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 1oxy_1_A DATA FIRST_RESID 1 DATA SEQUENCE TLHDKQIRIC HLFEQLSXXX XXXXXXXXXX XXRLKNVGKL QPGAIFSCFH DATA SEQUENCE PDHLEEARHL YEVFWEAGDF NDFIEIAKEA RTFVNEGLFA FAAEVAVLHR DATA SEQUENCE DDCKGLYVPP VQEIFPDKFI PSAAINEAFK KXXXXXXXXX XXXXXXXXXX DATA SEQUENCE GNILDPEYRL AYYREDVGIN AHHWHWHLVY PSTWNPKYFG KKKDRKGELF DATA SEQUENCE YYMHQQMCAR YDCERLSNGM HRMLPFNNFD EPLAGYAPHL THVASGKYYS DATA SEQUENCE PRPDGLKLRD LGDIEISEMV RMRERILDSI HLGYVISEDG SHKTLDELHG DATA SEQUENCE TDILGALVES SYESVNHEYY GNLHNWGHVT MARIHDPDGR FHEEPGVMSD DATA SEQUENCE TSTSLRDPIF YNWHRFIDNI FHEYKNTLKP YDHDVLNFPD IQVQDVTLHA DATA SEQUENCE RVDNVVHTFM REQELELKHG XXXXXXXSIK AKYYHLDHEP FSYAVNVQNN DATA SEQUENCE SASDKHATVR IFLAPKYDEL GNEIKADELR RTAIELDKFK TDLHPGKNTV DATA SEQUENCE VRHSLDSSVT LSHQPTFEDL LXXXXXXXXX SEYcScGWPS HLLVPKGNVA DATA SEQUENCE GMEYHLFVML TDWDKDKVDX XXXVAcVDAV SYcGARDHKY PDKKPMGFPF DATA SEQUENCE DRPIHTEHIS DFLTNNMFIK DIKIKFH 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.653 174.700 -0.078 0.000 1.109 1 T CA 0.000 62.015 62.100 -0.141 0.000 1.349 1 T CB 0.000 68.788 68.868 -0.133 0.000 0.612 2 L N 2.928 124.092 121.223 -0.099 0.000 2.490 2 L HA 0.365 4.704 4.340 -0.001 0.000 0.274 2 L C 1.499 178.368 176.870 -0.002 0.000 1.201 2 L CA 0.679 55.493 54.840 -0.044 0.000 0.869 2 L CB 0.792 42.808 42.059 -0.072 0.000 1.123 2 L HN 0.284 nan 8.230 nan 0.000 0.484 3 H N 1.682 120.720 119.070 -0.053 0.000 2.426 3 H HA -0.157 4.398 4.556 -0.001 0.000 0.298 3 H C 1.237 176.547 175.328 -0.031 0.000 1.107 3 H CA 2.299 58.325 56.048 -0.036 0.000 1.298 3 H CB 0.187 29.933 29.762 -0.026 0.000 1.377 3 H HN 0.845 nan 8.280 nan 0.000 0.519 4 D N -0.015 120.369 120.400 -0.026 0.000 2.097 4 D HA -0.124 4.516 4.640 -0.001 0.000 0.195 4 D C 2.061 178.322 176.300 -0.065 0.000 0.989 4 D CA 1.243 55.211 54.000 -0.053 0.000 0.827 4 D CB -0.102 40.693 40.800 -0.009 0.000 0.966 4 D HN 0.414 nan 8.370 nan 0.000 0.456 5 K N -0.019 120.331 120.400 -0.083 0.000 2.097 5 K HA -0.156 4.164 4.320 -0.001 0.000 0.205 5 K C 2.118 178.753 176.600 0.058 0.000 1.050 5 K CA 0.832 57.090 56.287 -0.048 0.000 0.938 5 K CB -0.049 32.202 32.500 -0.415 0.000 0.718 5 K HN -0.003 nan 8.250 nan 0.000 0.442 6 Q N 1.459 121.223 119.800 -0.060 0.000 2.084 6 Q HA -0.076 4.263 4.340 -0.001 0.000 0.202 6 Q C 1.762 177.670 176.000 -0.153 0.000 0.978 6 Q CA 1.432 57.193 55.803 -0.070 0.000 0.844 6 Q CB -0.123 28.556 28.738 -0.099 0.000 0.898 6 Q HN 0.306 nan 8.270 nan 0.000 0.426 7 I N -0.247 120.151 120.570 -0.287 0.000 2.315 7 I HA -0.265 3.904 4.170 -0.001 0.000 0.248 7 I C 2.232 178.007 176.117 -0.569 0.000 1.117 7 I CA 1.115 62.178 61.300 -0.395 0.000 1.404 7 I CB -0.183 37.596 38.000 -0.369 0.000 1.071 7 I HN 0.204 nan 8.210 nan 0.000 0.419 8 R N 0.158 120.494 120.500 -0.273 0.000 2.090 8 R HA -0.078 4.262 4.340 -0.001 0.000 0.228 8 R C 2.226 178.498 176.300 -0.046 0.000 1.110 8 R CA 0.997 57.008 56.100 -0.147 0.000 0.973 8 R CB -0.063 30.284 30.300 0.077 0.000 0.869 8 R HN 0.245 nan 8.270 nan 0.000 0.440 9 I N 0.384 120.989 120.570 0.058 0.000 2.286 9 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 9 I C 2.234 178.493 176.117 0.236 0.000 1.104 9 I CA 1.048 62.459 61.300 0.184 0.000 1.397 9 I CB -0.833 37.322 38.000 0.259 0.000 1.072 9 I HN 0.248 nan 8.210 nan 0.000 0.417 10 C N 0.260 119.591 119.300 0.052 0.000 2.410 10 C HA -0.174 4.286 4.460 -0.001 0.000 0.281 10 C C 2.708 177.910 174.990 0.354 0.000 1.318 10 C CA 0.611 59.660 59.018 0.052 0.000 1.776 10 C CB -1.357 26.349 27.740 -0.057 0.000 1.942 10 C HN 0.485 nan 8.230 nan 0.000 0.508 11 H N -0.205 118.998 119.070 0.222 0.000 2.470 11 H HA 0.113 4.668 4.556 -0.001 0.000 0.289 11 H C 2.188 177.609 175.328 0.155 0.000 1.033 11 H CA 0.789 56.948 56.048 0.185 0.000 1.331 11 H CB -0.515 29.300 29.762 0.089 0.000 1.414 11 H HN 0.435 nan 8.280 nan 0.000 0.545 12 L N -0.277 121.085 121.223 0.230 0.000 2.191 12 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 12 L C 0.503 177.399 176.870 0.042 0.000 1.103 12 L CA 1.073 55.929 54.840 0.026 0.000 0.769 12 L CB -0.187 41.742 42.059 -0.216 0.000 0.908 12 L HN 0.136 nan 8.230 nan 0.000 0.438 13 F N -1.084 119.028 119.950 0.270 0.000 2.908 13 F HA 0.272 4.798 4.527 -0.001 0.000 0.328 13 F C 0.440 176.426 175.800 0.310 0.000 1.211 13 F CA -0.848 57.315 58.000 0.271 0.000 1.291 13 F CB -0.066 39.067 39.000 0.222 0.000 0.962 13 F HN -0.158 nan 8.300 nan 0.000 0.505 14 E N 0.771 121.201 120.200 0.383 0.000 2.146 14 E HA 0.301 4.650 4.350 -0.001 0.000 0.282 14 E C 0.024 176.686 176.600 0.102 0.000 0.989 14 E CA -0.463 56.079 56.400 0.237 0.000 0.799 14 E CB 0.691 30.528 29.700 0.229 0.000 1.088 14 E HN 0.200 nan 8.360 nan 0.000 0.397 15 Q N 2.100 121.930 119.800 0.050 0.000 2.413 15 Q HA -0.208 4.131 4.340 -0.001 0.000 0.364 15 Q C -0.994 175.033 176.000 0.043 0.000 1.359 15 Q CA 0.598 56.420 55.803 0.032 0.000 1.097 15 Q CB -0.994 27.745 28.738 0.002 0.000 1.286 15 Q HN 0.639 nan 8.270 nan 0.000 0.358 16 L N 0.556 121.818 121.223 0.066 0.000 2.290 16 L HA 0.621 4.960 4.340 -0.001 0.000 0.284 16 L C 0.782 177.750 176.870 0.164 0.000 1.078 16 L CA 0.872 55.768 54.840 0.093 0.000 0.815 16 L CB 0.668 42.805 42.059 0.129 0.000 1.162 16 L HN 0.782 nan 8.230 nan 0.000 0.435 34 L N 1.868 123.147 121.223 0.095 0.000 3.094 34 L HA 0.345 4.684 4.340 -0.001 0.000 0.254 34 L C 0.819 177.776 176.870 0.146 0.000 1.298 34 L CA -0.203 54.735 54.840 0.163 0.000 1.050 34 L CB 0.818 43.055 42.059 0.296 0.000 1.420 34 L HN 0.053 nan 8.230 nan 0.000 0.548 35 K N 1.070 121.502 120.400 0.055 0.000 1.985 35 K HA -0.114 4.205 4.320 -0.001 0.000 0.210 35 K C 1.198 177.814 176.600 0.027 0.000 1.047 35 K CA 1.635 57.937 56.287 0.025 0.000 0.932 35 K CB -0.167 32.326 32.500 -0.012 0.000 0.716 35 K HN 0.366 nan 8.250 nan 0.000 0.439 36 N N 0.931 119.609 118.700 -0.037 0.000 2.484 36 N HA 0.026 4.765 4.740 -0.001 0.000 0.245 36 N C -0.813 174.673 175.510 -0.040 0.000 1.184 36 N CA 0.038 53.037 53.050 -0.085 0.000 0.884 36 N CB 0.428 38.762 38.487 -0.255 0.000 1.182 36 N HN -0.103 nan 8.380 nan 0.000 0.493 37 V N -0.866 119.078 119.914 0.049 0.000 2.841 37 V HA 0.710 4.829 4.120 -0.001 0.000 0.310 37 V C 0.404 176.557 176.094 0.099 0.000 1.090 37 V CA -0.109 62.219 62.300 0.047 0.000 0.930 37 V CB 1.628 33.470 31.823 0.032 0.000 1.014 37 V HN 0.474 nan 8.190 nan 0.000 0.425 38 G N 4.033 112.817 108.800 -0.026 0.000 2.427 38 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.193 38 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.193 38 G C 0.245 175.176 174.900 0.052 0.000 1.086 38 G CA 0.296 45.386 45.100 -0.018 0.000 0.818 38 G HN 0.662 nan 8.290 nan 0.000 0.490 39 K N -1.257 119.145 120.400 0.002 0.000 2.214 39 K HA 0.256 4.576 4.320 -0.001 0.000 0.201 39 K C 1.115 177.697 176.600 -0.031 0.000 1.049 39 K CA 0.016 56.304 56.287 0.002 0.000 0.978 39 K CB 0.355 32.854 32.500 -0.002 0.000 0.842 39 K HN 0.317 nan 8.250 nan 0.000 0.474 40 L N 2.958 124.136 121.223 -0.074 0.000 2.349 40 L HA 0.062 4.401 4.340 -0.001 0.000 0.275 40 L C -0.689 176.153 176.870 -0.047 0.000 1.115 40 L CA -0.013 54.766 54.840 -0.101 0.000 0.820 40 L CB 0.917 42.866 42.059 -0.183 0.000 1.135 40 L HN 0.062 nan 8.230 nan 0.000 0.445 41 Q N 5.895 125.681 119.800 -0.023 0.000 2.364 41 Q HA 0.287 4.626 4.340 -0.001 0.000 0.267 41 Q C -2.177 173.836 176.000 0.021 0.000 0.999 41 Q CA -1.231 54.576 55.803 0.008 0.000 0.886 41 Q CB -0.387 28.360 28.738 0.015 0.000 1.243 41 Q HN 0.464 nan 8.270 nan 0.000 0.415 42 P HA -0.019 nan 4.420 nan 0.000 0.269 42 P C 0.754 178.099 177.300 0.075 0.000 1.211 42 P CA 1.167 64.300 63.100 0.056 0.000 0.781 42 P CB 0.495 32.227 31.700 0.052 0.000 0.877 43 G N 0.136 109.007 108.800 0.119 0.000 2.458 43 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.237 43 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.237 43 G C 0.544 175.540 174.900 0.161 0.000 1.113 43 G CA 0.188 45.380 45.100 0.153 0.000 0.655 43 G HN 0.869 nan 8.290 nan 0.000 0.513 44 A N 0.500 123.359 122.820 0.064 0.000 2.366 44 A HA 0.643 4.963 4.320 -0.001 0.000 0.249 44 A C 0.572 178.101 177.584 -0.093 0.000 1.084 44 A CA 0.117 52.137 52.037 -0.029 0.000 0.794 44 A CB 0.218 19.222 19.000 0.006 0.000 1.034 44 A HN 0.811 nan 8.150 nan 0.000 0.491 45 I N 1.658 122.083 120.570 -0.242 0.000 2.352 45 I HA 0.118 4.287 4.170 -0.001 0.000 0.290 45 I C -0.155 175.999 176.117 0.061 0.000 1.036 45 I CA 0.021 61.151 61.300 -0.282 0.000 1.336 45 I CB 0.467 38.153 38.000 -0.524 0.000 1.407 45 I HN 0.659 nan 8.210 nan 0.000 0.497 46 F N 7.146 127.117 119.950 0.035 0.000 2.443 46 F HA 0.220 4.747 4.527 0.000 0.000 0.353 46 F C 0.523 176.412 175.800 0.148 0.000 1.101 46 F CA 0.049 58.158 58.000 0.182 0.000 1.226 46 F CB 1.018 40.106 39.000 0.148 0.000 1.140 46 F HN 0.352 nan 8.300 nan 0.000 0.557 47 S N 5.071 120.398 115.700 -0.621 0.000 2.437 47 S HA 0.312 4.781 4.470 -0.001 0.000 0.305 47 S C 0.292 174.227 174.600 -1.108 0.000 1.109 47 S CA -0.834 56.954 58.200 -0.687 0.000 1.099 47 S CB 0.517 63.307 63.200 -0.683 0.000 1.004 47 S HN 0.884 nan 8.310 nan 0.000 0.475 48 C N 4.817 123.651 119.300 -0.778 0.000 2.576 48 C HA 0.297 4.756 4.460 -0.001 0.000 0.267 48 C C 1.069 175.439 174.990 -1.033 0.000 1.364 48 C CA -0.228 58.251 59.018 -0.898 0.000 1.723 48 C CB -2.011 25.249 27.740 -0.800 0.000 1.778 48 C HN 0.919 nan 8.230 nan 0.000 0.572 49 F N -2.446 117.304 119.950 -0.333 0.000 2.747 49 F HA 0.250 4.777 4.527 0.001 0.000 0.305 49 F C 1.334 176.947 175.800 -0.312 0.000 1.065 49 F CA -0.251 57.582 58.000 -0.277 0.000 1.230 49 F CB -0.535 38.308 39.000 -0.261 0.000 1.027 49 F HN 0.175 nan 8.300 nan 0.000 0.607 50 H N 3.669 122.583 119.070 -0.260 0.000 2.886 50 H HA 0.074 4.629 4.556 -0.001 0.000 0.329 50 H C -1.873 173.300 175.328 -0.259 0.000 1.044 50 H CA -1.397 54.471 56.048 -0.301 0.000 1.456 50 H CB 1.507 31.070 29.762 -0.332 0.000 1.464 50 H HN -0.068 nan 8.280 nan 0.000 0.573 51 P HA -0.144 nan 4.420 nan 0.000 0.216 51 P C 0.883 178.233 177.300 0.083 0.000 1.150 51 P CA 1.246 64.276 63.100 -0.118 0.000 0.837 51 P CB 0.452 32.031 31.700 -0.202 0.000 0.786 52 D N -2.251 118.348 120.400 0.332 0.000 2.149 52 D HA -0.144 4.495 4.640 -0.001 0.000 0.201 52 D C 1.953 178.332 176.300 0.131 0.000 0.972 52 D CA 1.073 55.195 54.000 0.204 0.000 0.835 52 D CB -0.822 40.103 40.800 0.209 0.000 0.966 52 D HN 0.385 nan 8.370 nan 0.000 0.476 53 H N 0.278 119.337 119.070 -0.018 0.000 2.357 53 H HA 0.030 4.586 4.556 -0.000 0.000 0.301 53 H C 2.227 177.542 175.328 -0.023 0.000 1.082 53 H CA 0.590 56.596 56.048 -0.071 0.000 1.342 53 H CB 0.179 29.762 29.762 -0.300 0.000 1.389 53 H HN 0.103 nan 8.280 nan 0.000 0.511 54 L N 0.556 121.775 121.223 -0.007 0.000 2.291 54 L HA -0.108 4.231 4.340 -0.001 0.000 0.214 54 L C 2.464 179.258 176.870 -0.127 0.000 1.120 54 L CA 0.637 55.422 54.840 -0.091 0.000 0.799 54 L CB -0.149 41.835 42.059 -0.126 0.000 0.925 54 L HN 0.332 nan 8.230 nan 0.000 0.446 55 E N 0.298 120.421 120.200 -0.128 0.000 2.107 55 E HA -0.234 4.116 4.350 -0.001 0.000 0.191 55 E C 1.976 178.342 176.600 -0.391 0.000 0.982 55 E CA 0.793 57.034 56.400 -0.264 0.000 0.809 55 E CB 0.238 29.844 29.700 -0.157 0.000 0.756 55 E HN 0.442 nan 8.360 nan 0.000 0.459 56 E N -0.373 119.732 120.200 -0.157 0.000 2.158 56 E HA -0.089 4.261 4.350 -0.001 0.000 0.191 56 E C 1.821 178.343 176.600 -0.131 0.000 0.982 56 E CA 0.611 56.968 56.400 -0.071 0.000 0.823 56 E CB 0.067 29.756 29.700 -0.018 0.000 0.766 56 E HN 0.259 nan 8.360 nan 0.000 0.468 57 A N 1.448 124.189 122.820 -0.130 0.000 1.898 57 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 57 A C 2.147 179.569 177.584 -0.271 0.000 1.181 57 A CA 1.243 53.206 52.037 -0.123 0.000 0.620 57 A CB -0.428 18.485 19.000 -0.145 0.000 0.819 57 A HN 0.136 nan 8.150 nan 0.000 0.442 58 R N -0.978 119.203 120.500 -0.531 0.000 2.070 58 R HA -0.195 4.144 4.340 -0.001 0.000 0.233 58 R C 2.044 177.806 176.300 -0.897 0.000 1.137 58 R CA 2.022 57.437 56.100 -1.141 0.000 0.945 58 R CB -0.508 29.323 30.300 -0.781 0.000 0.845 58 R HN 0.774 nan 8.270 nan 0.000 0.430 59 H N -0.382 118.419 119.070 -0.448 0.000 2.319 59 H HA -0.182 4.373 4.556 -0.001 0.000 0.299 59 H C 2.020 177.173 175.328 -0.292 0.000 1.092 59 H CA 1.496 57.357 56.048 -0.312 0.000 1.302 59 H CB 0.022 29.669 29.762 -0.192 0.000 1.373 59 H HN 0.139 nan 8.280 nan 0.000 0.497 60 L N 1.058 122.161 121.223 -0.200 0.000 2.056 60 L HA -0.185 4.155 4.340 -0.001 0.000 0.207 60 L C 2.090 178.658 176.870 -0.503 0.000 1.078 60 L CA 1.339 55.953 54.840 -0.377 0.000 0.749 60 L CB -0.632 41.181 42.059 -0.410 0.000 0.901 60 L HN 0.403 nan 8.230 nan 0.000 0.433 61 Y N -1.446 118.696 120.300 -0.262 0.000 2.571 61 Y HA 0.053 4.602 4.550 -0.001 0.000 0.294 61 Y C 1.916 177.881 175.900 0.107 0.000 1.141 61 Y CA 0.635 58.700 58.100 -0.058 0.000 1.308 61 Y CB -1.229 37.300 38.460 0.116 0.000 1.002 61 Y HN 0.335 nan 8.280 nan 0.000 0.551 62 E N 0.369 120.621 120.200 0.087 0.000 2.122 62 E HA -0.061 4.288 4.350 -0.001 0.000 0.190 62 E C 2.187 178.954 176.600 0.279 0.000 0.977 62 E CA 1.030 57.523 56.400 0.155 0.000 0.820 62 E CB -0.032 29.582 29.700 -0.144 0.000 0.770 62 E HN 0.378 nan 8.360 nan 0.000 0.462 63 V N 1.196 121.207 119.914 0.162 0.000 2.343 63 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 63 V C 1.984 178.343 176.094 0.442 0.000 1.051 63 V CA 1.474 63.914 62.300 0.232 0.000 1.036 63 V CB -0.448 31.476 31.823 0.168 0.000 0.654 63 V HN 0.221 nan 8.190 nan 0.000 0.451 64 F N -1.512 118.620 119.950 0.303 0.000 2.234 64 F HA -0.124 4.403 4.527 -0.001 0.000 0.299 64 F C 2.087 178.036 175.800 0.249 0.000 1.087 64 F CA 0.645 58.852 58.000 0.344 0.000 1.340 64 F CB -1.048 38.176 39.000 0.374 0.000 1.031 64 F HN 0.321 nan 8.300 nan 0.000 0.500 65 W N 1.165 122.644 121.300 0.298 0.000 2.576 65 W HA -0.001 4.659 4.660 -0.000 0.000 0.270 65 W C 2.051 178.630 176.519 0.100 0.000 1.255 65 W CA 0.927 58.373 57.345 0.168 0.000 1.314 65 W CB -0.198 29.406 29.460 0.240 0.000 1.101 65 W HN 0.002 nan 8.180 nan 0.000 0.595 66 E N 0.426 120.783 120.200 0.261 0.000 2.285 66 E HA 0.031 4.380 4.350 -0.001 0.000 0.194 66 E C 1.061 177.676 176.600 0.026 0.000 0.997 66 E CA 0.377 56.825 56.400 0.079 0.000 0.845 66 E CB -0.282 29.519 29.700 0.168 0.000 0.782 66 E HN 0.086 nan 8.360 nan 0.000 0.491 67 A N 0.779 123.664 122.820 0.107 0.000 2.566 67 A HA 0.121 4.440 4.320 -0.001 0.000 0.245 67 A C 1.526 179.122 177.584 0.020 0.000 1.056 67 A CA 0.592 52.692 52.037 0.106 0.000 0.757 67 A CB 0.135 19.260 19.000 0.209 0.000 0.979 67 A HN 0.330 nan 8.150 nan 0.000 0.508 68 G N 2.121 110.931 108.800 0.017 0.000 2.505 68 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.220 68 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.220 68 G C 0.366 175.268 174.900 0.004 0.000 1.145 68 G CA 1.653 46.749 45.100 -0.007 0.000 0.761 68 G HN 1.064 nan 8.290 nan 0.000 0.571 69 D N -3.524 116.908 120.400 0.053 0.000 2.768 69 D HA 0.226 4.865 4.640 -0.001 0.000 0.327 69 D C 0.428 176.839 176.300 0.184 0.000 1.302 69 D CA -1.064 52.993 54.000 0.095 0.000 0.897 69 D CB -0.175 40.676 40.800 0.086 0.000 1.420 69 D HN -0.130 nan 8.370 nan 0.000 0.494 70 F N 0.527 120.522 119.950 0.075 0.000 2.333 70 F HA -0.011 4.515 4.527 -0.001 0.000 0.300 70 F C 1.211 177.067 175.800 0.094 0.000 1.083 70 F CA 1.314 59.396 58.000 0.137 0.000 1.395 70 F CB -0.223 38.832 39.000 0.092 0.000 1.056 70 F HN 0.277 nan 8.300 nan 0.000 0.529 71 N N -0.236 118.576 118.700 0.186 0.000 2.250 71 N HA -0.144 4.595 4.740 -0.001 0.000 0.181 71 N C 1.459 176.964 175.510 -0.008 0.000 1.017 71 N CA 1.266 54.364 53.050 0.080 0.000 0.866 71 N CB -0.427 38.113 38.487 0.088 0.000 0.985 71 N HN 0.214 nan 8.380 nan 0.000 0.429 72 D N -0.192 120.225 120.400 0.028 0.000 2.162 72 D HA -0.086 4.553 4.640 -0.001 0.000 0.203 72 D C 1.526 177.828 176.300 0.004 0.000 0.967 72 D CA 0.368 54.382 54.000 0.023 0.000 0.840 72 D CB -0.125 40.710 40.800 0.058 0.000 0.972 72 D HN 0.138 nan 8.370 nan 0.000 0.482 73 F N 1.577 121.446 119.950 -0.135 0.000 2.075 73 F HA -0.132 4.394 4.527 -0.001 0.000 0.297 73 F C 2.000 177.593 175.800 -0.344 0.000 1.113 73 F CA 1.167 59.033 58.000 -0.223 0.000 1.218 73 F CB -0.584 38.267 39.000 -0.249 0.000 0.984 73 F HN -0.088 nan 8.300 nan 0.000 0.472 74 I N 1.423 121.486 120.570 -0.845 0.000 2.264 74 I HA -0.232 3.938 4.170 -0.001 0.000 0.248 74 I C 2.712 178.560 176.117 -0.449 0.000 1.111 74 I CA 1.716 62.522 61.300 -0.823 0.000 1.382 74 I CB -2.208 35.437 38.000 -0.592 0.000 1.060 74 I HN 0.434 nan 8.210 nan 0.000 0.418 75 E N 2.110 122.156 120.200 -0.257 0.000 2.007 75 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 75 E C 2.012 178.564 176.600 -0.079 0.000 0.999 75 E CA 2.029 58.354 56.400 -0.124 0.000 0.811 75 E CB -1.265 28.403 29.700 -0.053 0.000 0.762 75 E HN 0.621 nan 8.360 nan 0.000 0.450 76 I N -0.212 120.343 120.570 -0.025 0.000 2.454 76 I HA 0.115 4.285 4.170 -0.001 0.000 0.254 76 I C 2.744 178.938 176.117 0.128 0.000 1.156 76 I CA 1.417 62.776 61.300 0.100 0.000 1.433 76 I CB -0.623 37.511 38.000 0.223 0.000 1.082 76 I HN 0.257 nan 8.210 nan 0.000 0.432 77 A N 1.234 123.966 122.820 -0.146 0.000 1.873 77 A HA -0.110 4.209 4.320 -0.001 0.000 0.215 77 A C 2.289 179.891 177.584 0.029 0.000 1.186 77 A CA 1.294 53.226 52.037 -0.175 0.000 0.616 77 A CB -0.469 17.995 19.000 -0.893 0.000 0.823 77 A HN 0.241 nan 8.150 nan 0.000 0.442 78 K N -0.085 120.243 120.400 -0.121 0.000 2.152 78 K HA -0.131 4.189 4.320 -0.001 0.000 0.206 78 K C 1.881 178.457 176.600 -0.040 0.000 1.048 78 K CA 1.267 57.494 56.287 -0.101 0.000 0.933 78 K CB -0.256 32.183 32.500 -0.101 0.000 0.721 78 K HN 0.604 nan 8.250 nan 0.000 0.447 79 E N 0.171 120.390 120.200 0.030 0.000 2.051 79 E HA -0.039 4.311 4.350 -0.001 0.000 0.189 79 E C 1.776 178.506 176.600 0.217 0.000 0.979 79 E CA 0.837 57.295 56.400 0.097 0.000 0.803 79 E CB 0.133 29.894 29.700 0.102 0.000 0.761 79 E HN 0.190 nan 8.360 nan 0.000 0.451 80 A N 1.823 124.817 122.820 0.291 0.000 2.014 80 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 80 A C 2.027 179.664 177.584 0.088 0.000 1.163 80 A CA 1.173 53.418 52.037 0.347 0.000 0.652 80 A CB -0.494 18.764 19.000 0.430 0.000 0.808 80 A HN 0.267 nan 8.150 nan 0.000 0.449 81 R N 0.041 120.456 120.500 -0.142 0.000 2.280 81 R HA -0.047 4.292 4.340 -0.001 0.000 0.207 81 R C 1.479 177.653 176.300 -0.211 0.000 1.043 81 R CA 1.553 57.347 56.100 -0.510 0.000 1.006 81 R CB -1.119 28.489 30.300 -1.153 0.000 0.885 81 R HN 0.449 nan 8.270 nan 0.000 0.467 82 T N -1.903 112.639 114.554 -0.019 0.000 3.088 82 T HA 0.003 4.352 4.350 -0.001 0.000 0.259 82 T C 1.141 175.944 174.700 0.172 0.000 1.122 82 T CA 0.247 62.380 62.100 0.054 0.000 1.095 82 T CB -0.159 68.750 68.868 0.069 0.000 0.930 82 T HN 0.545 nan 8.240 nan 0.000 0.508 83 F N -0.675 119.266 119.950 -0.016 0.000 2.912 83 F HA 0.660 5.186 4.527 -0.001 0.000 0.357 83 F C -0.192 175.625 175.800 0.028 0.000 1.003 83 F CA -1.035 56.970 58.000 0.008 0.000 1.132 83 F CB 0.305 39.312 39.000 0.012 0.000 1.055 83 F HN -0.089 nan 8.300 nan 0.000 0.572 84 V N 2.308 121.890 119.914 -0.554 0.000 2.904 84 V HA 0.202 4.321 4.120 -0.001 0.000 0.305 84 V C -0.074 175.941 176.094 -0.132 0.000 1.067 84 V CA -0.657 61.376 62.300 -0.446 0.000 1.044 84 V CB 1.340 32.867 31.823 -0.495 0.000 1.050 84 V HN 0.403 nan 8.190 nan 0.000 0.475 85 N N 2.300 120.959 118.700 -0.068 0.000 2.412 85 N HA -0.039 4.700 4.740 -0.001 0.000 0.254 85 N C 1.260 176.835 175.510 0.107 0.000 1.232 85 N CA 0.148 53.215 53.050 0.027 0.000 0.880 85 N CB 0.690 39.191 38.487 0.024 0.000 1.076 85 N HN 0.718 nan 8.380 nan 0.000 0.458 86 E N 2.191 122.498 120.200 0.179 0.000 2.338 86 E HA -0.089 4.260 4.350 -0.001 0.000 0.197 86 E C 1.405 178.286 176.600 0.467 0.000 1.007 86 E CA 1.130 57.731 56.400 0.336 0.000 0.849 86 E CB -0.531 29.401 29.700 0.387 0.000 0.774 86 E HN 0.745 nan 8.360 nan 0.000 0.506 87 G N 1.784 110.734 108.800 0.251 0.000 2.408 87 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.213 87 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.213 87 G C 1.621 176.487 174.900 -0.057 0.000 1.177 87 G CA 0.504 45.725 45.100 0.201 0.000 0.802 87 G HN 0.258 nan 8.290 nan 0.000 0.533 88 L N -0.553 120.445 121.223 -0.376 0.000 1.989 88 L HA 0.016 4.355 4.340 -0.001 0.000 0.211 88 L C 2.542 179.350 176.870 -0.104 0.000 1.071 88 L CA 1.723 56.164 54.840 -0.665 0.000 0.749 88 L CB -0.304 41.532 42.059 -0.372 0.000 0.890 88 L HN 0.240 nan 8.230 nan 0.000 0.431 89 F N 0.329 120.283 119.950 0.006 0.000 2.069 89 F HA -0.266 4.261 4.527 -0.001 0.000 0.298 89 F C 2.345 178.327 175.800 0.302 0.000 1.113 89 F CA 1.678 59.763 58.000 0.142 0.000 1.214 89 F CB -0.587 38.484 39.000 0.118 0.000 0.978 89 F HN 0.141 nan 8.300 nan 0.000 0.474 90 A N 0.046 123.180 122.820 0.523 0.000 1.908 90 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 90 A C 2.158 180.138 177.584 0.661 0.000 1.181 90 A CA 1.753 54.190 52.037 0.667 0.000 0.627 90 A CB -1.660 17.876 19.000 0.895 0.000 0.818 90 A HN 0.569 nan 8.150 nan 0.000 0.445 91 F N 0.939 121.151 119.950 0.436 0.000 2.051 91 F HA -0.090 4.436 4.527 -0.001 0.000 0.296 91 F C 2.552 178.443 175.800 0.151 0.000 1.122 91 F CA 1.551 59.694 58.000 0.239 0.000 1.201 91 F CB -0.587 38.431 39.000 0.030 0.000 0.978 91 F HN 0.235 nan 8.300 nan 0.000 0.472 92 A N 0.115 123.166 122.820 0.386 0.000 1.972 92 A HA -0.012 4.308 4.320 -0.001 0.000 0.219 92 A C 2.309 180.072 177.584 0.299 0.000 1.169 92 A CA 1.673 53.892 52.037 0.302 0.000 0.635 92 A CB -1.485 17.549 19.000 0.057 0.000 0.810 92 A HN 0.533 nan 8.150 nan 0.000 0.446 93 A N -0.772 122.174 122.820 0.209 0.000 1.970 93 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 93 A C 1.981 179.799 177.584 0.390 0.000 1.170 93 A CA 1.445 53.637 52.037 0.258 0.000 0.645 93 A CB -0.349 18.429 19.000 -0.370 0.000 0.816 93 A HN 0.610 nan 8.150 nan 0.000 0.447 94 E N -0.234 120.183 120.200 0.361 0.000 2.107 94 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 94 E C 1.804 178.423 176.600 0.031 0.000 0.982 94 E CA 1.004 57.548 56.400 0.240 0.000 0.809 94 E CB -0.006 29.827 29.700 0.222 0.000 0.756 94 E HN 0.312 nan 8.360 nan 0.000 0.459 95 V N 1.073 120.957 119.914 -0.050 0.000 2.407 95 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 95 V C 2.327 178.471 176.094 0.083 0.000 1.055 95 V CA 1.793 64.033 62.300 -0.099 0.000 1.049 95 V CB -0.530 31.099 31.823 -0.322 0.000 0.662 95 V HN 0.384 nan 8.190 nan 0.000 0.455 96 A N -0.333 122.593 122.820 0.176 0.000 1.855 96 A HA -0.154 4.165 4.320 -0.001 0.000 0.215 96 A C 2.379 179.962 177.584 -0.001 0.000 1.191 96 A CA 2.003 54.138 52.037 0.163 0.000 0.613 96 A CB -0.737 18.386 19.000 0.205 0.000 0.829 96 A HN 0.313 nan 8.150 nan 0.000 0.442 97 V N -0.368 119.578 119.914 0.052 0.000 2.332 97 V HA -0.242 3.878 4.120 -0.001 0.000 0.248 97 V C 2.506 178.584 176.094 -0.027 0.000 1.055 97 V CA 1.967 64.306 62.300 0.065 0.000 1.038 97 V CB -0.731 31.208 31.823 0.193 0.000 0.651 97 V HN 0.484 nan 8.190 nan 0.000 0.450 98 L N -0.696 120.436 121.223 -0.152 0.000 2.201 98 L HA -0.111 4.229 4.340 -0.001 0.000 0.212 98 L C 2.074 178.648 176.870 -0.492 0.000 1.105 98 L CA 2.012 56.623 54.840 -0.382 0.000 0.775 98 L CB -0.688 40.966 42.059 -0.675 0.000 0.913 98 L HN 0.497 nan 8.230 nan 0.000 0.440 99 H N -2.979 116.119 119.070 0.047 0.000 2.827 99 H HA 0.291 4.846 4.556 -0.001 0.000 0.269 99 H C 0.401 175.902 175.328 0.288 0.000 1.031 99 H CA -0.392 55.737 56.048 0.136 0.000 1.202 99 H CB 0.352 30.167 29.762 0.088 0.000 1.511 99 H HN 0.030 nan 8.280 nan 0.000 0.517 100 R N 1.274 121.931 120.500 0.262 0.000 2.340 100 R HA 0.017 4.356 4.340 -0.001 0.000 0.300 100 R C 0.004 176.361 176.300 0.096 0.000 1.069 100 R CA -0.026 56.174 56.100 0.165 0.000 0.984 100 R CB 0.773 31.058 30.300 -0.026 0.000 1.003 100 R HN 0.337 nan 8.270 nan 0.000 0.459 101 D N 1.531 121.976 120.400 0.075 0.000 2.133 101 D HA -0.219 4.421 4.640 -0.001 0.000 0.195 101 D C 1.097 177.397 176.300 0.001 0.000 0.997 101 D CA 1.901 55.926 54.000 0.041 0.000 0.840 101 D CB 0.065 40.877 40.800 0.021 0.000 0.947 101 D HN 0.659 nan 8.370 nan 0.000 0.452 102 D N -0.770 119.636 120.400 0.009 0.000 2.348 102 D HA -0.084 4.556 4.640 -0.001 0.000 0.216 102 D C 0.928 177.221 176.300 -0.012 0.000 0.970 102 D CA 0.392 54.394 54.000 0.003 0.000 0.889 102 D CB -0.453 40.401 40.800 0.090 0.000 0.912 102 D HN 0.259 nan 8.370 nan 0.000 0.524 103 C N -0.071 119.252 119.300 0.038 0.000 2.791 103 C HA 0.201 4.660 4.460 -0.001 0.000 0.270 103 C C 0.992 175.918 174.990 -0.106 0.000 1.257 103 C CA -1.050 57.997 59.018 0.048 0.000 1.699 103 C CB -1.354 26.458 27.740 0.119 0.000 1.904 103 C HN 0.248 nan 8.230 nan 0.000 0.603 104 K N 1.116 121.423 120.400 -0.155 0.000 2.436 104 K HA 0.343 4.662 4.320 -0.001 0.000 0.282 104 K C 1.136 177.390 176.600 -0.577 0.000 1.044 104 K CA 1.215 57.304 56.287 -0.330 0.000 1.028 104 K CB -0.118 32.288 32.500 -0.157 0.000 0.919 104 K HN 0.495 nan 8.250 nan 0.000 0.474 105 G N 3.436 111.499 108.800 -1.229 0.000 2.253 105 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.209 105 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.209 105 G C -0.154 174.419 174.900 -0.545 0.000 0.997 105 G CA -0.318 44.173 45.100 -1.016 0.000 0.640 105 G HN 0.515 nan 8.290 nan 0.000 0.496 106 L N 1.462 122.464 121.223 -0.368 0.000 2.289 106 L HA 0.627 4.966 4.340 -0.001 0.000 0.285 106 L C 0.594 177.451 176.870 -0.022 0.000 1.049 106 L CA -1.298 53.495 54.840 -0.079 0.000 0.804 106 L CB 0.668 42.732 42.059 0.009 0.000 1.195 106 L HN 0.102 nan 8.230 nan 0.000 0.428 107 Y N 2.058 122.345 120.300 -0.022 0.000 2.281 107 Y HA 0.360 4.910 4.550 -0.001 0.000 0.337 107 Y C 0.341 176.184 175.900 -0.094 0.000 1.304 107 Y CA -0.188 57.891 58.100 -0.034 0.000 1.465 107 Y CB 1.122 39.541 38.460 -0.068 0.000 1.350 107 Y HN 0.222 nan 8.280 nan 0.000 0.575 108 V N 3.148 123.074 119.914 0.021 0.000 2.604 108 V HA 0.515 4.634 4.120 -0.001 0.000 0.305 108 V C -2.497 173.433 176.094 -0.272 0.000 1.043 108 V CA -2.587 59.600 62.300 -0.188 0.000 0.888 108 V CB 1.974 33.713 31.823 -0.141 0.000 0.995 108 V HN 0.556 nan 8.190 nan 0.000 0.429 109 P HA 0.359 nan 4.420 nan 0.000 0.274 109 P C -2.778 174.338 177.300 -0.307 0.000 1.231 109 P CA -1.551 61.209 63.100 -0.567 0.000 0.790 109 P CB -0.019 30.935 31.700 -1.243 0.000 0.951 110 P HA -0.106 nan 4.420 nan 0.000 0.261 110 P C 1.074 178.347 177.300 -0.044 0.000 1.173 110 P CA 0.398 63.482 63.100 -0.027 0.000 0.760 110 P CB 0.378 32.069 31.700 -0.016 0.000 0.783 111 V N 3.708 123.602 119.914 -0.034 0.000 2.594 111 V HA -0.230 3.890 4.120 -0.001 0.000 0.253 111 V C 1.936 177.934 176.094 -0.160 0.000 1.069 111 V CA 1.956 64.184 62.300 -0.121 0.000 1.082 111 V CB -0.836 30.823 31.823 -0.274 0.000 0.680 111 V HN 0.624 nan 8.190 nan 0.000 0.469 112 Q N -0.950 118.552 119.800 -0.497 0.000 2.472 112 Q HA -0.133 4.207 4.340 -0.001 0.000 0.208 112 Q C 1.521 177.434 176.000 -0.145 0.000 0.958 112 Q CA 1.385 56.739 55.803 -0.748 0.000 0.932 112 Q CB -0.039 28.031 28.738 -1.113 0.000 1.007 112 Q HN 0.727 nan 8.270 nan 0.000 0.508 113 E N 0.246 120.435 120.200 -0.020 0.000 2.340 113 E HA 0.170 4.519 4.350 -0.001 0.000 0.198 113 E C 1.917 178.598 176.600 0.135 0.000 0.961 113 E CA -0.029 56.441 56.400 0.117 0.000 0.905 113 E CB 0.339 30.185 29.700 0.244 0.000 0.884 113 E HN 0.311 nan 8.360 nan 0.000 0.491 114 I N 0.077 120.689 120.570 0.070 0.000 2.233 114 I HA -0.141 4.028 4.170 -0.001 0.000 0.243 114 I C 0.305 176.282 176.117 -0.234 0.000 1.093 114 I CA 1.021 62.253 61.300 -0.113 0.000 1.380 114 I CB 0.211 37.997 38.000 -0.357 0.000 1.067 114 I HN -0.027 nan 8.210 nan 0.000 0.413 115 F N 1.468 121.532 119.950 0.190 0.000 2.531 115 F HA 0.322 4.849 4.527 -0.000 0.000 0.333 115 F C -1.673 174.293 175.800 0.276 0.000 1.292 115 F CA -2.528 55.594 58.000 0.203 0.000 1.184 115 F CB -0.019 39.098 39.000 0.194 0.000 1.426 115 F HN -0.131 nan 8.300 nan 0.000 0.559 116 P HA -0.171 nan 4.420 nan 0.000 0.222 116 P C 0.832 178.340 177.300 0.346 0.000 1.147 116 P CA 1.359 64.654 63.100 0.325 0.000 0.790 116 P CB 0.214 32.043 31.700 0.215 0.000 0.780 117 D N 0.280 120.866 120.400 0.309 0.000 2.371 117 D HA -0.126 4.513 4.640 -0.001 0.000 0.221 117 D C 1.255 177.696 176.300 0.235 0.000 0.986 117 D CA 0.711 54.860 54.000 0.247 0.000 0.899 117 D CB -0.505 40.416 40.800 0.201 0.000 0.902 117 D HN 0.267 nan 8.370 nan 0.000 0.530 118 K N -1.068 119.470 120.400 0.230 0.000 2.358 118 K HA 0.173 4.493 4.320 -0.001 0.000 0.197 118 K C 0.381 176.744 176.600 -0.396 0.000 1.025 118 K CA -0.033 56.219 56.287 -0.059 0.000 1.104 118 K CB 0.371 32.754 32.500 -0.195 0.000 0.855 118 K HN 0.104 nan 8.250 nan 0.000 0.531 119 F N -0.088 119.904 119.950 0.071 0.000 2.778 119 F HA 0.254 4.781 4.527 -0.000 0.000 0.314 119 F C 0.504 176.313 175.800 0.015 0.000 1.073 119 F CA -0.437 57.574 58.000 0.017 0.000 1.218 119 F CB 0.783 39.777 39.000 -0.009 0.000 1.037 119 F HN -0.189 nan 8.300 nan 0.000 0.594 120 I N 1.748 122.448 120.570 0.216 0.000 2.441 120 I HA 0.349 4.518 4.170 -0.001 0.000 0.295 120 I C -2.317 173.890 176.117 0.151 0.000 0.994 120 I CA -3.078 58.325 61.300 0.172 0.000 1.144 120 I CB 1.127 39.242 38.000 0.191 0.000 1.314 120 I HN -0.295 nan 8.210 nan 0.000 0.445 121 P HA -0.021 nan 4.420 nan 0.000 0.264 121 P C 1.049 178.419 177.300 0.117 0.000 1.183 121 P CA 0.461 63.639 63.100 0.131 0.000 0.763 121 P CB 0.641 32.413 31.700 0.119 0.000 0.807 122 S N 3.385 119.155 115.700 0.116 0.000 2.392 122 S HA -0.294 4.176 4.470 -0.001 0.000 0.232 122 S C 1.831 176.465 174.600 0.058 0.000 1.041 122 S CA 1.939 60.195 58.200 0.093 0.000 1.026 122 S CB -0.710 62.550 63.200 0.100 0.000 0.845 122 S HN 0.499 nan 8.310 nan 0.000 0.465 123 A N 1.152 123.998 122.820 0.044 0.000 1.873 123 A HA 0.270 4.589 4.320 -0.001 0.000 0.215 123 A C 2.518 180.134 177.584 0.053 0.000 1.186 123 A CA 1.795 53.848 52.037 0.027 0.000 0.616 123 A CB -1.435 17.566 19.000 0.003 0.000 0.823 123 A HN 0.814 nan 8.150 nan 0.000 0.442 124 A N -0.061 122.805 122.820 0.077 0.000 1.933 124 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 124 A C 2.018 179.668 177.584 0.110 0.000 1.175 124 A CA 1.603 53.700 52.037 0.099 0.000 0.628 124 A CB -0.479 18.596 19.000 0.125 0.000 0.814 124 A HN 0.416 nan 8.150 nan 0.000 0.444 125 I N 0.510 121.147 120.570 0.111 0.000 2.202 125 I HA -0.216 3.953 4.170 -0.001 0.000 0.242 125 I C 2.283 178.467 176.117 0.111 0.000 1.091 125 I CA 2.033 63.410 61.300 0.127 0.000 1.368 125 I CB -1.644 36.422 38.000 0.109 0.000 1.058 125 I HN 0.570 nan 8.210 nan 0.000 0.410 126 N N 1.280 120.009 118.700 0.048 0.000 2.120 126 N HA -0.249 4.491 4.740 -0.001 0.000 0.188 126 N C 1.753 177.309 175.510 0.078 0.000 1.024 126 N CA 1.223 54.282 53.050 0.015 0.000 0.852 126 N CB -0.203 38.279 38.487 -0.009 0.000 1.003 126 N HN 0.228 nan 8.380 nan 0.000 0.424 127 E N -0.620 119.627 120.200 0.079 0.000 2.526 127 E HA 0.025 4.374 4.350 -0.001 0.000 0.198 127 E C -0.789 175.871 176.600 0.100 0.000 1.091 127 E CA 0.309 56.757 56.400 0.080 0.000 0.880 127 E CB -0.048 29.691 29.700 0.065 0.000 0.873 127 E HN 0.479 nan 8.360 nan 0.000 0.527 128 A N 0.775 123.680 122.820 0.142 0.000 3.411 128 A HA 0.241 4.561 4.320 -0.001 0.000 0.238 128 A C -1.308 176.405 177.584 0.215 0.000 1.140 128 A CA -0.569 51.552 52.037 0.140 0.000 0.980 128 A CB -0.354 18.713 19.000 0.111 0.000 1.371 128 A HN 0.173 nan 8.150 nan 0.000 0.700 129 F N 1.709 121.676 119.950 0.028 0.000 2.676 129 F HA 0.454 4.981 4.527 -0.000 0.000 0.371 129 F C 0.578 176.388 175.800 0.017 0.000 1.141 129 F CA -0.495 57.520 58.000 0.025 0.000 1.133 129 F CB 0.705 39.724 39.000 0.031 0.000 1.376 129 F HN 0.435 nan 8.300 nan 0.000 0.491 130 K N 2.629 122.933 120.400 -0.160 0.000 3.129 130 K HA -0.313 4.007 4.320 -0.001 0.000 0.273 130 K C 0.279 176.867 176.600 -0.019 0.000 1.123 130 K CA 1.051 57.263 56.287 -0.125 0.000 0.800 130 K CB -1.156 31.246 32.500 -0.163 0.000 1.238 130 K HN 0.680 nan 8.250 nan 0.000 0.492 152 N N -1.011 117.644 118.700 -0.076 0.000 2.189 152 N HA 0.347 5.086 4.740 -0.001 0.000 0.243 152 N C 0.656 176.094 175.510 -0.120 0.000 1.235 152 N CA 1.146 54.152 53.050 -0.073 0.000 0.843 152 N CB 0.141 38.604 38.487 -0.040 0.000 1.089 152 N HN 1.611 nan 8.380 nan 0.000 0.454 153 I N -1.658 118.852 120.570 -0.100 0.000 2.331 153 I HA 0.539 4.709 4.170 -0.001 0.000 0.292 153 I C 0.220 176.319 176.117 -0.030 0.000 0.998 153 I CA -0.492 60.736 61.300 -0.120 0.000 1.267 153 I CB 1.362 39.321 38.000 -0.067 0.000 1.386 153 I HN 0.484 nan 8.210 nan 0.000 0.476 154 L N 4.768 125.974 121.223 -0.028 0.000 2.959 154 L HA 0.490 4.830 4.340 -0.001 0.000 0.259 154 L C -0.672 176.224 176.870 0.043 0.000 1.185 154 L CA 0.456 55.302 54.840 0.010 0.000 0.998 154 L CB -0.166 41.891 42.059 -0.003 0.000 1.337 154 L HN 0.854 nan 8.230 nan 0.000 0.555 155 D N -1.736 118.710 120.400 0.076 0.000 2.936 155 D HA 0.332 4.972 4.640 -0.001 0.000 0.238 155 D C -1.827 174.559 176.300 0.143 0.000 1.248 155 D CA -1.350 52.713 54.000 0.105 0.000 0.903 155 D CB 2.100 42.973 40.800 0.122 0.000 1.544 155 D HN -0.234 nan 8.370 nan 0.000 0.543 156 P HA -0.163 nan 4.420 nan 0.000 0.220 156 P C 0.884 178.257 177.300 0.121 0.000 1.144 156 P CA 0.741 63.908 63.100 0.111 0.000 0.800 156 P CB 0.463 32.208 31.700 0.075 0.000 0.772 157 E N -0.844 119.441 120.200 0.141 0.000 2.338 157 E HA -0.189 4.160 4.350 -0.001 0.000 0.197 157 E C 1.790 178.484 176.600 0.157 0.000 1.007 157 E CA 0.543 57.024 56.400 0.137 0.000 0.849 157 E CB -1.062 28.740 29.700 0.170 0.000 0.774 157 E HN 0.247 nan 8.360 nan 0.000 0.506 158 Y N 0.482 120.845 120.300 0.105 0.000 2.352 158 Y HA -0.099 4.450 4.550 -0.002 0.000 0.292 158 Y C 1.892 177.861 175.900 0.114 0.000 1.136 158 Y CA 1.408 59.579 58.100 0.119 0.000 1.227 158 Y CB 0.008 38.532 38.460 0.108 0.000 0.991 158 Y HN -0.062 nan 8.280 nan 0.000 0.545 159 R N -0.219 120.317 120.500 0.060 0.000 2.127 159 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 159 R C 1.510 177.827 176.300 0.029 0.000 1.134 159 R CA 1.625 57.751 56.100 0.043 0.000 0.975 159 R CB -0.307 30.031 30.300 0.063 0.000 0.865 159 R HN 0.357 nan 8.270 nan 0.000 0.447 160 L N -0.339 120.823 121.223 -0.101 0.000 2.629 160 L HA 0.227 4.566 4.340 -0.001 0.000 0.230 160 L C 1.784 178.444 176.870 -0.349 0.000 1.151 160 L CA -0.238 54.404 54.840 -0.331 0.000 0.924 160 L CB 0.073 41.947 42.059 -0.308 0.000 1.137 160 L HN 0.173 nan 8.230 nan 0.000 0.457 161 A N 0.474 123.150 122.820 -0.241 0.000 2.015 161 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 161 A C 2.081 179.615 177.584 -0.083 0.000 1.163 161 A CA 1.242 53.183 52.037 -0.160 0.000 0.646 161 A CB -0.594 18.222 19.000 -0.308 0.000 0.806 161 A HN 0.624 nan 8.150 nan 0.000 0.448 162 Y N -2.678 117.628 120.300 0.010 0.000 2.315 162 Y HA -0.194 4.356 4.550 -0.000 0.000 0.288 162 Y C 2.079 178.074 175.900 0.159 0.000 1.154 162 Y CA 1.300 59.459 58.100 0.098 0.000 1.229 162 Y CB -0.825 37.692 38.460 0.096 0.000 0.980 162 Y HN 0.348 nan 8.280 nan 0.000 0.540 163 Y N 1.359 121.315 120.300 -0.573 0.000 2.205 163 Y HA 0.100 4.649 4.550 -0.001 0.000 0.292 163 Y C 2.496 178.345 175.900 -0.084 0.000 1.119 163 Y CA 1.102 59.038 58.100 -0.273 0.000 1.117 163 Y CB -0.278 37.931 38.460 -0.418 0.000 1.037 163 Y HN -0.131 nan 8.280 nan 0.000 0.510 164 R N 0.383 120.921 120.500 0.064 0.000 2.096 164 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 164 R C 1.447 177.719 176.300 -0.047 0.000 1.127 164 R CA 1.819 57.944 56.100 0.042 0.000 0.968 164 R CB -0.281 30.099 30.300 0.135 0.000 0.861 164 R HN 0.481 nan 8.270 nan 0.000 0.440 165 E N 0.722 120.918 120.200 -0.007 0.000 2.444 165 E HA -0.010 4.339 4.350 -0.001 0.000 0.191 165 E C -0.640 175.974 176.600 0.023 0.000 1.041 165 E CA -0.295 56.117 56.400 0.020 0.000 0.883 165 E CB 0.201 29.949 29.700 0.080 0.000 1.024 165 E HN 0.221 nan 8.360 nan 0.000 0.470 166 D N -0.142 120.254 120.400 -0.006 0.000 2.458 166 D HA -0.058 4.582 4.640 -0.001 0.000 0.243 166 D C 1.236 177.559 176.300 0.039 0.000 1.146 166 D CA -0.093 53.929 54.000 0.036 0.000 0.877 166 D CB 1.261 42.059 40.800 -0.002 0.000 1.176 166 D HN -0.231 nan 8.370 nan 0.000 0.461 167 V N 4.105 124.044 119.914 0.042 0.000 2.287 167 V HA -0.157 3.963 4.120 -0.001 0.000 0.248 167 V C 2.336 178.493 176.094 0.105 0.000 1.053 167 V CA 2.271 64.632 62.300 0.103 0.000 1.027 167 V CB -0.884 30.833 31.823 -0.177 0.000 0.646 167 V HN 0.852 nan 8.190 nan 0.000 0.447 168 G N -0.912 107.926 108.800 0.063 0.000 2.422 168 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 168 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 168 G C 1.645 176.491 174.900 -0.089 0.000 1.140 168 G CA 0.837 45.943 45.100 0.011 0.000 0.775 168 G HN 0.490 nan 8.290 nan 0.000 0.545 169 I N 0.207 120.650 120.570 -0.212 0.000 2.353 169 I HA -0.096 4.074 4.170 -0.001 0.000 0.248 169 I C 2.311 178.397 176.117 -0.051 0.000 1.119 169 I CA 0.728 61.810 61.300 -0.364 0.000 1.417 169 I CB -0.006 37.653 38.000 -0.569 0.000 1.078 169 I HN 0.090 nan 8.210 nan 0.000 0.421 170 N N 0.923 119.657 118.700 0.058 0.000 2.216 170 N HA -0.084 4.655 4.740 -0.001 0.000 0.183 170 N C 1.849 177.569 175.510 0.351 0.000 1.017 170 N CA 1.320 54.481 53.050 0.185 0.000 0.861 170 N CB -0.043 38.528 38.487 0.139 0.000 0.986 170 N HN 0.389 nan 8.380 nan 0.000 0.428 171 A N 1.407 124.445 122.820 0.364 0.000 1.877 171 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 171 A C 2.071 179.822 177.584 0.278 0.000 1.186 171 A CA 1.371 53.577 52.037 0.281 0.000 0.620 171 A CB -1.083 18.004 19.000 0.146 0.000 0.822 171 A HN 0.478 nan 8.150 nan 0.000 0.443 172 H N -1.163 118.044 119.070 0.228 0.000 2.352 172 H HA -0.231 4.324 4.556 -0.001 0.000 0.299 172 H C 1.992 177.571 175.328 0.418 0.000 1.097 172 H CA 1.999 58.230 56.048 0.305 0.000 1.311 172 H CB -0.605 29.247 29.762 0.150 0.000 1.377 172 H HN 0.780 nan 8.280 nan 0.000 0.504 173 H N -0.484 118.587 119.070 0.002 0.000 2.421 173 H HA -0.159 4.397 4.556 -0.001 0.000 0.298 173 H C 2.416 177.929 175.328 0.307 0.000 1.087 173 H CA 1.058 57.148 56.048 0.070 0.000 1.330 173 H CB -0.339 29.507 29.762 0.140 0.000 1.388 173 H HN 0.580 nan 8.280 nan 0.000 0.526 174 W N 1.675 123.009 121.300 0.057 0.000 2.378 174 W HA -0.187 4.472 4.660 -0.002 0.000 0.313 174 W C 1.549 178.074 176.519 0.010 0.000 1.197 174 W CA 1.731 59.072 57.345 -0.006 0.000 1.304 174 W CB -0.652 28.768 29.460 -0.066 0.000 1.148 174 W HN 0.397 nan 8.180 nan 0.000 0.494 175 H N -1.803 117.387 119.070 0.199 0.000 2.387 175 H HA -0.208 4.348 4.556 -0.001 0.000 0.299 175 H C 1.888 177.188 175.328 -0.046 0.000 1.090 175 H CA 2.124 58.190 56.048 0.030 0.000 1.332 175 H CB -0.840 29.018 29.762 0.159 0.000 1.386 175 H HN 0.251 nan 8.280 nan 0.000 0.516 176 W N 1.332 122.634 121.300 0.004 0.000 2.355 176 W HA -0.187 4.472 4.660 -0.000 0.000 0.309 176 W C 2.029 178.551 176.519 0.004 0.000 1.206 176 W CA 1.485 58.832 57.345 0.004 0.000 1.284 176 W CB -0.200 29.178 29.460 -0.137 0.000 1.145 176 W HN 0.265 nan 8.180 nan 0.000 0.502 177 H N -0.215 118.977 119.070 0.205 0.000 2.546 177 H HA -0.011 4.544 4.556 -0.001 0.000 0.277 177 H C 2.026 177.210 175.328 -0.239 0.000 1.004 177 H CA 1.479 57.590 56.048 0.105 0.000 1.231 177 H CB -0.094 29.762 29.762 0.156 0.000 1.382 177 H HN 0.282 nan 8.280 nan 0.000 0.580 178 L N -0.414 120.612 121.223 -0.328 0.000 2.416 178 L HA -0.030 4.309 4.340 -0.001 0.000 0.216 178 L C 2.248 178.855 176.870 -0.438 0.000 1.098 178 L CA 0.152 54.694 54.840 -0.498 0.000 0.840 178 L CB 0.278 41.977 42.059 -0.599 0.000 0.981 178 L HN 0.024 nan 8.230 nan 0.000 0.462 179 V N -1.552 118.041 119.914 -0.536 0.000 2.488 179 V HA -0.185 3.934 4.120 -0.001 0.000 0.246 179 V C 0.463 175.852 176.094 -1.175 0.000 1.046 179 V CA 1.138 62.968 62.300 -0.783 0.000 1.053 179 V CB -0.391 30.874 31.823 -0.931 0.000 0.679 179 V HN 0.296 nan 8.190 nan 0.000 0.458 180 Y N 1.406 121.284 120.300 -0.703 0.000 2.635 180 Y HA 0.403 4.953 4.550 -0.001 0.000 0.373 180 Y C -2.329 173.375 175.900 -0.327 0.000 1.000 180 Y CA -3.504 54.193 58.100 -0.671 0.000 1.219 180 Y CB -0.133 37.676 38.460 -1.086 0.000 1.294 180 Y HN 0.232 nan 8.280 nan 0.000 0.612 181 P HA 0.067 nan 4.420 nan 0.000 0.275 181 P C 0.753 178.191 177.300 0.230 0.000 1.228 181 P CA 0.089 63.262 63.100 0.122 0.000 0.786 181 P CB 1.942 33.709 31.700 0.112 0.000 0.927 182 S N 0.737 116.604 115.700 0.277 0.000 2.453 182 S HA -0.109 4.360 4.470 -0.001 0.000 0.231 182 S C 1.416 176.166 174.600 0.250 0.000 1.005 182 S CA 1.478 59.820 58.200 0.236 0.000 0.949 182 S CB -1.576 61.737 63.200 0.188 0.000 0.774 182 S HN 0.623 nan 8.310 nan 0.000 0.510 183 T N -3.074 111.643 114.554 0.272 0.000 3.129 183 T HA 0.079 4.429 4.350 -0.001 0.000 0.251 183 T C 0.435 175.276 174.700 0.236 0.000 1.117 183 T CA -0.611 61.634 62.100 0.242 0.000 1.034 183 T CB -0.628 68.359 68.868 0.199 0.000 0.968 183 T HN 0.559 nan 8.240 nan 0.000 0.526 184 W N 3.849 125.194 121.300 0.075 0.000 2.520 184 W HA 0.122 4.782 4.660 -0.001 0.000 0.337 184 W C -0.466 176.022 176.519 -0.052 0.000 1.406 184 W CA -0.291 57.043 57.345 -0.019 0.000 1.318 184 W CB 0.011 29.395 29.460 -0.126 0.000 1.338 184 W HN 0.137 nan 8.180 nan 0.000 0.570 185 N N 8.017 126.417 118.700 -0.501 0.000 2.485 185 N HA 0.188 4.927 4.740 -0.001 0.000 0.243 185 N C -1.851 173.431 175.510 -0.380 0.000 0.987 185 N CA -2.086 50.574 53.050 -0.650 0.000 0.940 185 N CB 1.479 39.462 38.487 -0.839 0.000 1.122 185 N HN 0.132 nan 8.380 nan 0.000 0.509 186 P HA -0.098 nan 4.420 nan 0.000 0.221 186 P C 0.890 178.226 177.300 0.060 0.000 1.150 186 P CA 1.186 64.345 63.100 0.098 0.000 0.800 186 P CB 0.380 32.229 31.700 0.249 0.000 0.787 187 K N -1.062 119.360 120.400 0.037 0.000 2.116 187 K HA -0.124 4.196 4.320 -0.001 0.000 0.203 187 K C 2.173 178.761 176.600 -0.019 0.000 1.052 187 K CA 1.206 57.514 56.287 0.035 0.000 0.952 187 K CB -1.746 30.789 32.500 0.058 0.000 0.729 187 K HN 0.184 nan 8.250 nan 0.000 0.446 188 Y N 1.468 121.631 120.300 -0.229 0.000 2.128 188 Y HA -0.188 4.361 4.550 -0.001 0.000 0.284 188 Y C 1.718 177.331 175.900 -0.478 0.000 1.154 188 Y CA 1.627 59.502 58.100 -0.375 0.000 1.149 188 Y CB -0.394 37.697 38.460 -0.614 0.000 0.976 188 Y HN -0.079 nan 8.280 nan 0.000 0.505 189 F N -0.019 119.596 119.950 -0.557 0.000 2.780 189 F HA 0.199 4.725 4.527 -0.001 0.000 0.299 189 F C 2.069 177.752 175.800 -0.194 0.000 1.146 189 F CA 0.943 58.489 58.000 -0.755 0.000 1.428 189 F CB -0.269 38.133 39.000 -0.997 0.000 1.115 189 F HN 0.233 nan 8.300 nan 0.000 0.583 190 G N 0.092 108.920 108.800 0.047 0.000 2.168 190 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.263 190 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.263 190 G C 0.158 175.145 174.900 0.144 0.000 0.977 190 G CA 0.542 45.705 45.100 0.104 0.000 0.659 190 G HN 0.695 nan 8.290 nan 0.000 0.533 191 K N -0.617 119.900 120.400 0.195 0.000 2.557 191 K HA 0.785 5.104 4.320 -0.001 0.000 0.261 191 K C -0.295 176.506 176.600 0.334 0.000 0.932 191 K CA -0.256 56.165 56.287 0.223 0.000 0.829 191 K CB 0.876 33.505 32.500 0.215 0.000 1.358 191 K HN 0.514 nan 8.250 nan 0.000 0.430 192 K N 1.573 122.113 120.400 0.232 0.000 2.154 192 K HA 0.471 4.791 4.320 -0.001 0.000 0.264 192 K C -0.341 176.294 176.600 0.058 0.000 1.008 192 K CA -0.748 55.667 56.287 0.213 0.000 0.937 192 K CB 0.896 33.475 32.500 0.132 0.000 1.002 192 K HN 0.374 nan 8.250 nan 0.000 0.469 193 K N 2.214 122.572 120.400 -0.070 0.000 2.292 193 K HA 0.122 4.442 4.320 -0.001 0.000 0.270 193 K C -0.989 175.613 176.600 0.003 0.000 1.062 193 K CA -0.584 55.590 56.287 -0.189 0.000 0.916 193 K CB 1.059 33.313 32.500 -0.410 0.000 1.166 193 K HN 0.609 nan 8.250 nan 0.000 0.458 194 D N 1.760 122.193 120.400 0.055 0.000 2.425 194 D HA 0.016 4.656 4.640 -0.001 0.000 0.247 194 D C 0.001 176.338 176.300 0.061 0.000 1.147 194 D CA 0.278 54.321 54.000 0.071 0.000 0.879 194 D CB 0.430 41.282 40.800 0.086 0.000 1.179 194 D HN 0.359 nan 8.370 nan 0.000 0.456 195 R N 1.990 122.514 120.500 0.040 0.000 3.405 195 R HA -0.274 4.065 4.340 -0.001 0.000 0.258 195 R C 1.140 177.425 176.300 -0.025 0.000 1.030 195 R CA 0.905 57.010 56.100 0.008 0.000 0.691 195 R CB -1.125 29.152 30.300 -0.037 0.000 1.093 195 R HN 0.534 nan 8.270 nan 0.000 0.448 196 K N 0.216 120.622 120.400 0.009 0.000 2.097 196 K HA -0.117 4.203 4.320 -0.001 0.000 0.206 196 K C 2.110 178.769 176.600 0.098 0.000 1.049 196 K CA 1.692 57.979 56.287 -0.001 0.000 0.933 196 K CB -0.200 32.339 32.500 0.066 0.000 0.717 196 K HN 0.431 nan 8.250 nan 0.000 0.442 197 G N 0.721 109.593 108.800 0.119 0.000 2.408 197 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.217 197 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.217 197 G C 1.329 176.350 174.900 0.202 0.000 1.150 197 G CA 0.834 46.042 45.100 0.181 0.000 0.776 197 G HN 0.504 nan 8.290 nan 0.000 0.542 198 E N -0.331 119.933 120.200 0.108 0.000 2.208 198 E HA 0.067 4.416 4.350 -0.001 0.000 0.193 198 E C 2.318 178.958 176.600 0.067 0.000 0.988 198 E CA 0.161 56.616 56.400 0.091 0.000 0.828 198 E CB -0.127 29.588 29.700 0.024 0.000 0.763 198 E HN 0.414 nan 8.360 nan 0.000 0.478 199 L N 0.247 121.484 121.223 0.023 0.000 2.179 199 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 199 L C 2.225 179.169 176.870 0.123 0.000 1.096 199 L CA 0.462 55.322 54.840 0.033 0.000 0.779 199 L CB -0.250 41.750 42.059 -0.099 0.000 0.922 199 L HN 0.259 nan 8.230 nan 0.000 0.443 200 F N 0.263 120.280 119.950 0.113 0.000 2.069 200 F HA -0.353 4.173 4.527 -0.002 0.000 0.298 200 F C 2.522 178.265 175.800 -0.094 0.000 1.113 200 F CA 2.102 60.142 58.000 0.066 0.000 1.214 200 F CB -0.831 38.227 39.000 0.097 0.000 0.978 200 F HN 0.158 nan 8.300 nan 0.000 0.474 201 Y N -0.089 119.908 120.300 -0.504 0.000 2.081 201 Y HA -0.322 4.228 4.550 -0.002 0.000 0.280 201 Y C 2.347 177.955 175.900 -0.487 0.000 1.163 201 Y CA 2.281 59.854 58.100 -0.878 0.000 1.135 201 Y CB -1.660 36.073 38.460 -1.212 0.000 0.970 201 Y HN 0.286 nan 8.280 nan 0.000 0.498 202 Y N 0.207 119.924 120.300 -0.973 0.000 2.163 202 Y HA -0.230 4.319 4.550 -0.001 0.000 0.288 202 Y C 2.593 178.075 175.900 -0.697 0.000 1.136 202 Y CA 2.039 59.603 58.100 -0.893 0.000 1.147 202 Y CB -0.767 37.411 38.460 -0.471 0.000 0.987 202 Y HN 0.355 nan 8.280 nan 0.000 0.509 203 M N -0.422 118.745 119.600 -0.722 0.000 2.108 203 M HA -0.214 4.265 4.480 -0.001 0.000 0.261 203 M C 1.803 177.509 176.300 -0.989 0.000 1.066 203 M CA 2.176 56.873 55.300 -1.007 0.000 1.107 203 M CB -0.650 31.182 32.600 -1.281 0.000 1.356 203 M HN 0.334 nan 8.290 nan 0.000 0.406 204 H N -1.070 117.532 119.070 -0.780 0.000 2.428 204 H HA -0.042 4.513 4.556 -0.001 0.000 0.296 204 H C 2.027 177.102 175.328 -0.421 0.000 1.062 204 H CA 1.649 57.379 56.048 -0.531 0.000 1.350 204 H CB -0.252 29.173 29.762 -0.561 0.000 1.403 204 H HN 0.466 nan 8.280 nan 0.000 0.533 205 Q N 0.774 120.307 119.800 -0.445 0.000 2.084 205 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 205 Q C 1.627 177.417 176.000 -0.350 0.000 0.978 205 Q CA 1.352 56.946 55.803 -0.348 0.000 0.844 205 Q CB 0.147 28.593 28.738 -0.486 0.000 0.898 205 Q HN 0.532 nan 8.270 nan 0.000 0.426 206 Q N -0.357 119.091 119.800 -0.586 0.000 2.172 206 Q HA -0.038 4.302 4.340 -0.001 0.000 0.200 206 Q C 2.126 177.882 176.000 -0.406 0.000 0.964 206 Q CA 0.967 56.424 55.803 -0.576 0.000 0.855 206 Q CB -0.164 27.971 28.738 -1.004 0.000 0.918 206 Q HN 0.472 nan 8.270 nan 0.000 0.444 207 M N -0.790 118.611 119.600 -0.331 0.000 2.229 207 M HA -0.164 4.315 4.480 -0.001 0.000 0.264 207 M C 2.334 178.773 176.300 0.233 0.000 1.063 207 M CA 0.945 56.248 55.300 0.005 0.000 1.114 207 M CB -0.168 32.455 32.600 0.038 0.000 1.387 207 M HN 0.205 nan 8.290 nan 0.000 0.420 208 C N -0.090 119.291 119.300 0.135 0.000 2.476 208 C HA -0.007 4.452 4.460 -0.001 0.000 0.278 208 C C 3.066 178.121 174.990 0.107 0.000 1.274 208 C CA 0.975 60.117 59.018 0.207 0.000 1.713 208 C CB -1.170 26.645 27.740 0.124 0.000 2.039 208 C HN 0.631 nan 8.230 nan 0.000 0.484 209 A N 0.644 123.461 122.820 -0.005 0.000 1.902 209 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 209 A C 2.202 179.765 177.584 -0.036 0.000 1.181 209 A CA 1.464 53.477 52.037 -0.039 0.000 0.623 209 A CB -0.530 18.426 19.000 -0.073 0.000 0.818 209 A HN 0.668 nan 8.150 nan 0.000 0.443 210 R N -2.465 118.021 120.500 -0.023 0.000 2.115 210 R HA -0.099 4.241 4.340 -0.001 0.000 0.230 210 R C 2.083 178.276 176.300 -0.179 0.000 1.111 210 R CA 1.426 57.525 56.100 -0.002 0.000 0.976 210 R CB -0.392 29.988 30.300 0.133 0.000 0.870 210 R HN 0.714 nan 8.270 nan 0.000 0.445 211 Y N 1.880 121.954 120.300 -0.377 0.000 2.200 211 Y HA -0.178 4.370 4.550 -0.002 0.000 0.290 211 Y C 1.659 177.270 175.900 -0.481 0.000 1.137 211 Y CA 1.510 59.148 58.100 -0.769 0.000 1.163 211 Y CB -0.061 38.017 38.460 -0.637 0.000 0.988 211 Y HN -0.037 nan 8.280 nan 0.000 0.518 212 D N -0.751 119.527 120.400 -0.203 0.000 2.178 212 D HA -0.194 4.445 4.640 -0.001 0.000 0.201 212 D C 2.284 178.447 176.300 -0.228 0.000 0.980 212 D CA 1.376 55.243 54.000 -0.223 0.000 0.842 212 D CB -0.564 40.168 40.800 -0.113 0.000 0.948 212 D HN 0.408 nan 8.370 nan 0.000 0.472 213 C N 0.996 120.197 119.300 -0.164 0.000 2.435 213 C HA -0.041 4.418 4.460 -0.001 0.000 0.279 213 C C 2.406 177.335 174.990 -0.103 0.000 1.321 213 C CA 0.346 59.328 59.018 -0.060 0.000 1.752 213 C CB -0.385 27.392 27.740 0.063 0.000 1.959 213 C HN 0.307 nan 8.230 nan 0.000 0.500 214 E N 0.694 120.730 120.200 -0.273 0.000 2.158 214 E HA -0.061 4.289 4.350 -0.001 0.000 0.191 214 E C 2.286 178.694 176.600 -0.320 0.000 0.982 214 E CA 0.714 56.947 56.400 -0.278 0.000 0.823 214 E CB -0.336 29.048 29.700 -0.527 0.000 0.766 214 E HN 0.637 nan 8.360 nan 0.000 0.468 215 R N 0.438 120.664 120.500 -0.456 0.000 2.062 215 R HA 0.002 4.342 4.340 -0.001 0.000 0.231 215 R C 2.621 178.806 176.300 -0.193 0.000 1.136 215 R CA 0.930 56.818 56.100 -0.352 0.000 0.948 215 R CB -0.458 29.620 30.300 -0.369 0.000 0.845 215 R HN 0.136 nan 8.270 nan 0.000 0.430 216 L N 0.421 121.539 121.223 -0.174 0.000 2.131 216 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 216 L C 2.372 179.185 176.870 -0.094 0.000 1.092 216 L CA 0.977 55.740 54.840 -0.127 0.000 0.759 216 L CB -0.346 41.623 42.059 -0.149 0.000 0.903 216 L HN 0.162 nan 8.230 nan 0.000 0.435 217 S N -0.176 115.482 115.700 -0.070 0.000 2.368 217 S HA -0.110 4.360 4.470 -0.001 0.000 0.225 217 S C 1.473 176.048 174.600 -0.042 0.000 1.030 217 S CA 1.040 59.228 58.200 -0.020 0.000 0.999 217 S CB -0.236 62.980 63.200 0.028 0.000 0.844 217 S HN 0.475 nan 8.310 nan 0.000 0.459 218 N N 0.563 119.229 118.700 -0.056 0.000 2.362 218 N HA 0.111 4.850 4.740 -0.001 0.000 0.204 218 N C 1.052 176.539 175.510 -0.039 0.000 1.166 218 N CA 0.631 53.653 53.050 -0.048 0.000 0.831 218 N CB 0.533 38.998 38.487 -0.038 0.000 1.008 218 N HN 0.515 nan 8.380 nan 0.000 0.472 219 G N 1.115 109.890 108.800 -0.041 0.000 2.162 219 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.260 219 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.260 219 G C 0.171 175.060 174.900 -0.018 0.000 0.976 219 G CA 0.276 45.360 45.100 -0.027 0.000 0.655 219 G HN 0.255 nan 8.290 nan 0.000 0.533 220 M N 0.138 119.718 119.600 -0.034 0.000 2.444 220 M HA 0.428 4.908 4.480 -0.001 0.000 0.319 220 M C 0.870 177.172 176.300 0.004 0.000 1.183 220 M CA -0.876 54.417 55.300 -0.011 0.000 1.032 220 M CB 1.025 33.602 32.600 -0.039 0.000 1.569 220 M HN 0.261 nan 8.290 nan 0.000 0.468 221 H N 1.536 120.582 119.070 -0.041 0.000 2.679 221 H HA 0.217 4.773 4.556 -0.000 0.000 0.369 221 H C -0.419 174.885 175.328 -0.040 0.000 1.178 221 H CA 0.277 56.306 56.048 -0.032 0.000 1.419 221 H CB 0.747 30.504 29.762 -0.009 0.000 1.458 221 H HN 0.548 nan 8.280 nan 0.000 0.605 222 R N 2.265 122.411 120.500 -0.590 0.000 2.594 222 R HA 0.061 4.400 4.340 -0.001 0.000 0.272 222 R C 0.455 176.689 176.300 -0.110 0.000 1.074 222 R CA -0.310 55.582 56.100 -0.348 0.000 1.105 222 R CB 0.521 30.581 30.300 -0.400 0.000 1.008 222 R HN 0.566 nan 8.270 nan 0.000 0.472 223 M N 2.212 121.829 119.600 0.028 0.000 2.248 223 M HA 0.140 4.620 4.480 -0.001 0.000 0.345 223 M C -0.954 175.437 176.300 0.152 0.000 1.243 223 M CA 0.591 55.985 55.300 0.155 0.000 1.090 223 M CB 0.333 33.086 32.600 0.255 0.000 1.683 223 M HN 0.324 nan 8.290 nan 0.000 0.450 224 L N 5.364 126.702 121.223 0.190 0.000 2.334 224 L HA 0.528 4.867 4.340 -0.001 0.000 0.277 224 L C -1.869 175.116 176.870 0.192 0.000 1.075 224 L CA -2.150 52.795 54.840 0.176 0.000 0.804 224 L CB 1.027 43.188 42.059 0.169 0.000 1.174 224 L HN 0.596 nan 8.230 nan 0.000 0.438 225 P HA -0.039 nan 4.420 nan 0.000 0.271 225 P C -0.773 176.688 177.300 0.268 0.000 1.216 225 P CA -0.191 63.049 63.100 0.234 0.000 0.776 225 P CB 0.600 32.424 31.700 0.208 0.000 0.881 226 F N 4.475 124.538 119.950 0.188 0.000 2.567 226 F HA 0.164 4.690 4.527 -0.002 0.000 0.352 226 F C 1.210 177.062 175.800 0.086 0.000 1.229 226 F CA -0.286 57.802 58.000 0.146 0.000 1.228 226 F CB -0.660 38.443 39.000 0.172 0.000 1.568 226 F HN 0.316 nan 8.300 nan 0.000 0.634 227 N N 2.202 120.832 118.700 -0.117 0.000 2.220 227 N HA -0.002 4.738 4.740 -0.001 0.000 0.195 227 N C -0.073 175.245 175.510 -0.320 0.000 1.123 227 N CA -0.352 52.601 53.050 -0.162 0.000 0.874 227 N CB 0.019 38.576 38.487 0.118 0.000 0.995 227 N HN 0.529 nan 8.380 nan 0.000 0.498 228 N N 0.473 118.944 118.700 -0.381 0.000 2.501 228 N HA 0.085 4.824 4.740 -0.001 0.000 0.245 228 N C -0.355 174.921 175.510 -0.390 0.000 0.974 228 N CA -0.649 52.205 53.050 -0.327 0.000 0.941 228 N CB 0.480 38.831 38.487 -0.227 0.000 1.122 228 N HN -0.070 nan 8.380 nan 0.000 0.507 229 F N 1.487 121.163 119.950 -0.457 0.000 2.771 229 F HA 0.015 4.539 4.527 -0.005 0.000 0.299 229 F C 1.231 176.944 175.800 -0.144 0.000 1.177 229 F CA 0.147 57.954 58.000 -0.322 0.000 1.450 229 F CB -0.106 38.825 39.000 -0.116 0.000 1.114 229 F HN 0.573 nan 8.300 nan 0.000 0.587 230 D N 0.180 120.581 120.400 0.001 0.000 2.349 230 D HA 0.060 4.699 4.640 -0.001 0.000 0.214 230 D C 1.171 177.481 176.300 0.017 0.000 1.063 230 D CA 0.350 54.361 54.000 0.019 0.000 0.847 230 D CB 0.029 40.822 40.800 -0.010 0.000 0.933 230 D HN 0.389 nan 8.370 nan 0.000 0.513 231 E N 2.842 123.024 120.200 -0.031 0.000 2.360 231 E HA 0.213 4.563 4.350 -0.001 0.000 0.269 231 E C -2.407 174.301 176.600 0.180 0.000 1.022 231 E CA -1.629 54.796 56.400 0.041 0.000 0.887 231 E CB -0.308 29.371 29.700 -0.036 0.000 0.990 231 E HN -0.021 nan 8.360 nan 0.000 0.426 232 P HA 0.212 nan 4.420 nan 0.000 0.271 232 P C -0.891 176.501 177.300 0.154 0.000 1.216 232 P CA -0.496 62.678 63.100 0.122 0.000 0.771 232 P CB 0.690 32.436 31.700 0.076 0.000 0.864 233 L N 2.697 123.987 121.223 0.110 0.000 2.375 233 L HA 0.467 4.806 4.340 -0.001 0.000 0.271 233 L C 1.126 178.033 176.870 0.062 0.000 1.107 233 L CA -0.340 54.541 54.840 0.068 0.000 0.806 233 L CB 0.136 42.163 42.059 -0.054 0.000 1.146 233 L HN 0.438 nan 8.230 nan 0.000 0.447 234 A N 1.155 124.019 122.820 0.073 0.000 2.332 234 A HA 0.642 4.961 4.320 -0.001 0.000 0.258 234 A C 0.471 178.102 177.584 0.079 0.000 1.087 234 A CA 0.162 52.248 52.037 0.082 0.000 0.802 234 A CB 0.014 19.075 19.000 0.102 0.000 1.042 234 A HN 0.765 nan 8.150 nan 0.000 0.489 235 G N -1.452 107.403 108.800 0.090 0.000 2.502 235 G HA2 0.525 4.485 3.960 -0.001 0.000 0.305 235 G HA3 0.525 4.485 3.960 -0.001 0.000 0.305 235 G C -1.286 173.727 174.900 0.189 0.000 1.190 235 G CA -0.259 44.901 45.100 0.100 0.000 0.933 235 G HN 0.968 nan 8.290 nan 0.000 0.503 236 Y N -0.392 119.905 120.300 -0.005 0.000 2.436 236 Y HA 0.536 5.085 4.550 -0.002 0.000 0.327 236 Y C -0.689 175.173 175.900 -0.064 0.000 1.138 236 Y CA -1.104 56.991 58.100 -0.009 0.000 1.042 236 Y CB 1.465 39.928 38.460 0.006 0.000 1.302 236 Y HN 0.833 nan 8.280 nan 0.000 0.439 237 A N 8.363 130.735 122.820 -0.745 0.000 2.258 237 A HA 0.575 4.895 4.320 -0.001 0.000 0.316 237 A C -2.281 174.616 177.584 -1.145 0.000 1.279 237 A CA -1.535 50.045 52.037 -0.762 0.000 0.876 237 A CB 0.718 19.326 19.000 -0.654 0.000 1.170 237 A HN 0.595 nan 8.150 nan 0.000 0.520 238 P HA -0.101 nan 4.420 nan 0.000 0.224 238 P C -0.107 177.067 177.300 -0.209 0.000 1.157 238 P CA 0.694 63.536 63.100 -0.429 0.000 0.799 238 P CB -0.090 31.554 31.700 -0.094 0.000 0.809 239 H N -1.074 117.944 119.070 -0.085 0.000 2.770 239 H HA -0.108 4.447 4.556 -0.001 0.000 0.309 239 H C -0.260 175.092 175.328 0.039 0.000 1.206 239 H CA 0.390 56.418 56.048 -0.033 0.000 1.147 239 H CB -2.434 27.305 29.762 -0.039 0.000 1.422 239 H HN 0.307 nan 8.280 nan 0.000 0.420 240 L N 1.161 122.485 121.223 0.168 0.000 2.325 240 L HA 0.328 4.667 4.340 -0.001 0.000 0.281 240 L C 0.726 177.785 176.870 0.314 0.000 1.004 240 L CA -0.513 54.461 54.840 0.224 0.000 0.823 240 L CB 1.966 44.140 42.059 0.192 0.000 1.236 240 L HN 0.041 nan 8.230 nan 0.000 0.415 241 T N -0.681 114.023 114.554 0.251 0.000 2.902 241 T HA 0.246 4.596 4.350 -0.001 0.000 0.280 241 T C -0.283 174.571 174.700 0.258 0.000 0.992 241 T CA -0.438 61.805 62.100 0.239 0.000 1.015 241 T CB 1.453 70.405 68.868 0.140 0.000 1.044 241 T HN 0.471 nan 8.240 nan 0.000 0.520 242 H N 1.115 120.228 119.070 0.072 0.000 2.541 242 H HA 0.294 4.850 4.556 -0.000 0.000 0.246 242 H C 0.649 175.993 175.328 0.026 0.000 1.341 242 H CA -0.319 55.739 56.048 0.016 0.000 1.469 242 H CB 0.558 30.246 29.762 -0.124 0.000 1.472 242 H HN 0.382 nan 8.280 nan 0.000 0.503 243 V N 3.467 123.355 119.914 -0.044 0.000 2.363 243 V HA -0.355 3.764 4.120 -0.001 0.000 0.254 243 V C 2.621 178.687 176.094 -0.047 0.000 1.074 243 V CA 2.211 64.488 62.300 -0.039 0.000 1.069 243 V CB -0.847 30.983 31.823 0.012 0.000 0.659 243 V HN 0.798 nan 8.190 nan 0.000 0.455 244 A N -0.195 122.534 122.820 -0.151 0.000 2.139 244 A HA -0.158 4.161 4.320 -0.001 0.000 0.221 244 A C 2.073 179.662 177.584 0.008 0.000 1.159 244 A CA 2.263 54.250 52.037 -0.083 0.000 0.662 244 A CB -0.299 18.590 19.000 -0.184 0.000 0.796 244 A HN 0.827 nan 8.150 nan 0.000 0.463 245 S N -4.843 110.877 115.700 0.033 0.000 2.760 245 S HA 0.415 4.884 4.470 -0.001 0.000 0.263 245 S C 1.087 175.713 174.600 0.044 0.000 1.007 245 S CA 0.919 59.155 58.200 0.059 0.000 1.358 245 S CB -0.361 62.900 63.200 0.101 0.000 1.228 245 S HN 1.976 nan 8.310 nan 0.000 0.684 246 G N 1.643 110.466 108.800 0.038 0.000 2.176 246 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.252 246 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.252 246 G C -0.045 174.894 174.900 0.065 0.000 1.024 246 G CA 0.876 45.999 45.100 0.038 0.000 0.755 246 G HN 0.627 nan 8.290 nan 0.000 0.507 247 K N -1.343 119.089 120.400 0.053 0.000 2.401 247 K HA 0.833 5.153 4.320 -0.001 0.000 0.255 247 K C 0.004 176.615 176.600 0.019 0.000 1.062 247 K CA -0.656 55.593 56.287 -0.064 0.000 0.999 247 K CB 0.994 33.383 32.500 -0.185 0.000 1.415 247 K HN 0.494 nan 8.250 nan 0.000 0.576 248 Y N -2.557 117.730 120.300 -0.022 0.000 2.689 248 Y HA 0.379 4.928 4.550 -0.002 0.000 0.333 248 Y C -1.552 174.283 175.900 -0.109 0.000 1.208 248 Y CA -1.429 56.661 58.100 -0.015 0.000 1.055 248 Y CB 0.202 38.678 38.460 0.027 0.000 1.304 248 Y HN 0.318 nan 8.280 nan 0.000 0.455 249 Y N 1.072 121.467 120.300 0.159 0.000 2.393 249 Y HA 0.377 4.926 4.550 -0.002 0.000 0.338 249 Y C 0.889 176.861 175.900 0.120 0.000 1.029 249 Y CA 0.242 58.375 58.100 0.056 0.000 1.239 249 Y CB 1.259 39.743 38.460 0.040 0.000 1.170 249 Y HN 0.679 nan 8.280 nan 0.000 0.515 250 S N 6.319 122.090 115.700 0.118 0.000 2.516 250 S HA 0.145 4.614 4.470 -0.001 0.000 0.282 250 S C -2.180 172.332 174.600 -0.147 0.000 1.286 250 S CA -1.223 56.962 58.200 -0.026 0.000 1.066 250 S CB 0.209 63.123 63.200 -0.477 0.000 0.884 250 S HN 0.370 nan 8.310 nan 0.000 0.491 251 P HA 0.272 nan 4.420 nan 0.000 0.274 251 P C -0.807 176.413 177.300 -0.132 0.000 1.246 251 P CA -0.474 62.532 63.100 -0.157 0.000 0.795 251 P CB 0.466 32.050 31.700 -0.193 0.000 1.006 252 R N 2.061 122.520 120.500 -0.069 0.000 2.451 252 R HA 0.397 4.737 4.340 -0.001 0.000 0.307 252 R C -2.529 173.770 176.300 -0.003 0.000 0.965 252 R CA -2.150 53.945 56.100 -0.008 0.000 0.865 252 R CB 1.269 31.588 30.300 0.031 0.000 1.174 252 R HN 0.361 nan 8.270 nan 0.000 0.455 253 P HA 0.070 nan 4.420 nan 0.000 0.273 253 P C -0.934 176.380 177.300 0.023 0.000 1.250 253 P CA -0.238 62.864 63.100 0.003 0.000 0.793 253 P CB 0.812 32.510 31.700 -0.003 0.000 1.011 254 D N -0.733 119.683 120.400 0.027 0.000 2.339 254 D HA 0.326 4.966 4.640 -0.001 0.000 0.245 254 D C 1.471 177.791 176.300 0.034 0.000 1.115 254 D CA 0.763 54.787 54.000 0.039 0.000 0.917 254 D CB 0.371 41.196 40.800 0.043 0.000 1.192 254 D HN 0.723 nan 8.370 nan 0.000 0.428 255 G N 0.517 109.342 108.800 0.041 0.000 2.176 255 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.232 255 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.232 255 G C 0.256 175.179 174.900 0.037 0.000 0.986 255 G CA -0.256 44.868 45.100 0.039 0.000 0.643 255 G HN 0.410 nan 8.290 nan 0.000 0.522 256 L N 0.895 122.139 121.223 0.035 0.000 2.395 256 L HA 0.541 4.881 4.340 -0.001 0.000 0.269 256 L C 0.544 177.435 176.870 0.036 0.000 1.133 256 L CA -0.484 54.375 54.840 0.031 0.000 0.812 256 L CB 0.915 42.991 42.059 0.028 0.000 1.125 256 L HN 0.044 nan 8.230 nan 0.000 0.452 257 K N 3.303 123.724 120.400 0.034 0.000 2.259 257 K HA 0.490 4.809 4.320 -0.001 0.000 0.252 257 K C -0.871 175.741 176.600 0.020 0.000 0.936 257 K CA -0.956 55.361 56.287 0.051 0.000 0.810 257 K CB 2.201 34.733 32.500 0.055 0.000 1.143 257 K HN 0.428 nan 8.250 nan 0.000 0.427 258 L N 2.622 123.855 121.223 0.017 0.000 2.640 258 L HA -0.028 4.311 4.340 -0.001 0.000 0.280 258 L C 0.524 177.372 176.870 -0.037 0.000 1.229 258 L CA 0.429 55.242 54.840 -0.045 0.000 0.919 258 L CB -0.385 41.631 42.059 -0.071 0.000 1.168 258 L HN 0.475 nan 8.230 nan 0.000 0.496 259 R N 2.045 122.509 120.500 -0.059 0.000 2.888 259 R HA 0.337 4.677 4.340 -0.001 0.000 0.266 259 R C -1.230 175.020 176.300 -0.083 0.000 1.020 259 R CA -0.870 55.198 56.100 -0.053 0.000 0.963 259 R CB 1.109 31.386 30.300 -0.038 0.000 1.197 259 R HN 0.401 nan 8.270 nan 0.000 0.481 260 D N 2.282 122.632 120.400 -0.083 0.000 2.487 260 D HA 0.097 4.737 4.640 -0.001 0.000 0.243 260 D C 0.007 176.240 176.300 -0.111 0.000 1.154 260 D CA 0.576 54.512 54.000 -0.108 0.000 0.876 260 D CB 0.294 41.038 40.800 -0.094 0.000 1.161 260 D HN 0.283 nan 8.370 nan 0.000 0.478 261 L N 0.705 121.846 121.223 -0.137 0.000 2.400 261 L HA 0.391 4.730 4.340 -0.001 0.000 0.264 261 L C 2.072 178.880 176.870 -0.104 0.000 1.061 261 L CA -0.920 53.854 54.840 -0.110 0.000 0.799 261 L CB 0.742 42.746 42.059 -0.093 0.000 1.240 261 L HN 0.437 nan 8.230 nan 0.000 0.461 262 G N -1.009 107.751 108.800 -0.067 0.000 2.432 262 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.219 262 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.219 262 G C 0.906 175.776 174.900 -0.050 0.000 1.135 262 G CA 0.481 45.550 45.100 -0.051 0.000 0.767 262 G HN 0.733 nan 8.290 nan 0.000 0.550 263 D N -0.695 119.682 120.400 -0.039 0.000 2.323 263 D HA 0.151 4.791 4.640 -0.001 0.000 0.209 263 D C 0.126 176.243 176.300 -0.304 0.000 0.973 263 D CA 0.344 54.314 54.000 -0.051 0.000 0.874 263 D CB 0.843 41.727 40.800 0.141 0.000 0.930 263 D HN 0.307 nan 8.370 nan 0.000 0.521 264 I N 0.232 120.546 120.570 -0.427 0.000 2.787 264 I HA 0.124 4.293 4.170 -0.001 0.000 0.294 264 I C -1.421 174.469 176.117 -0.378 0.000 1.365 264 I CA -0.558 60.378 61.300 -0.608 0.000 1.029 264 I CB 2.363 39.538 38.000 -1.376 0.000 1.313 264 I HN -0.336 nan 8.210 nan 0.000 0.431 265 E N 6.058 126.080 120.200 -0.297 0.000 2.214 265 E HA 0.357 4.706 4.350 -0.001 0.000 0.274 265 E C 0.405 176.905 176.600 -0.167 0.000 0.977 265 E CA -0.769 55.518 56.400 -0.188 0.000 0.827 265 E CB 1.554 31.177 29.700 -0.129 0.000 1.130 265 E HN 0.472 nan 8.360 nan 0.000 0.394 266 I N 1.346 121.855 120.570 -0.102 0.000 2.394 266 I HA -0.221 3.948 4.170 -0.001 0.000 0.251 266 I C 2.285 178.426 176.117 0.040 0.000 1.136 266 I CA 1.367 62.649 61.300 -0.029 0.000 1.425 266 I CB -1.461 36.543 38.000 0.006 0.000 1.079 266 I HN 0.452 nan 8.210 nan 0.000 0.425 267 S N 0.031 115.730 115.700 -0.003 0.000 2.474 267 S HA -0.089 4.380 4.470 -0.001 0.000 0.235 267 S C 1.640 176.229 174.600 -0.018 0.000 0.997 267 S CA 0.602 58.800 58.200 -0.004 0.000 0.949 267 S CB -0.381 62.803 63.200 -0.026 0.000 0.766 267 S HN 0.519 nan 8.310 nan 0.000 0.517 268 E N 0.810 120.982 120.200 -0.046 0.000 2.158 268 E HA 0.068 4.417 4.350 -0.001 0.000 0.191 268 E C 1.932 178.524 176.600 -0.014 0.000 0.982 268 E CA 0.898 57.260 56.400 -0.064 0.000 0.823 268 E CB -0.216 29.407 29.700 -0.128 0.000 0.766 268 E HN 0.586 nan 8.360 nan 0.000 0.468 269 M N 0.262 119.889 119.600 0.045 0.000 2.175 269 M HA -0.131 4.349 4.480 -0.001 0.000 0.264 269 M C 2.332 178.801 176.300 0.282 0.000 1.063 269 M CA 0.939 56.362 55.300 0.205 0.000 1.119 269 M CB 0.033 32.799 32.600 0.276 0.000 1.377 269 M HN -0.032 nan 8.290 nan 0.000 0.415 270 V N 0.041 120.066 119.914 0.184 0.000 2.490 270 V HA -0.263 3.856 4.120 -0.001 0.000 0.250 270 V C 2.321 178.395 176.094 -0.033 0.000 1.061 270 V CA 1.745 64.031 62.300 -0.023 0.000 1.064 270 V CB -0.722 31.044 31.823 -0.095 0.000 0.670 270 V HN 0.436 nan 8.190 nan 0.000 0.461 271 R N -0.744 119.742 120.500 -0.022 0.000 2.090 271 R HA -0.066 4.273 4.340 -0.001 0.000 0.228 271 R C 2.300 178.549 176.300 -0.086 0.000 1.110 271 R CA 1.413 57.473 56.100 -0.067 0.000 0.973 271 R CB -0.163 30.091 30.300 -0.076 0.000 0.869 271 R HN 0.430 nan 8.270 nan 0.000 0.440 272 M N -0.576 119.009 119.600 -0.024 0.000 2.132 272 M HA -0.135 4.344 4.480 -0.001 0.000 0.263 272 M C 2.400 178.721 176.300 0.035 0.000 1.065 272 M CA 1.505 56.800 55.300 -0.007 0.000 1.122 272 M CB -0.205 32.448 32.600 0.089 0.000 1.365 272 M HN 0.074 nan 8.290 nan 0.000 0.411 273 R N 0.566 121.119 120.500 0.087 0.000 2.081 273 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 273 R C 1.867 178.168 176.300 0.000 0.000 1.131 273 R CA 1.463 57.614 56.100 0.085 0.000 0.960 273 R CB -0.056 30.340 30.300 0.161 0.000 0.856 273 R HN 0.275 nan 8.270 nan 0.000 0.436 274 E N 0.565 120.748 120.200 -0.029 0.000 2.072 274 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 274 E C 2.137 178.714 176.600 -0.039 0.000 0.985 274 E CA 1.142 57.518 56.400 -0.041 0.000 0.801 274 E CB -0.187 29.480 29.700 -0.055 0.000 0.750 274 E HN 0.327 nan 8.360 nan 0.000 0.452 275 R N 0.305 120.760 120.500 -0.076 0.000 2.096 275 R HA -0.020 4.320 4.340 -0.001 0.000 0.235 275 R C 2.477 178.846 176.300 0.116 0.000 1.127 275 R CA 0.884 56.938 56.100 -0.077 0.000 0.968 275 R CB -0.233 29.801 30.300 -0.443 0.000 0.861 275 R HN 0.181 nan 8.270 nan 0.000 0.440 276 I N 0.120 120.738 120.570 0.081 0.000 2.233 276 I HA -0.257 3.912 4.170 -0.001 0.000 0.243 276 I C 1.908 177.951 176.117 -0.123 0.000 1.093 276 I CA 1.140 62.431 61.300 -0.015 0.000 1.380 276 I CB -0.232 37.701 38.000 -0.111 0.000 1.067 276 I HN 0.116 nan 8.210 nan 0.000 0.413 277 L N 0.345 121.491 121.223 -0.128 0.000 2.079 277 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 277 L C 2.070 178.821 176.870 -0.198 0.000 1.081 277 L CA 1.398 56.114 54.840 -0.207 0.000 0.752 277 L CB -0.681 41.325 42.059 -0.088 0.000 0.896 277 L HN 0.247 nan 8.230 nan 0.000 0.433 278 D N -0.396 119.969 120.400 -0.057 0.000 2.103 278 D HA -0.190 4.449 4.640 -0.001 0.000 0.190 278 D C 2.322 178.560 176.300 -0.102 0.000 0.997 278 D CA 1.725 55.714 54.000 -0.019 0.000 0.833 278 D CB 0.080 40.888 40.800 0.014 0.000 0.961 278 D HN 0.087 nan 8.370 nan 0.000 0.447 279 S N -0.609 115.023 115.700 -0.112 0.000 2.382 279 S HA -0.120 4.350 4.470 -0.001 0.000 0.228 279 S C 2.102 176.560 174.600 -0.237 0.000 1.027 279 S CA 0.538 58.615 58.200 -0.204 0.000 0.991 279 S CB -0.233 62.917 63.200 -0.083 0.000 0.823 279 S HN 0.281 nan 8.310 nan 0.000 0.469 280 I N 0.826 121.246 120.570 -0.250 0.000 2.226 280 I HA -0.204 3.966 4.170 -0.001 0.000 0.245 280 I C 2.216 178.203 176.117 -0.217 0.000 1.100 280 I CA 1.251 62.404 61.300 -0.244 0.000 1.374 280 I CB -0.361 37.413 38.000 -0.376 0.000 1.057 280 I HN 0.328 nan 8.210 nan 0.000 0.413 281 H N 0.100 119.123 119.070 -0.079 0.000 2.495 281 H HA 0.058 4.613 4.556 -0.002 0.000 0.287 281 H C 2.161 177.436 175.328 -0.089 0.000 1.033 281 H CA 0.953 56.957 56.048 -0.073 0.000 1.307 281 H CB 0.071 29.793 29.762 -0.067 0.000 1.401 281 H HN 0.343 nan 8.280 nan 0.000 0.555 282 L N -1.153 120.028 121.223 -0.070 0.000 2.416 282 L HA 0.130 4.469 4.340 -0.001 0.000 0.216 282 L C 1.585 178.391 176.870 -0.107 0.000 1.098 282 L CA 0.694 55.434 54.840 -0.165 0.000 0.840 282 L CB 0.284 42.033 42.059 -0.518 0.000 0.981 282 L HN 0.403 nan 8.230 nan 0.000 0.462 283 G N -0.234 108.509 108.800 -0.095 0.000 2.157 283 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.248 283 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.248 283 G C -0.031 174.916 174.900 0.078 0.000 0.979 283 G CA 0.362 45.479 45.100 0.029 0.000 0.650 283 G HN 0.438 nan 8.290 nan 0.000 0.529 284 Y N -2.742 117.549 120.300 -0.014 0.000 2.625 284 Y HA 0.810 5.359 4.550 -0.000 0.000 0.338 284 Y C -0.736 175.132 175.900 -0.052 0.000 1.123 284 Y CA -1.811 56.269 58.100 -0.033 0.000 1.046 284 Y CB 1.252 39.684 38.460 -0.048 0.000 1.299 284 Y HN 0.416 nan 8.280 nan 0.000 0.464 285 V N 3.303 123.312 119.914 0.159 0.000 2.715 285 V HA 0.514 4.634 4.120 -0.001 0.000 0.310 285 V C -0.514 175.746 176.094 0.277 0.000 1.054 285 V CA -1.078 61.305 62.300 0.138 0.000 0.928 285 V CB 1.946 33.758 31.823 -0.019 0.000 1.007 285 V HN 0.727 nan 8.190 nan 0.000 0.437 286 I N 3.823 124.593 120.570 0.334 0.000 2.321 286 I HA 0.331 4.501 4.170 -0.001 0.000 0.291 286 I C 0.527 176.767 176.117 0.206 0.000 0.998 286 I CA 0.091 61.522 61.300 0.218 0.000 1.227 286 I CB 1.572 39.573 38.000 0.002 0.000 1.368 286 I HN 0.495 nan 8.210 nan 0.000 0.466 287 S N 4.051 119.845 115.700 0.158 0.000 2.603 287 S HA 0.082 4.552 4.470 -0.001 0.000 0.268 287 S C 1.234 175.871 174.600 0.062 0.000 1.317 287 S CA -0.546 57.723 58.200 0.115 0.000 1.012 287 S CB 0.993 64.244 63.200 0.085 0.000 0.926 287 S HN 0.626 nan 8.310 nan 0.000 0.539 288 E N 1.428 121.662 120.200 0.057 0.000 2.187 288 E HA -0.224 4.126 4.350 -0.001 0.000 0.199 288 E C 1.091 177.697 176.600 0.009 0.000 1.004 288 E CA 1.474 57.892 56.400 0.031 0.000 0.813 288 E CB -0.098 29.623 29.700 0.037 0.000 0.736 288 E HN 0.692 nan 8.360 nan 0.000 0.468 289 D N -0.978 119.429 120.400 0.013 0.000 2.319 289 D HA -0.004 4.635 4.640 -0.001 0.000 0.230 289 D C 1.156 177.450 176.300 -0.009 0.000 1.094 289 D CA 0.711 54.712 54.000 0.001 0.000 0.856 289 D CB 0.422 41.224 40.800 0.004 0.000 0.915 289 D HN 0.262 nan 8.370 nan 0.000 0.517 290 G N 1.025 109.820 108.800 -0.008 0.000 2.184 290 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.264 290 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.264 290 G C 0.444 175.355 174.900 0.018 0.000 0.975 290 G CA 0.619 45.713 45.100 -0.010 0.000 0.642 290 G HN 0.745 nan 8.290 nan 0.000 0.536 291 S N -0.666 115.046 115.700 0.020 0.000 2.652 291 S HA 0.621 5.090 4.470 -0.001 0.000 0.270 291 S C -0.084 174.610 174.600 0.156 0.000 1.243 291 S CA -0.541 57.655 58.200 -0.008 0.000 0.999 291 S CB 0.893 64.076 63.200 -0.027 0.000 0.973 291 S HN 0.450 nan 8.310 nan 0.000 0.544 292 H N 0.629 119.665 119.070 -0.056 0.000 2.640 292 H HA 0.330 4.885 4.556 -0.001 0.000 0.297 292 H C -0.141 175.198 175.328 0.019 0.000 1.073 292 H CA -0.682 55.342 56.048 -0.040 0.000 1.305 292 H CB 0.724 30.298 29.762 -0.315 0.000 1.404 292 H HN 0.432 nan 8.280 nan 0.000 0.459 293 K N 2.488 122.998 120.400 0.184 0.000 2.205 293 K HA 0.175 4.495 4.320 -0.001 0.000 0.279 293 K C -0.156 176.535 176.600 0.152 0.000 1.027 293 K CA -0.420 55.943 56.287 0.127 0.000 0.932 293 K CB 1.200 33.755 32.500 0.091 0.000 1.032 293 K HN 0.491 nan 8.250 nan 0.000 0.466 294 T N 3.333 117.964 114.554 0.128 0.000 2.889 294 T HA 0.216 4.566 4.350 -0.001 0.000 0.291 294 T C 0.457 175.221 174.700 0.106 0.000 0.995 294 T CA -0.495 61.690 62.100 0.141 0.000 1.092 294 T CB 0.433 69.373 68.868 0.120 0.000 0.954 294 T HN 0.348 nan 8.240 nan 0.000 0.506 295 L N 5.148 126.430 121.223 0.098 0.000 2.423 295 L HA 0.192 4.531 4.340 -0.001 0.000 0.249 295 L C 1.252 178.209 176.870 0.145 0.000 1.276 295 L CA -0.594 54.288 54.840 0.069 0.000 1.199 295 L CB -0.590 41.489 42.059 0.035 0.000 1.407 295 L HN 0.738 nan 8.230 nan 0.000 0.410 296 D N 0.279 120.746 120.400 0.112 0.000 2.371 296 D HA -0.032 4.608 4.640 -0.001 0.000 0.242 296 D C 0.438 176.793 176.300 0.091 0.000 1.218 296 D CA -0.456 53.598 54.000 0.089 0.000 0.945 296 D CB 1.248 42.086 40.800 0.064 0.000 1.137 296 D HN 0.371 nan 8.370 nan 0.000 0.464 297 E N -0.385 119.836 120.200 0.035 0.000 2.204 297 E HA -0.086 4.264 4.350 -0.001 0.000 0.194 297 E C 1.983 178.564 176.600 -0.031 0.000 0.989 297 E CA 0.314 56.725 56.400 0.018 0.000 0.824 297 E CB 0.071 29.760 29.700 -0.018 0.000 0.756 297 E HN 0.422 nan 8.360 nan 0.000 0.477 298 L N 0.048 121.181 121.223 -0.149 0.000 1.993 298 L HA -0.165 4.175 4.340 -0.001 0.000 0.206 298 L C 1.711 178.362 176.870 -0.364 0.000 1.074 298 L CA 1.636 56.262 54.840 -0.357 0.000 0.746 298 L CB -0.057 41.586 42.059 -0.692 0.000 0.896 298 L HN 0.219 nan 8.230 nan 0.000 0.435 299 H N -2.035 117.055 119.070 0.033 0.000 2.586 299 H HA 0.160 4.716 4.556 -0.001 0.000 0.273 299 H C 1.897 177.215 175.328 -0.016 0.000 0.997 299 H CA 0.351 56.407 56.048 0.014 0.000 1.177 299 H CB 0.054 29.823 29.762 0.011 0.000 1.471 299 H HN 0.340 nan 8.280 nan 0.000 0.538 300 G N 0.686 109.516 108.800 0.050 0.000 2.476 300 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.218 300 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.218 300 G C 1.635 176.338 174.900 -0.328 0.000 1.164 300 G CA 1.645 46.665 45.100 -0.133 0.000 0.768 300 G HN 0.341 nan 8.290 nan 0.000 0.560 301 T N 0.319 114.792 114.554 -0.135 0.000 2.788 301 T HA -0.093 4.257 4.350 -0.001 0.000 0.268 301 T C 1.984 176.686 174.700 0.004 0.000 1.044 301 T CA 1.559 63.609 62.100 -0.085 0.000 1.139 301 T CB -0.234 68.644 68.868 0.016 0.000 0.867 301 T HN 0.369 nan 8.240 nan 0.000 0.454 302 D N 0.873 121.291 120.400 0.029 0.000 2.097 302 D HA -0.003 4.636 4.640 -0.001 0.000 0.197 302 D C 1.997 178.323 176.300 0.043 0.000 0.984 302 D CA 0.704 54.742 54.000 0.063 0.000 0.826 302 D CB -0.309 40.539 40.800 0.080 0.000 0.973 302 D HN 0.333 nan 8.370 nan 0.000 0.460 303 I N -0.060 120.507 120.570 -0.006 0.000 2.163 303 I HA -0.237 3.933 4.170 -0.001 0.000 0.243 303 I C 2.315 178.378 176.117 -0.091 0.000 1.085 303 I CA 0.621 61.894 61.300 -0.046 0.000 1.347 303 I CB -0.243 37.715 38.000 -0.071 0.000 1.044 303 I HN 0.144 nan 8.210 nan 0.000 0.408 304 L N 1.002 122.136 121.223 -0.148 0.000 2.083 304 L HA -0.081 4.258 4.340 -0.001 0.000 0.209 304 L C 2.346 179.242 176.870 0.043 0.000 1.083 304 L CA 2.105 56.833 54.840 -0.187 0.000 0.752 304 L CB -1.075 40.780 42.059 -0.339 0.000 0.899 304 L HN 0.196 nan 8.230 nan 0.000 0.433 305 G N -1.318 107.656 108.800 0.290 0.000 2.422 305 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.218 305 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.218 305 G C 1.586 176.578 174.900 0.153 0.000 1.146 305 G CA 0.700 46.075 45.100 0.459 0.000 0.769 305 G HN 0.590 nan 8.290 nan 0.000 0.547 306 A N 0.799 123.661 122.820 0.071 0.000 1.930 306 A HA 0.134 4.453 4.320 -0.001 0.000 0.217 306 A C 2.292 179.870 177.584 -0.010 0.000 1.175 306 A CA 1.671 53.723 52.037 0.024 0.000 0.627 306 A CB -0.306 18.720 19.000 0.043 0.000 0.815 306 A HN 0.739 nan 8.150 nan 0.000 0.443 307 L N -3.219 117.976 121.223 -0.048 0.000 2.567 307 L HA 0.265 4.605 4.340 -0.001 0.000 0.225 307 L C 1.616 178.445 176.870 -0.067 0.000 1.119 307 L CA 0.770 55.571 54.840 -0.066 0.000 0.871 307 L CB -0.421 41.522 42.059 -0.194 0.000 1.036 307 L HN -0.033 nan 8.230 nan 0.000 0.459 308 V N 0.054 119.923 119.914 -0.075 0.000 2.426 308 V HA -0.079 4.041 4.120 -0.001 0.000 0.242 308 V C 2.665 178.758 176.094 -0.001 0.000 1.036 308 V CA 1.596 63.863 62.300 -0.055 0.000 1.044 308 V CB 0.014 31.760 31.823 -0.128 0.000 0.688 308 V HN 0.607 nan 8.190 nan 0.000 0.462 309 E N 0.376 120.452 120.200 -0.207 0.000 2.031 309 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 309 E C 0.342 176.920 176.600 -0.037 0.000 0.994 309 E CA 1.211 57.356 56.400 -0.426 0.000 0.800 309 E CB 0.124 29.079 29.700 -1.241 0.000 0.752 309 E HN 0.425 nan 8.360 nan 0.000 0.447 310 S N -0.459 115.200 115.700 -0.068 0.000 3.027 310 S HA -0.102 4.367 4.470 -0.001 0.000 0.809 310 S C -0.590 174.044 174.600 0.056 0.000 0.729 310 S CA 0.208 58.434 58.200 0.043 0.000 1.515 310 S CB -0.944 62.329 63.200 0.121 0.000 1.062 310 S HN 0.601 nan 8.310 nan 0.000 0.682 311 S N 3.905 119.646 115.700 0.067 0.000 2.739 311 S HA 0.718 5.188 4.470 -0.001 0.000 0.306 311 S C 0.547 175.242 174.600 0.159 0.000 1.115 311 S CA -0.582 57.695 58.200 0.128 0.000 0.985 311 S CB 0.883 64.161 63.200 0.129 0.000 1.133 311 S HN 0.874 nan 8.310 nan 0.000 0.541 312 Y N 1.015 121.372 120.300 0.096 0.000 2.274 312 Y HA -0.038 4.512 4.550 -0.001 0.000 0.290 312 Y C 1.898 177.850 175.900 0.087 0.000 1.145 312 Y CA 1.992 60.138 58.100 0.076 0.000 1.203 312 Y CB -0.296 38.215 38.460 0.085 0.000 0.984 312 Y HN 0.813 nan 8.280 nan 0.000 0.533 313 E N -0.100 120.198 120.200 0.163 0.000 2.512 313 E HA -0.032 4.317 4.350 -0.001 0.000 0.195 313 E C 0.551 177.173 176.600 0.036 0.000 1.083 313 E CA 0.195 56.656 56.400 0.101 0.000 0.873 313 E CB -0.046 29.757 29.700 0.172 0.000 0.897 313 E HN 0.137 nan 8.360 nan 0.000 0.514 314 S N 0.713 116.427 115.700 0.023 0.000 2.537 314 S HA -0.012 4.458 4.470 -0.001 0.000 0.286 314 S C 1.507 176.135 174.600 0.046 0.000 1.299 314 S CA -0.375 57.851 58.200 0.044 0.000 1.067 314 S CB 1.102 64.360 63.200 0.095 0.000 0.864 314 S HN 0.216 nan 8.310 nan 0.000 0.494 315 V N 2.418 122.369 119.914 0.062 0.000 2.759 315 V HA 0.131 4.250 4.120 -0.001 0.000 0.256 315 V C 0.707 176.886 176.094 0.141 0.000 1.080 315 V CA 1.666 64.017 62.300 0.085 0.000 1.101 315 V CB -1.276 30.598 31.823 0.085 0.000 0.698 315 V HN 0.897 nan 8.190 nan 0.000 0.477 316 N N -0.879 117.957 118.700 0.226 0.000 2.932 316 N HA 0.153 4.892 4.740 -0.001 0.000 0.242 316 N C 0.560 176.235 175.510 0.276 0.000 1.351 316 N CA -0.285 52.913 53.050 0.247 0.000 0.785 316 N CB 0.441 39.098 38.487 0.282 0.000 1.501 316 N HN 0.353 nan 8.380 nan 0.000 0.584 317 H N 2.577 121.720 119.070 0.122 0.000 2.395 317 H HA 0.043 4.598 4.556 -0.001 0.000 0.299 317 H C 0.740 176.136 175.328 0.113 0.000 1.070 317 H CA 1.519 57.633 56.048 0.110 0.000 1.356 317 H CB 0.716 30.505 29.762 0.044 0.000 1.401 317 H HN 0.617 nan 8.280 nan 0.000 0.524 318 E N -0.405 119.890 120.200 0.157 0.000 2.204 318 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 318 E C 1.598 178.231 176.600 0.054 0.000 0.990 318 E CA 0.787 57.252 56.400 0.108 0.000 0.821 318 E CB -0.062 29.711 29.700 0.122 0.000 0.750 318 E HN 0.523 nan 8.360 nan 0.000 0.477 319 Y N -0.608 119.612 120.300 -0.134 0.000 2.314 319 Y HA -0.075 4.475 4.550 0.000 0.000 0.294 319 Y C 1.551 177.246 175.900 -0.342 0.000 1.139 319 Y CA 0.908 58.836 58.100 -0.287 0.000 1.162 319 Y CB -0.128 38.057 38.460 -0.458 0.000 1.121 319 Y HN -0.094 nan 8.280 nan 0.000 0.529 320 Y N 0.398 120.675 120.300 -0.038 0.000 2.544 320 Y HA 0.288 4.837 4.550 -0.002 0.000 0.286 320 Y C 1.746 177.559 175.900 -0.145 0.000 1.141 320 Y CA 0.496 58.519 58.100 -0.128 0.000 1.299 320 Y CB -0.419 38.021 38.460 -0.034 0.000 1.030 320 Y HN 0.296 nan 8.280 nan 0.000 0.543 321 G N 1.119 109.847 108.800 -0.119 0.000 2.509 321 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.259 321 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.259 321 G C -0.196 174.595 174.900 -0.182 0.000 1.169 321 G CA 0.210 45.177 45.100 -0.221 0.000 0.953 321 G HN 0.392 nan 8.290 nan 0.000 0.563 322 N N -0.515 118.239 118.700 0.091 0.000 2.666 322 N HA 0.346 5.086 4.740 -0.001 0.000 0.253 322 N C 0.902 176.566 175.510 0.258 0.000 1.621 322 N CA 0.378 53.500 53.050 0.121 0.000 0.785 322 N CB 0.427 38.915 38.487 0.001 0.000 1.332 322 N HN 0.678 nan 8.380 nan 0.000 0.514 323 L N 1.414 122.807 121.223 0.283 0.000 1.955 323 L HA -0.100 4.240 4.340 -0.001 0.000 0.213 323 L C 2.356 179.537 176.870 0.519 0.000 1.072 323 L CA 2.100 57.180 54.840 0.401 0.000 0.755 323 L CB -0.929 41.327 42.059 0.329 0.000 0.888 323 L HN 0.658 nan 8.230 nan 0.000 0.432 324 H N -0.563 118.719 119.070 0.354 0.000 2.319 324 H HA -0.196 4.360 4.556 -0.001 0.000 0.297 324 H C 1.776 177.407 175.328 0.505 0.000 1.097 324 H CA 2.215 58.542 56.048 0.465 0.000 1.285 324 H CB -0.060 29.902 29.762 0.333 0.000 1.368 324 H HN 0.427 nan 8.280 nan 0.000 0.495 325 N N 0.097 118.933 118.700 0.226 0.000 2.331 325 N HA -0.123 4.617 4.740 -0.001 0.000 0.180 325 N C 1.845 177.357 175.510 0.004 0.000 1.019 325 N CA 0.831 53.930 53.050 0.081 0.000 0.881 325 N CB -0.674 37.870 38.487 0.094 0.000 0.972 325 N HN 0.518 nan 8.380 nan 0.000 0.435 326 W N 0.868 122.192 121.300 0.040 0.000 2.584 326 W HA 0.089 4.750 4.660 0.001 0.000 0.264 326 W C 2.249 178.620 176.519 -0.247 0.000 1.264 326 W CA 0.393 57.696 57.345 -0.071 0.000 1.306 326 W CB -0.085 29.358 29.460 -0.029 0.000 1.110 326 W HN 0.079 nan 8.180 nan 0.000 0.606 327 G N -0.859 107.854 108.800 -0.146 0.000 2.402 327 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 327 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 327 G C 1.222 175.524 174.900 -0.996 0.000 1.162 327 G CA 0.811 45.270 45.100 -1.067 0.000 0.777 327 G HN 0.272 nan 8.290 nan 0.000 0.539 328 H N 0.047 118.658 119.070 -0.765 0.000 2.352 328 H HA -0.077 4.479 4.556 0.000 0.000 0.299 328 H C 2.808 177.902 175.328 -0.389 0.000 1.097 328 H CA 1.625 57.264 56.048 -0.682 0.000 1.311 328 H CB -0.066 29.064 29.762 -1.053 0.000 1.377 328 H HN 0.203 nan 8.280 nan 0.000 0.504 329 V N 0.657 120.521 119.914 -0.084 0.000 2.323 329 V HA -0.206 3.913 4.120 -0.001 0.000 0.244 329 V C 2.754 178.831 176.094 -0.028 0.000 1.041 329 V CA 2.136 64.457 62.300 0.035 0.000 1.025 329 V CB -0.767 31.185 31.823 0.216 0.000 0.656 329 V HN 0.616 nan 8.190 nan 0.000 0.451 330 T N -2.509 111.973 114.554 -0.120 0.000 2.951 330 T HA -0.100 4.249 4.350 -0.001 0.000 0.268 330 T C 1.771 176.332 174.700 -0.232 0.000 1.073 330 T CA 1.281 63.273 62.100 -0.180 0.000 1.134 330 T CB -0.260 68.460 68.868 -0.248 0.000 0.884 330 T HN 0.331 nan 8.240 nan 0.000 0.479 331 M N 0.862 120.257 119.600 -0.340 0.000 2.287 331 M HA 0.274 4.753 4.480 -0.001 0.000 0.266 331 M C 2.895 179.106 176.300 -0.148 0.000 1.079 331 M CA 1.185 56.288 55.300 -0.328 0.000 1.146 331 M CB -0.303 31.988 32.600 -0.516 0.000 1.374 331 M HN 0.439 nan 8.290 nan 0.000 0.435 332 A N 0.730 123.493 122.820 -0.096 0.000 1.969 332 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 332 A C 1.773 179.436 177.584 0.132 0.000 1.169 332 A CA 1.123 53.180 52.037 0.033 0.000 0.635 332 A CB -0.271 18.763 19.000 0.056 0.000 0.810 332 A HN 0.416 nan 8.150 nan 0.000 0.445 333 R N -0.425 120.106 120.500 0.052 0.000 2.552 333 R HA 0.343 4.682 4.340 -0.001 0.000 0.314 333 R C 1.071 177.300 176.300 -0.118 0.000 1.041 333 R CA -0.105 55.986 56.100 -0.015 0.000 1.076 333 R CB -0.783 29.483 30.300 -0.058 0.000 1.290 333 R HN 0.582 nan 8.270 nan 0.000 0.563 334 I N 2.589 123.161 120.570 0.002 0.000 2.567 334 I HA -0.275 3.895 4.170 -0.001 0.000 0.257 334 I C 2.081 178.194 176.117 -0.007 0.000 1.184 334 I CA 1.394 62.681 61.300 -0.023 0.000 1.451 334 I CB 0.046 38.033 38.000 -0.022 0.000 1.089 334 I HN 0.274 nan 8.210 nan 0.000 0.441 335 H N -1.003 118.078 119.070 0.019 0.000 2.548 335 H HA 0.051 4.606 4.556 -0.002 0.000 0.268 335 H C -0.086 175.317 175.328 0.126 0.000 0.975 335 H CA 0.539 56.614 56.048 0.045 0.000 1.195 335 H CB -0.230 29.551 29.762 0.031 0.000 1.397 335 H HN 0.309 nan 8.280 nan 0.000 0.572 336 D N 0.157 120.267 120.400 -0.483 0.000 3.118 336 D HA 0.213 4.853 4.640 -0.001 0.000 0.286 336 D C -2.106 174.071 176.300 -0.204 0.000 1.255 336 D CA -1.685 52.197 54.000 -0.197 0.000 0.748 336 D CB 0.789 41.450 40.800 -0.232 0.000 1.332 336 D HN -0.047 nan 8.370 nan 0.000 0.575 337 P HA -0.089 nan 4.420 nan 0.000 0.216 337 P C 0.513 177.741 177.300 -0.120 0.000 1.150 337 P CA 1.253 64.281 63.100 -0.120 0.000 0.843 337 P CB 0.237 31.883 31.700 -0.090 0.000 0.787 338 D N -3.465 116.848 120.400 -0.146 0.000 2.440 338 D HA 0.211 4.851 4.640 -0.001 0.000 0.216 338 D C 1.315 177.498 176.300 -0.195 0.000 1.150 338 D CA 0.133 54.042 54.000 -0.151 0.000 0.832 338 D CB -0.556 40.156 40.800 -0.147 0.000 0.992 338 D HN 0.183 nan 8.370 nan 0.000 0.502 339 G N 2.059 110.722 108.800 -0.228 0.000 2.234 339 G HA2 -0.473 3.487 3.960 -0.001 0.000 0.260 339 G HA3 -0.473 3.487 3.960 -0.001 0.000 0.260 339 G C 1.331 175.925 174.900 -0.509 0.000 0.987 339 G CA 0.504 45.427 45.100 -0.295 0.000 0.625 339 G HN 0.588 nan 8.290 nan 0.000 0.532 340 R N -0.458 119.729 120.500 -0.521 0.000 2.211 340 R HA 0.067 4.406 4.340 -0.001 0.000 0.240 340 R C 1.790 177.764 176.300 -0.543 0.000 1.144 340 R CA 2.031 57.777 56.100 -0.590 0.000 0.992 340 R CB -0.473 29.458 30.300 -0.615 0.000 0.869 340 R HN 0.408 nan 8.270 nan 0.000 0.462 341 F N 0.583 120.434 119.950 -0.164 0.000 2.776 341 F HA 0.212 4.737 4.527 -0.004 0.000 0.300 341 F C 0.297 176.143 175.800 0.076 0.000 1.116 341 F CA -0.271 57.729 58.000 0.000 0.000 1.375 341 F CB -0.325 38.683 39.000 0.013 0.000 1.109 341 F HN 0.077 nan 8.300 nan 0.000 0.585 342 H N 0.138 119.265 119.070 0.096 0.000 2.655 342 H HA -0.162 4.394 4.556 -0.000 0.000 0.313 342 H C -0.087 175.272 175.328 0.052 0.000 1.141 342 H CA 0.525 56.601 56.048 0.047 0.000 1.138 342 H CB -1.401 28.378 29.762 0.028 0.000 1.446 342 H HN 0.294 nan 8.280 nan 0.000 0.415 343 E N 1.448 121.741 120.200 0.155 0.000 2.231 343 E HA 0.186 4.535 4.350 -0.001 0.000 0.277 343 E C 0.887 177.558 176.600 0.118 0.000 0.999 343 E CA -0.530 55.958 56.400 0.146 0.000 0.827 343 E CB 1.267 31.159 29.700 0.320 0.000 1.101 343 E HN 0.227 nan 8.360 nan 0.000 0.393 344 E N 2.621 122.812 120.200 -0.014 0.000 2.392 344 E HA 0.190 4.540 4.350 -0.001 0.000 0.256 344 E C -1.959 174.687 176.600 0.077 0.000 1.145 344 E CA -1.692 54.673 56.400 -0.058 0.000 0.929 344 E CB -0.181 29.366 29.700 -0.255 0.000 0.998 344 E HN 0.255 nan 8.360 nan 0.000 0.442 345 P HA 0.027 nan 4.420 nan 0.000 0.271 345 P C 0.164 177.552 177.300 0.147 0.000 1.244 345 P CA -0.143 63.055 63.100 0.163 0.000 0.793 345 P CB 0.456 32.205 31.700 0.082 0.000 0.984 346 G N -0.547 108.357 108.800 0.173 0.000 2.563 346 G HA2 0.179 4.138 3.960 -0.001 0.000 0.283 346 G HA3 0.179 4.138 3.960 -0.001 0.000 0.283 346 G C 1.063 176.129 174.900 0.277 0.000 1.309 346 G CA -0.599 44.600 45.100 0.166 0.000 1.022 346 G HN 0.317 nan 8.290 nan 0.000 0.501 347 V N 0.529 120.552 119.914 0.182 0.000 2.867 347 V HA -0.115 4.004 4.120 -0.001 0.000 0.260 347 V C 2.627 178.776 176.094 0.092 0.000 1.099 347 V CA 1.228 63.530 62.300 0.004 0.000 1.122 347 V CB -0.325 31.466 31.823 -0.054 0.000 0.708 347 V HN 0.528 nan 8.190 nan 0.000 0.490 348 M N -0.013 119.661 119.600 0.123 0.000 2.476 348 M HA -0.039 4.440 4.480 -0.001 0.000 0.262 348 M C 2.248 178.704 176.300 0.261 0.000 1.079 348 M CA 1.627 57.021 55.300 0.157 0.000 1.104 348 M CB -0.920 31.678 32.600 -0.004 0.000 1.409 348 M HN 0.623 nan 8.290 nan 0.000 0.467 349 S N -1.423 114.427 115.700 0.250 0.000 2.603 349 S HA 0.023 4.493 4.470 -0.001 0.000 0.220 349 S C 0.489 175.315 174.600 0.376 0.000 0.967 349 S CA -0.161 58.218 58.200 0.300 0.000 0.920 349 S CB 0.114 63.402 63.200 0.146 0.000 0.773 349 S HN 0.357 nan 8.310 nan 0.000 0.529 350 D N 1.195 121.829 120.400 0.390 0.000 2.646 350 D HA 0.283 4.923 4.640 -0.001 0.000 0.245 350 D C 0.865 177.385 176.300 0.367 0.000 1.099 350 D CA -0.145 54.055 54.000 0.334 0.000 0.849 350 D CB 2.366 43.353 40.800 0.312 0.000 1.448 350 D HN 0.133 nan 8.370 nan 0.000 0.489 351 T N -0.456 114.272 114.554 0.290 0.000 3.055 351 T HA -0.040 4.309 4.350 -0.001 0.000 0.265 351 T C 1.393 176.258 174.700 0.275 0.000 1.111 351 T CA 0.555 62.745 62.100 0.149 0.000 1.118 351 T CB 0.015 68.797 68.868 -0.144 0.000 0.909 351 T HN 0.196 nan 8.240 nan 0.000 0.501 352 S N 1.555 117.448 115.700 0.322 0.000 2.527 352 S HA 0.047 4.516 4.470 -0.001 0.000 0.222 352 S C 1.945 176.471 174.600 -0.123 0.000 0.985 352 S CA 0.797 59.077 58.200 0.133 0.000 0.921 352 S CB -0.169 62.999 63.200 -0.053 0.000 0.772 352 S HN 0.882 nan 8.310 nan 0.000 0.529 353 T N -1.612 112.906 114.554 -0.060 0.000 3.009 353 T HA 0.116 4.465 4.350 -0.001 0.000 0.267 353 T C 1.664 176.312 174.700 -0.086 0.000 0.942 353 T CA 0.449 62.433 62.100 -0.193 0.000 0.883 353 T CB -0.288 68.316 68.868 -0.440 0.000 1.192 353 T HN 0.317 nan 8.240 nan 0.000 0.524 354 S N 2.011 117.756 115.700 0.075 0.000 2.442 354 S HA 0.081 4.550 4.470 -0.001 0.000 0.236 354 S C 1.845 176.299 174.600 -0.244 0.000 1.007 354 S CA 0.431 58.682 58.200 0.085 0.000 0.965 354 S CB -0.935 62.537 63.200 0.454 0.000 0.773 354 S HN 0.492 nan 8.310 nan 0.000 0.504 355 L N 0.683 121.618 121.223 -0.480 0.000 2.362 355 L HA 0.065 4.405 4.340 -0.001 0.000 0.219 355 L C 2.882 179.557 176.870 -0.326 0.000 1.134 355 L CA 0.696 55.064 54.840 -0.787 0.000 0.807 355 L CB -0.350 41.336 42.059 -0.622 0.000 0.927 355 L HN 0.313 nan 8.230 nan 0.000 0.447 356 R N -0.540 119.824 120.500 -0.226 0.000 2.148 356 R HA -0.074 4.265 4.340 -0.001 0.000 0.227 356 R C 0.523 176.556 176.300 -0.445 0.000 1.103 356 R CA 0.458 56.453 56.100 -0.176 0.000 0.983 356 R CB -0.235 30.023 30.300 -0.070 0.000 0.874 356 R HN 0.183 nan 8.270 nan 0.000 0.451 357 D N 0.464 120.583 120.400 -0.468 0.000 2.295 357 D HA 0.080 4.719 4.640 -0.001 0.000 0.248 357 D C -1.802 174.345 176.300 -0.256 0.000 1.154 357 D CA -2.479 51.134 54.000 -0.645 0.000 0.857 357 D CB 1.680 42.308 40.800 -0.287 0.000 1.117 357 D HN -0.180 nan 8.370 nan 0.000 0.468 358 P HA -0.135 nan 4.420 nan 0.000 0.217 358 P C 1.265 178.657 177.300 0.153 0.000 1.148 358 P CA 1.071 64.239 63.100 0.113 0.000 0.828 358 P CB -0.034 31.729 31.700 0.105 0.000 0.783 359 I N -5.447 115.139 120.570 0.025 0.000 3.176 359 I HA -0.045 4.124 4.170 -0.001 0.000 0.275 359 I C 2.047 178.153 176.117 -0.018 0.000 1.298 359 I CA 0.832 62.128 61.300 -0.007 0.000 1.445 359 I CB -1.224 36.693 38.000 -0.138 0.000 1.075 359 I HN -0.209 nan 8.210 nan 0.000 0.482 360 F N 1.786 121.599 119.950 -0.230 0.000 2.126 360 F HA -0.233 4.294 4.527 -0.001 0.000 0.299 360 F C 2.039 177.668 175.800 -0.285 0.000 1.096 360 F CA 1.677 59.474 58.000 -0.338 0.000 1.255 360 F CB -0.369 38.203 39.000 -0.714 0.000 0.997 360 F HN 0.015 nan 8.300 nan 0.000 0.479 361 Y N 0.275 120.629 120.300 0.089 0.000 2.373 361 Y HA -0.127 4.422 4.550 -0.002 0.000 0.293 361 Y C 2.363 178.296 175.900 0.055 0.000 1.129 361 Y CA 1.144 59.234 58.100 -0.016 0.000 1.226 361 Y CB -1.009 37.234 38.460 -0.362 0.000 1.000 361 Y HN 0.108 nan 8.280 nan 0.000 0.549 362 N N -0.549 118.281 118.700 0.217 0.000 2.106 362 N HA -0.236 4.504 4.740 -0.001 0.000 0.188 362 N C 1.829 177.513 175.510 0.290 0.000 1.029 362 N CA 1.289 54.492 53.050 0.255 0.000 0.848 362 N CB -0.877 37.762 38.487 0.255 0.000 1.007 362 N HN 0.531 nan 8.380 nan 0.000 0.423 363 W N 1.725 123.015 121.300 -0.016 0.000 2.358 363 W HA -0.179 4.479 4.660 -0.003 0.000 0.303 363 W C 1.335 177.811 176.519 -0.073 0.000 1.208 363 W CA 1.218 58.520 57.345 -0.070 0.000 1.274 363 W CB -0.186 29.061 29.460 -0.355 0.000 1.138 363 W HN 0.274 nan 8.180 nan 0.000 0.515 364 H N -0.557 118.353 119.070 -0.265 0.000 2.529 364 H HA -0.005 4.551 4.556 -0.001 0.000 0.277 364 H C 1.947 177.187 175.328 -0.147 0.000 0.999 364 H CA 1.228 57.085 56.048 -0.317 0.000 1.256 364 H CB -0.012 29.473 29.762 -0.462 0.000 1.402 364 H HN -0.090 nan 8.280 nan 0.000 0.566 365 R N -0.219 120.313 120.500 0.054 0.000 2.127 365 R HA -0.010 4.330 4.340 -0.001 0.000 0.217 365 R C 1.675 177.992 176.300 0.029 0.000 1.074 365 R CA 0.498 56.637 56.100 0.064 0.000 0.991 365 R CB -0.558 29.812 30.300 0.116 0.000 0.895 365 R HN 0.295 nan 8.270 nan 0.000 0.450 366 F N 0.372 120.266 119.950 -0.093 0.000 2.102 366 F HA -0.124 4.405 4.527 0.004 0.000 0.298 366 F C 1.523 177.192 175.800 -0.218 0.000 1.105 366 F CA 1.311 59.234 58.000 -0.128 0.000 1.239 366 F CB -0.177 38.739 39.000 -0.139 0.000 0.991 366 F HN -0.087 nan 8.300 nan 0.000 0.474 367 I N 0.715 120.895 120.570 -0.650 0.000 2.315 367 I HA -0.225 3.945 4.170 -0.001 0.000 0.248 367 I C 2.052 178.061 176.117 -0.181 0.000 1.117 367 I CA 1.639 62.579 61.300 -0.601 0.000 1.404 367 I CB -1.517 36.214 38.000 -0.449 0.000 1.071 367 I HN 0.223 nan 8.210 nan 0.000 0.419 368 D N 1.073 121.456 120.400 -0.029 0.000 2.219 368 D HA -0.174 4.466 4.640 -0.001 0.000 0.205 368 D C 1.802 178.188 176.300 0.144 0.000 0.970 368 D CA 0.997 55.112 54.000 0.192 0.000 0.851 368 D CB 0.015 40.876 40.800 0.103 0.000 0.943 368 D HN 0.112 nan 8.370 nan 0.000 0.488 369 N N -0.163 118.512 118.700 -0.043 0.000 2.244 369 N HA -0.056 4.684 4.740 -0.001 0.000 0.183 369 N C 1.831 177.290 175.510 -0.085 0.000 1.016 369 N CA 0.440 53.471 53.050 -0.032 0.000 0.866 369 N CB -0.112 38.331 38.487 -0.072 0.000 0.980 369 N HN 0.366 nan 8.380 nan 0.000 0.430 370 I N -0.269 120.125 120.570 -0.293 0.000 2.179 370 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 370 I C 1.446 177.376 176.117 -0.312 0.000 1.088 370 I CA 1.040 62.104 61.300 -0.393 0.000 1.357 370 I CB -0.261 37.359 38.000 -0.632 0.000 1.051 370 I HN -0.023 nan 8.210 nan 0.000 0.409 371 F N -0.284 119.602 119.950 -0.106 0.000 2.216 371 F HA -0.224 4.302 4.527 -0.001 0.000 0.300 371 F C 2.634 178.393 175.800 -0.068 0.000 1.085 371 F CA 1.545 59.462 58.000 -0.139 0.000 1.326 371 F CB -0.870 37.948 39.000 -0.304 0.000 1.027 371 F HN 0.198 nan 8.300 nan 0.000 0.497 372 H N -0.021 119.100 119.070 0.085 0.000 2.428 372 H HA -0.125 4.431 4.556 -0.001 0.000 0.296 372 H C 2.051 177.367 175.328 -0.021 0.000 1.062 372 H CA 1.583 57.652 56.048 0.036 0.000 1.350 372 H CB 0.168 29.959 29.762 0.048 0.000 1.403 372 H HN 0.257 nan 8.280 nan 0.000 0.533 373 E N 0.180 120.379 120.200 -0.002 0.000 2.106 373 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 373 E C 2.068 178.602 176.600 -0.110 0.000 0.984 373 E CA 1.139 57.503 56.400 -0.061 0.000 0.806 373 E CB -0.500 29.166 29.700 -0.056 0.000 0.750 373 E HN 0.522 nan 8.360 nan 0.000 0.458 374 Y N 1.110 121.297 120.300 -0.189 0.000 2.184 374 Y HA -0.069 4.480 4.550 -0.002 0.000 0.290 374 Y C 1.605 177.407 175.900 -0.165 0.000 1.129 374 Y CA 1.562 59.551 58.100 -0.185 0.000 1.144 374 Y CB -0.031 38.316 38.460 -0.189 0.000 0.995 374 Y HN -0.121 nan 8.280 nan 0.000 0.513 375 K N 0.691 120.813 120.400 -0.464 0.000 2.211 375 K HA -0.179 4.140 4.320 -0.001 0.000 0.204 375 K C 1.539 177.875 176.600 -0.440 0.000 1.047 375 K CA 1.469 57.462 56.287 -0.489 0.000 0.935 375 K CB -0.641 31.704 32.500 -0.258 0.000 0.728 375 K HN 0.609 nan 8.250 nan 0.000 0.452 376 N N 0.516 118.980 118.700 -0.392 0.000 2.512 376 N HA -0.085 4.654 4.740 -0.001 0.000 0.183 376 N C 1.242 176.613 175.510 -0.231 0.000 1.073 376 N CA 1.047 53.916 53.050 -0.301 0.000 0.911 376 N CB 0.128 38.450 38.487 -0.275 0.000 0.964 376 N HN 0.297 nan 8.380 nan 0.000 0.447 377 T N -1.635 112.752 114.554 -0.279 0.000 3.100 377 T HA 0.171 4.520 4.350 -0.001 0.000 0.253 377 T C 0.699 175.257 174.700 -0.236 0.000 1.118 377 T CA 0.033 62.011 62.100 -0.204 0.000 1.058 377 T CB 0.017 68.782 68.868 -0.171 0.000 0.953 377 T HN -0.017 nan 8.240 nan 0.000 0.515 378 L N 2.395 123.420 121.223 -0.331 0.000 2.357 378 L HA 0.457 4.797 4.340 -0.001 0.000 0.273 378 L C 0.440 177.152 176.870 -0.263 0.000 1.080 378 L CA -1.303 53.353 54.840 -0.306 0.000 0.803 378 L CB 0.877 42.705 42.059 -0.385 0.000 1.174 378 L HN 0.138 nan 8.230 nan 0.000 0.443 379 K N 2.071 122.335 120.400 -0.226 0.000 2.249 379 K HA 0.403 4.722 4.320 -0.001 0.000 0.280 379 K C -2.799 173.629 176.600 -0.287 0.000 1.033 379 K CA -2.097 54.073 56.287 -0.196 0.000 0.946 379 K CB 0.495 32.927 32.500 -0.114 0.000 1.005 379 K HN 0.121 nan 8.250 nan 0.000 0.469 380 P HA -0.007 nan 4.420 nan 0.000 0.266 380 P C -0.712 176.485 177.300 -0.172 0.000 1.195 380 P CA 0.056 62.963 63.100 -0.322 0.000 0.768 380 P CB -0.008 31.462 31.700 -0.382 0.000 0.838 381 Y N 1.241 121.513 120.300 -0.047 0.000 2.712 381 Y HA -0.032 4.518 4.550 -0.001 0.000 0.333 381 Y C 1.486 177.397 175.900 0.019 0.000 1.225 381 Y CA 0.923 59.027 58.100 0.008 0.000 1.499 381 Y CB -0.202 38.272 38.460 0.023 0.000 1.288 381 Y HN 0.345 nan 8.280 nan 0.000 0.575 382 D N 1.064 121.600 120.400 0.226 0.000 2.312 382 D HA -0.010 4.630 4.640 -0.001 0.000 0.248 382 D C 1.303 177.693 176.300 0.150 0.000 1.086 382 D CA -0.197 53.894 54.000 0.153 0.000 0.948 382 D CB 0.677 41.552 40.800 0.125 0.000 1.162 382 D HN 0.700 nan 8.370 nan 0.000 0.446 383 H N 1.792 120.885 119.070 0.039 0.000 2.390 383 H HA -0.212 4.344 4.556 -0.001 0.000 0.298 383 H C 1.499 176.835 175.328 0.013 0.000 1.106 383 H CA 2.425 58.476 56.048 0.005 0.000 1.297 383 H CB -0.101 29.662 29.762 0.002 0.000 1.375 383 H HN 0.694 nan 8.280 nan 0.000 0.509 384 D N 0.079 120.604 120.400 0.209 0.000 2.117 384 D HA -0.089 4.551 4.640 -0.001 0.000 0.197 384 D C 2.492 178.856 176.300 0.106 0.000 0.987 384 D CA 2.013 56.093 54.000 0.135 0.000 0.829 384 D CB -0.655 40.196 40.800 0.085 0.000 0.961 384 D HN 0.311 nan 8.370 nan 0.000 0.460 385 V N -0.187 119.790 119.914 0.105 0.000 2.871 385 V HA 0.047 4.167 4.120 -0.001 0.000 0.256 385 V C 2.589 178.728 176.094 0.074 0.000 1.082 385 V CA 0.787 63.136 62.300 0.081 0.000 1.105 385 V CB -0.238 31.666 31.823 0.136 0.000 0.713 385 V HN 0.499 nan 8.190 nan 0.000 0.473 386 L N -0.500 120.739 121.223 0.027 0.000 2.221 386 L HA 0.128 4.468 4.340 -0.001 0.000 0.202 386 L C 1.370 178.234 176.870 -0.010 0.000 1.074 386 L CA 0.625 55.431 54.840 -0.057 0.000 0.795 386 L CB -0.273 41.643 42.059 -0.238 0.000 0.960 386 L HN 0.338 nan 8.230 nan 0.000 0.458 387 N N 0.529 119.255 118.700 0.043 0.000 2.492 387 N HA -0.049 4.690 4.740 -0.001 0.000 0.262 387 N C -1.280 174.352 175.510 0.202 0.000 1.202 387 N CA -0.143 52.984 53.050 0.129 0.000 0.926 387 N CB 0.590 39.250 38.487 0.288 0.000 1.078 387 N HN -0.105 nan 8.380 nan 0.000 0.454 388 F N 7.122 127.082 119.950 0.016 0.000 2.434 388 F HA 0.481 5.008 4.527 -0.001 0.000 0.367 388 F C -2.214 173.593 175.800 0.013 0.000 1.093 388 F CA -2.673 55.335 58.000 0.013 0.000 1.085 388 F CB 1.406 40.407 39.000 0.001 0.000 1.322 388 F HN 0.461 nan 8.300 nan 0.000 0.452 389 P HA -0.061 nan 4.420 nan 0.000 0.216 389 P C 0.732 178.005 177.300 -0.045 0.000 1.153 389 P CA 1.277 64.411 63.100 0.057 0.000 0.844 389 P CB 0.475 32.217 31.700 0.071 0.000 0.787 390 D N -1.191 119.135 120.400 -0.124 0.000 2.340 390 D HA 0.081 4.721 4.640 -0.001 0.000 0.220 390 D C 0.485 176.650 176.300 -0.225 0.000 1.039 390 D CA 0.310 54.222 54.000 -0.147 0.000 0.866 390 D CB 0.079 40.807 40.800 -0.121 0.000 0.913 390 D HN 0.181 nan 8.370 nan 0.000 0.523 391 I N 0.974 121.332 120.570 -0.354 0.000 2.440 391 I HA 0.157 4.326 4.170 -0.001 0.000 0.294 391 I C -0.011 175.990 176.117 -0.192 0.000 0.995 391 I CA -0.324 60.756 61.300 -0.366 0.000 1.306 391 I CB 1.566 39.138 38.000 -0.714 0.000 1.407 391 I HN -0.301 nan 8.210 nan 0.000 0.501 392 Q N 5.321 125.032 119.800 -0.149 0.000 2.263 392 Q HA 0.511 4.850 4.340 -0.001 0.000 0.266 392 Q C -1.898 174.044 176.000 -0.097 0.000 1.002 392 Q CA -0.526 55.222 55.803 -0.091 0.000 0.790 392 Q CB 1.787 30.485 28.738 -0.068 0.000 1.272 392 Q HN 0.414 nan 8.270 nan 0.000 0.435 393 V N 5.892 125.758 119.914 -0.080 0.000 2.406 393 V HA 0.186 4.306 4.120 -0.001 0.000 0.272 393 V C 0.599 176.601 176.094 -0.153 0.000 1.043 393 V CA 0.055 62.280 62.300 -0.126 0.000 0.915 393 V CB 1.362 33.128 31.823 -0.095 0.000 0.988 393 V HN 0.919 nan 8.190 nan 0.000 0.466 394 Q N 2.434 122.087 119.800 -0.245 0.000 2.396 394 Q HA 0.225 4.565 4.340 -0.001 0.000 0.220 394 Q C -0.049 175.645 176.000 -0.510 0.000 0.900 394 Q CA 0.346 56.000 55.803 -0.249 0.000 0.925 394 Q CB 0.909 29.560 28.738 -0.146 0.000 1.065 394 Q HN 0.865 nan 8.270 nan 0.000 0.535 395 D N -1.132 118.830 120.400 -0.731 0.000 2.685 395 D HA 0.343 4.982 4.640 -0.001 0.000 0.236 395 D C -1.887 174.022 176.300 -0.651 0.000 1.233 395 D CA -0.427 53.066 54.000 -0.845 0.000 0.760 395 D CB 2.207 42.810 40.800 -0.327 0.000 1.410 395 D HN -0.202 nan 8.370 nan 0.000 0.439 396 V N 1.470 121.114 119.914 -0.451 0.000 2.808 396 V HA 0.742 4.861 4.120 -0.001 0.000 0.308 396 V C -0.642 175.455 176.094 0.006 0.000 1.099 396 V CA -0.551 61.680 62.300 -0.115 0.000 0.920 396 V CB 2.159 34.021 31.823 0.065 0.000 1.014 396 V HN 0.710 nan 8.190 nan 0.000 0.425 397 T N 4.976 119.513 114.554 -0.029 0.000 2.921 397 T HA 0.547 4.896 4.350 -0.001 0.000 0.297 397 T C -0.897 173.675 174.700 -0.212 0.000 1.013 397 T CA -0.345 61.698 62.100 -0.096 0.000 0.990 397 T CB 1.762 70.549 68.868 -0.135 0.000 1.023 397 T HN 0.565 nan 8.240 nan 0.000 0.447 398 L N 4.584 125.725 121.223 -0.137 0.000 2.264 398 L HA 0.486 4.825 4.340 -0.001 0.000 0.289 398 L C -0.616 176.162 176.870 -0.152 0.000 1.044 398 L CA -0.551 54.196 54.840 -0.155 0.000 0.807 398 L CB 0.286 42.262 42.059 -0.139 0.000 1.192 398 L HN 0.641 nan 8.230 nan 0.000 0.425 399 H N 5.069 124.173 119.070 0.057 0.000 2.467 399 H HA 0.687 5.242 4.556 -0.001 0.000 0.326 399 H C -0.465 174.920 175.328 0.096 0.000 1.094 399 H CA -0.549 55.541 56.048 0.070 0.000 1.253 399 H CB 1.913 31.721 29.762 0.078 0.000 1.439 399 H HN 0.666 nan 8.280 nan 0.000 0.479 400 A N 3.679 126.623 122.820 0.206 0.000 2.881 400 A HA 0.345 4.664 4.320 -0.001 0.000 0.265 400 A C 0.966 178.654 177.584 0.173 0.000 1.297 400 A CA 0.060 52.211 52.037 0.190 0.000 0.989 400 A CB 0.025 19.132 19.000 0.178 0.000 1.421 400 A HN 0.865 nan 8.150 nan 0.000 0.688 401 R N -0.966 119.615 120.500 0.135 0.000 1.254 401 R HA -0.221 4.118 4.340 -0.001 0.000 0.021 401 R C -0.541 175.829 176.300 0.117 0.000 0.960 401 R CA 2.324 58.488 56.100 0.108 0.000 1.975 401 R CB -1.449 28.919 30.300 0.114 0.000 0.151 401 R HN 0.869 nan 8.270 nan 0.000 0.730 402 V N 2.419 122.430 119.914 0.162 0.000 2.398 402 V HA 0.278 4.397 4.120 -0.001 0.000 0.286 402 V C -0.378 175.784 176.094 0.113 0.000 1.026 402 V CA -0.432 61.950 62.300 0.137 0.000 0.868 402 V CB 1.438 33.364 31.823 0.173 0.000 0.982 402 V HN 0.320 nan 8.190 nan 0.000 0.443 403 D N 4.192 124.655 120.400 0.105 0.000 2.443 403 D HA 0.092 4.732 4.640 -0.001 0.000 0.239 403 D C 0.871 177.203 176.300 0.055 0.000 1.136 403 D CA 0.737 54.800 54.000 0.106 0.000 0.879 403 D CB 0.189 41.072 40.800 0.138 0.000 1.195 403 D HN 0.617 nan 8.370 nan 0.000 0.443 404 N N 0.431 119.141 118.700 0.017 0.000 2.725 404 N HA -0.169 4.570 4.740 -0.001 0.000 0.249 404 N C -1.248 174.235 175.510 -0.045 0.000 1.103 404 N CA 0.498 53.538 53.050 -0.015 0.000 0.707 404 N CB -0.864 37.638 38.487 0.026 0.000 1.043 404 N HN 0.113 nan 8.380 nan 0.000 0.553 405 V N 0.109 119.974 119.914 -0.081 0.000 2.733 405 V HA 0.483 4.602 4.120 -0.001 0.000 0.306 405 V C 0.042 176.004 176.094 -0.219 0.000 1.084 405 V CA -0.835 61.374 62.300 -0.151 0.000 0.905 405 V CB 2.761 34.498 31.823 -0.143 0.000 1.010 405 V HN -0.102 nan 8.190 nan 0.000 0.424 406 V N 3.921 123.663 119.914 -0.288 0.000 2.495 406 V HA 0.556 4.676 4.120 -0.001 0.000 0.298 406 V C -0.575 175.396 176.094 -0.206 0.000 1.031 406 V CA -0.652 61.507 62.300 -0.234 0.000 0.871 406 V CB 1.797 33.407 31.823 -0.354 0.000 0.988 406 V HN 0.826 nan 8.190 nan 0.000 0.432 407 H N 2.554 121.693 119.070 0.114 0.000 2.457 407 H HA 0.602 5.157 4.556 -0.001 0.000 0.335 407 H C -0.058 175.384 175.328 0.189 0.000 1.115 407 H CA -0.261 55.887 56.048 0.166 0.000 1.219 407 H CB 2.296 32.180 29.762 0.203 0.000 1.471 407 H HN 0.784 nan 8.280 nan 0.000 0.491 408 T N 0.409 115.107 114.554 0.240 0.000 2.932 408 T HA 0.722 5.071 4.350 -0.001 0.000 0.289 408 T C -0.504 174.219 174.700 0.038 0.000 1.039 408 T CA -0.774 61.318 62.100 -0.012 0.000 1.024 408 T CB 1.726 70.660 68.868 0.110 0.000 1.090 408 T HN 0.487 nan 8.240 nan 0.000 0.496 409 F N -1.673 118.373 119.950 0.160 0.000 2.858 409 F HA 0.709 5.236 4.527 -0.001 0.000 0.319 409 F C -1.342 174.547 175.800 0.148 0.000 1.166 409 F CA -1.700 56.284 58.000 -0.027 0.000 0.899 409 F CB 0.951 39.901 39.000 -0.083 0.000 1.332 409 F HN 0.455 nan 8.300 nan 0.000 0.461 410 M N 1.825 121.633 119.600 0.346 0.000 2.342 410 M HA 0.596 5.076 4.480 -0.001 0.000 0.332 410 M C -0.623 175.895 176.300 0.363 0.000 1.166 410 M CA -0.228 55.269 55.300 0.328 0.000 1.086 410 M CB 1.693 34.479 32.600 0.310 0.000 1.541 410 M HN 0.867 nan 8.290 nan 0.000 0.462 411 R N 0.400 121.009 120.500 0.181 0.000 2.584 411 R HA 0.570 4.909 4.340 -0.001 0.000 0.276 411 R C -0.785 175.236 176.300 -0.465 0.000 1.046 411 R CA -0.234 55.852 56.100 -0.023 0.000 0.906 411 R CB 1.244 31.598 30.300 0.090 0.000 1.215 411 R HN 0.791 nan 8.270 nan 0.000 0.449 412 E N 2.366 122.234 120.200 -0.554 0.000 2.319 412 E HA 0.390 4.739 4.350 -0.001 0.000 0.268 412 E C -0.887 175.301 176.600 -0.686 0.000 1.050 412 E CA -0.447 55.402 56.400 -0.919 0.000 0.878 412 E CB 1.521 30.613 29.700 -1.014 0.000 1.066 412 E HN 0.681 nan 8.360 nan 0.000 0.406 413 Q N -0.233 119.069 119.800 -0.830 0.000 2.462 413 Q HA 0.453 4.792 4.340 -0.001 0.000 0.285 413 Q C -1.158 174.392 176.000 -0.750 0.000 1.035 413 Q CA -0.530 54.881 55.803 -0.653 0.000 0.799 413 Q CB 1.876 30.301 28.738 -0.521 0.000 1.452 413 Q HN 0.714 nan 8.270 nan 0.000 0.404 414 E N 0.720 120.696 120.200 -0.374 0.000 2.264 414 E HA 0.656 5.005 4.350 -0.001 0.000 0.260 414 E C -1.448 175.161 176.600 0.015 0.000 0.961 414 E CA -0.972 55.320 56.400 -0.181 0.000 0.834 414 E CB 1.969 31.617 29.700 -0.087 0.000 1.230 414 E HN 0.335 nan 8.360 nan 0.000 0.412 415 L N 1.252 122.561 121.223 0.143 0.000 2.438 415 L HA 0.369 4.708 4.340 -0.001 0.000 0.270 415 L C -1.325 175.626 176.870 0.134 0.000 0.972 415 L CA -0.694 54.267 54.840 0.201 0.000 0.831 415 L CB 1.867 44.107 42.059 0.303 0.000 1.273 415 L HN 0.411 nan 8.230 nan 0.000 0.405 416 E N 3.478 123.749 120.200 0.119 0.000 2.194 416 E HA 0.327 4.676 4.350 -0.001 0.000 0.284 416 E C -0.222 176.444 176.600 0.110 0.000 1.035 416 E CA -0.022 56.440 56.400 0.103 0.000 0.836 416 E CB 0.923 30.699 29.700 0.126 0.000 1.070 416 E HN 0.638 nan 8.360 nan 0.000 0.401 417 L N 4.718 125.986 121.223 0.075 0.000 2.607 417 L HA 0.137 4.476 4.340 -0.001 0.000 0.228 417 L C 1.709 178.578 176.870 -0.002 0.000 1.123 417 L CA 0.535 55.417 54.840 0.070 0.000 0.890 417 L CB -0.415 41.700 42.059 0.093 0.000 1.103 417 L HN 0.625 nan 8.230 nan 0.000 0.468 418 K N -1.648 118.691 120.400 -0.102 0.000 2.504 418 K HA -0.090 4.229 4.320 -0.001 0.000 0.195 418 K C 0.843 177.215 176.600 -0.381 0.000 1.036 418 K CA 1.238 57.377 56.287 -0.247 0.000 0.984 418 K CB -0.164 32.139 32.500 -0.329 0.000 0.788 418 K HN 0.358 nan 8.250 nan 0.000 0.488 419 H N -0.390 118.540 119.070 -0.233 0.000 2.705 419 H HA 0.282 4.838 4.556 -0.001 0.000 0.269 419 H C 0.764 175.937 175.328 -0.259 0.000 0.998 419 H CA 0.144 55.946 56.048 -0.411 0.000 1.193 419 H CB 1.107 30.247 29.762 -1.037 0.000 1.485 419 H HN 0.336 nan 8.280 nan 0.000 0.521 429 I N 1.219 121.789 120.570 0.000 0.000 2.164 429 I HA 0.522 4.692 4.170 -0.001 0.000 0.197 429 I C 0.224 176.357 176.117 0.027 0.000 0.374 429 I CA -0.703 60.592 61.300 -0.008 0.000 3.258 429 I CB -0.025 37.965 38.000 -0.017 0.000 1.510 429 I HN 0.576 nan 8.210 nan 0.000 0.537 430 K N 1.042 121.463 120.400 0.034 0.000 2.095 430 K HA 0.920 5.240 4.320 -0.001 0.000 0.252 430 K C -0.662 175.984 176.600 0.075 0.000 0.977 430 K CA -0.140 56.179 56.287 0.054 0.000 0.900 430 K CB 1.275 33.795 32.500 0.033 0.000 1.060 430 K HN 0.643 nan 8.250 nan 0.000 0.449 431 A N 0.513 123.396 122.820 0.106 0.000 2.381 431 A HA 0.722 5.042 4.320 -0.001 0.000 0.299 431 A C -0.055 177.618 177.584 0.148 0.000 1.049 431 A CA -0.226 51.894 52.037 0.137 0.000 0.715 431 A CB 0.643 19.751 19.000 0.180 0.000 1.222 431 A HN 1.321 nan 8.150 nan 0.000 0.428 432 K N 1.162 121.620 120.400 0.096 0.000 2.143 432 K HA 0.763 5.082 4.320 -0.001 0.000 0.272 432 K C -0.602 176.081 176.600 0.138 0.000 1.001 432 K CA 0.128 56.409 56.287 -0.009 0.000 0.915 432 K CB 0.596 33.051 32.500 -0.075 0.000 1.047 432 K HN 1.643 nan 8.250 nan 0.000 0.458 433 Y N -1.799 118.491 120.300 -0.017 0.000 2.677 433 Y HA 0.780 5.329 4.550 -0.001 0.000 0.334 433 Y C -1.235 174.614 175.900 -0.085 0.000 1.154 433 Y CA -2.018 56.145 58.100 0.104 0.000 1.070 433 Y CB 1.027 39.569 38.460 0.137 0.000 1.294 433 Y HN 0.465 nan 8.280 nan 0.000 0.475 434 Y N 1.293 121.725 120.300 0.220 0.000 2.462 434 Y HA 0.564 5.114 4.550 -0.001 0.000 0.346 434 Y C -0.030 175.984 175.900 0.191 0.000 0.976 434 Y CA -1.031 57.096 58.100 0.045 0.000 1.044 434 Y CB 1.685 40.182 38.460 0.062 0.000 1.230 434 Y HN 0.824 nan 8.280 nan 0.000 0.455 435 H N 1.239 120.489 119.070 0.300 0.000 2.946 435 H HA 0.488 5.043 4.556 -0.001 0.000 0.365 435 H C -1.445 174.010 175.328 0.213 0.000 1.197 435 H CA -1.166 55.033 56.048 0.252 0.000 1.131 435 H CB 1.840 31.665 29.762 0.104 0.000 1.849 435 H HN 0.579 nan 8.280 nan 0.000 0.555 436 L N 1.439 122.941 121.223 0.466 0.000 2.397 436 L HA 0.218 4.557 4.340 -0.001 0.000 0.271 436 L C -0.564 176.498 176.870 0.321 0.000 1.148 436 L CA 0.618 55.647 54.840 0.314 0.000 0.825 436 L CB 0.925 43.169 42.059 0.308 0.000 1.117 436 L HN 0.762 nan 8.230 nan 0.000 0.456 437 D N 1.915 122.329 120.400 0.023 0.000 2.596 437 D HA 0.408 5.047 4.640 -0.001 0.000 0.234 437 D C -1.065 174.928 176.300 -0.512 0.000 1.181 437 D CA -0.189 53.751 54.000 -0.100 0.000 0.856 437 D CB 1.796 42.585 40.800 -0.017 0.000 1.498 437 D HN 0.610 nan 8.370 nan 0.000 0.446 438 H N -1.285 117.640 119.070 -0.240 0.000 2.797 438 H HA 0.511 5.067 4.556 -0.001 0.000 0.362 438 H C -0.551 174.878 175.328 0.168 0.000 1.183 438 H CA -0.776 55.204 56.048 -0.112 0.000 1.197 438 H CB 1.217 31.040 29.762 0.101 0.000 1.835 438 H HN 0.384 nan 8.280 nan 0.000 0.567 439 E N 1.358 121.772 120.200 0.358 0.000 2.343 439 E HA 0.343 4.692 4.350 -0.001 0.000 0.269 439 E C -2.631 174.185 176.600 0.360 0.000 1.047 439 E CA -1.975 54.637 56.400 0.353 0.000 0.874 439 E CB 0.564 30.496 29.700 0.387 0.000 1.033 439 E HN 0.257 nan 8.360 nan 0.000 0.409 440 P HA -0.001 nan 4.420 nan 0.000 0.265 440 P C -1.119 176.336 177.300 0.258 0.000 1.187 440 P CA 0.435 63.611 63.100 0.127 0.000 0.766 440 P CB 0.066 31.783 31.700 0.028 0.000 0.820 441 F N -1.040 118.949 119.950 0.065 0.000 2.745 441 F HA 0.806 5.332 4.527 -0.001 0.000 0.316 441 F C -0.819 174.949 175.800 -0.053 0.000 1.155 441 F CA -1.121 56.878 58.000 -0.001 0.000 0.937 441 F CB 0.954 39.917 39.000 -0.061 0.000 1.361 441 F HN 0.323 nan 8.300 nan 0.000 0.472 442 S N -0.677 115.126 115.700 0.171 0.000 2.618 442 S HA 0.766 5.236 4.470 -0.001 0.000 0.277 442 S C -2.114 172.416 174.600 -0.115 0.000 1.138 442 S CA -0.792 57.429 58.200 0.035 0.000 0.844 442 S CB 1.664 65.043 63.200 0.298 0.000 1.127 442 S HN 0.680 nan 8.310 nan 0.000 0.474 443 Y N 0.040 120.405 120.300 0.108 0.000 2.409 443 Y HA 0.750 5.299 4.550 -0.001 0.000 0.339 443 Y C 0.313 176.210 175.900 -0.005 0.000 1.033 443 Y CA -0.794 57.334 58.100 0.046 0.000 1.094 443 Y CB 2.116 40.636 38.460 0.099 0.000 1.210 443 Y HN 1.034 nan 8.280 nan 0.000 0.456 444 A N 2.626 125.495 122.820 0.081 0.000 2.360 444 A HA 0.693 5.013 4.320 -0.001 0.000 0.309 444 A C -1.496 176.107 177.584 0.032 0.000 1.311 444 A CA -0.634 51.441 52.037 0.062 0.000 0.805 444 A CB 0.048 19.087 19.000 0.065 0.000 1.144 444 A HN 0.520 nan 8.150 nan 0.000 0.486 445 V N 2.856 122.790 119.914 0.034 0.000 2.370 445 V HA 0.248 4.368 4.120 -0.001 0.000 0.283 445 V C -0.332 175.722 176.094 -0.067 0.000 1.023 445 V CA -0.792 61.486 62.300 -0.037 0.000 0.857 445 V CB 1.134 32.941 31.823 -0.025 0.000 0.985 445 V HN 0.848 nan 8.190 nan 0.000 0.443 446 N N 3.585 122.212 118.700 -0.122 0.000 2.420 446 N HA 0.514 5.253 4.740 -0.001 0.000 0.249 446 N C -0.633 174.793 175.510 -0.139 0.000 1.033 446 N CA -0.251 52.731 53.050 -0.112 0.000 0.944 446 N CB 1.651 40.069 38.487 -0.115 0.000 1.113 446 N HN 0.496 nan 8.380 nan 0.000 0.502 447 V N 1.466 121.313 119.914 -0.111 0.000 2.630 447 V HA 0.466 4.586 4.120 -0.001 0.000 0.305 447 V C -0.138 175.892 176.094 -0.107 0.000 1.046 447 V CA -0.748 61.480 62.300 -0.120 0.000 0.934 447 V CB 1.795 33.547 31.823 -0.119 0.000 1.003 447 V HN 0.513 nan 8.190 nan 0.000 0.451 448 Q N 3.118 122.851 119.800 -0.112 0.000 2.327 448 Q HA 0.377 4.717 4.340 -0.001 0.000 0.270 448 Q C -0.863 175.065 176.000 -0.121 0.000 1.022 448 Q CA -0.223 55.523 55.803 -0.096 0.000 0.773 448 Q CB 1.282 29.972 28.738 -0.080 0.000 1.251 448 Q HN 0.707 nan 8.270 nan 0.000 0.457 449 N N 3.454 122.087 118.700 -0.113 0.000 2.678 449 N HA 0.191 4.930 4.740 -0.001 0.000 0.231 449 N C -0.761 174.692 175.510 -0.096 0.000 1.038 449 N CA -0.062 52.907 53.050 -0.135 0.000 0.932 449 N CB 0.341 38.754 38.487 -0.123 0.000 1.176 449 N HN 0.676 nan 8.380 nan 0.000 0.511 450 N N 0.182 118.823 118.700 -0.099 0.000 2.571 450 N HA -0.081 4.658 4.740 -0.001 0.000 0.189 450 N C 0.393 175.870 175.510 -0.055 0.000 1.154 450 N CA 0.045 53.055 53.050 -0.067 0.000 0.907 450 N CB 0.237 38.687 38.487 -0.062 0.000 0.977 450 N HN 0.401 nan 8.380 nan 0.000 0.449 451 S N -0.177 115.485 115.700 -0.063 0.000 2.645 451 S HA 0.474 4.944 4.470 -0.001 0.000 0.266 451 S C 1.033 175.619 174.600 -0.023 0.000 1.258 451 S CA -0.559 57.617 58.200 -0.039 0.000 0.990 451 S CB 1.118 64.293 63.200 -0.042 0.000 0.967 451 S HN 0.231 nan 8.310 nan 0.000 0.556 452 A N 1.562 124.377 122.820 -0.009 0.000 2.345 452 A HA 0.453 4.773 4.320 -0.001 0.000 0.225 452 A C 0.567 178.153 177.584 0.004 0.000 1.243 452 A CA 0.219 52.254 52.037 -0.004 0.000 0.875 452 A CB -0.635 18.365 19.000 -0.000 0.000 0.929 452 A HN 1.052 nan 8.150 nan 0.000 0.502 453 S N -1.164 114.542 115.700 0.009 0.000 2.627 453 S HA 0.508 4.977 4.470 -0.001 0.000 0.283 453 S C -1.463 173.150 174.600 0.022 0.000 1.127 453 S CA -0.828 57.385 58.200 0.022 0.000 0.863 453 S CB 1.003 64.227 63.200 0.040 0.000 1.121 453 S HN 0.014 nan 8.310 nan 0.000 0.479 454 D N 2.218 122.638 120.400 0.034 0.000 2.412 454 D HA 0.237 4.877 4.640 -0.001 0.000 0.257 454 D C 0.114 176.381 176.300 -0.055 0.000 1.217 454 D CA 0.552 54.563 54.000 0.019 0.000 0.897 454 D CB 0.403 41.226 40.800 0.040 0.000 1.132 454 D HN 0.285 nan 8.370 nan 0.000 0.493 455 K N 2.230 122.574 120.400 -0.094 0.000 2.177 455 K HA 0.429 4.749 4.320 -0.001 0.000 0.238 455 K C -0.026 176.441 176.600 -0.221 0.000 1.015 455 K CA -0.672 55.611 56.287 -0.007 0.000 0.922 455 K CB 1.355 33.895 32.500 0.066 0.000 1.127 455 K HN 0.520 nan 8.250 nan 0.000 0.469 456 H N -0.617 118.586 119.070 0.222 0.000 2.744 456 H HA 0.476 5.032 4.556 -0.001 0.000 0.339 456 H C -0.979 174.484 175.328 0.224 0.000 1.004 456 H CA -0.677 55.452 56.048 0.135 0.000 1.257 456 H CB 2.008 31.892 29.762 0.203 0.000 1.552 456 H HN 0.678 nan 8.280 nan 0.000 0.522 457 A N 2.380 125.302 122.820 0.170 0.000 2.413 457 A HA 0.608 4.927 4.320 -0.001 0.000 0.307 457 A C -0.334 177.252 177.584 0.003 0.000 1.087 457 A CA -0.763 51.375 52.037 0.170 0.000 0.750 457 A CB 1.493 20.652 19.000 0.265 0.000 1.296 457 A HN 0.549 nan 8.150 nan 0.000 0.423 458 T N 1.491 116.057 114.554 0.020 0.000 2.758 458 T HA 0.489 4.838 4.350 -0.001 0.000 0.285 458 T C -0.376 174.225 174.700 -0.165 0.000 0.981 458 T CA -0.222 61.849 62.100 -0.049 0.000 0.965 458 T CB 0.896 69.804 68.868 0.068 0.000 0.927 458 T HN 0.445 nan 8.240 nan 0.000 0.448 459 V N 5.277 124.925 119.914 -0.444 0.000 2.407 459 V HA 0.429 4.549 4.120 -0.001 0.000 0.278 459 V C 0.365 176.243 176.094 -0.360 0.000 1.037 459 V CA -0.712 61.275 62.300 -0.522 0.000 0.900 459 V CB 0.861 32.040 31.823 -1.073 0.000 0.983 459 V HN 0.718 nan 8.190 nan 0.000 0.459 460 R N 5.407 125.848 120.500 -0.100 0.000 2.360 460 R HA 0.670 5.010 4.340 -0.001 0.000 0.318 460 R C -1.146 175.265 176.300 0.184 0.000 0.950 460 R CA -0.435 55.730 56.100 0.108 0.000 0.837 460 R CB 1.722 32.199 30.300 0.295 0.000 1.165 460 R HN 0.607 nan 8.270 nan 0.000 0.458 461 I N 3.636 124.271 120.570 0.108 0.000 2.433 461 I HA 0.451 4.621 4.170 -0.001 0.000 0.292 461 I C -0.751 175.442 176.117 0.126 0.000 1.001 461 I CA -0.620 60.757 61.300 0.129 0.000 1.119 461 I CB 1.175 39.096 38.000 -0.132 0.000 1.289 461 I HN 0.371 nan 8.210 nan 0.000 0.438 462 F N 5.637 125.784 119.950 0.329 0.000 2.603 462 F HA 0.662 5.189 4.527 -0.001 0.000 0.317 462 F C -0.722 175.230 175.800 0.253 0.000 1.066 462 F CA -0.828 57.354 58.000 0.303 0.000 0.941 462 F CB 2.067 41.316 39.000 0.416 0.000 1.291 462 F HN 0.171 nan 8.300 nan 0.000 0.472 463 L N 1.937 123.365 121.223 0.343 0.000 2.408 463 L HA 0.925 5.265 4.340 -0.001 0.000 0.268 463 L C -1.334 175.665 176.870 0.215 0.000 0.986 463 L CA -0.302 54.688 54.840 0.250 0.000 0.820 463 L CB 1.731 43.867 42.059 0.128 0.000 1.303 463 L HN 0.698 nan 8.230 nan 0.000 0.411 464 A N 5.595 128.553 122.820 0.230 0.000 2.520 464 A HA 0.872 5.192 4.320 -0.001 0.000 0.298 464 A C -2.991 174.622 177.584 0.048 0.000 1.051 464 A CA -1.312 50.791 52.037 0.111 0.000 0.690 464 A CB 1.631 20.607 19.000 -0.040 0.000 1.281 464 A HN 0.445 nan 8.150 nan 0.000 0.402 465 P HA 0.099 nan 4.420 nan 0.000 0.269 465 P C -0.009 176.990 177.300 -0.502 0.000 1.215 465 P CA 0.080 62.875 63.100 -0.508 0.000 0.780 465 P CB 1.254 32.678 31.700 -0.461 0.000 0.898 466 K N 1.352 121.347 120.400 -0.675 0.000 2.166 466 K HA 0.010 4.330 4.320 -0.001 0.000 0.201 466 K C 0.022 176.178 176.600 -0.740 0.000 1.052 466 K CA 0.877 56.643 56.287 -0.869 0.000 0.969 466 K CB 0.132 32.015 32.500 -1.028 0.000 0.761 466 K HN 0.437 nan 8.250 nan 0.000 0.459 467 Y N 0.696 120.855 120.300 -0.235 0.000 2.602 467 Y HA 0.180 4.729 4.550 -0.001 0.000 0.342 467 Y C -0.173 175.633 175.900 -0.157 0.000 1.029 467 Y CA -1.927 56.082 58.100 -0.152 0.000 1.080 467 Y CB 1.043 39.430 38.460 -0.122 0.000 1.284 467 Y HN 0.103 nan 8.280 nan 0.000 0.485 468 D N -0.652 119.792 120.400 0.074 0.000 2.466 468 D HA 0.051 4.690 4.640 -0.001 0.000 0.262 468 D C 0.966 177.266 176.300 -0.001 0.000 1.177 468 D CA -0.483 53.512 54.000 -0.008 0.000 1.035 468 D CB 0.424 41.218 40.800 -0.009 0.000 1.105 468 D HN 0.627 nan 8.370 nan 0.000 0.551 469 E N 0.048 120.237 120.200 -0.017 0.000 2.396 469 E HA -0.164 4.185 4.350 -0.001 0.000 0.200 469 E C 1.030 177.627 176.600 -0.003 0.000 1.023 469 E CA 0.911 57.304 56.400 -0.012 0.000 0.857 469 E CB -0.469 29.230 29.700 -0.001 0.000 0.775 469 E HN 0.592 nan 8.360 nan 0.000 0.525 470 L N 0.065 121.293 121.223 0.008 0.000 2.872 470 L HA 0.343 4.682 4.340 -0.001 0.000 0.245 470 L C 1.195 178.049 176.870 -0.027 0.000 1.211 470 L CA 0.101 54.940 54.840 -0.002 0.000 1.013 470 L CB 0.237 42.307 42.059 0.019 0.000 1.326 470 L HN 0.290 nan 8.230 nan 0.000 0.525 471 G N -0.179 108.590 108.800 -0.052 0.000 2.189 471 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.267 471 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.267 471 G C 0.283 175.139 174.900 -0.073 0.000 0.975 471 G CA 0.022 45.036 45.100 -0.144 0.000 0.644 471 G HN 0.455 nan 8.290 nan 0.000 0.537 472 N N 0.940 119.672 118.700 0.053 0.000 2.530 472 N HA 0.276 5.016 4.740 -0.001 0.000 0.273 472 N C 0.142 175.803 175.510 0.253 0.000 1.173 472 N CA -0.114 53.009 53.050 0.121 0.000 0.967 472 N CB 0.985 39.516 38.487 0.073 0.000 1.109 472 N HN 0.569 nan 8.380 nan 0.000 0.453 473 E N 2.061 122.419 120.200 0.262 0.000 2.324 473 E HA 0.090 4.440 4.350 -0.001 0.000 0.271 473 E C -0.274 176.365 176.600 0.066 0.000 1.028 473 E CA -0.337 56.164 56.400 0.170 0.000 0.890 473 E CB 0.505 30.302 29.700 0.161 0.000 1.004 473 E HN 0.411 nan 8.360 nan 0.000 0.431 474 I N 5.683 126.250 120.570 -0.005 0.000 2.379 474 I HA 0.051 4.220 4.170 -0.001 0.000 0.290 474 I C 0.682 176.789 176.117 -0.017 0.000 1.063 474 I CA -0.098 61.187 61.300 -0.026 0.000 1.351 474 I CB 0.488 38.444 38.000 -0.073 0.000 1.410 474 I HN 0.337 nan 8.210 nan 0.000 0.505 475 K N 4.454 124.837 120.400 -0.027 0.000 2.319 475 K HA 0.193 4.513 4.320 -0.001 0.000 0.265 475 K C 1.257 177.811 176.600 -0.078 0.000 1.000 475 K CA -0.060 56.196 56.287 -0.051 0.000 0.943 475 K CB 0.728 33.184 32.500 -0.072 0.000 0.950 475 K HN 0.731 nan 8.250 nan 0.000 0.485 476 A N 2.103 124.866 122.820 -0.095 0.000 1.915 476 A HA -0.302 4.018 4.320 -0.001 0.000 0.220 476 A C 1.818 179.302 177.584 -0.167 0.000 1.198 476 A CA 2.524 54.476 52.037 -0.141 0.000 0.647 476 A CB -0.597 18.317 19.000 -0.145 0.000 0.825 476 A HN 0.927 nan 8.150 nan 0.000 0.456 477 D N -1.187 119.143 120.400 -0.116 0.000 2.183 477 D HA -0.059 4.580 4.640 -0.001 0.000 0.203 477 D C 2.001 178.259 176.300 -0.071 0.000 0.969 477 D CA 1.219 55.168 54.000 -0.086 0.000 0.842 477 D CB -0.118 40.663 40.800 -0.032 0.000 0.957 477 D HN 0.647 nan 8.370 nan 0.000 0.484 478 E N -0.296 119.858 120.200 -0.077 0.000 2.150 478 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 478 E C 2.109 178.633 176.600 -0.127 0.000 0.985 478 E CA 0.341 56.691 56.400 -0.084 0.000 0.814 478 E CB 0.032 29.687 29.700 -0.076 0.000 0.752 478 E HN 0.368 nan 8.360 nan 0.000 0.466 479 L N 0.473 121.595 121.223 -0.167 0.000 2.191 479 L HA -0.162 4.177 4.340 -0.001 0.000 0.212 479 L C 2.408 179.066 176.870 -0.353 0.000 1.103 479 L CA 0.922 55.610 54.840 -0.254 0.000 0.769 479 L CB -0.299 41.575 42.059 -0.309 0.000 0.908 479 L HN 0.096 nan 8.230 nan 0.000 0.438 480 R N -0.241 120.099 120.500 -0.267 0.000 2.105 480 R HA -0.141 4.198 4.340 -0.001 0.000 0.239 480 R C 2.269 178.496 176.300 -0.121 0.000 1.135 480 R CA 1.139 57.125 56.100 -0.190 0.000 0.967 480 R CB -0.151 30.134 30.300 -0.025 0.000 0.861 480 R HN 0.319 nan 8.270 nan 0.000 0.442 481 R N -0.432 120.003 120.500 -0.109 0.000 2.200 481 R HA 0.027 4.367 4.340 -0.001 0.000 0.208 481 R C 1.230 177.469 176.300 -0.103 0.000 1.033 481 R CA 1.059 57.103 56.100 -0.093 0.000 1.000 481 R CB -0.197 30.026 30.300 -0.128 0.000 0.906 481 R HN 0.235 nan 8.270 nan 0.000 0.462 482 T N -0.735 113.735 114.554 -0.140 0.000 3.129 482 T HA 0.403 4.753 4.350 -0.001 0.000 0.267 482 T C 0.505 175.137 174.700 -0.113 0.000 1.018 482 T CA -0.169 61.861 62.100 -0.116 0.000 0.903 482 T CB 0.647 69.443 68.868 -0.120 0.000 1.067 482 T HN 0.138 nan 8.240 nan 0.000 0.549 483 A N 2.714 125.425 122.820 -0.182 0.000 2.309 483 A HA 0.693 5.013 4.320 -0.001 0.000 0.290 483 A C 0.279 177.949 177.584 0.143 0.000 1.206 483 A CA -0.895 51.058 52.037 -0.140 0.000 0.850 483 A CB -0.296 18.319 19.000 -0.642 0.000 1.118 483 A HN 0.713 nan 8.150 nan 0.000 0.523 484 I N -0.081 120.597 120.570 0.180 0.000 2.392 484 I HA 0.498 4.667 4.170 -0.001 0.000 0.295 484 I C 0.093 176.246 176.117 0.060 0.000 0.985 484 I CA -0.595 60.777 61.300 0.120 0.000 1.221 484 I CB 1.488 39.490 38.000 0.003 0.000 1.366 484 I HN 0.688 nan 8.210 nan 0.000 0.467 485 E N 5.236 125.349 120.200 -0.144 0.000 2.324 485 E HA 0.177 4.527 4.350 -0.001 0.000 0.271 485 E C 0.039 176.413 176.600 -0.377 0.000 1.028 485 E CA -0.189 55.833 56.400 -0.631 0.000 0.890 485 E CB 1.104 30.561 29.700 -0.405 0.000 1.004 485 E HN 0.796 nan 8.360 nan 0.000 0.431 486 L N 3.210 124.239 121.223 -0.324 0.000 2.470 486 L HA 0.284 4.623 4.340 -0.001 0.000 0.219 486 L C 0.417 177.220 176.870 -0.111 0.000 1.071 486 L CA 0.169 54.929 54.840 -0.133 0.000 0.850 486 L CB 0.425 42.511 42.059 0.047 0.000 1.040 486 L HN 0.525 nan 8.230 nan 0.000 0.475 487 D N -0.663 119.656 120.400 -0.134 0.000 2.742 487 D HA 0.281 4.920 4.640 -0.001 0.000 0.262 487 D C -1.576 174.741 176.300 0.029 0.000 1.240 487 D CA -0.403 53.592 54.000 -0.008 0.000 0.752 487 D CB 2.320 43.189 40.800 0.115 0.000 1.290 487 D HN -0.253 nan 8.370 nan 0.000 0.420 488 K N 2.050 122.530 120.400 0.133 0.000 2.616 488 K HA 0.470 4.790 4.320 -0.001 0.000 0.255 488 K C -1.759 174.967 176.600 0.209 0.000 0.995 488 K CA -0.583 55.763 56.287 0.098 0.000 0.860 488 K CB 0.924 33.463 32.500 0.065 0.000 1.264 488 K HN 0.351 nan 8.250 nan 0.000 0.451 489 F N 0.647 120.586 119.950 -0.018 0.000 2.678 489 F HA 0.477 5.004 4.527 -0.001 0.000 0.308 489 F C -1.361 174.407 175.800 -0.053 0.000 1.118 489 F CA -1.139 56.839 58.000 -0.037 0.000 0.959 489 F CB 1.005 39.971 39.000 -0.057 0.000 1.305 489 F HN 0.223 nan 8.300 nan 0.000 0.443 490 K N 1.394 121.812 120.400 0.029 0.000 2.205 490 K HA 0.595 4.914 4.320 -0.001 0.000 0.279 490 K C -1.083 175.455 176.600 -0.103 0.000 1.027 490 K CA 0.001 56.159 56.287 -0.215 0.000 0.932 490 K CB 1.359 33.583 32.500 -0.460 0.000 1.032 490 K HN 0.975 nan 8.250 nan 0.000 0.466 491 T N 2.100 116.541 114.554 -0.189 0.000 2.900 491 T HA 0.253 4.602 4.350 -0.001 0.000 0.303 491 T C -1.758 172.832 174.700 -0.182 0.000 1.142 491 T CA -0.831 61.204 62.100 -0.109 0.000 1.007 491 T CB 1.197 70.031 68.868 -0.057 0.000 1.156 491 T HN 0.556 nan 8.240 nan 0.000 0.490 492 D N 3.383 123.659 120.400 -0.207 0.000 2.303 492 D HA 0.385 5.024 4.640 -0.001 0.000 0.236 492 D C -0.758 175.247 176.300 -0.491 0.000 1.068 492 D CA -0.413 53.401 54.000 -0.310 0.000 0.830 492 D CB 1.580 42.251 40.800 -0.215 0.000 1.109 492 D HN 0.195 nan 8.370 nan 0.000 0.496 493 L N 4.078 125.058 121.223 -0.406 0.000 2.272 493 L HA 0.228 4.567 4.340 -0.001 0.000 0.289 493 L C 0.367 177.067 176.870 -0.283 0.000 1.032 493 L CA -0.557 54.063 54.840 -0.368 0.000 0.810 493 L CB 0.565 42.502 42.059 -0.203 0.000 1.205 493 L HN 0.287 nan 8.230 nan 0.000 0.422 494 H N 2.927 121.941 119.070 -0.094 0.000 2.495 494 H HA 0.456 5.012 4.556 -0.001 0.000 0.350 494 H C -2.090 173.195 175.328 -0.070 0.000 1.202 494 H CA -2.619 53.382 56.048 -0.078 0.000 1.322 494 H CB 0.493 30.219 29.762 -0.059 0.000 1.544 494 H HN 0.309 nan 8.280 nan 0.000 0.565 495 P HA 0.101 nan 4.420 nan 0.000 0.269 495 P C 0.771 178.069 177.300 -0.003 0.000 1.209 495 P CA 1.086 64.189 63.100 0.005 0.000 0.776 495 P CB 0.474 32.175 31.700 0.002 0.000 0.876 496 G N 1.616 110.400 108.800 -0.026 0.000 2.509 496 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.259 496 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.259 496 G C -0.774 174.103 174.900 -0.038 0.000 1.169 496 G CA -0.298 44.785 45.100 -0.029 0.000 0.953 496 G HN 0.554 nan 8.290 nan 0.000 0.563 497 K N 2.126 122.508 120.400 -0.029 0.000 2.298 497 K HA 0.525 4.845 4.320 -0.001 0.000 0.280 497 K C 0.306 176.887 176.600 -0.032 0.000 1.032 497 K CA 0.122 56.388 56.287 -0.035 0.000 0.958 497 K CB 0.504 32.989 32.500 -0.026 0.000 0.978 497 K HN 0.559 nan 8.250 nan 0.000 0.472 498 N N 1.150 119.820 118.700 -0.050 0.000 2.242 498 N HA 0.377 5.117 4.740 -0.001 0.000 0.292 498 N C -1.271 174.210 175.510 -0.048 0.000 1.125 498 N CA -0.715 52.301 53.050 -0.056 0.000 0.783 498 N CB 2.365 40.795 38.487 -0.095 0.000 1.558 498 N HN 0.312 nan 8.380 nan 0.000 0.472 499 T N 0.833 115.369 114.554 -0.030 0.000 2.930 499 T HA 0.240 4.590 4.350 -0.001 0.000 0.313 499 T C -0.265 174.437 174.700 0.002 0.000 1.019 499 T CA -0.421 61.673 62.100 -0.011 0.000 1.004 499 T CB 1.093 69.967 68.868 0.010 0.000 0.987 499 T HN 0.125 nan 8.240 nan 0.000 0.456 500 V N 4.346 124.266 119.914 0.011 0.000 2.432 500 V HA 0.396 4.516 4.120 -0.001 0.000 0.271 500 V C 0.300 176.434 176.094 0.067 0.000 1.046 500 V CA -0.610 61.717 62.300 0.045 0.000 0.945 500 V CB 1.164 33.037 31.823 0.084 0.000 0.992 500 V HN 0.614 nan 8.190 nan 0.000 0.471 501 V N 5.662 125.590 119.914 0.024 0.000 2.483 501 V HA 0.735 4.854 4.120 -0.001 0.000 0.295 501 V C 0.004 175.999 176.094 -0.166 0.000 1.035 501 V CA -0.668 61.617 62.300 -0.024 0.000 0.896 501 V CB 1.902 33.709 31.823 -0.027 0.000 0.986 501 V HN 0.914 nan 8.190 nan 0.000 0.447 502 R N 2.168 122.548 120.500 -0.201 0.000 2.651 502 R HA 0.557 4.896 4.340 -0.001 0.000 0.278 502 R C -1.347 174.736 176.300 -0.362 0.000 1.010 502 R CA -0.611 55.274 56.100 -0.358 0.000 0.896 502 R CB 1.475 31.628 30.300 -0.245 0.000 1.211 502 R HN 0.877 nan 8.270 nan 0.000 0.456 503 H N 0.462 119.469 119.070 -0.105 0.000 2.529 503 H HA 0.227 4.782 4.556 -0.001 0.000 0.348 503 H C 0.782 175.987 175.328 -0.205 0.000 1.152 503 H CA -0.078 55.887 56.048 -0.139 0.000 1.202 503 H CB 2.222 31.915 29.762 -0.114 0.000 1.562 503 H HN 0.818 nan 8.280 nan 0.000 0.515 504 S N 1.542 117.077 115.700 -0.276 0.000 2.402 504 S HA -0.243 4.226 4.470 -0.001 0.000 0.233 504 S C 2.317 176.797 174.600 -0.201 0.000 1.030 504 S CA 1.421 59.335 58.200 -0.475 0.000 1.003 504 S CB -0.896 61.664 63.200 -1.066 0.000 0.813 504 S HN 0.493 nan 8.310 nan 0.000 0.477 505 L N 1.159 122.317 121.223 -0.109 0.000 2.362 505 L HA 0.133 4.472 4.340 -0.001 0.000 0.219 505 L C 2.178 179.015 176.870 -0.055 0.000 1.134 505 L CA 2.179 56.983 54.840 -0.059 0.000 0.807 505 L CB -1.491 40.544 42.059 -0.040 0.000 0.927 505 L HN 0.389 nan 8.230 nan 0.000 0.447 506 D N -0.940 119.422 120.400 -0.064 0.000 2.339 506 D HA 0.106 4.745 4.640 -0.001 0.000 0.217 506 D C 1.089 177.332 176.300 -0.094 0.000 1.050 506 D CA 0.671 54.621 54.000 -0.084 0.000 0.856 506 D CB 0.319 41.045 40.800 -0.123 0.000 0.922 506 D HN 0.511 nan 8.370 nan 0.000 0.518 507 S N 0.926 116.579 115.700 -0.079 0.000 2.702 507 S HA -0.084 4.386 4.470 -0.001 0.000 0.314 507 S C 1.499 176.057 174.600 -0.070 0.000 1.244 507 S CA 0.011 58.173 58.200 -0.063 0.000 1.058 507 S CB 0.394 63.558 63.200 -0.060 0.000 0.783 507 S HN 0.254 nan 8.310 nan 0.000 0.503 508 S N 3.808 119.473 115.700 -0.058 0.000 2.607 508 S HA 0.034 4.504 4.470 -0.001 0.000 0.224 508 S C 1.176 175.702 174.600 -0.123 0.000 0.969 508 S CA 0.269 58.435 58.200 -0.058 0.000 0.927 508 S CB 0.145 63.340 63.200 -0.009 0.000 0.772 508 S HN 0.557 nan 8.310 nan 0.000 0.533 509 V N 1.791 121.580 119.914 -0.208 0.000 2.949 509 V HA 0.122 4.241 4.120 -0.001 0.000 0.245 509 V C 1.438 177.409 176.094 -0.205 0.000 1.086 509 V CA 1.350 63.390 62.300 -0.433 0.000 1.097 509 V CB 0.042 31.524 31.823 -0.568 0.000 0.762 509 V HN 0.810 nan 8.190 nan 0.000 0.470 510 T N -1.335 113.171 114.554 -0.080 0.000 2.943 510 T HA 0.611 4.960 4.350 -0.001 0.000 0.284 510 T C -0.708 173.972 174.700 -0.033 0.000 1.015 510 T CA -0.509 61.590 62.100 -0.000 0.000 1.042 510 T CB 2.090 70.963 68.868 0.008 0.000 1.055 510 T HN 0.031 nan 8.240 nan 0.000 0.500 511 L N 2.047 123.253 121.223 -0.028 0.000 2.281 511 L HA 0.420 4.759 4.340 -0.001 0.000 0.285 511 L C 1.125 177.892 176.870 -0.171 0.000 1.074 511 L CA 0.264 55.050 54.840 -0.090 0.000 0.817 511 L CB 1.071 43.124 42.059 -0.010 0.000 1.168 511 L HN 0.869 nan 8.230 nan 0.000 0.434 512 S N 3.737 119.212 115.700 -0.376 0.000 2.496 512 S HA 0.104 4.574 4.470 -0.001 0.000 0.224 512 S C -0.162 174.285 174.600 -0.256 0.000 0.996 512 S CA 0.306 58.308 58.200 -0.330 0.000 0.927 512 S CB -0.468 62.522 63.200 -0.350 0.000 0.774 512 S HN 0.802 nan 8.310 nan 0.000 0.524 513 H N -0.225 118.875 119.070 0.051 0.000 3.042 513 H HA 0.602 5.157 4.556 -0.001 0.000 0.345 513 H C -1.546 173.822 175.328 0.067 0.000 1.052 513 H CA -0.907 55.173 56.048 0.054 0.000 1.311 513 H CB 1.089 30.889 29.762 0.063 0.000 1.810 513 H HN -0.063 nan 8.280 nan 0.000 0.505 514 Q N 4.092 123.993 119.800 0.168 0.000 2.533 514 Q HA 0.281 4.621 4.340 -0.001 0.000 0.251 514 Q C -2.831 173.186 176.000 0.028 0.000 0.966 514 Q CA -1.691 54.182 55.803 0.117 0.000 0.714 514 Q CB 1.661 30.456 28.738 0.095 0.000 1.284 514 Q HN 0.583 nan 8.270 nan 0.000 0.478 515 P HA 0.117 nan 4.420 nan 0.000 0.271 515 P C -0.042 177.186 177.300 -0.119 0.000 1.220 515 P CA -0.120 62.892 63.100 -0.146 0.000 0.768 515 P CB 0.911 32.405 31.700 -0.344 0.000 0.848 516 T N -0.100 114.421 114.554 -0.056 0.000 2.619 516 T HA 0.040 4.389 4.350 -0.001 0.000 0.330 516 T C 1.023 175.706 174.700 -0.030 0.000 1.037 516 T CA 0.018 62.114 62.100 -0.007 0.000 1.005 516 T CB -0.013 68.884 68.868 0.048 0.000 1.084 516 T HN 0.173 nan 8.240 nan 0.000 0.521 517 F N 0.663 120.509 119.950 -0.173 0.000 2.206 517 F HA 0.107 4.633 4.527 -0.001 0.000 0.298 517 F C 2.678 178.362 175.800 -0.193 0.000 1.090 517 F CA 1.122 58.946 58.000 -0.294 0.000 1.323 517 F CB -0.097 38.466 39.000 -0.728 0.000 1.028 517 F HN 0.529 nan 8.300 nan 0.000 0.492 518 E N -0.088 120.190 120.200 0.131 0.000 2.511 518 E HA -0.092 4.257 4.350 -0.001 0.000 0.196 518 E C 1.060 177.706 176.600 0.076 0.000 1.066 518 E CA 0.451 56.932 56.400 0.135 0.000 0.871 518 E CB -0.212 29.582 29.700 0.157 0.000 0.863 518 E HN 0.459 nan 8.360 nan 0.000 0.520 519 D N -0.265 120.151 120.400 0.027 0.000 2.262 519 D HA 0.042 4.681 4.640 -0.001 0.000 0.212 519 D C 1.908 178.198 176.300 -0.017 0.000 0.964 519 D CA 0.323 54.313 54.000 -0.017 0.000 0.875 519 D CB 0.265 41.020 40.800 -0.075 0.000 0.996 519 D HN 0.182 nan 8.370 nan 0.000 0.497 520 L N -0.149 121.050 121.223 -0.041 0.000 2.341 520 L HA 0.055 4.395 4.340 -0.001 0.000 0.214 520 L C 0.204 177.098 176.870 0.040 0.000 1.115 520 L CA 0.080 54.897 54.840 -0.037 0.000 0.820 520 L CB 0.174 42.136 42.059 -0.162 0.000 0.944 520 L HN -0.009 nan 8.230 nan 0.000 0.452 532 E N 1.375 121.537 120.200 -0.064 0.000 3.515 532 E HA 0.257 4.607 4.350 -0.001 0.000 0.347 532 E C 1.416 177.838 176.600 -0.295 0.000 0.651 532 E CA 0.340 56.646 56.400 -0.156 0.000 1.581 532 E CB -0.413 29.210 29.700 -0.128 0.000 2.413 532 E HN 0.782 nan 8.360 nan 0.000 0.520 533 Y N 0.301 120.319 120.300 -0.470 0.000 2.466 533 Y HA 0.402 4.952 4.550 -0.001 0.000 0.272 533 Y C 0.593 176.072 175.900 -0.702 0.000 1.169 533 Y CA -1.229 56.261 58.100 -1.016 0.000 1.285 533 Y CB -0.432 37.529 38.460 -0.831 0.000 1.078 533 Y HN -0.056 nan 8.280 nan 0.000 0.523 534 c N 0.658 118.983 118.600 -0.458 0.000 2.398 534 c HA 0.343 4.912 4.570 -0.001 0.000 0.364 534 c C 1.566 175.552 174.090 -0.173 0.000 1.219 534 c CA -0.274 55.883 56.329 -0.287 0.000 2.312 534 c CB 1.260 43.591 42.510 -0.299 0.000 2.428 534 c HN 0.561 nan 8.230 nan 0.000 0.564 535 S N -0.173 115.382 115.700 -0.241 0.000 2.575 535 S HA 0.008 4.477 4.470 -0.001 0.000 0.215 535 S C 0.618 175.145 174.600 -0.122 0.000 0.966 535 S CA -0.114 57.898 58.200 -0.313 0.000 0.911 535 S CB -0.051 62.606 63.200 -0.904 0.000 0.780 535 S HN 0.891 nan 8.310 nan 0.000 0.514 536 c N 2.382 120.995 118.600 0.022 0.000 2.605 536 c HA 0.664 5.233 4.570 -0.001 0.000 0.404 536 c C 0.796 175.074 174.090 0.312 0.000 1.284 536 c CA 0.516 57.006 56.329 0.268 0.000 2.199 536 c CB -0.653 41.987 42.510 0.218 0.000 2.647 536 c HN 0.595 nan 8.230 nan 0.000 0.604 537 G N 5.108 114.227 108.800 0.531 0.000 2.322 537 G HA2 0.148 4.107 3.960 -0.001 0.000 0.289 537 G HA3 0.148 4.107 3.960 -0.001 0.000 0.289 537 G C -1.098 173.935 174.900 0.223 0.000 1.687 537 G CA -0.572 44.733 45.100 0.342 0.000 0.944 537 G HN 1.039 nan 8.290 nan 0.000 0.718 538 W N 3.679 124.898 121.300 -0.135 0.000 2.181 538 W HA 0.359 5.018 4.660 -0.002 0.000 0.335 538 W C -1.730 174.696 176.519 -0.155 0.000 1.310 538 W CA -1.295 55.891 57.345 -0.265 0.000 1.226 538 W CB 1.133 30.489 29.460 -0.174 0.000 1.155 538 W HN 0.416 nan 8.180 nan 0.000 0.565 539 P HA -0.090 nan 4.420 nan 0.000 0.261 539 P C 0.474 177.561 177.300 -0.356 0.000 1.183 539 P CA 0.706 63.488 63.100 -0.530 0.000 0.761 539 P CB 0.920 32.094 31.700 -0.877 0.000 0.785 540 S N 2.840 118.448 115.700 -0.154 0.000 2.387 540 S HA -0.191 4.278 4.470 -0.001 0.000 0.230 540 S C 1.686 176.347 174.600 0.102 0.000 1.035 540 S CA 1.404 59.610 58.200 0.010 0.000 1.014 540 S CB -0.954 62.275 63.200 0.048 0.000 0.836 540 S HN 0.687 nan 8.310 nan 0.000 0.466 541 H N -0.553 118.544 119.070 0.044 0.000 2.545 541 H HA 0.122 4.677 4.556 -0.001 0.000 0.282 541 H C 1.004 176.447 175.328 0.191 0.000 1.020 541 H CA 0.598 56.699 56.048 0.089 0.000 1.243 541 H CB -0.240 29.466 29.762 -0.093 0.000 1.377 541 H HN 0.296 nan 8.280 nan 0.000 0.581 542 L N 1.537 122.719 121.223 -0.069 0.000 2.928 542 L HA 0.114 4.454 4.340 -0.001 0.000 0.246 542 L C 1.854 178.900 176.870 0.295 0.000 1.239 542 L CA 0.020 54.928 54.840 0.113 0.000 1.035 542 L CB 0.205 42.213 42.059 -0.085 0.000 1.360 542 L HN 0.197 nan 8.230 nan 0.000 0.529 543 L N -0.604 120.732 121.223 0.189 0.000 1.994 543 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 543 L C 0.888 177.781 176.870 0.038 0.000 1.071 543 L CA 1.667 56.569 54.840 0.104 0.000 0.745 543 L CB 0.088 42.104 42.059 -0.071 0.000 0.892 543 L HN 0.174 nan 8.230 nan 0.000 0.431 544 V N -3.643 116.241 119.914 -0.049 0.000 3.193 544 V HA 0.530 4.649 4.120 -0.001 0.000 0.320 544 V C -2.347 173.742 176.094 -0.008 0.000 1.112 544 V CA -1.990 60.269 62.300 -0.068 0.000 1.026 544 V CB 0.404 32.133 31.823 -0.157 0.000 1.128 544 V HN 0.047 nan 8.190 nan 0.000 0.452 545 P HA 0.260 nan 4.420 nan 0.000 0.277 545 P C 0.538 177.854 177.300 0.027 0.000 1.276 545 P CA -0.526 62.589 63.100 0.024 0.000 0.788 545 P CB 0.642 32.361 31.700 0.031 0.000 1.114 546 K N 0.386 120.828 120.400 0.071 0.000 2.031 546 K HA -0.008 4.311 4.320 -0.001 0.000 0.205 546 K C 0.968 177.582 176.600 0.024 0.000 1.049 546 K CA 1.498 57.773 56.287 -0.020 0.000 0.939 546 K CB -0.935 31.420 32.500 -0.242 0.000 0.717 546 K HN 0.740 nan 8.250 nan 0.000 0.438 547 G N 0.882 109.729 108.800 0.079 0.000 2.698 547 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.233 547 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.233 547 G C -0.762 174.180 174.900 0.070 0.000 1.352 547 G CA 0.073 45.270 45.100 0.162 0.000 0.879 547 G HN 0.645 nan 8.290 nan 0.000 0.567 548 N N -2.388 116.372 118.700 0.100 0.000 2.890 548 N HA 0.637 5.376 4.740 -0.001 0.000 0.317 548 N C 0.913 176.529 175.510 0.176 0.000 1.355 548 N CA -0.079 53.024 53.050 0.088 0.000 0.803 548 N CB 1.028 39.543 38.487 0.046 0.000 1.465 548 N HN 0.675 nan 8.380 nan 0.000 0.591 549 V N -0.593 119.435 119.914 0.191 0.000 2.490 549 V HA -0.129 3.991 4.120 -0.001 0.000 0.250 549 V C 2.023 178.193 176.094 0.126 0.000 1.061 549 V CA 2.363 64.780 62.300 0.195 0.000 1.064 549 V CB -1.182 30.752 31.823 0.185 0.000 0.670 549 V HN 0.848 nan 8.190 nan 0.000 0.461 550 A N -0.969 121.908 122.820 0.094 0.000 2.021 550 A HA 0.443 4.763 4.320 -0.001 0.000 0.216 550 A C 1.352 178.978 177.584 0.069 0.000 1.163 550 A CA 1.050 53.129 52.037 0.069 0.000 0.676 550 A CB -0.237 18.791 19.000 0.046 0.000 0.818 550 A HN 1.353 nan 8.150 nan 0.000 0.453 551 G N -0.903 107.945 108.800 0.080 0.000 3.380 551 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.685 551 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.685 551 G C -0.441 174.504 174.900 0.076 0.000 1.136 551 G CA -0.036 45.107 45.100 0.071 0.000 1.011 551 G HN 0.572 nan 8.290 nan 0.000 0.471 552 M N 1.892 121.558 119.600 0.111 0.000 2.216 552 M HA 0.405 4.884 4.480 -0.001 0.000 0.356 552 M C 0.598 176.970 176.300 0.120 0.000 1.205 552 M CA -0.333 55.024 55.300 0.095 0.000 1.122 552 M CB 0.554 33.223 32.600 0.114 0.000 1.571 552 M HN 0.554 nan 8.290 nan 0.000 0.464 553 E N 3.523 123.722 120.200 -0.001 0.000 2.289 553 E HA 0.222 4.572 4.350 -0.001 0.000 0.278 553 E C -1.851 174.597 176.600 -0.253 0.000 1.032 553 E CA 0.057 56.436 56.400 -0.034 0.000 0.854 553 E CB 0.941 30.625 29.700 -0.026 0.000 1.046 553 E HN 0.496 nan 8.360 nan 0.000 0.409 554 Y N 0.290 120.505 120.300 -0.142 0.000 2.492 554 Y HA 0.222 4.771 4.550 -0.001 0.000 0.346 554 Y C -0.364 175.466 175.900 -0.117 0.000 0.997 554 Y CA -0.867 57.136 58.100 -0.160 0.000 1.025 554 Y CB 1.520 39.938 38.460 -0.070 0.000 1.263 554 Y HN 0.517 nan 8.280 nan 0.000 0.454 555 H N 2.697 121.846 119.070 0.131 0.000 2.690 555 H HA 0.377 4.932 4.556 -0.001 0.000 0.314 555 H C -0.941 174.502 175.328 0.193 0.000 1.069 555 H CA -0.543 55.575 56.048 0.115 0.000 1.436 555 H CB 1.077 30.889 29.762 0.083 0.000 1.462 555 H HN 0.365 nan 8.280 nan 0.000 0.511 556 L N 5.392 126.806 121.223 0.318 0.000 2.277 556 L HA 0.284 4.623 4.340 -0.001 0.000 0.284 556 L C -1.384 175.692 176.870 0.344 0.000 1.028 556 L CA -0.519 54.504 54.840 0.304 0.000 0.835 556 L CB -0.085 42.122 42.059 0.248 0.000 1.215 556 L HN 0.472 nan 8.230 nan 0.000 0.425 557 F N 5.542 125.640 119.950 0.247 0.000 2.394 557 F HA 0.695 5.222 4.527 -0.000 0.000 0.340 557 F C -0.740 175.200 175.800 0.234 0.000 1.105 557 F CA -0.303 57.847 58.000 0.250 0.000 1.124 557 F CB 1.228 40.437 39.000 0.349 0.000 1.145 557 F HN 0.200 nan 8.300 nan 0.000 0.505 558 V N 7.869 127.581 119.914 -0.337 0.000 2.638 558 V HA 0.442 4.561 4.120 -0.001 0.000 0.306 558 V C -0.603 175.207 176.094 -0.475 0.000 1.052 558 V CA -0.793 61.374 62.300 -0.221 0.000 0.885 558 V CB 1.820 33.593 31.823 -0.083 0.000 0.999 558 V HN 0.894 nan 8.190 nan 0.000 0.424 559 M N 5.713 125.169 119.600 -0.241 0.000 2.393 559 M HA 0.619 5.099 4.480 -0.001 0.000 0.299 559 M C -2.167 174.109 176.300 -0.041 0.000 1.103 559 M CA -0.611 54.586 55.300 -0.173 0.000 0.910 559 M CB 1.921 34.516 32.600 -0.009 0.000 1.659 559 M HN 0.458 nan 8.290 nan 0.000 0.445 560 L N 4.319 125.546 121.223 0.006 0.000 2.325 560 L HA 0.580 4.919 4.340 -0.001 0.000 0.281 560 L C -0.133 176.853 176.870 0.192 0.000 1.004 560 L CA -0.582 54.309 54.840 0.085 0.000 0.823 560 L CB 1.712 43.846 42.059 0.124 0.000 1.236 560 L HN 0.781 nan 8.230 nan 0.000 0.415 561 T N -2.308 112.264 114.554 0.031 0.000 2.942 561 T HA 0.306 4.656 4.350 -0.001 0.000 0.289 561 T C -0.343 173.975 174.700 -0.636 0.000 1.044 561 T CA -0.836 61.135 62.100 -0.216 0.000 1.023 561 T CB 2.470 71.275 68.868 -0.106 0.000 1.123 561 T HN 0.349 nan 8.240 nan 0.000 0.512 562 D N 0.524 120.269 120.400 -1.092 0.000 2.342 562 D HA 0.025 4.665 4.640 -0.001 0.000 0.260 562 D C 0.325 176.443 176.300 -0.303 0.000 1.278 562 D CA -0.412 52.999 54.000 -0.982 0.000 0.910 562 D CB 0.304 40.602 40.800 -0.836 0.000 1.079 562 D HN 0.709 nan 8.370 nan 0.000 0.496 563 W N 4.141 125.283 121.300 -0.264 0.000 2.387 563 W HA -0.154 4.505 4.660 -0.001 0.000 0.272 563 W C 1.169 177.618 176.519 -0.115 0.000 1.224 563 W CA 0.791 58.056 57.345 -0.134 0.000 1.210 563 W CB 0.275 29.715 29.460 -0.034 0.000 1.125 563 W HN 0.392 nan 8.180 nan 0.000 0.572 564 D N -0.341 120.011 120.400 -0.080 0.000 2.347 564 D HA -0.089 4.551 4.640 -0.001 0.000 0.215 564 D C 1.653 177.793 176.300 -0.266 0.000 0.976 564 D CA 1.076 54.936 54.000 -0.234 0.000 0.884 564 D CB -0.065 40.696 40.800 -0.065 0.000 0.915 564 D HN 0.331 nan 8.370 nan 0.000 0.526 565 K N -0.041 120.210 120.400 -0.249 0.000 2.335 565 K HA 0.022 4.341 4.320 -0.001 0.000 0.195 565 K C 0.878 177.322 176.600 -0.260 0.000 1.058 565 K CA 0.291 56.441 56.287 -0.228 0.000 0.988 565 K CB 0.719 33.094 32.500 -0.208 0.000 0.880 565 K HN -0.046 nan 8.250 nan 0.000 0.513 566 D N 1.678 121.896 120.400 -0.303 0.000 2.240 566 D HA -0.063 4.576 4.640 -0.001 0.000 0.206 566 D C 0.133 176.244 176.300 -0.315 0.000 0.963 566 D CA 0.661 54.497 54.000 -0.274 0.000 0.863 566 D CB 0.017 40.696 40.800 -0.202 0.000 0.973 566 D HN 0.157 nan 8.370 nan 0.000 0.501 567 K N 1.220 121.288 120.400 -0.553 0.000 2.451 567 K HA 0.267 4.586 4.320 -0.001 0.000 0.280 567 K C -0.395 176.019 176.600 -0.309 0.000 1.020 567 K CA -0.119 55.831 56.287 -0.561 0.000 1.008 567 K CB 0.863 32.707 32.500 -1.094 0.000 0.917 567 K HN -0.262 nan 8.250 nan 0.000 0.478 568 V N 1.658 121.475 119.914 -0.163 0.000 2.326 568 V HA 0.452 4.572 4.120 -0.001 0.000 0.281 568 V C 0.272 176.352 176.094 -0.024 0.000 1.015 568 V CA 0.288 62.534 62.300 -0.090 0.000 0.823 568 V CB -0.450 31.346 31.823 -0.045 0.000 1.009 568 V HN 1.152 nan 8.190 nan 0.000 0.436 575 A N 4.333 127.104 122.820 -0.082 0.000 2.271 575 A HA 0.688 5.008 4.320 -0.001 0.000 0.288 575 A C 0.948 178.398 177.584 -0.223 0.000 1.094 575 A CA 0.424 52.371 52.037 -0.149 0.000 0.828 575 A CB 0.623 19.528 19.000 -0.158 0.000 1.091 575 A HN 2.248 nan 8.150 nan 0.000 0.493 576 c N -0.685 117.729 118.600 -0.311 0.000 4.209 576 c HA -0.101 4.468 4.570 -0.001 0.000 0.305 576 c C 1.164 175.177 174.090 -0.128 0.000 1.339 576 c CA 0.645 56.816 56.329 -0.264 0.000 2.062 576 c CB -3.344 38.954 42.510 -0.355 0.000 1.307 576 c HN 1.615 nan 8.230 nan 0.000 0.706 577 V N -3.029 116.830 119.914 -0.093 0.000 3.121 577 V HA 0.265 4.384 4.120 -0.001 0.000 0.344 577 V C 1.423 177.497 176.094 -0.034 0.000 1.390 577 V CA 1.289 63.554 62.300 -0.057 0.000 1.177 577 V CB 0.348 32.127 31.823 -0.073 0.000 1.163 577 V HN 0.510 nan 8.190 nan 0.000 0.484 578 D N 2.972 123.356 120.400 -0.028 0.000 2.117 578 D HA -0.028 4.612 4.640 -0.001 0.000 0.197 578 D C 1.300 177.582 176.300 -0.030 0.000 0.987 578 D CA 1.973 55.956 54.000 -0.029 0.000 0.829 578 D CB 0.232 41.016 40.800 -0.026 0.000 0.961 578 D HN 0.662 nan 8.370 nan 0.000 0.460 579 A N -0.307 122.517 122.820 0.007 0.000 3.105 579 A HA 0.424 4.743 4.320 -0.001 0.000 0.297 579 A C 1.573 179.208 177.584 0.085 0.000 0.977 579 A CA -0.175 51.882 52.037 0.034 0.000 1.020 579 A CB 0.016 19.074 19.000 0.097 0.000 1.098 579 A HN 0.045 nan 8.150 nan 0.000 0.497 580 V N -0.378 119.559 119.914 0.039 0.000 2.278 580 V HA -0.297 3.822 4.120 -0.001 0.000 0.251 580 V C 2.468 178.643 176.094 0.136 0.000 1.062 580 V CA 2.734 65.057 62.300 0.038 0.000 1.038 580 V CB -1.483 30.299 31.823 -0.068 0.000 0.646 580 V HN 0.556 nan 8.190 nan 0.000 0.447 581 S N -0.841 114.938 115.700 0.132 0.000 2.372 581 S HA -0.213 4.256 4.470 -0.001 0.000 0.227 581 S C 1.879 176.868 174.600 0.648 0.000 1.044 581 S CA 2.335 60.718 58.200 0.305 0.000 1.050 581 S CB -0.442 62.789 63.200 0.051 0.000 0.901 581 S HN 0.680 nan 8.310 nan 0.000 0.447 582 Y N -0.978 119.509 120.300 0.311 0.000 2.524 582 Y HA 0.273 4.823 4.550 -0.000 0.000 0.270 582 Y C 2.198 178.411 175.900 0.520 0.000 1.094 582 Y CA -1.176 57.127 58.100 0.337 0.000 1.276 582 Y CB -0.739 37.850 38.460 0.216 0.000 1.130 582 Y HN 0.290 nan 8.280 nan 0.000 0.536 583 c N -0.771 118.190 118.600 0.602 0.000 3.070 583 c HA 0.616 5.185 4.570 -0.001 0.000 0.280 583 c C 1.572 175.943 174.090 0.468 0.000 1.264 583 c CA 0.217 56.870 56.329 0.539 0.000 1.690 583 c CB -0.688 42.049 42.510 0.378 0.000 2.049 583 c HN 0.747 nan 8.230 nan 0.000 0.636 584 G N 1.229 110.290 108.800 0.435 0.000 2.598 584 G HA2 0.228 4.187 3.960 -0.001 0.000 0.244 584 G HA3 0.228 4.187 3.960 -0.001 0.000 0.244 584 G C -0.464 174.528 174.900 0.152 0.000 1.302 584 G CA -0.024 45.297 45.100 0.369 0.000 0.903 584 G HN 1.257 nan 8.290 nan 0.000 0.575 585 A N -0.591 122.302 122.820 0.122 0.000 2.401 585 A HA 0.831 5.150 4.320 -0.001 0.000 0.310 585 A C 0.337 177.938 177.584 0.027 0.000 1.075 585 A CA 0.219 52.277 52.037 0.035 0.000 0.746 585 A CB 1.501 20.515 19.000 0.024 0.000 1.277 585 A HN 1.071 nan 8.150 nan 0.000 0.425 586 R N 1.511 121.985 120.500 -0.043 0.000 2.442 586 R HA 0.145 4.485 4.340 -0.001 0.000 0.291 586 R C -0.520 175.798 176.300 0.029 0.000 1.069 586 R CA 0.615 56.684 56.100 -0.053 0.000 1.022 586 R CB -0.002 30.230 30.300 -0.113 0.000 0.976 586 R HN 0.850 nan 8.270 nan 0.000 0.443 587 D N 0.611 121.035 120.400 0.039 0.000 3.059 587 D HA -0.272 4.367 4.640 -0.001 0.000 0.222 587 D C -0.227 176.150 176.300 0.129 0.000 1.185 587 D CA 1.399 55.448 54.000 0.082 0.000 0.904 587 D CB -0.873 39.986 40.800 0.098 0.000 1.122 587 D HN 0.647 nan 8.370 nan 0.000 0.410 588 H N 0.608 119.688 119.070 0.017 0.000 2.797 588 H HA 0.375 4.930 4.556 -0.001 0.000 0.372 588 H C -0.087 175.266 175.328 0.043 0.000 1.168 588 H CA -0.708 55.356 56.048 0.026 0.000 1.163 588 H CB 1.841 31.611 29.762 0.013 0.000 1.778 588 H HN -0.041 nan 8.280 nan 0.000 0.551 589 K N 1.804 122.090 120.400 -0.190 0.000 2.126 589 K HA 0.091 4.411 4.320 -0.001 0.000 0.257 589 K C -0.563 176.123 176.600 0.143 0.000 1.007 589 K CA -0.736 55.543 56.287 -0.014 0.000 0.928 589 K CB 0.822 33.274 32.500 -0.079 0.000 1.013 589 K HN 0.346 nan 8.250 nan 0.000 0.473 590 Y N 3.464 123.809 120.300 0.076 0.000 2.846 590 Y HA -0.037 4.512 4.550 -0.001 0.000 0.352 590 Y C -1.570 174.386 175.900 0.094 0.000 1.298 590 Y CA -1.345 56.816 58.100 0.101 0.000 1.634 590 Y CB 0.390 38.891 38.460 0.067 0.000 1.214 590 Y HN 0.548 nan 8.280 nan 0.000 0.529 591 P HA 0.029 nan 4.420 nan 0.000 0.254 591 P C -1.010 176.251 177.300 -0.065 0.000 1.631 591 P CA 0.521 63.604 63.100 -0.028 0.000 0.861 591 P CB 0.097 31.788 31.700 -0.015 0.000 1.663 592 D N 0.070 120.474 120.400 0.006 0.000 2.861 592 D HA 0.126 4.765 4.640 -0.001 0.000 0.216 592 D C 0.654 177.011 176.300 0.095 0.000 1.323 592 D CA -0.437 53.587 54.000 0.041 0.000 0.917 592 D CB 1.586 42.443 40.800 0.095 0.000 1.582 592 D HN -0.241 nan 8.370 nan 0.000 0.576 593 K N 1.484 121.865 120.400 -0.031 0.000 2.296 593 K HA 0.081 4.400 4.320 -0.001 0.000 0.200 593 K C 0.590 177.132 176.600 -0.097 0.000 1.048 593 K CA 0.323 56.578 56.287 -0.053 0.000 0.966 593 K CB 0.350 32.786 32.500 -0.107 0.000 0.754 593 K HN 0.174 nan 8.250 nan 0.000 0.466 594 K N 2.182 122.482 120.400 -0.167 0.000 2.355 594 K HA 0.065 4.384 4.320 -0.001 0.000 0.270 594 K C -2.409 174.123 176.600 -0.114 0.000 1.003 594 K CA -1.617 54.497 56.287 -0.288 0.000 0.957 594 K CB 0.327 32.480 32.500 -0.578 0.000 0.939 594 K HN -0.085 nan 8.250 nan 0.000 0.482 595 P HA -0.033 nan 4.420 nan 0.000 0.271 595 P C -0.589 176.708 177.300 -0.005 0.000 1.216 595 P CA 0.244 63.355 63.100 0.017 0.000 0.776 595 P CB 0.479 32.249 31.700 0.117 0.000 0.881 596 M N 2.026 121.530 119.600 -0.160 0.000 2.303 596 M HA 0.212 4.692 4.480 -0.001 0.000 0.350 596 M C 1.374 177.383 176.300 -0.485 0.000 1.518 596 M CA 1.245 56.238 55.300 -0.512 0.000 1.070 596 M CB -0.606 31.500 32.600 -0.823 0.000 1.910 596 M HN 0.806 nan 8.290 nan 0.000 0.458 597 G N 3.289 111.926 108.800 -0.272 0.000 2.179 597 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.220 597 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.220 597 G C -0.134 174.856 174.900 0.149 0.000 0.990 597 G CA -0.694 44.522 45.100 0.193 0.000 0.646 597 G HN 0.676 nan 8.290 nan 0.000 0.517 598 F N 3.299 123.236 119.950 -0.021 0.000 2.607 598 F HA 0.468 4.994 4.527 -0.001 0.000 0.374 598 F C -0.561 175.046 175.800 -0.322 0.000 1.104 598 F CA -0.753 57.169 58.000 -0.130 0.000 1.296 598 F CB 1.064 40.000 39.000 -0.107 0.000 1.085 598 F HN -0.027 nan 8.300 nan 0.000 0.584 599 P HA 0.035 nan 4.420 nan 0.000 0.261 599 P C 0.039 176.881 177.300 -0.763 0.000 1.352 599 P CA 0.448 62.774 63.100 -1.289 0.000 0.891 599 P CB -0.262 30.666 31.700 -1.286 0.000 1.383 600 F N 1.491 121.225 119.950 -0.360 0.000 2.663 600 F HA 0.098 4.625 4.527 -0.001 0.000 0.299 600 F C 1.597 177.336 175.800 -0.101 0.000 1.143 600 F CA -0.247 57.571 58.000 -0.303 0.000 1.387 600 F CB -0.482 38.261 39.000 -0.428 0.000 1.019 600 F HN 0.012 nan 8.300 nan 0.000 0.523 601 D N -0.928 119.542 120.400 0.117 0.000 2.380 601 D HA 0.006 4.645 4.640 -0.001 0.000 0.212 601 D C 0.800 177.097 176.300 -0.004 0.000 1.021 601 D CA 0.203 54.284 54.000 0.135 0.000 0.884 601 D CB 0.201 41.120 40.800 0.198 0.000 1.001 601 D HN 0.145 nan 8.370 nan 0.000 0.506 602 R N 1.473 121.909 120.500 -0.106 0.000 2.573 602 R HA 0.398 4.737 4.340 -0.001 0.000 0.272 602 R C -2.379 173.767 176.300 -0.257 0.000 1.009 602 R CA -1.910 54.016 56.100 -0.290 0.000 1.059 602 R CB 0.559 30.498 30.300 -0.602 0.000 1.112 602 R HN 0.067 nan 8.270 nan 0.000 0.517 603 P HA 0.068 nan 4.420 nan 0.000 0.267 603 P C -0.367 176.708 177.300 -0.374 0.000 1.205 603 P CA 0.443 63.381 63.100 -0.270 0.000 0.765 603 P CB 0.453 32.019 31.700 -0.222 0.000 0.828 604 I N 4.051 124.462 120.570 -0.265 0.000 2.304 604 I HA 0.177 4.346 4.170 -0.001 0.000 0.291 604 I C 1.668 177.745 176.117 -0.068 0.000 1.018 604 I CA -0.489 60.657 61.300 -0.257 0.000 1.260 604 I CB 0.481 38.250 38.000 -0.384 0.000 1.390 604 I HN 0.462 nan 8.210 nan 0.000 0.475 605 H N 2.656 121.693 119.070 -0.055 0.000 2.544 605 H HA -0.006 4.549 4.556 -0.001 0.000 0.269 605 H C 0.986 176.293 175.328 -0.034 0.000 0.970 605 H CA -0.019 56.004 56.048 -0.042 0.000 1.219 605 H CB 0.355 30.102 29.762 -0.024 0.000 1.421 605 H HN 0.622 nan 8.280 nan 0.000 0.555 606 T N -1.465 113.147 114.554 0.097 0.000 2.860 606 T HA -0.015 4.334 4.350 -0.001 0.000 0.299 606 T C 1.202 175.886 174.700 -0.026 0.000 1.045 606 T CA -0.499 61.634 62.100 0.055 0.000 1.071 606 T CB 2.243 71.175 68.868 0.107 0.000 0.985 606 T HN 0.317 nan 8.240 nan 0.000 0.537 607 E N 0.556 120.694 120.200 -0.102 0.000 2.060 607 E HA -0.043 4.306 4.350 -0.001 0.000 0.189 607 E C -0.110 176.283 176.600 -0.346 0.000 0.974 607 E CA 0.551 56.785 56.400 -0.276 0.000 0.808 607 E CB 0.141 29.570 29.700 -0.452 0.000 0.768 607 E HN 0.829 nan 8.360 nan 0.000 0.453 608 H N -0.674 118.401 119.070 0.009 0.000 2.472 608 H HA 0.152 4.707 4.556 -0.001 0.000 0.338 608 H C 0.447 175.777 175.328 0.003 0.000 1.133 608 H CA -0.603 55.444 56.048 -0.002 0.000 1.216 608 H CB 1.903 31.668 29.762 0.004 0.000 1.497 608 H HN 0.018 nan 8.280 nan 0.000 0.500 609 I N 1.623 122.237 120.570 0.073 0.000 2.756 609 I HA -0.207 3.962 4.170 -0.001 0.000 0.262 609 I C 1.843 178.039 176.117 0.131 0.000 1.225 609 I CA 1.243 62.580 61.300 0.062 0.000 1.472 609 I CB -0.341 37.612 38.000 -0.078 0.000 1.094 609 I HN 0.725 nan 8.210 nan 0.000 0.454 610 S N -1.009 114.729 115.700 0.064 0.000 2.453 610 S HA -0.097 4.372 4.470 -0.001 0.000 0.231 610 S C 1.572 176.209 174.600 0.062 0.000 1.005 610 S CA 0.940 59.156 58.200 0.026 0.000 0.949 610 S CB -0.478 62.704 63.200 -0.030 0.000 0.774 610 S HN 0.457 nan 8.310 nan 0.000 0.510 611 D N 0.514 120.984 120.400 0.116 0.000 2.363 611 D HA 0.090 4.729 4.640 -0.001 0.000 0.220 611 D C 1.124 177.502 176.300 0.130 0.000 0.994 611 D CA 0.343 54.408 54.000 0.108 0.000 0.890 611 D CB -0.183 40.697 40.800 0.133 0.000 0.906 611 D HN 0.552 nan 8.370 nan 0.000 0.530 612 F N 1.423 121.374 119.950 0.002 0.000 2.664 612 F HA 0.134 4.660 4.527 -0.000 0.000 0.296 612 F C 0.577 176.358 175.800 -0.032 0.000 1.125 612 F CA -0.030 57.961 58.000 -0.015 0.000 1.444 612 F CB -0.001 38.995 39.000 -0.007 0.000 1.114 612 F HN -0.262 nan 8.300 nan 0.000 0.576 613 L N 2.614 123.757 121.223 -0.135 0.000 2.455 613 L HA 0.175 4.514 4.340 -0.001 0.000 0.272 613 L C 0.899 177.607 176.870 -0.270 0.000 1.174 613 L CA -0.180 54.513 54.840 -0.246 0.000 0.869 613 L CB 0.202 42.199 42.059 -0.103 0.000 1.130 613 L HN 0.195 nan 8.230 nan 0.000 0.474 614 T N -1.177 113.171 114.554 -0.344 0.000 2.880 614 T HA 0.205 4.554 4.350 -0.001 0.000 0.279 614 T C 0.859 175.474 174.700 -0.142 0.000 0.990 614 T CA -0.665 61.262 62.100 -0.289 0.000 0.938 614 T CB 0.894 69.525 68.868 -0.395 0.000 1.206 614 T HN 0.514 nan 8.240 nan 0.000 0.573 615 N N 1.147 119.808 118.700 -0.065 0.000 2.309 615 N HA -0.084 4.656 4.740 -0.001 0.000 0.182 615 N C 1.415 176.906 175.510 -0.031 0.000 1.018 615 N CA 0.833 53.869 53.050 -0.023 0.000 0.876 615 N CB -0.198 38.290 38.487 0.000 0.000 0.972 615 N HN 0.695 nan 8.380 nan 0.000 0.434 616 N N 0.566 119.243 118.700 -0.038 0.000 2.362 616 N HA 0.008 4.748 4.740 -0.001 0.000 0.204 616 N C -0.527 174.936 175.510 -0.077 0.000 1.166 616 N CA 0.233 53.269 53.050 -0.024 0.000 0.831 616 N CB 0.221 38.754 38.487 0.075 0.000 1.008 616 N HN 0.227 nan 8.380 nan 0.000 0.472 617 M N 0.290 119.819 119.600 -0.120 0.000 2.530 617 M HA 0.474 4.954 4.480 -0.001 0.000 0.307 617 M C -1.755 174.489 176.300 -0.093 0.000 1.161 617 M CA -0.832 54.324 55.300 -0.241 0.000 0.903 617 M CB 2.647 35.051 32.600 -0.326 0.000 1.711 617 M HN -0.076 nan 8.290 nan 0.000 0.451 618 F N 2.209 121.949 119.950 -0.349 0.000 2.615 618 F HA 0.635 5.162 4.527 -0.001 0.000 0.312 618 F C -1.831 173.879 175.800 -0.151 0.000 1.119 618 F CA -0.582 57.305 58.000 -0.189 0.000 0.979 618 F CB 1.433 40.356 39.000 -0.128 0.000 1.266 618 F HN 0.439 nan 8.300 nan 0.000 0.444 619 I N 5.227 125.504 120.570 -0.489 0.000 2.362 619 I HA 0.354 4.524 4.170 -0.001 0.000 0.289 619 I C -0.975 175.020 176.117 -0.204 0.000 0.994 619 I CA -0.969 60.228 61.300 -0.171 0.000 1.158 619 I CB 1.794 39.733 38.000 -0.101 0.000 1.315 619 I HN 0.349 nan 8.210 nan 0.000 0.451 620 K N 4.995 125.464 120.400 0.115 0.000 2.274 620 K HA 0.355 4.674 4.320 -0.001 0.000 0.262 620 K C -1.167 175.525 176.600 0.154 0.000 0.961 620 K CA -0.507 55.888 56.287 0.180 0.000 0.833 620 K CB 0.988 33.656 32.500 0.280 0.000 1.102 620 K HN 0.284 nan 8.250 nan 0.000 0.436 621 D N 4.210 124.681 120.400 0.118 0.000 2.295 621 D HA 0.260 4.900 4.640 -0.001 0.000 0.248 621 D C 0.127 176.478 176.300 0.085 0.000 1.154 621 D CA -0.079 53.984 54.000 0.106 0.000 0.857 621 D CB 0.322 41.165 40.800 0.073 0.000 1.117 621 D HN 0.580 nan 8.370 nan 0.000 0.468 622 I N -1.197 119.423 120.570 0.082 0.000 3.237 622 I HA 0.653 4.822 4.170 -0.001 0.000 0.308 622 I C -0.426 175.725 176.117 0.057 0.000 1.093 622 I CA -0.989 60.340 61.300 0.047 0.000 1.001 622 I CB 1.644 39.649 38.000 0.008 0.000 1.245 622 I HN -0.126 nan 8.210 nan 0.000 0.485 623 K N 1.759 122.171 120.400 0.020 0.000 2.468 623 K HA 0.637 4.956 4.320 -0.001 0.000 0.252 623 K C -1.538 175.050 176.600 -0.020 0.000 0.932 623 K CA -0.387 55.927 56.287 0.045 0.000 0.794 623 K CB 2.354 34.869 32.500 0.025 0.000 1.241 623 K HN 0.516 nan 8.250 nan 0.000 0.428 624 I N 2.956 123.550 120.570 0.040 0.000 2.354 624 I HA 0.300 4.470 4.170 -0.001 0.000 0.292 624 I C -0.450 175.679 176.117 0.019 0.000 0.989 624 I CA -0.671 60.600 61.300 -0.047 0.000 1.188 624 I CB 1.547 39.480 38.000 -0.112 0.000 1.342 624 I HN 0.406 nan 8.210 nan 0.000 0.457 625 K N 7.108 127.487 120.400 -0.035 0.000 2.323 625 K HA 0.423 4.743 4.320 -0.001 0.000 0.259 625 K C -1.359 175.364 176.600 0.206 0.000 0.947 625 K CA -0.498 55.829 56.287 0.067 0.000 0.819 625 K CB 1.649 34.141 32.500 -0.015 0.000 1.109 625 K HN 0.401 nan 8.250 nan 0.000 0.429 626 F N 2.945 122.942 119.950 0.078 0.000 2.403 626 F HA 0.575 5.102 4.527 -0.000 0.000 0.326 626 F C 0.100 175.976 175.800 0.127 0.000 1.081 626 F CA 0.552 58.606 58.000 0.090 0.000 1.041 626 F CB 0.948 39.961 39.000 0.021 0.000 1.234 626 F HN 0.783 nan 8.300 nan 0.000 0.503 627 H N 0.000 118.545 119.070 -0.875 0.000 2.539 627 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 627 H CA 0.000 55.661 56.048 -0.644 0.000 1.023 627 H CB 0.000 29.635 29.762 -0.212 0.000 1.292 627 H HN 0.000 nan 8.280 nan 0.000 0.496