 61.931 62.300 0.003 0.000 1.062 495 V CB -0.342 31.499 31.823 0.030 0.000 0.979 495 V HN 0.503 nan 8.190 nan 0.000 0.477 496 L N 4.735 125.913 121.223 -0.076 0.000 1.963 496 L HA 0.035 4.375 4.340 0.001 0.000 0.220 496 L C 1.003 177.643 176.870 -0.384 0.000 1.076 496 L CA 1.933 56.615 54.840 -0.264 0.000 0.772 496 L CB -0.435 41.453 42.059 -0.284 0.000 0.892 496 L HN 0.693 nan 8.230 nan 0.000 0.435 497 F N 1.472 121.442 119.950 0.034 0.000 2.363 497 F HA 0.382 4.910 4.527 0.001 0.000 0.366 497 F C -1.863 174.009 175.800 0.119 0.000 1.083 497 F CA -2.220 55.829 58.000 0.082 0.000 1.176 497 F CB 0.033 38.976 39.000 -0.095 0.000 1.432 497 F HN 0.074 nan 8.300 nan 0.000 0.482 498 P HA -0.019 nan 4.420 nan 0.000 0.269 498 P C -0.324 177.142 177.300 0.276 0.000 1.215 498 P CA -0.436 62.787 63.100 0.205 0.000 0.780 498 P CB 1.129 32.903 31.700 0.124 0.000 0.898 499 K N 1.656 122.165 120.400 0.182 0.000 2.436 499 K HA 0.045 4.365 4.320 0.001 0.000 0.275 499 K C 0.145 176.821 176.600 0.126 0.000 0.999 499 K CA 0.220 56.615 56.287 0.180 0.000 0.980 499 K CB 0.289 32.850 32.500 0.102 0.000 0.919 499 K HN 0.231 nan 8.250 nan 0.000 0.484 500 K N 0.000 120.463 120.400 0.105 0.000 2.780 500 K HA 0.000 4.321 4.320 0.001 0.000 0.191 500 K CA 0.000 56.235 56.287 -0.086 0.000 0.838 500 K CB 0.000 32.304 32.500 -0.326 0.000 1.064 500 K HN 0.000 nan 8.250 nan 0.000 0.543