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 3mo4_1_A DATA FIRST_RESID 7 DATA SEQUENCE AGINLNYLAN VRPSSRQLAW QRXEXYAFLH FGXNTXTDRE WGLGHEDPAL DATA SEQUENCE FNPRNVDVDQ WXDALVAGGX AGVILTCKHH DGFCLWPSRL TRHTVASSPW DATA SEQUENCE REGKGDLVRE VSESARRHGL KFGVYLSPWD RTEESYGKGK AYDDFYVGQL DATA SEQUENCE TELLTQYGPI FSVWLDGANG EGKNGKTQYY DWDRYYNVIR SLQPDAVISV DATA SEQUENCE CGPDVRWAGN EAGHVRDNEW SVVPRRLRSA XXXXXXXXXX XXXXXXXTVS DATA SEQUENCE SQDDDLGSRE AVAGYGDNVC WYPAEVDTSI RPGWFYHQSE DDKVXSADQL DATA SEQUENCE FDLWLSAVGG NSSLLLNIPP SPEGLLAEPD VQSLKGLGRR VSEFREALAS DATA SEQUENCE VRCEARTSSA SAAAAHLVDG NRDTFWRPDA DDAAPAITLT LPQPTTINAI DATA SEQUENCE VIEEAIEHGQ RIEHLRVTGA LPDGTERVLG QAGTVGYRRI LRFDDVEVSS DATA SEQUENCE VTLHVDGSRL APXISRAAAV RI 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.596 177.584 0.021 0.000 1.274 7 A CA 0.000 52.049 52.037 0.019 0.000 0.836 7 A CB 0.000 19.014 19.000 0.023 0.000 0.831 8 G N -0.048 108.764 108.800 0.021 0.000 2.562 8 G HA2 0.497 4.457 3.960 -0.001 0.000 0.275 8 G HA3 0.497 4.457 3.960 -0.001 0.000 0.275 8 G C 0.946 175.865 174.900 0.033 0.000 1.196 8 G CA 0.113 45.226 45.100 0.021 0.000 0.908 8 G HN 1.426 nan 8.290 nan 0.000 0.524 9 I N 0.152 120.741 120.570 0.032 0.000 2.194 9 I HA -0.241 3.929 4.170 -0.001 0.000 0.246 9 I C 2.360 178.522 176.117 0.075 0.000 1.093 9 I CA 1.746 63.076 61.300 0.050 0.000 1.355 9 I CB -0.101 37.919 38.000 0.033 0.000 1.046 9 I HN 0.553 nan 8.210 nan 0.000 0.413 10 N N 0.295 119.022 118.700 0.044 0.000 2.084 10 N HA -0.207 4.532 4.740 -0.001 0.000 0.190 10 N C 1.790 177.357 175.510 0.095 0.000 1.030 10 N CA 1.729 54.809 53.050 0.048 0.000 0.849 10 N CB -0.461 38.028 38.487 0.003 0.000 1.012 10 N HN 0.391 nan 8.380 nan 0.000 0.423 11 L N 1.161 122.422 121.223 0.063 0.000 2.056 11 L HA -0.023 4.317 4.340 -0.001 0.000 0.207 11 L C 1.581 178.499 176.870 0.080 0.000 1.078 11 L CA 1.556 56.432 54.840 0.061 0.000 0.749 11 L CB -1.007 41.076 42.059 0.039 0.000 0.901 11 L HN 0.173 nan 8.230 nan 0.000 0.433 12 N N -1.392 117.356 118.700 0.081 0.000 2.205 12 N HA -0.265 4.474 4.740 -0.001 0.000 0.186 12 N C 1.796 177.361 175.510 0.092 0.000 1.015 12 N CA 1.612 54.705 53.050 0.072 0.000 0.862 12 N CB -0.482 38.044 38.487 0.065 0.000 0.986 12 N HN 0.518 nan 8.380 nan 0.000 0.429 13 Y N 1.479 121.791 120.300 0.020 0.000 2.109 13 Y HA -0.062 4.487 4.550 -0.001 0.000 0.285 13 Y C 2.263 178.186 175.900 0.038 0.000 1.131 13 Y CA 1.336 59.452 58.100 0.027 0.000 1.121 13 Y CB -0.376 38.096 38.460 0.021 0.000 0.987 13 Y HN -0.066 nan 8.280 nan 0.000 0.495 14 L N -0.259 121.115 121.223 0.252 0.000 2.042 14 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 14 L C 2.572 179.494 176.870 0.087 0.000 1.076 14 L CA 1.260 56.194 54.840 0.156 0.000 0.749 14 L CB -0.880 41.226 42.059 0.078 0.000 0.893 14 L HN 0.336 nan 8.230 nan 0.000 0.432 15 A N -0.869 121.995 122.820 0.073 0.000 2.209 15 A HA -0.070 4.249 4.320 -0.001 0.000 0.212 15 A C 1.571 179.189 177.584 0.056 0.000 1.158 15 A CA 0.982 53.068 52.037 0.082 0.000 0.742 15 A CB -0.300 18.739 19.000 0.065 0.000 0.790 15 A HN 0.468 nan 8.150 nan 0.000 0.472 16 N N -0.485 118.213 118.700 -0.004 0.000 2.170 16 N HA 0.133 4.873 4.740 -0.001 0.000 0.222 16 N C -0.468 174.988 175.510 -0.091 0.000 1.218 16 N CA 0.063 53.085 53.050 -0.047 0.000 0.889 16 N CB 1.110 39.550 38.487 -0.078 0.000 1.083 16 N HN 0.148 nan 8.380 nan 0.000 0.520 17 V N 2.133 122.014 119.914 -0.054 0.000 2.585 17 V HA 0.137 4.256 4.120 -0.001 0.000 0.296 17 V C 0.501 176.676 176.094 0.136 0.000 1.035 17 V CA 0.328 62.636 62.300 0.013 0.000 1.084 17 V CB 0.357 32.258 31.823 0.130 0.000 0.953 17 V HN 0.110 nan 8.190 nan 0.000 0.483 18 R N 5.293 125.770 120.500 -0.039 0.000 2.808 18 R HA 0.534 4.873 4.340 -0.001 0.000 0.272 18 R C -2.805 173.067 176.300 -0.714 0.000 0.995 18 R CA -1.780 54.064 56.100 -0.428 0.000 0.917 18 R CB 2.282 32.396 30.300 -0.311 0.000 1.217 18 R HN 0.435 nan 8.270 nan 0.000 0.471 19 P HA 0.043 nan 4.420 nan 0.000 0.278 19 P C -0.510 176.551 177.300 -0.399 0.000 1.238 19 P CA -0.339 62.141 63.100 -1.034 0.000 0.794 19 P CB 1.220 32.319 31.700 -1.001 0.000 0.955 20 S N 0.478 116.064 115.700 -0.190 0.000 2.617 20 S HA 0.041 4.511 4.470 -0.001 0.000 0.259 20 S C 1.687 176.245 174.600 -0.069 0.000 1.301 20 S CA 0.086 58.229 58.200 -0.095 0.000 0.984 20 S CB 0.137 63.317 63.200 -0.033 0.000 0.954 20 S HN 0.527 nan 8.310 nan 0.000 0.572 21 S N 1.111 116.787 115.700 -0.039 0.000 2.359 21 S HA -0.228 4.241 4.470 -0.001 0.000 0.224 21 S C 2.183 176.801 174.600 0.030 0.000 1.035 21 S CA 1.713 59.906 58.200 -0.012 0.000 1.018 21 S CB -0.798 62.400 63.200 -0.004 0.000 0.876 21 S HN 0.837 nan 8.310 nan 0.000 0.448 22 R N 0.456 120.981 120.500 0.042 0.000 2.096 22 R HA -0.043 4.296 4.340 -0.001 0.000 0.235 22 R C 2.331 178.718 176.300 0.145 0.000 1.127 22 R CA 1.687 57.837 56.100 0.082 0.000 0.968 22 R CB -0.671 29.662 30.300 0.055 0.000 0.861 22 R HN 0.465 nan 8.270 nan 0.000 0.440 23 Q N 0.565 120.438 119.800 0.123 0.000 2.119 23 Q HA -0.098 4.241 4.340 -0.001 0.000 0.201 23 Q C 2.110 178.300 176.000 0.317 0.000 0.972 23 Q CA 1.246 57.187 55.803 0.231 0.000 0.847 23 Q CB -0.070 28.791 28.738 0.205 0.000 0.903 23 Q HN 0.272 nan 8.270 nan 0.000 0.433 24 L N 0.433 121.741 121.223 0.142 0.000 2.072 24 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 24 L C 2.145 179.089 176.870 0.124 0.000 1.079 24 L CA 1.891 56.794 54.840 0.106 0.000 0.752 24 L CB -0.702 41.357 42.059 0.000 0.000 0.906 24 L HN 0.102 nan 8.230 nan 0.000 0.436 25 A N -1.069 121.826 122.820 0.124 0.000 1.902 25 A HA -0.290 4.030 4.320 -0.001 0.000 0.217 25 A C 2.161 179.819 177.584 0.123 0.000 1.181 25 A CA 1.727 53.826 52.037 0.104 0.000 0.623 25 A CB -1.546 17.514 19.000 0.100 0.000 0.818 25 A HN 0.753 nan 8.150 nan 0.000 0.443 26 W N 0.634 121.947 121.300 0.022 0.000 2.338 26 W HA -0.265 4.394 4.660 -0.001 0.000 0.304 26 W C 2.202 178.717 176.519 -0.007 0.000 1.212 26 W CA 2.240 59.599 57.345 0.024 0.000 1.264 26 W CB -0.324 29.183 29.460 0.077 0.000 1.142 26 W HN 0.410 nan 8.180 nan 0.000 0.512 27 Q N 0.848 120.615 119.800 -0.054 0.000 2.124 27 Q HA -0.104 4.235 4.340 -0.001 0.000 0.202 27 Q C 1.168 176.749 176.000 -0.699 0.000 0.977 27 Q CA 1.432 56.906 55.803 -0.549 0.000 0.850 27 Q CB -0.190 28.464 28.738 -0.139 0.000 0.901 27 Q HN 0.246 nan 8.270 nan 0.000 0.429 33 A N 1.261 124.234 122.820 0.256 0.000 2.294 33 A HA 0.808 5.128 4.320 -0.001 0.000 0.330 33 A C -1.857 175.877 177.584 0.251 0.000 1.133 33 A CA -0.516 51.638 52.037 0.195 0.000 0.836 33 A CB 0.951 20.048 19.000 0.162 0.000 1.190 33 A HN 0.607 nan 8.150 nan 0.000 0.492 34 F N 0.503 120.505 119.950 0.086 0.000 2.480 34 F HA 0.648 5.175 4.527 -0.001 0.000 0.329 34 F C -0.940 174.881 175.800 0.036 0.000 1.091 34 F CA -1.554 56.468 58.000 0.038 0.000 0.972 34 F CB 1.979 41.001 39.000 0.036 0.000 1.150 34 F HN 0.259 nan 8.300 nan 0.000 0.467 35 L N 5.471 126.917 121.223 0.371 0.000 2.353 35 L HA 0.299 4.639 4.340 -0.001 0.000 0.270 35 L C -1.117 175.725 176.870 -0.046 0.000 1.003 35 L CA -0.614 54.286 54.840 0.100 0.000 0.862 35 L CB 0.502 42.630 42.059 0.115 0.000 1.221 35 L HN 0.454 nan 8.230 nan 0.000 0.430 36 H N 4.255 123.155 119.070 -0.284 0.000 2.705 36 H HA 0.543 5.099 4.556 -0.001 0.000 0.291 36 H C -1.125 174.108 175.328 -0.157 0.000 1.085 36 H CA 0.250 55.981 56.048 -0.528 0.000 1.357 36 H CB 0.649 29.705 29.762 -1.178 0.000 1.419 36 H HN 0.383 nan 8.280 nan 0.000 0.462 37 F N 2.212 122.171 119.950 0.014 0.000 2.615 37 F HA 0.606 5.133 4.527 -0.001 0.000 0.312 37 F C -0.314 175.685 175.800 0.331 0.000 1.119 37 F CA 0.054 58.169 58.000 0.191 0.000 0.979 37 F CB 1.634 40.661 39.000 0.045 0.000 1.266 37 F HN 0.700 nan 8.300 nan 0.000 0.444 44 D N 1.115 121.521 120.400 0.011 0.000 2.699 44 D HA -0.136 4.503 4.640 -0.001 0.000 0.239 44 D C -0.106 176.312 176.300 0.196 0.000 1.136 44 D CA 0.857 54.947 54.000 0.149 0.000 0.668 44 D CB -0.834 40.051 40.800 0.141 0.000 1.060 44 D HN 0.804 nan 8.370 nan 0.000 0.429 45 R N -0.358 120.220 120.500 0.130 0.000 2.854 45 R HA 0.417 4.757 4.340 -0.001 0.000 0.271 45 R C 1.117 177.486 176.300 0.115 0.000 0.994 45 R CA -0.885 55.281 56.100 0.109 0.000 0.945 45 R CB 1.241 31.552 30.300 0.018 0.000 1.194 45 R HN -0.139 nan 8.270 nan 0.000 0.476 46 E N 0.564 120.811 120.200 0.079 0.000 2.216 46 E HA 0.057 4.406 4.350 -0.001 0.000 0.192 46 E C -0.294 176.118 176.600 -0.314 0.000 0.973 46 E CA 0.884 57.208 56.400 -0.126 0.000 0.851 46 E CB 0.530 29.979 29.700 -0.419 0.000 0.804 46 E HN 0.433 nan 8.360 nan 0.000 0.477 47 W N 1.588 122.947 121.300 0.098 0.000 2.475 47 W HA 0.488 5.147 4.660 -0.000 0.000 0.320 47 W C 0.368 176.883 176.519 -0.007 0.000 1.022 47 W CA -0.989 56.413 57.345 0.096 0.000 1.240 47 W CB 1.201 30.740 29.460 0.132 0.000 1.328 47 W HN -0.141 nan 8.180 nan 0.000 0.439 48 G N 2.053 110.920 108.800 0.111 0.000 2.507 48 G HA2 0.358 4.318 3.960 -0.001 0.000 0.271 48 G HA3 0.358 4.318 3.960 -0.001 0.000 0.271 48 G C 0.232 175.130 174.900 -0.003 0.000 1.189 48 G CA -0.455 44.649 45.100 0.006 0.000 0.859 48 G HN 0.361 nan 8.290 nan 0.000 0.542 49 L N 0.758 121.971 121.223 -0.018 0.000 2.477 49 L HA 0.301 4.641 4.340 -0.001 0.000 0.220 49 L C 1.667 178.501 176.870 -0.061 0.000 1.106 49 L CA 1.047 55.874 54.840 -0.023 0.000 0.851 49 L CB -1.623 40.443 42.059 0.011 0.000 0.994 49 L HN 1.087 nan 8.230 nan 0.000 0.462 50 G N -0.828 107.917 108.800 -0.093 0.000 2.712 50 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.686 50 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.686 50 G C 0.107 174.936 174.900 -0.119 0.000 1.321 50 G CA -0.317 44.661 45.100 -0.203 0.000 0.813 50 G HN 0.413 nan 8.290 nan 0.000 0.599 51 H N -1.465 117.500 119.070 -0.176 0.000 3.179 51 H HA -0.154 4.401 4.556 -0.001 0.000 0.250 51 H C 0.976 176.289 175.328 -0.026 0.000 1.142 51 H CA 1.705 57.648 56.048 -0.175 0.000 1.165 51 H CB -1.318 28.368 29.762 -0.126 0.000 1.253 51 H HN 0.845 nan 8.280 nan 0.000 0.325 52 E N 1.712 121.974 120.200 0.103 0.000 2.442 52 E HA 0.058 4.407 4.350 -0.001 0.000 0.262 52 E C 0.572 177.238 176.600 0.109 0.000 1.004 52 E CA 0.018 56.459 56.400 0.070 0.000 0.928 52 E CB 0.454 30.140 29.700 -0.024 0.000 0.937 52 E HN 0.140 nan 8.360 nan 0.000 0.446 53 D N 3.404 123.826 120.400 0.036 0.000 2.434 53 D HA -0.004 4.635 4.640 -0.001 0.000 0.252 53 D C -1.726 174.550 176.300 -0.041 0.000 1.185 53 D CA -1.801 52.219 54.000 0.034 0.000 0.886 53 D CB 0.988 41.798 40.800 0.017 0.000 1.148 53 D HN 0.143 nan 8.370 nan 0.000 0.483 54 P HA -0.063 nan 4.420 nan 0.000 0.225 54 P C 0.820 178.122 177.300 0.004 0.000 1.148 54 P CA 0.805 63.861 63.100 -0.073 0.000 0.779 54 P CB 0.178 31.951 31.700 0.122 0.000 0.780 55 A N -0.461 122.374 122.820 0.025 0.000 2.070 55 A HA -0.132 4.188 4.320 -0.001 0.000 0.220 55 A C 2.005 179.597 177.584 0.012 0.000 1.159 55 A CA 1.112 53.173 52.037 0.041 0.000 0.656 55 A CB -1.471 17.549 19.000 0.034 0.000 0.800 55 A HN 0.180 nan 8.150 nan 0.000 0.453 56 L N -2.167 119.034 121.223 -0.037 0.000 2.376 56 L HA 0.035 4.374 4.340 -0.001 0.000 0.219 56 L C 0.755 177.580 176.870 -0.074 0.000 1.133 56 L CA 0.099 54.900 54.840 -0.066 0.000 0.816 56 L CB -0.229 41.770 42.059 -0.099 0.000 0.933 56 L HN 0.440 nan 8.230 nan 0.000 0.449 57 F N 1.475 121.289 119.950 -0.226 0.000 2.406 57 F HA 0.231 4.758 4.527 -0.001 0.000 0.358 57 F C 0.475 176.269 175.800 -0.010 0.000 1.161 57 F CA -0.411 57.467 58.000 -0.204 0.000 1.185 57 F CB -0.038 38.772 39.000 -0.317 0.000 1.421 57 F HN -0.103 nan 8.300 nan 0.000 0.576 58 N N 5.748 124.261 118.700 -0.312 0.000 2.636 58 N HA 0.248 4.988 4.740 -0.001 0.000 0.287 58 N C -2.938 172.481 175.510 -0.151 0.000 1.817 58 N CA -1.429 51.554 53.050 -0.112 0.000 0.842 58 N CB 0.520 39.012 38.487 0.009 0.000 1.353 58 N HN 0.141 nan 8.380 nan 0.000 0.500 59 P HA 0.146 nan 4.420 nan 0.000 0.271 59 P C 0.592 177.926 177.300 0.056 0.000 1.220 59 P CA -0.100 62.897 63.100 -0.171 0.000 0.768 59 P CB 1.011 32.571 31.700 -0.233 0.000 0.848 60 R N 2.133 122.666 120.500 0.056 0.000 2.161 60 R HA 0.011 4.350 4.340 -0.001 0.000 0.213 60 R C 0.365 176.728 176.300 0.106 0.000 1.055 60 R CA 0.642 56.794 56.100 0.087 0.000 0.996 60 R CB -0.221 30.106 30.300 0.045 0.000 0.901 60 R HN 0.262 nan 8.270 nan 0.000 0.456 61 N N 0.880 119.640 118.700 0.100 0.000 2.646 61 N HA 0.111 4.851 4.740 -0.001 0.000 0.303 61 N C -1.457 174.111 175.510 0.096 0.000 1.921 61 N CA -0.372 52.730 53.050 0.086 0.000 0.872 61 N CB 1.135 39.653 38.487 0.052 0.000 1.327 61 N HN -0.051 nan 8.380 nan 0.000 0.492 62 V N 1.121 121.128 119.914 0.155 0.000 2.493 62 V HA 0.085 4.204 4.120 -0.001 0.000 0.292 62 V C 0.166 176.227 176.094 -0.055 0.000 1.016 62 V CA 0.307 62.658 62.300 0.085 0.000 1.097 62 V CB 0.724 32.673 31.823 0.211 0.000 0.947 62 V HN 0.344 nan 8.190 nan 0.000 0.479 63 D N 4.036 124.296 120.400 -0.234 0.000 2.363 63 D HA 0.202 4.842 4.640 -0.001 0.000 0.258 63 D C 0.691 176.541 176.300 -0.751 0.000 1.259 63 D CA -0.299 53.513 54.000 -0.313 0.000 0.921 63 D CB 1.617 42.346 40.800 -0.120 0.000 1.201 63 D HN 0.312 nan 8.370 nan 0.000 0.524 64 V N 0.755 120.116 119.914 -0.922 0.000 2.594 64 V HA -0.108 4.011 4.120 -0.001 0.000 0.253 64 V C 1.343 177.118 176.094 -0.532 0.000 1.069 64 V CA 1.367 62.959 62.300 -1.181 0.000 1.082 64 V CB -0.168 31.177 31.823 -0.797 0.000 0.680 64 V HN 0.228 nan 8.190 nan 0.000 0.469 65 D N 0.005 120.229 120.400 -0.294 0.000 2.178 65 D HA -0.166 4.474 4.640 -0.001 0.000 0.202 65 D C 2.193 178.438 176.300 -0.092 0.000 0.974 65 D CA 1.617 55.549 54.000 -0.114 0.000 0.841 65 D CB -0.256 40.567 40.800 0.038 0.000 0.953 65 D HN 0.606 nan 8.370 nan 0.000 0.478 66 Q N -0.094 119.656 119.800 -0.083 0.000 2.084 66 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 66 Q C 0.426 176.518 176.000 0.153 0.000 0.978 66 Q CA 0.768 56.596 55.803 0.042 0.000 0.844 66 Q CB 0.019 28.805 28.738 0.079 0.000 0.898 66 Q HN 0.169 nan 8.270 nan 0.000 0.426 70 A N 1.274 124.112 122.820 0.031 0.000 1.968 70 A HA 0.044 4.364 4.320 -0.001 0.000 0.217 70 A C 2.189 179.788 177.584 0.024 0.000 1.169 70 A CA 0.955 53.010 52.037 0.030 0.000 0.638 70 A CB -0.584 18.437 19.000 0.036 0.000 0.812 70 A HN 0.232 nan 8.150 nan 0.000 0.446 71 L N -0.609 120.633 121.223 0.031 0.000 2.093 71 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 71 L C 2.465 179.358 176.870 0.039 0.000 1.085 71 L CA 0.868 55.732 54.840 0.040 0.000 0.755 71 L CB -0.586 41.510 42.059 0.062 0.000 0.904 71 L HN 0.232 nan 8.230 nan 0.000 0.435 72 V N 0.281 120.221 119.914 0.043 0.000 2.358 72 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 72 V C 2.757 178.870 176.094 0.032 0.000 1.047 72 V CA 1.759 64.094 62.300 0.057 0.000 1.035 72 V CB -0.755 31.131 31.823 0.104 0.000 0.658 72 V HN 0.467 nan 8.190 nan 0.000 0.452 73 A N 0.426 123.260 122.820 0.023 0.000 2.019 73 A HA -0.058 4.262 4.320 -0.001 0.000 0.219 73 A C 2.274 179.844 177.584 -0.023 0.000 1.164 73 A CA 1.690 53.727 52.037 -0.000 0.000 0.644 73 A CB -0.890 18.110 19.000 0.001 0.000 0.805 73 A HN 0.555 nan 8.150 nan 0.000 0.449 74 G N -1.426 107.366 108.800 -0.014 0.000 2.744 74 G HA2 0.418 4.377 3.960 -0.001 0.000 0.211 74 G HA3 0.418 4.377 3.960 -0.001 0.000 0.211 74 G C 0.997 175.874 174.900 -0.038 0.000 1.143 74 G CA 0.630 45.712 45.100 -0.030 0.000 0.788 74 G HN 1.635 nan 8.290 nan 0.000 0.534 78 G N -1.359 107.416 108.800 -0.043 0.000 2.606 78 G HA2 0.621 4.580 3.960 -0.001 0.000 0.300 78 G HA3 0.621 4.580 3.960 -0.001 0.000 0.300 78 G C -1.792 173.225 174.900 0.196 0.000 1.360 78 G CA 0.136 45.203 45.100 -0.056 0.000 0.783 78 G HN 1.346 nan 8.290 nan 0.000 0.484 79 V N 0.113 120.228 119.914 0.334 0.000 2.733 79 V HA 0.659 4.778 4.120 -0.001 0.000 0.306 79 V C -1.118 175.129 176.094 0.255 0.000 1.084 79 V CA -0.846 61.649 62.300 0.324 0.000 0.905 79 V CB 1.620 33.620 31.823 0.296 0.000 1.010 79 V HN 0.656 nan 8.190 nan 0.000 0.424 80 I N 6.836 127.466 120.570 0.101 0.000 2.339 80 I HA 0.404 4.573 4.170 -0.001 0.000 0.290 80 I C -0.647 175.474 176.117 0.006 0.000 0.994 80 I CA -0.641 60.546 61.300 -0.189 0.000 1.191 80 I CB 1.662 39.331 38.000 -0.552 0.000 1.343 80 I HN 0.450 nan 8.210 nan 0.000 0.458 81 L N 6.776 127.983 121.223 -0.028 0.000 2.322 81 L HA 0.413 4.752 4.340 -0.001 0.000 0.279 81 L C 0.583 177.562 176.870 0.183 0.000 1.036 81 L CA 0.054 54.994 54.840 0.167 0.000 0.807 81 L CB 1.664 43.897 42.059 0.290 0.000 1.226 81 L HN 0.663 nan 8.230 nan 0.000 0.433 82 T N 0.933 115.594 114.554 0.177 0.000 2.848 82 T HA 0.123 4.473 4.350 -0.001 0.000 0.283 82 T C 1.308 176.145 174.700 0.228 0.000 0.919 82 T CA -0.501 61.733 62.100 0.224 0.000 1.071 82 T CB -0.531 68.345 68.868 0.013 0.000 0.912 82 T HN 0.746 nan 8.240 nan 0.000 0.570 83 C N 2.588 121.998 119.300 0.183 0.000 2.450 83 C HA 0.245 4.705 4.460 -0.001 0.000 0.279 83 C C 1.218 176.388 174.990 0.301 0.000 1.335 83 C CA 0.244 59.382 59.018 0.200 0.000 1.749 83 C CB -0.776 26.961 27.740 -0.006 0.000 1.963 83 C HN 0.887 nan 8.230 nan 0.000 0.501 84 K N -0.089 120.439 120.400 0.213 0.000 2.565 84 K HA 0.258 4.578 4.320 -0.001 0.000 0.251 84 K C -0.971 175.726 176.600 0.162 0.000 0.956 84 K CA -0.438 55.960 56.287 0.186 0.000 0.809 84 K CB 0.894 33.516 32.500 0.203 0.000 1.267 84 K HN 0.382 nan 8.250 nan 0.000 0.438 85 H N 1.702 120.862 119.070 0.150 0.000 2.645 85 H HA 0.213 4.768 4.556 -0.001 0.000 0.308 85 H C 0.729 176.144 175.328 0.146 0.000 1.495 85 H CA -0.067 56.091 56.048 0.183 0.000 1.518 85 H CB 1.021 30.936 29.762 0.255 0.000 1.752 85 H HN 0.690 nan 8.280 nan 0.000 0.797 86 H N 0.189 119.245 119.070 -0.023 0.000 2.456 86 H HA -0.133 4.422 4.556 -0.001 0.000 0.296 86 H C 1.647 176.825 175.328 -0.249 0.000 1.079 86 H CA 1.435 57.393 56.048 -0.150 0.000 1.322 86 H CB -0.199 29.455 29.762 -0.181 0.000 1.388 86 H HN 0.620 nan 8.280 nan 0.000 0.538 87 D N -0.693 119.737 120.400 0.049 0.000 2.269 87 D HA -0.046 4.594 4.640 -0.001 0.000 0.208 87 D C 1.530 177.831 176.300 0.002 0.000 0.963 87 D CA 1.154 55.130 54.000 -0.041 0.000 0.864 87 D CB -0.082 40.722 40.800 0.007 0.000 0.936 87 D HN 0.430 nan 8.370 nan 0.000 0.505 88 G N 0.503 109.359 108.800 0.092 0.000 2.176 88 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.232 88 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.232 88 G C -0.080 174.985 174.900 0.276 0.000 0.986 88 G CA -0.011 45.180 45.100 0.151 0.000 0.643 88 G HN 0.388 nan 8.290 nan 0.000 0.522 89 F N 2.929 122.901 119.950 0.037 0.000 2.472 89 F HA 0.547 5.074 4.527 -0.001 0.000 0.364 89 F C 0.924 176.595 175.800 -0.214 0.000 1.090 89 F CA -0.907 56.939 58.000 -0.258 0.000 1.188 89 F CB 0.261 39.020 39.000 -0.403 0.000 1.105 89 F HN 0.208 nan 8.300 nan 0.000 0.536 90 C N 7.770 126.555 119.300 -0.859 0.000 2.369 90 C HA 0.256 4.716 4.460 -0.001 0.000 0.358 90 C C 1.642 176.106 174.990 -0.876 0.000 1.274 90 C CA -0.840 57.709 59.018 -0.780 0.000 1.935 90 C CB 0.255 27.317 27.740 -1.130 0.000 2.431 90 C HN 0.864 nan 8.230 nan 0.000 0.545 91 L N 1.884 122.934 121.223 -0.288 0.000 2.612 91 L HA 0.136 4.475 4.340 -0.001 0.000 0.230 91 L C 0.228 177.155 176.870 0.095 0.000 1.140 91 L CA 0.297 55.044 54.840 -0.155 0.000 0.896 91 L CB -0.422 41.686 42.059 0.080 0.000 1.065 91 L HN 0.860 nan 8.230 nan 0.000 0.447 92 W N -0.869 120.333 121.300 -0.163 0.000 2.962 92 W HA 0.475 5.134 4.660 -0.001 0.000 0.341 92 W C -2.689 173.801 176.519 -0.049 0.000 1.155 92 W CA -2.291 55.029 57.345 -0.043 0.000 1.165 92 W CB 0.581 30.034 29.460 -0.012 0.000 1.435 92 W HN -0.322 nan 8.180 nan 0.000 0.546 93 P HA 0.019 nan 4.420 nan 0.000 0.237 93 P C 0.174 177.324 177.300 -0.249 0.000 1.788 93 P CA 0.319 63.316 63.100 -0.171 0.000 1.061 93 P CB 0.442 32.148 31.700 0.011 0.000 1.967 94 S N 1.989 117.268 115.700 -0.702 0.000 2.558 94 S HA 0.021 4.491 4.470 -0.001 0.000 0.291 94 S C 1.360 175.872 174.600 -0.146 0.000 1.306 94 S CA -0.117 57.821 58.200 -0.436 0.000 1.056 94 S CB 0.297 63.080 63.200 -0.695 0.000 0.836 94 S HN 0.252 nan 8.310 nan 0.000 0.504 95 R N 3.054 123.542 120.500 -0.019 0.000 2.313 95 R HA 0.245 4.585 4.340 -0.001 0.000 0.199 95 R C 1.003 177.307 176.300 0.008 0.000 0.958 95 R CA 0.461 56.561 56.100 -0.000 0.000 1.047 95 R CB -0.044 30.270 30.300 0.023 0.000 0.955 95 R HN 0.590 nan 8.270 nan 0.000 0.481 96 L N -1.064 120.157 121.223 -0.003 0.000 2.693 96 L HA 0.211 4.550 4.340 -0.001 0.000 0.235 96 L C 0.516 177.510 176.870 0.207 0.000 1.127 96 L CA 0.028 54.913 54.840 0.075 0.000 0.914 96 L CB 0.921 42.962 42.059 -0.029 0.000 1.193 96 L HN -0.045 nan 8.230 nan 0.000 0.502 97 T N -1.455 113.164 114.554 0.109 0.000 2.885 97 T HA 0.294 4.644 4.350 -0.001 0.000 0.322 97 T C 0.105 174.824 174.700 0.031 0.000 1.387 97 T CA -0.625 61.550 62.100 0.126 0.000 1.041 97 T CB 1.410 70.413 68.868 0.225 0.000 1.287 97 T HN -0.086 nan 8.240 nan 0.000 0.491 98 R N 1.387 121.924 120.500 0.061 0.000 2.297 98 R HA 0.074 4.414 4.340 -0.001 0.000 0.197 98 R C 0.441 176.794 176.300 0.089 0.000 0.943 98 R CA 0.175 56.307 56.100 0.053 0.000 1.038 98 R CB -0.921 29.423 30.300 0.073 0.000 0.957 98 R HN 0.610 nan 8.270 nan 0.000 0.484 99 H N 1.980 121.037 119.070 -0.022 0.000 2.970 99 H HA 0.130 4.686 4.556 -0.001 0.000 0.226 99 H C -0.143 175.089 175.328 -0.160 0.000 1.909 99 H CA -0.214 55.844 56.048 0.017 0.000 1.388 99 H CB -0.438 29.340 29.762 0.026 0.000 1.773 99 H HN 0.160 nan 8.280 nan 0.000 0.559 100 T N -2.510 111.856 114.554 -0.314 0.000 2.778 100 T HA 0.191 4.540 4.350 -0.001 0.000 0.293 100 T C 1.357 175.760 174.700 -0.494 0.000 1.144 100 T CA -0.271 61.394 62.100 -0.727 0.000 1.010 100 T CB 0.451 68.986 68.868 -0.554 0.000 1.325 100 T HN 0.029 nan 8.240 nan 0.000 0.515 101 V N -0.633 118.952 119.914 -0.549 0.000 2.828 101 V HA 0.101 4.220 4.120 -0.001 0.000 0.260 101 V C 2.776 178.952 176.094 0.137 0.000 1.101 101 V CA 1.806 64.100 62.300 -0.010 0.000 1.123 101 V CB -2.030 29.875 31.823 0.137 0.000 0.704 101 V HN 1.047 nan 8.190 nan 0.000 0.493 102 A N 0.369 123.194 122.820 0.010 0.000 2.067 102 A HA -0.056 4.264 4.320 -0.001 0.000 0.219 102 A C 2.285 179.916 177.584 0.078 0.000 1.158 102 A CA 1.874 53.938 52.037 0.044 0.000 0.661 102 A CB -0.555 18.440 19.000 -0.008 0.000 0.801 102 A HN 0.607 nan 8.150 nan 0.000 0.452 103 S N -0.213 115.545 115.700 0.098 0.000 2.556 103 S HA 0.135 4.604 4.470 -0.001 0.000 0.216 103 S C 0.872 175.575 174.600 0.172 0.000 0.970 103 S CA 0.285 58.559 58.200 0.123 0.000 0.912 103 S CB -0.117 63.156 63.200 0.121 0.000 0.790 103 S HN 0.738 nan 8.310 nan 0.000 0.504 104 S N 1.941 117.789 115.700 0.247 0.000 2.687 104 S HA 0.417 4.887 4.470 -0.001 0.000 0.283 104 S C -2.106 172.654 174.600 0.267 0.000 1.170 104 S CA -1.258 57.125 58.200 0.305 0.000 1.008 104 S CB 1.241 64.755 63.200 0.525 0.000 1.026 104 S HN -0.004 nan 8.310 nan 0.000 0.541 105 P HA 0.064 nan 4.420 nan 0.000 0.241 105 P C 0.015 177.453 177.300 0.230 0.000 1.191 105 P CA 0.004 63.212 63.100 0.181 0.000 0.771 105 P CB -0.141 31.637 31.700 0.131 0.000 0.929 106 W N 3.324 124.714 121.300 0.151 0.000 2.322 106 W HA 0.073 4.733 4.660 -0.001 0.000 0.328 106 W C 0.715 177.315 176.519 0.135 0.000 1.395 106 W CA 0.451 57.885 57.345 0.147 0.000 1.267 106 W CB 0.097 29.722 29.460 0.274 0.000 1.259 106 W HN -0.016 nan 8.180 nan 0.000 0.560 107 R N 4.499 124.692 120.500 -0.511 0.000 3.627 107 R HA -0.304 4.035 4.340 -0.001 0.000 0.281 107 R C 0.389 176.561 176.300 -0.214 0.000 1.140 107 R CA 1.429 57.210 56.100 -0.531 0.000 0.761 107 R CB -2.352 27.390 30.300 -0.930 0.000 1.181 107 R HN 0.928 nan 8.270 nan 0.000 0.472 108 E N -2.145 118.005 120.200 -0.083 0.000 2.722 108 E HA -0.311 4.038 4.350 -0.001 0.000 0.265 108 E C 0.837 177.442 176.600 0.007 0.000 1.081 108 E CA 0.964 57.352 56.400 -0.021 0.000 0.781 108 E CB -1.506 28.171 29.700 -0.039 0.000 1.372 108 E HN 0.826 nan 8.360 nan 0.000 0.423 109 G N 0.084 108.912 108.800 0.046 0.000 2.184 109 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.264 109 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.264 109 G C 0.594 175.517 174.900 0.039 0.000 0.975 109 G CA 0.805 45.954 45.100 0.080 0.000 0.642 109 G HN 0.348 nan 8.290 nan 0.000 0.536 110 K N 0.424 120.809 120.400 -0.025 0.000 2.399 110 K HA 0.360 4.679 4.320 -0.001 0.000 0.204 110 K C 1.447 178.007 176.600 -0.066 0.000 1.023 110 K CA 0.229 56.493 56.287 -0.039 0.000 1.127 110 K CB 0.926 33.391 32.500 -0.059 0.000 0.856 110 K HN 0.372 nan 8.250 nan 0.000 0.514 111 G N 0.838 109.581 108.800 -0.094 0.000 2.504 111 G HA2 0.144 4.103 3.960 -0.001 0.000 0.288 111 G HA3 0.144 4.103 3.960 -0.001 0.000 0.288 111 G C -1.033 173.976 174.900 0.181 0.000 1.182 111 G CA -0.112 44.904 45.100 -0.141 0.000 0.894 111 G HN 0.055 nan 8.290 nan 0.000 0.521 112 D N 0.862 121.425 120.400 0.271 0.000 2.323 112 D HA 0.077 4.716 4.640 -0.001 0.000 0.242 112 D C 0.708 177.227 176.300 0.364 0.000 1.347 112 D CA -0.651 53.547 54.000 0.331 0.000 0.988 112 D CB 1.579 42.542 40.800 0.272 0.000 1.314 112 D HN 0.117 nan 8.370 nan 0.000 0.564 113 L N 3.976 125.460 121.223 0.435 0.000 2.217 113 L HA 0.009 4.348 4.340 -0.001 0.000 0.211 113 L C 1.801 178.762 176.870 0.151 0.000 1.107 113 L CA 1.398 56.440 54.840 0.336 0.000 0.783 113 L CB -0.077 42.146 42.059 0.272 0.000 0.919 113 L HN 0.365 nan 8.230 nan 0.000 0.442 114 V N -0.184 119.772 119.914 0.069 0.000 2.295 114 V HA -0.303 3.816 4.120 -0.001 0.000 0.246 114 V C 2.753 178.636 176.094 -0.352 0.000 1.049 114 V CA 2.008 64.186 62.300 -0.204 0.000 1.024 114 V CB -0.718 30.781 31.823 -0.541 0.000 0.648 114 V HN 0.501 nan 8.190 nan 0.000 0.447 115 R N 0.531 120.959 120.500 -0.121 0.000 2.080 115 R HA -0.214 4.125 4.340 -0.001 0.000 0.236 115 R C 2.250 178.542 176.300 -0.014 0.000 1.137 115 R CA 2.257 58.410 56.100 0.088 0.000 0.943 115 R CB -0.544 29.910 30.300 0.257 0.000 0.846 115 R HN 0.598 nan 8.270 nan 0.000 0.431 116 E N -0.787 119.429 120.200 0.026 0.000 2.085 116 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 116 E C 1.878 178.432 176.600 -0.077 0.000 0.994 116 E CA 1.684 58.082 56.400 -0.003 0.000 0.801 116 E CB 0.051 29.787 29.700 0.060 0.000 0.743 116 E HN 0.209 nan 8.360 nan 0.000 0.453 117 V N 0.953 120.815 119.914 -0.087 0.000 2.307 117 V HA -0.269 3.851 4.120 -0.001 0.000 0.245 117 V C 2.465 178.422 176.094 -0.228 0.000 1.045 117 V CA 1.960 64.212 62.300 -0.079 0.000 1.024 117 V CB -0.581 31.312 31.823 0.117 0.000 0.651 117 V HN 0.386 nan 8.190 nan 0.000 0.449 118 S N -0.033 115.308 115.700 -0.598 0.000 2.368 118 S HA -0.258 4.211 4.470 -0.001 0.000 0.225 118 S C 1.803 176.227 174.600 -0.292 0.000 1.030 118 S CA 1.707 59.381 58.200 -0.876 0.000 0.999 118 S CB -0.538 61.953 63.200 -1.181 0.000 0.844 118 S HN 0.708 nan 8.310 nan 0.000 0.459 119 E N 1.081 121.182 120.200 -0.166 0.000 2.051 119 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 119 E C 2.321 178.918 176.600 -0.005 0.000 0.991 119 E CA 1.227 57.593 56.400 -0.056 0.000 0.799 119 E CB -0.312 29.370 29.700 -0.030 0.000 0.748 119 E HN 0.587 nan 8.360 nan 0.000 0.449 120 S N 0.211 115.913 115.700 0.002 0.000 2.368 120 S HA -0.151 4.319 4.470 -0.001 0.000 0.224 120 S C 2.076 176.795 174.600 0.197 0.000 1.029 120 S CA 1.073 59.337 58.200 0.107 0.000 0.988 120 S CB -0.166 63.047 63.200 0.021 0.000 0.838 120 S HN 0.337 nan 8.310 nan 0.000 0.462 121 A N 2.170 125.048 122.820 0.096 0.000 1.873 121 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 121 A C 2.243 179.922 177.584 0.160 0.000 1.193 121 A CA 1.727 53.852 52.037 0.147 0.000 0.629 121 A CB -0.751 18.364 19.000 0.192 0.000 0.826 121 A HN 0.637 nan 8.150 nan 0.000 0.447 122 R N -0.948 119.614 120.500 0.102 0.000 2.096 122 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 122 R C 2.398 178.738 176.300 0.068 0.000 1.127 122 R CA 1.395 57.545 56.100 0.082 0.000 0.968 122 R CB -0.328 30.002 30.300 0.050 0.000 0.861 122 R HN 0.491 nan 8.270 nan 0.000 0.440 123 R N -0.277 120.262 120.500 0.065 0.000 2.152 123 R HA -0.106 4.234 4.340 -0.001 0.000 0.232 123 R C 1.087 177.338 176.300 -0.082 0.000 1.117 123 R CA 1.185 57.275 56.100 -0.017 0.000 0.981 123 R CB -0.143 30.127 30.300 -0.051 0.000 0.870 123 R HN 0.403 nan 8.270 nan 0.000 0.451 124 H N -1.333 117.750 119.070 0.021 0.000 2.529 124 H HA 0.190 4.746 4.556 -0.001 0.000 0.277 124 H C 0.946 176.292 175.328 0.031 0.000 1.004 124 H CA 0.566 56.630 56.048 0.027 0.000 1.167 124 H CB 0.814 30.599 29.762 0.038 0.000 1.445 124 H HN 0.400 nan 8.280 nan 0.000 0.554 125 G N 0.654 109.520 108.800 0.111 0.000 2.160 125 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.251 125 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.251 125 G C -0.107 174.843 174.900 0.083 0.000 1.008 125 G CA 0.139 45.285 45.100 0.077 0.000 0.724 125 G HN 0.301 nan 8.290 nan 0.000 0.514 126 L N -0.301 120.991 121.223 0.115 0.000 2.325 126 L HA 0.526 4.865 4.340 -0.001 0.000 0.278 126 L C 0.873 177.813 176.870 0.116 0.000 1.023 126 L CA -1.042 53.858 54.840 0.100 0.000 0.811 126 L CB 1.385 43.524 42.059 0.133 0.000 1.249 126 L HN 0.017 nan 8.230 nan 0.000 0.431 127 K N 1.506 121.936 120.400 0.049 0.000 2.138 127 K HA 0.379 4.699 4.320 -0.001 0.000 0.251 127 K C -1.032 175.790 176.600 0.370 0.000 1.015 127 K CA -0.316 56.047 56.287 0.126 0.000 0.917 127 K CB 0.975 33.412 32.500 -0.105 0.000 1.021 127 K HN 0.254 nan 8.250 nan 0.000 0.485 128 F N 0.135 120.299 119.950 0.357 0.000 2.507 128 F HA 0.556 5.082 4.527 -0.001 0.000 0.325 128 F C -0.219 175.734 175.800 0.255 0.000 1.116 128 F CA -0.359 57.825 58.000 0.307 0.000 0.930 128 F CB 1.669 40.764 39.000 0.158 0.000 1.146 128 F HN 0.546 nan 8.300 nan 0.000 0.447 129 G N 3.347 111.710 108.800 -0.729 0.000 2.658 129 G HA2 0.656 4.615 3.960 -0.001 0.000 0.292 129 G HA3 0.656 4.615 3.960 -0.001 0.000 0.292 129 G C -1.851 172.460 174.900 -0.983 0.000 1.320 129 G CA -0.616 43.904 45.100 -0.965 0.000 0.933 129 G HN 1.130 nan 8.290 nan 0.000 0.476 130 V N -2.119 117.440 119.914 -0.593 0.000 2.876 130 V HA 0.813 4.933 4.120 -0.001 0.000 0.312 130 V C -1.541 174.520 176.094 -0.054 0.000 1.085 130 V CA -1.296 60.792 62.300 -0.352 0.000 0.945 130 V CB 1.659 33.299 31.823 -0.305 0.000 1.017 130 V HN 0.901 nan 8.190 nan 0.000 0.428 131 Y N 4.859 125.130 120.300 -0.049 0.000 2.331 131 Y HA 0.811 5.360 4.550 -0.001 0.000 0.334 131 Y C -1.209 174.758 175.900 0.111 0.000 0.960 131 Y CA -1.495 56.685 58.100 0.135 0.000 1.130 131 Y CB 1.920 40.548 38.460 0.280 0.000 1.164 131 Y HN 0.900 nan 8.280 nan 0.000 0.458 132 L N 6.250 127.237 121.223 -0.393 0.000 2.345 132 L HA 0.504 4.843 4.340 -0.001 0.000 0.274 132 L C -0.532 176.104 176.870 -0.391 0.000 0.999 132 L CA -0.227 54.396 54.840 -0.362 0.000 0.849 132 L CB 1.477 43.362 42.059 -0.290 0.000 1.220 132 L HN 0.653 nan 8.230 nan 0.000 0.422 133 S N 6.321 121.719 115.700 -0.503 0.000 2.498 133 S HA 0.256 4.726 4.470 -0.001 0.000 0.281 133 S C -1.581 173.169 174.600 0.249 0.000 1.265 133 S CA -0.721 57.358 58.200 -0.202 0.000 1.071 133 S CB 0.727 63.933 63.200 0.011 0.000 0.894 133 S HN 0.634 nan 8.310 nan 0.000 0.491 134 P HA -0.070 nan 4.420 nan 0.000 0.215 134 P C 0.011 177.538 177.300 0.379 0.000 1.157 134 P CA 0.641 63.644 63.100 -0.163 0.000 0.868 134 P CB -0.010 31.129 31.700 -0.934 0.000 0.788 135 W N 1.818 123.225 121.300 0.179 0.000 2.251 135 W HA 0.226 4.885 4.660 -0.001 0.000 0.327 135 W C -0.294 176.161 176.519 -0.107 0.000 1.361 135 W CA 0.033 57.402 57.345 0.041 0.000 1.234 135 W CB -0.485 28.903 29.460 -0.121 0.000 1.212 135 W HN -0.095 nan 8.180 nan 0.000 0.557 136 D N 5.314 125.426 120.400 -0.479 0.000 2.602 136 D HA 0.226 4.866 4.640 -0.001 0.000 0.245 136 D C 0.480 176.340 176.300 -0.732 0.000 1.325 136 D CA -0.409 53.331 54.000 -0.433 0.000 0.952 136 D CB 1.090 41.880 40.800 -0.016 0.000 1.317 136 D HN 0.503 nan 8.370 nan 0.000 0.577 137 R N 1.255 121.381 120.500 -0.623 0.000 2.310 137 R HA 0.112 4.452 4.340 -0.001 0.000 0.202 137 R C 1.158 177.182 176.300 -0.459 0.000 0.933 137 R CA 0.513 56.291 56.100 -0.537 0.000 1.054 137 R CB 0.639 30.626 30.300 -0.523 0.000 0.985 137 R HN 0.272 nan 8.270 nan 0.000 0.489 138 T N -0.243 114.015 114.554 -0.493 0.000 3.056 138 T HA -0.031 4.319 4.350 -0.001 0.000 0.241 138 T C 0.276 174.725 174.700 -0.418 0.000 1.006 138 T CA -0.040 61.602 62.100 -0.764 0.000 1.115 138 T CB 0.205 68.602 68.868 -0.784 0.000 0.939 138 T HN 0.085 nan 8.240 nan 0.000 0.462 139 E N 2.642 122.679 120.200 -0.272 0.000 2.415 139 E HA -0.027 4.323 4.350 -0.001 0.000 0.263 139 E C 1.073 177.597 176.600 -0.127 0.000 0.995 139 E CA 0.142 56.391 56.400 -0.252 0.000 0.915 139 E CB 0.643 30.091 29.700 -0.420 0.000 0.951 139 E HN 0.398 nan 8.360 nan 0.000 0.449 140 E N 2.714 122.854 120.200 -0.100 0.000 2.153 140 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 140 E C 1.158 177.763 176.600 0.007 0.000 0.988 140 E CA 1.379 57.769 56.400 -0.016 0.000 0.811 140 E CB -0.009 29.687 29.700 -0.007 0.000 0.746 140 E HN 0.658 nan 8.360 nan 0.000 0.466 141 S N -0.647 115.052 115.700 -0.001 0.000 2.515 141 S HA -0.142 4.327 4.470 -0.001 0.000 0.231 141 S C 0.675 175.333 174.600 0.098 0.000 0.987 141 S CA -0.229 58.015 58.200 0.072 0.000 0.936 141 S CB -0.477 62.796 63.200 0.122 0.000 0.766 141 S HN 0.360 nan 8.310 nan 0.000 0.528 142 Y N 3.046 123.300 120.300 -0.077 0.000 2.729 142 Y HA 0.352 4.901 4.550 -0.001 0.000 0.331 142 Y C 1.451 177.258 175.900 -0.155 0.000 1.208 142 Y CA 1.023 58.959 58.100 -0.274 0.000 1.521 142 Y CB -0.229 38.001 38.460 -0.384 0.000 1.233 142 Y HN 0.368 nan 8.280 nan 0.000 0.539 143 G N 4.187 112.572 108.800 -0.691 0.000 2.213 143 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.226 143 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.226 143 G C 1.106 175.861 174.900 -0.241 0.000 0.992 143 G CA 0.290 45.119 45.100 -0.451 0.000 0.632 143 G HN 0.610 nan 8.290 nan 0.000 0.511 144 K N 0.735 121.048 120.400 -0.143 0.000 2.418 144 K HA 0.401 4.720 4.320 -0.001 0.000 0.195 144 K C 1.899 178.473 176.600 -0.044 0.000 1.035 144 K CA 0.903 57.154 56.287 -0.059 0.000 1.003 144 K CB 0.269 32.766 32.500 -0.004 0.000 0.793 144 K HN 1.285 nan 8.250 nan 0.000 0.494 145 G N 2.024 110.787 108.800 -0.063 0.000 2.848 145 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.246 145 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.246 145 G C 0.711 175.640 174.900 0.048 0.000 1.374 145 G CA 0.261 45.344 45.100 -0.028 0.000 0.982 145 G HN 0.182 nan 8.290 nan 0.000 0.563 146 K N 1.245 121.671 120.400 0.043 0.000 2.103 146 K HA 0.121 4.440 4.320 -0.001 0.000 0.207 146 K C 2.842 179.500 176.600 0.096 0.000 1.048 146 K CA 2.358 58.682 56.287 0.062 0.000 0.930 146 K CB -0.508 32.017 32.500 0.041 0.000 0.716 146 K HN 0.925 nan 8.250 nan 0.000 0.444 147 A N 0.288 123.165 122.820 0.096 0.000 1.933 147 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 147 A C 2.032 179.730 177.584 0.190 0.000 1.175 147 A CA 1.440 53.548 52.037 0.120 0.000 0.628 147 A CB -0.815 18.242 19.000 0.096 0.000 0.814 147 A HN 0.608 nan 8.150 nan 0.000 0.444 148 Y N 1.034 121.393 120.300 0.100 0.000 2.263 148 Y HA -0.145 4.405 4.550 -0.001 0.000 0.292 148 Y C 1.847 177.931 175.900 0.307 0.000 1.130 148 Y CA 1.585 59.796 58.100 0.186 0.000 1.179 148 Y CB -0.144 38.376 38.460 0.100 0.000 0.998 148 Y HN 0.344 nan 8.280 nan 0.000 0.532 149 D N 0.328 120.830 120.400 0.170 0.000 2.123 149 D HA -0.201 4.438 4.640 -0.001 0.000 0.196 149 D C 1.627 177.996 176.300 0.115 0.000 0.992 149 D CA 1.739 55.855 54.000 0.194 0.000 0.833 149 D CB -0.316 40.613 40.800 0.214 0.000 0.954 149 D HN 0.437 nan 8.370 nan 0.000 0.455 150 D N -0.145 120.317 120.400 0.103 0.000 2.123 150 D HA -0.154 4.485 4.640 -0.001 0.000 0.196 150 D C 1.854 178.185 176.300 0.051 0.000 0.992 150 D CA 0.457 54.504 54.000 0.078 0.000 0.833 150 D CB -0.528 40.326 40.800 0.091 0.000 0.954 150 D HN 0.247 nan 8.370 nan 0.000 0.455 151 F N 0.091 119.986 119.950 -0.092 0.000 2.146 151 F HA -0.220 4.307 4.527 -0.001 0.000 0.298 151 F C 2.319 177.996 175.800 -0.205 0.000 1.096 151 F CA 1.036 58.966 58.000 -0.117 0.000 1.275 151 F CB -0.418 38.539 39.000 -0.072 0.000 1.008 151 F HN -0.082 nan 8.300 nan 0.000 0.480 152 Y N 0.402 120.457 120.300 -0.409 0.000 2.145 152 Y HA -0.211 4.339 4.550 -0.001 0.000 0.286 152 Y C 2.317 177.927 175.900 -0.483 0.000 1.145 152 Y CA 2.134 59.907 58.100 -0.546 0.000 1.148 152 Y CB -0.709 37.325 38.460 -0.710 0.000 0.981 152 Y HN -0.059 nan 8.280 nan 0.000 0.507 153 V N -0.121 119.650 119.914 -0.239 0.000 2.407 153 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 153 V C 2.572 178.528 176.094 -0.230 0.000 1.055 153 V CA 1.860 64.043 62.300 -0.194 0.000 1.049 153 V CB -1.500 30.311 31.823 -0.020 0.000 0.662 153 V HN 0.646 nan 8.190 nan 0.000 0.455 154 G N -1.111 107.549 108.800 -0.233 0.000 2.440 154 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.218 154 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.218 154 G C 1.504 176.246 174.900 -0.262 0.000 1.154 154 G CA 0.800 45.771 45.100 -0.215 0.000 0.767 154 G HN 0.537 nan 8.290 nan 0.000 0.552 155 Q N -0.456 119.089 119.800 -0.425 0.000 2.123 155 Q HA 0.166 4.505 4.340 -0.001 0.000 0.199 155 Q C 2.690 178.481 176.000 -0.349 0.000 0.966 155 Q CA 0.312 55.934 55.803 -0.301 0.000 0.845 155 Q CB -0.187 28.333 28.738 -0.362 0.000 0.907 155 Q HN 0.407 nan 8.270 nan 0.000 0.439 156 L N 0.382 121.304 121.223 -0.501 0.000 2.013 156 L HA -0.230 4.109 4.340 -0.001 0.000 0.212 156 L C 2.313 179.036 176.870 -0.244 0.000 1.073 156 L CA 1.448 56.041 54.840 -0.412 0.000 0.753 156 L CB -0.573 41.255 42.059 -0.386 0.000 0.890 156 L HN 0.304 nan 8.230 nan 0.000 0.432 157 T N -0.900 113.539 114.554 -0.192 0.000 2.746 157 T HA -0.205 4.145 4.350 -0.001 0.000 0.267 157 T C 1.648 176.283 174.700 -0.108 0.000 1.039 157 T CA 1.414 63.443 62.100 -0.118 0.000 1.142 157 T CB -0.167 68.648 68.868 -0.088 0.000 0.866 157 T HN 0.422 nan 8.240 nan 0.000 0.444 158 E N 0.803 120.939 120.200 -0.106 0.000 2.058 158 E HA -0.068 4.281 4.350 -0.001 0.000 0.194 158 E C 2.231 178.754 176.600 -0.129 0.000 0.997 158 E CA 0.944 57.301 56.400 -0.072 0.000 0.801 158 E CB -0.297 29.454 29.700 0.086 0.000 0.746 158 E HN 0.405 nan 8.360 nan 0.000 0.450 159 L N 0.540 121.615 121.223 -0.246 0.000 2.141 159 L HA -0.124 4.215 4.340 -0.001 0.000 0.209 159 L C 2.182 179.044 176.870 -0.014 0.000 1.094 159 L CA 0.710 55.424 54.840 -0.210 0.000 0.763 159 L CB -0.132 41.651 42.059 -0.459 0.000 0.908 159 L HN 0.176 nan 8.230 nan 0.000 0.437 160 L N -0.834 120.345 121.223 -0.073 0.000 2.592 160 L HA 0.016 4.356 4.340 -0.001 0.000 0.227 160 L C 1.928 178.784 176.870 -0.023 0.000 1.127 160 L CA 0.825 55.647 54.840 -0.032 0.000 0.884 160 L CB -0.383 41.646 42.059 -0.050 0.000 1.065 160 L HN 0.400 nan 8.230 nan 0.000 0.457 161 T N -6.289 108.231 114.554 -0.056 0.000 2.958 161 T HA 0.082 4.432 4.350 -0.001 0.000 0.256 161 T C 1.494 176.108 174.700 -0.144 0.000 0.983 161 T CA -0.258 61.797 62.100 -0.076 0.000 0.924 161 T CB 0.409 69.234 68.868 -0.072 0.000 1.136 161 T HN 0.015 nan 8.240 nan 0.000 0.506 162 Q N -0.142 119.498 119.800 -0.267 0.000 2.281 162 Q HA 0.292 4.631 4.340 -0.001 0.000 0.215 162 Q C -0.079 175.465 176.000 -0.761 0.000 0.867 162 Q CA 0.439 55.902 55.803 -0.566 0.000 0.940 162 Q CB 0.414 28.658 28.738 -0.823 0.000 1.111 162 Q HN 0.703 nan 8.270 nan 0.000 0.513 163 Y N -0.395 119.877 120.300 -0.047 0.000 2.641 163 Y HA 0.436 4.985 4.550 -0.001 0.000 0.248 163 Y C 1.156 177.047 175.900 -0.015 0.000 1.170 163 Y CA 0.060 58.129 58.100 -0.052 0.000 1.201 163 Y CB 0.783 39.208 38.460 -0.058 0.000 1.232 163 Y HN 0.102 nan 8.280 nan 0.000 0.537 164 G N 0.935 109.782 108.800 0.077 0.000 2.681 164 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.220 164 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.220 164 G C -2.780 172.198 174.900 0.131 0.000 1.353 164 G CA -1.359 43.790 45.100 0.082 0.000 0.872 164 G HN 0.010 nan 8.290 nan 0.000 0.557 165 P HA 0.425 nan 4.420 nan 0.000 0.268 165 P C -0.089 177.332 177.300 0.202 0.000 1.204 165 P CA -0.088 63.095 63.100 0.139 0.000 0.768 165 P CB 0.442 32.219 31.700 0.127 0.000 0.842 166 I N 4.566 125.223 120.570 0.145 0.000 2.362 166 I HA 0.155 4.324 4.170 -0.001 0.000 0.289 166 I C 1.071 177.225 176.117 0.063 0.000 0.994 166 I CA -0.740 60.612 61.300 0.087 0.000 1.158 166 I CB 0.798 38.796 38.000 -0.003 0.000 1.315 166 I HN 0.419 nan 8.210 nan 0.000 0.451 167 F N 3.469 123.415 119.950 -0.007 0.000 2.473 167 F HA 0.277 4.803 4.527 -0.001 0.000 0.294 167 F C 0.726 176.514 175.800 -0.020 0.000 1.103 167 F CA -0.032 57.965 58.000 -0.006 0.000 1.442 167 F CB 0.118 39.107 39.000 -0.018 0.000 1.097 167 F HN 0.382 nan 8.300 nan 0.000 0.547 168 S N 0.096 115.299 115.700 -0.828 0.000 2.543 168 S HA 0.647 5.117 4.470 -0.001 0.000 0.271 168 S C -1.543 172.806 174.600 -0.419 0.000 1.148 168 S CA -0.647 57.174 58.200 -0.631 0.000 0.914 168 S CB 1.602 64.249 63.200 -0.922 0.000 1.096 168 S HN 0.011 nan 8.310 nan 0.000 0.471 169 V N 4.597 124.404 119.914 -0.177 0.000 2.334 169 V HA 0.462 4.581 4.120 -0.001 0.000 0.281 169 V C -0.680 175.464 176.094 0.084 0.000 1.016 169 V CA -0.553 61.719 62.300 -0.047 0.000 0.832 169 V CB 0.870 32.697 31.823 0.007 0.000 0.999 169 V HN 0.898 nan 8.190 nan 0.000 0.439 170 W N 6.506 127.791 121.300 -0.024 0.000 2.390 170 W HA 0.723 5.382 4.660 -0.001 0.000 0.312 170 W C -0.869 175.830 176.519 0.299 0.000 1.123 170 W CA -0.386 57.003 57.345 0.073 0.000 1.202 170 W CB 1.118 30.558 29.460 -0.035 0.000 1.251 170 W HN 0.383 nan 8.180 nan 0.000 0.511 171 L N 7.226 128.465 121.223 0.028 0.000 2.438 171 L HA 0.297 4.636 4.340 -0.001 0.000 0.270 171 L C -0.169 176.670 176.870 -0.051 0.000 0.972 171 L CA -0.979 53.995 54.840 0.224 0.000 0.831 171 L CB 1.508 43.751 42.059 0.306 0.000 1.273 171 L HN 0.456 nan 8.230 nan 0.000 0.405 172 D N 1.665 122.220 120.400 0.259 0.000 2.487 172 D HA 0.371 5.011 4.640 -0.001 0.000 0.262 172 D C 0.537 177.029 176.300 0.319 0.000 1.130 172 D CA -0.550 53.536 54.000 0.143 0.000 1.038 172 D CB 2.290 43.242 40.800 0.253 0.000 1.142 172 D HN 0.509 nan 8.370 nan 0.000 0.575 173 G N -1.417 107.541 108.800 0.264 0.000 3.596 173 G HA2 0.441 4.400 3.960 -0.001 0.000 0.274 173 G HA3 0.441 4.400 3.960 -0.001 0.000 0.274 173 G C 0.467 175.579 174.900 0.353 0.000 1.007 173 G CA 0.187 45.548 45.100 0.434 0.000 0.825 173 G HN 0.742 nan 8.290 nan 0.000 0.508 174 A N 1.456 124.405 122.820 0.214 0.000 2.561 174 A HA 0.472 4.791 4.320 -0.001 0.000 0.234 174 A C 0.502 178.009 177.584 -0.127 0.000 1.055 174 A CA 0.414 52.434 52.037 -0.028 0.000 0.756 174 A CB 0.134 19.095 19.000 -0.065 0.000 0.986 174 A HN 0.640 nan 8.150 nan 0.000 0.505 175 N N 0.495 118.865 118.700 -0.550 0.000 3.204 175 N HA 0.797 5.537 4.740 -0.001 0.000 0.285 175 N C -0.347 174.498 175.510 -1.108 0.000 1.536 175 N CA 0.033 52.663 53.050 -0.700 0.000 0.832 175 N CB 0.918 39.221 38.487 -0.308 0.000 1.645 175 N HN 1.106 nan 8.380 nan 0.000 0.586 176 G N -0.696 107.767 108.800 -0.561 0.000 2.561 176 G HA2 0.464 4.424 3.960 -0.001 0.000 0.310 176 G HA3 0.464 4.424 3.960 -0.001 0.000 0.310 176 G C -1.757 173.169 174.900 0.042 0.000 1.292 176 G CA -0.575 44.398 45.100 -0.211 0.000 0.811 176 G HN 0.539 nan 8.290 nan 0.000 0.482 177 E N -0.703 119.555 120.200 0.096 0.000 2.248 177 E HA 0.555 4.905 4.350 -0.001 0.000 0.272 177 E C 0.773 177.483 176.600 0.184 0.000 1.008 177 E CA 0.182 56.610 56.400 0.046 0.000 0.856 177 E CB 1.532 31.232 29.700 0.001 0.000 1.120 177 E HN 0.696 nan 8.360 nan 0.000 0.397 178 G N 0.633 109.486 108.800 0.089 0.000 2.563 178 G HA2 0.015 3.974 3.960 -0.001 0.000 0.283 178 G HA3 0.015 3.974 3.960 -0.001 0.000 0.283 178 G C 0.591 175.536 174.900 0.076 0.000 1.309 178 G CA -0.371 44.814 45.100 0.141 0.000 1.022 178 G HN 0.556 nan 8.290 nan 0.000 0.501 179 K N -0.079 120.361 120.400 0.067 0.000 2.152 179 K HA -0.159 4.160 4.320 -0.001 0.000 0.206 179 K C 2.010 178.618 176.600 0.012 0.000 1.048 179 K CA 1.691 58.000 56.287 0.036 0.000 0.933 179 K CB -0.131 32.384 32.500 0.026 0.000 0.721 179 K HN 0.568 nan 8.250 nan 0.000 0.447 180 N N -0.155 118.547 118.700 0.003 0.000 2.550 180 N HA -0.062 4.678 4.740 -0.001 0.000 0.186 180 N C 1.114 176.614 175.510 -0.016 0.000 1.110 180 N CA 1.285 54.328 53.050 -0.011 0.000 0.912 180 N CB -0.148 38.327 38.487 -0.019 0.000 0.968 180 N HN 0.367 nan 8.380 nan 0.000 0.448 181 G N -0.535 108.257 108.800 -0.013 0.000 2.176 181 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.253 181 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.253 181 G C -0.241 174.633 174.900 -0.043 0.000 0.979 181 G CA 0.229 45.318 45.100 -0.019 0.000 0.641 181 G HN 0.479 nan 8.290 nan 0.000 0.530 182 K N 1.034 121.394 120.400 -0.066 0.000 2.143 182 K HA 0.481 4.801 4.320 -0.001 0.000 0.272 182 K C 0.054 176.536 176.600 -0.197 0.000 1.001 182 K CA -0.326 55.894 56.287 -0.111 0.000 0.915 182 K CB 1.089 33.525 32.500 -0.107 0.000 1.047 182 K HN 0.087 nan 8.250 nan 0.000 0.458 183 T N 2.687 117.075 114.554 -0.276 0.000 2.851 183 T HA 0.006 4.355 4.350 -0.001 0.000 0.298 183 T C 0.074 174.320 174.700 -0.756 0.000 0.977 183 T CA -0.149 61.653 62.100 -0.497 0.000 1.126 183 T CB 0.728 69.242 68.868 -0.591 0.000 0.916 183 T HN 0.360 nan 8.240 nan 0.000 0.529 184 Q N 2.644 121.949 119.800 -0.825 0.000 2.288 184 Q HA 0.302 4.641 4.340 -0.001 0.000 0.258 184 Q C -1.661 173.676 176.000 -1.106 0.000 0.957 184 Q CA -0.045 55.185 55.803 -0.955 0.000 0.919 184 Q CB 0.252 28.127 28.738 -1.439 0.000 1.185 184 Q HN 0.580 nan 8.270 nan 0.000 0.408 185 Y N 2.955 122.912 120.300 -0.571 0.000 2.446 185 Y HA 0.433 4.982 4.550 -0.001 0.000 0.338 185 Y C -0.931 174.588 175.900 -0.636 0.000 1.055 185 Y CA -0.808 56.930 58.100 -0.604 0.000 1.101 185 Y CB 1.111 39.385 38.460 -0.311 0.000 1.221 185 Y HN 0.494 nan 8.280 nan 0.000 0.460 186 Y N 0.401 120.551 120.300 -0.250 0.000 2.342 186 Y HA 0.213 4.763 4.550 -0.001 0.000 0.334 186 Y C 0.320 175.663 175.900 -0.929 0.000 1.067 186 Y CA -1.618 56.056 58.100 -0.708 0.000 1.128 186 Y CB 0.753 38.440 38.460 -1.289 0.000 1.200 186 Y HN 0.491 nan 8.280 nan 0.000 0.464 187 D N 2.859 122.789 120.400 -0.783 0.000 2.608 187 D HA -0.000 4.639 4.640 -0.001 0.000 0.224 187 D C 0.269 175.936 176.300 -1.055 0.000 1.123 187 D CA -0.055 53.545 54.000 -0.667 0.000 1.030 187 D CB -0.207 40.365 40.800 -0.379 0.000 1.093 187 D HN 0.628 nan 8.370 nan 0.000 0.497 188 W N 1.243 122.086 121.300 -0.761 0.000 2.321 188 W HA -0.198 4.462 4.660 -0.001 0.000 0.306 188 W C 2.135 178.028 176.519 -1.043 0.000 1.217 188 W CA 0.986 57.752 57.345 -0.966 0.000 1.257 188 W CB -0.249 28.823 29.460 -0.646 0.000 1.145 188 W HN 0.339 nan 8.180 nan 0.000 0.509 189 D N 0.094 120.300 120.400 -0.322 0.000 2.149 189 D HA -0.232 4.408 4.640 -0.001 0.000 0.198 189 D C 2.189 178.449 176.300 -0.067 0.000 0.990 189 D CA 1.654 55.586 54.000 -0.113 0.000 0.839 189 D CB -0.192 40.607 40.800 -0.002 0.000 0.948 189 D HN 0.004 nan 8.370 nan 0.000 0.460 190 R N -1.252 119.176 120.500 -0.119 0.000 2.075 190 R HA -0.162 4.177 4.340 -0.001 0.000 0.232 190 R C 1.926 178.323 176.300 0.162 0.000 1.126 190 R CA 1.125 57.235 56.100 0.016 0.000 0.963 190 R CB -0.321 29.986 30.300 0.012 0.000 0.858 190 R HN 0.272 nan 8.270 nan 0.000 0.435 191 Y N -0.244 120.009 120.300 -0.078 0.000 2.181 191 Y HA -0.221 4.328 4.550 -0.001 0.000 0.288 191 Y C 2.177 178.159 175.900 0.137 0.000 1.146 191 Y CA 0.603 58.710 58.100 0.011 0.000 1.164 191 Y CB -1.118 37.319 38.460 -0.038 0.000 0.982 191 Y HN 0.105 nan 8.280 nan 0.000 0.515 192 Y N -0.224 120.242 120.300 0.277 0.000 2.242 192 Y HA -0.182 4.367 4.550 -0.001 0.000 0.291 192 Y C 2.454 178.425 175.900 0.117 0.000 1.137 192 Y CA 0.777 58.982 58.100 0.175 0.000 1.181 192 Y CB -1.334 37.204 38.460 0.130 0.000 0.989 192 Y HN 0.179 nan 8.280 nan 0.000 0.527 193 N N 0.345 119.199 118.700 0.257 0.000 2.104 193 N HA -0.155 4.585 4.740 -0.001 0.000 0.190 193 N C 1.736 177.323 175.510 0.129 0.000 1.024 193 N CA 1.398 54.543 53.050 0.158 0.000 0.853 193 N CB -0.366 38.191 38.487 0.116 0.000 1.008 193 N HN 0.076 nan 8.380 nan 0.000 0.424 194 V N 0.709 120.707 119.914 0.139 0.000 2.295 194 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 194 V C 2.213 178.355 176.094 0.081 0.000 1.049 194 V CA 1.575 63.930 62.300 0.092 0.000 1.024 194 V CB -0.462 31.409 31.823 0.080 0.000 0.648 194 V HN 0.340 nan 8.190 nan 0.000 0.447 195 I N -0.813 119.829 120.570 0.121 0.000 2.179 195 I HA -0.192 3.978 4.170 -0.001 0.000 0.242 195 I C 2.773 178.932 176.117 0.070 0.000 1.088 195 I CA 1.288 62.644 61.300 0.092 0.000 1.357 195 I CB -0.512 37.569 38.000 0.135 0.000 1.051 195 I HN 0.176 nan 8.210 nan 0.000 0.409 196 R N 0.570 121.123 120.500 0.087 0.000 2.105 196 R HA -0.122 4.217 4.340 -0.001 0.000 0.239 196 R C 2.426 178.753 176.300 0.047 0.000 1.135 196 R CA 1.511 57.647 56.100 0.059 0.000 0.967 196 R CB -0.839 29.501 30.300 0.066 0.000 0.861 196 R HN 0.341 nan 8.270 nan 0.000 0.442 197 S N 0.853 116.584 115.700 0.051 0.000 2.371 197 S HA 0.048 4.518 4.470 -0.001 0.000 0.224 197 S C 2.052 176.667 174.600 0.026 0.000 1.029 197 S CA 0.748 58.970 58.200 0.036 0.000 0.978 197 S CB 0.031 63.254 63.200 0.037 0.000 0.833 197 S HN 0.204 nan 8.310 nan 0.000 0.466 198 L N 0.191 121.428 121.223 0.023 0.000 2.298 198 L HA 0.181 4.521 4.340 -0.001 0.000 0.209 198 L C 0.528 177.407 176.870 0.015 0.000 1.084 198 L CA 0.668 55.515 54.840 0.011 0.000 0.816 198 L CB 0.036 42.094 42.059 -0.001 0.000 0.967 198 L HN 0.161 nan 8.230 nan 0.000 0.460 199 Q N -0.620 119.193 119.800 0.021 0.000 3.300 199 Q HA 0.219 4.559 4.340 -0.001 0.000 0.271 199 Q C -1.981 174.036 176.000 0.028 0.000 0.926 199 Q CA -1.361 54.457 55.803 0.025 0.000 0.788 199 Q CB 1.367 30.116 28.738 0.019 0.000 1.385 199 Q HN 0.011 nan 8.270 nan 0.000 0.424 200 P HA -0.171 nan 4.420 nan 0.000 0.217 200 P C 0.546 177.863 177.300 0.029 0.000 1.151 200 P CA 1.381 64.498 63.100 0.027 0.000 0.849 200 P CB 0.446 32.161 31.700 0.025 0.000 0.787 201 D N -1.198 119.225 120.400 0.039 0.000 2.355 201 D HA 0.087 4.727 4.640 -0.001 0.000 0.218 201 D C 0.886 177.222 176.300 0.061 0.000 1.004 201 D CA 0.294 54.326 54.000 0.053 0.000 0.880 201 D CB -0.389 40.450 40.800 0.066 0.000 0.911 201 D HN 0.113 nan 8.370 nan 0.000 0.528 202 A N 0.935 123.778 122.820 0.039 0.000 2.425 202 A HA 0.372 4.691 4.320 -0.001 0.000 0.249 202 A C 0.488 178.064 177.584 -0.012 0.000 1.084 202 A CA -0.545 51.502 52.037 0.016 0.000 0.781 202 A CB 0.530 19.518 19.000 -0.020 0.000 1.019 202 A HN 0.049 nan 8.150 nan 0.000 0.490 203 V N 1.445 121.336 119.914 -0.037 0.000 2.461 203 V HA 0.536 4.656 4.120 -0.001 0.000 0.275 203 V C -0.012 175.998 176.094 -0.140 0.000 1.047 203 V CA -0.483 61.745 62.300 -0.120 0.000 0.955 203 V CB 0.362 32.030 31.823 -0.257 0.000 0.988 203 V HN 0.557 nan 8.190 nan 0.000 0.471 204 I N 4.701 125.190 120.570 -0.135 0.000 2.337 204 I HA 0.370 4.539 4.170 -0.001 0.000 0.291 204 I C 0.438 176.460 176.117 -0.158 0.000 1.046 204 I CA 0.456 61.690 61.300 -0.110 0.000 1.324 204 I CB 0.966 38.891 38.000 -0.125 0.000 1.409 204 I HN 0.723 nan 8.210 nan 0.000 0.494 205 S N 4.665 120.268 115.700 -0.163 0.000 2.503 205 S HA 0.641 5.111 4.470 -0.001 0.000 0.301 205 S C 0.703 175.061 174.600 -0.404 0.000 1.087 205 S CA -0.580 57.467 58.200 -0.256 0.000 1.042 205 S CB 2.367 65.448 63.200 -0.198 0.000 1.043 205 S HN 0.596 nan 8.310 nan 0.000 0.489 206 V N 0.334 120.050 119.914 -0.330 0.000 0.658 206 V HA -0.322 3.797 4.120 -0.001 0.000 0.092 206 V C 1.138 177.101 176.094 -0.218 0.000 1.231 206 V CA 1.514 63.615 62.300 -0.333 0.000 3.202 206 V CB -1.418 29.949 31.823 -0.760 0.000 0.425 206 V HN 0.942 nan 8.190 nan 0.000 0.415 207 C N 3.413 122.539 119.300 -0.291 0.000 3.093 207 C HA 0.649 5.108 4.460 -0.001 0.000 0.515 207 C C 0.874 175.750 174.990 -0.190 0.000 1.253 207 C CA 0.363 59.185 59.018 -0.326 0.000 1.476 207 C CB -2.189 25.252 27.740 -0.498 0.000 1.873 207 C HN 1.059 nan 8.230 nan 0.000 0.632 208 G N 0.917 109.626 108.800 -0.151 0.000 2.660 208 G HA2 0.516 4.475 3.960 -0.001 0.000 0.290 208 G HA3 0.516 4.475 3.960 -0.001 0.000 0.290 208 G C -2.467 172.274 174.900 -0.265 0.000 1.432 208 G CA -0.416 44.520 45.100 -0.273 0.000 0.807 208 G HN -0.056 nan 8.290 nan 0.000 0.485 209 P HA 0.114 nan 4.420 nan 0.000 0.240 209 P C 0.172 177.367 177.300 -0.175 0.000 1.190 209 P CA 0.684 63.543 63.100 -0.402 0.000 0.781 209 P CB 0.701 32.152 31.700 -0.415 0.000 0.931 210 D N -0.379 119.974 120.400 -0.079 0.000 2.262 210 D HA 0.060 4.699 4.640 -0.001 0.000 0.212 210 D C 0.593 176.848 176.300 -0.076 0.000 0.964 210 D CA 0.827 54.793 54.000 -0.057 0.000 0.875 210 D CB 0.619 41.321 40.800 -0.163 0.000 0.996 210 D HN 0.034 nan 8.370 nan 0.000 0.497 211 V N 0.849 120.670 119.914 -0.154 0.000 2.686 211 V HA 0.300 4.419 4.120 -0.001 0.000 0.306 211 V C -0.265 175.577 176.094 -0.421 0.000 1.065 211 V CA -1.001 61.031 62.300 -0.448 0.000 0.894 211 V CB 3.059 34.466 31.823 -0.694 0.000 1.004 211 V HN -0.103 nan 8.190 nan 0.000 0.424 212 R N 2.955 123.029 120.500 -0.709 0.000 2.407 212 R HA 0.346 4.685 4.340 -0.001 0.000 0.303 212 R C -1.003 175.167 176.300 -0.217 0.000 0.981 212 R CA -0.628 54.987 56.100 -0.810 0.000 0.905 212 R CB 1.083 30.578 30.300 -1.342 0.000 1.099 212 R HN 0.747 nan 8.270 nan 0.000 0.459 213 W N 4.779 125.937 121.300 -0.237 0.000 2.381 213 W HA 0.204 4.864 4.660 -0.001 0.000 0.321 213 W C 0.225 176.710 176.519 -0.057 0.000 1.407 213 W CA -0.050 57.252 57.345 -0.072 0.000 1.274 213 W CB 0.549 29.987 29.460 -0.037 0.000 1.310 213 W HN 0.834 nan 8.180 nan 0.000 0.551 214 A N 5.241 127.845 122.820 -0.360 0.000 2.019 214 A HA 0.120 4.439 4.320 -0.001 0.000 0.219 214 A C 2.066 179.185 177.584 -0.775 0.000 1.164 214 A CA 1.644 53.422 52.037 -0.432 0.000 0.644 214 A CB -1.125 17.749 19.000 -0.211 0.000 0.805 214 A HN 1.867 nan 8.150 nan 0.000 0.449 215 G N -0.172 107.598 108.800 -1.716 0.000 2.155 215 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.257 215 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.257 215 G C 0.024 174.474 174.900 -0.750 0.000 0.983 215 G CA 0.338 44.289 45.100 -1.915 0.000 0.676 215 G HN 1.094 nan 8.290 nan 0.000 0.528 216 N N 0.416 118.857 118.700 -0.431 0.000 2.503 216 N HA 0.258 4.997 4.740 -0.001 0.000 0.267 216 N C 0.070 175.581 175.510 0.002 0.000 1.214 216 N CA -0.168 52.794 53.050 -0.145 0.000 0.959 216 N CB 1.282 39.732 38.487 -0.062 0.000 1.142 216 N HN 0.540 nan 8.380 nan 0.000 0.455 217 E N 0.528 120.739 120.200 0.019 0.000 2.384 217 E HA 0.215 4.565 4.350 -0.001 0.000 0.266 217 E C -0.248 176.465 176.600 0.187 0.000 1.012 217 E CA -0.717 55.733 56.400 0.083 0.000 0.901 217 E CB 0.618 30.294 29.700 -0.041 0.000 0.967 217 E HN 0.685 nan 8.360 nan 0.000 0.435 218 A N 3.242 126.170 122.820 0.181 0.000 2.567 218 A HA 0.330 4.649 4.320 -0.001 0.000 0.240 218 A C 1.192 178.870 177.584 0.157 0.000 1.053 218 A CA 0.778 52.904 52.037 0.148 0.000 0.755 218 A CB -0.478 18.584 19.000 0.103 0.000 0.978 218 A HN 1.092 nan 8.150 nan 0.000 0.507 219 G N 1.665 110.496 108.800 0.051 0.000 2.176 219 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.253 219 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.253 219 G C -0.047 174.676 174.900 -0.297 0.000 0.979 219 G CA 0.707 45.747 45.100 -0.101 0.000 0.641 219 G HN 1.275 nan 8.290 nan 0.000 0.530 220 H N -1.159 117.902 119.070 -0.015 0.000 2.637 220 H HA 0.695 5.250 4.556 -0.001 0.000 0.363 220 H C 0.079 175.381 175.328 -0.043 0.000 1.131 220 H CA -0.248 55.784 56.048 -0.027 0.000 1.183 220 H CB 2.420 32.169 29.762 -0.021 0.000 1.637 220 H HN 0.747 nan 8.280 nan 0.000 0.531 221 V N -0.397 119.549 119.914 0.052 0.000 3.040 221 V HA 0.590 4.710 4.120 -0.001 0.000 0.312 221 V C 0.184 176.273 176.094 -0.008 0.000 1.115 221 V CA -1.400 60.895 62.300 -0.008 0.000 0.998 221 V CB 2.019 33.809 31.823 -0.054 0.000 1.042 221 V HN 0.667 nan 8.190 nan 0.000 0.433 222 R N 1.233 121.709 120.500 -0.041 0.000 2.623 222 R HA 0.116 4.455 4.340 -0.001 0.000 0.271 222 R C 0.446 176.721 176.300 -0.041 0.000 1.043 222 R CA -0.050 56.028 56.100 -0.038 0.000 1.083 222 R CB 0.394 30.663 30.300 -0.053 0.000 0.974 222 R HN 0.833 nan 8.270 nan 0.000 0.436 223 D N 1.005 121.393 120.400 -0.021 0.000 2.117 223 D HA -0.085 4.554 4.640 -0.001 0.000 0.198 223 D C -0.071 176.196 176.300 -0.056 0.000 0.982 223 D CA 1.568 55.552 54.000 -0.026 0.000 0.828 223 D CB 0.166 40.969 40.800 0.004 0.000 0.967 223 D HN 0.399 nan 8.370 nan 0.000 0.464 224 N N 1.250 119.924 118.700 -0.044 0.000 2.524 224 N HA 0.162 4.902 4.740 -0.001 0.000 0.261 224 N C -1.074 174.366 175.510 -0.118 0.000 0.998 224 N CA -0.249 52.739 53.050 -0.104 0.000 0.915 224 N CB 2.076 40.567 38.487 0.008 0.000 1.187 224 N HN -0.048 nan 8.380 nan 0.000 0.507 225 E N 2.078 122.140 120.200 -0.229 0.000 2.073 225 E HA 0.259 4.609 4.350 -0.001 0.000 0.269 225 E C -1.417 175.015 176.600 -0.279 0.000 0.917 225 E CA -0.451 55.844 56.400 -0.174 0.000 0.757 225 E CB 0.515 30.127 29.700 -0.146 0.000 1.111 225 E HN 0.330 nan 8.360 nan 0.000 0.410 226 W N 3.249 124.484 121.300 -0.107 0.000 2.390 226 W HA 0.265 4.925 4.660 -0.001 0.000 0.312 226 W C 1.067 177.440 176.519 -0.244 0.000 1.123 226 W CA -0.466 56.796 57.345 -0.138 0.000 1.202 226 W CB 1.788 31.191 29.460 -0.096 0.000 1.251 226 W HN 0.482 nan 8.180 nan 0.000 0.511 227 S N 1.210 116.812 115.700 -0.163 0.000 2.527 227 S HA 0.013 4.482 4.470 -0.001 0.000 0.222 227 S C 0.410 174.678 174.600 -0.553 0.000 0.985 227 S CA 0.039 57.881 58.200 -0.597 0.000 0.921 227 S CB -0.056 62.361 63.200 -1.305 0.000 0.772 227 S HN 0.207 nan 8.310 nan 0.000 0.529 228 V N 3.520 123.344 119.914 -0.150 0.000 2.333 228 V HA 0.537 4.656 4.120 -0.001 0.000 0.274 228 V C -0.061 176.021 176.094 -0.020 0.000 1.028 228 V CA -0.464 61.824 62.300 -0.020 0.000 0.851 228 V CB 0.672 32.559 31.823 0.107 0.000 1.000 228 V HN 0.224 nan 8.190 nan 0.000 0.456 229 V N 3.511 123.412 119.914 -0.022 0.000 3.181 229 V HA 0.752 4.871 4.120 -0.001 0.000 0.308 229 V C -3.017 173.016 176.094 -0.101 0.000 1.214 229 V CA -3.071 59.194 62.300 -0.058 0.000 1.053 229 V CB 2.306 34.116 31.823 -0.021 0.000 1.069 229 V HN 0.518 nan 8.190 nan 0.000 0.441 230 P HA 0.244 nan 4.420 nan 0.000 0.265 230 P C 0.409 177.561 177.300 -0.247 0.000 1.193 230 P CA 0.094 62.945 63.100 -0.415 0.000 0.765 230 P CB 0.486 31.641 31.700 -0.908 0.000 0.823 231 R N 4.360 124.744 120.500 -0.193 0.000 2.152 231 R HA -0.161 4.178 4.340 -0.001 0.000 0.232 231 R C 2.074 178.270 176.300 -0.173 0.000 1.117 231 R CA 1.165 57.170 56.100 -0.157 0.000 0.981 231 R CB -0.074 30.168 30.300 -0.097 0.000 0.870 231 R HN 0.451 nan 8.270 nan 0.000 0.451 232 R N 0.245 120.651 120.500 -0.157 0.000 2.200 232 R HA -0.135 4.205 4.340 -0.001 0.000 0.234 232 R C 1.920 178.162 176.300 -0.096 0.000 1.127 232 R CA 1.226 57.262 56.100 -0.108 0.000 0.989 232 R CB -0.758 29.501 30.300 -0.069 0.000 0.869 232 R HN 0.281 nan 8.270 nan 0.000 0.459 233 L N 0.700 121.869 121.223 -0.090 0.000 2.353 233 L HA -0.051 4.288 4.340 -0.001 0.000 0.220 233 L C 2.565 179.454 176.870 0.032 0.000 1.133 233 L CA 1.125 55.980 54.840 0.026 0.000 0.798 233 L CB -0.249 41.892 42.059 0.137 0.000 0.922 233 L HN 0.235 nan 8.230 nan 0.000 0.445 234 R N -0.471 119.877 120.500 -0.253 0.000 2.148 234 R HA -0.056 4.283 4.340 -0.001 0.000 0.223 234 R C 1.701 177.866 176.300 -0.226 0.000 1.088 234 R CA 1.308 57.130 56.100 -0.463 0.000 0.985 234 R CB -0.020 29.903 30.300 -0.628 0.000 0.880 234 R HN 0.350 nan 8.270 nan 0.000 0.451 235 S N -0.710 114.900 115.700 -0.149 0.000 2.561 235 S HA 0.403 4.873 4.470 -0.001 0.000 0.245 235 S C 0.398 174.934 174.600 -0.106 0.000 1.001 235 S CA -0.620 57.500 58.200 -0.133 0.000 1.002 235 S CB 0.754 63.898 63.200 -0.093 0.000 0.805 235 S HN 0.223 nan 8.310 nan 0.000 0.458 255 V N 2.555 122.510 119.914 0.067 0.000 2.969 255 V HA 0.835 4.955 4.120 -0.001 0.000 0.304 255 V C -0.514 175.601 176.094 0.035 0.000 1.192 255 V CA -0.340 61.991 62.300 0.051 0.000 0.962 255 V CB 2.257 34.111 31.823 0.052 0.000 1.045 255 V HN 1.217 nan 8.190 nan 0.000 0.428 256 S N 1.758 117.475 115.700 0.028 0.000 2.632 256 S HA 0.477 4.946 4.470 -0.001 0.000 0.289 256 S C 0.753 175.359 174.600 0.010 0.000 1.115 256 S CA 0.041 58.262 58.200 0.036 0.000 0.889 256 S CB 2.000 65.232 63.200 0.054 0.000 1.116 256 S HN 0.623 nan 8.310 nan 0.000 0.486 257 S N 1.017 116.733 115.700 0.027 0.000 2.465 257 S HA -0.105 4.364 4.470 -0.001 0.000 0.241 257 S C 1.367 175.856 174.600 -0.184 0.000 1.000 257 S CA 1.279 59.450 58.200 -0.050 0.000 0.964 257 S CB -0.416 62.812 63.200 0.047 0.000 0.763 257 S HN 0.780 nan 8.310 nan 0.000 0.512 258 Q N 0.506 120.234 119.800 -0.121 0.000 2.356 258 Q HA 0.123 4.463 4.340 -0.001 0.000 0.205 258 Q C -0.613 175.329 176.000 -0.097 0.000 0.901 258 Q CA -0.115 55.592 55.803 -0.160 0.000 0.938 258 Q CB 0.194 28.890 28.738 -0.071 0.000 1.081 258 Q HN 0.379 nan 8.270 nan 0.000 0.517 259 D N 1.505 121.869 120.400 -0.060 0.000 2.472 259 D HA -0.063 4.576 4.640 -0.001 0.000 0.237 259 D C 0.511 176.786 176.300 -0.041 0.000 1.141 259 D CA 0.283 54.263 54.000 -0.034 0.000 0.875 259 D CB 0.743 41.536 40.800 -0.012 0.000 1.192 259 D HN -0.017 nan 8.370 nan 0.000 0.450 260 D N 0.246 120.631 120.400 -0.025 0.000 2.117 260 D HA -0.137 4.502 4.640 -0.001 0.000 0.197 260 D C 0.351 176.658 176.300 0.012 0.000 0.987 260 D CA 1.169 55.160 54.000 -0.016 0.000 0.829 260 D CB 0.130 40.926 40.800 -0.007 0.000 0.961 260 D HN 0.357 nan 8.370 nan 0.000 0.460 261 D N -0.070 120.345 120.400 0.024 0.000 2.460 261 D HA 0.175 4.814 4.640 -0.001 0.000 0.232 261 D C 0.788 177.111 176.300 0.039 0.000 1.079 261 D CA -0.245 53.788 54.000 0.054 0.000 0.864 261 D CB 0.695 41.528 40.800 0.055 0.000 1.048 261 D HN -0.055 nan 8.370 nan 0.000 0.523 262 L N 2.083 123.335 121.223 0.048 0.000 2.357 262 L HA 0.323 4.663 4.340 -0.001 0.000 0.211 262 L C 1.877 178.734 176.870 -0.021 0.000 1.075 262 L CA 0.492 55.337 54.840 0.009 0.000 0.830 262 L CB 0.472 42.529 42.059 -0.004 0.000 0.996 262 L HN 0.489 nan 8.230 nan 0.000 0.467 263 G N -0.800 107.997 108.800 -0.005 0.000 3.274 263 G HA2 0.031 3.990 3.960 -0.001 0.000 0.250 263 G HA3 0.031 3.990 3.960 -0.001 0.000 0.250 263 G C 0.561 175.039 174.900 -0.704 0.000 1.024 263 G CA 0.304 45.241 45.100 -0.272 0.000 0.840 263 G HN 0.272 nan 8.290 nan 0.000 0.522 264 S N -0.015 115.487 115.700 -0.331 0.000 2.572 264 S HA 0.168 4.638 4.470 -0.001 0.000 0.267 264 S C 1.487 175.919 174.600 -0.280 0.000 1.361 264 S CA -0.194 57.843 58.200 -0.271 0.000 1.009 264 S CB 1.263 64.462 63.200 -0.002 0.000 0.888 264 S HN 0.311 nan 8.310 nan 0.000 0.553 265 R N 0.856 121.226 120.500 -0.216 0.000 2.103 265 R HA -0.167 4.172 4.340 -0.001 0.000 0.242 265 R C 2.442 178.694 176.300 -0.079 0.000 1.142 265 R CA 1.884 57.895 56.100 -0.147 0.000 0.960 265 R CB -0.571 29.678 30.300 -0.084 0.000 0.858 265 R HN 0.934 nan 8.270 nan 0.000 0.439 266 E N 0.677 120.848 120.200 -0.048 0.000 2.110 266 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 266 E C 1.873 178.467 176.600 -0.010 0.000 0.988 266 E CA 1.204 57.590 56.400 -0.024 0.000 0.804 266 E CB -0.012 29.683 29.700 -0.008 0.000 0.745 266 E HN 0.370 nan 8.360 nan 0.000 0.458 267 A N 0.717 123.530 122.820 -0.011 0.000 1.969 267 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 267 A C 2.216 179.868 177.584 0.114 0.000 1.169 267 A CA 1.525 53.583 52.037 0.035 0.000 0.635 267 A CB -0.300 18.706 19.000 0.010 0.000 0.810 267 A HN 0.325 nan 8.150 nan 0.000 0.445 268 V N -4.121 115.825 119.914 0.053 0.000 3.660 268 V HA 0.487 4.606 4.120 -0.001 0.000 0.276 268 V C 2.066 178.241 176.094 0.134 0.000 1.317 268 V CA 0.628 63.019 62.300 0.151 0.000 1.097 268 V CB -0.771 31.040 31.823 -0.019 0.000 0.863 268 V HN 0.438 nan 8.190 nan 0.000 0.438 269 A N 2.304 125.142 122.820 0.029 0.000 1.859 269 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 269 A C 2.301 179.851 177.584 -0.058 0.000 1.209 269 A CA 2.524 54.547 52.037 -0.023 0.000 0.639 269 A CB -1.618 17.358 19.000 -0.041 0.000 0.835 269 A HN 0.881 nan 8.150 nan 0.000 0.450 270 G N -3.051 105.663 108.800 -0.143 0.000 2.586 270 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.215 270 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.215 270 G C 1.128 175.827 174.900 -0.335 0.000 1.128 270 G CA 1.003 45.943 45.100 -0.267 0.000 0.774 270 G HN 0.604 nan 8.290 nan 0.000 0.543 271 Y N 0.269 120.527 120.300 -0.069 0.000 2.510 271 Y HA 0.285 4.834 4.550 -0.001 0.000 0.273 271 Y C 2.304 178.138 175.900 -0.110 0.000 1.119 271 Y CA -0.139 57.915 58.100 -0.076 0.000 1.286 271 Y CB 0.079 38.501 38.460 -0.063 0.000 1.061 271 Y HN 0.309 nan 8.280 nan 0.000 0.542 272 G N 1.522 110.316 108.800 -0.011 0.000 2.651 272 G HA2 -0.440 3.520 3.960 -0.001 0.000 0.315 272 G HA3 -0.440 3.520 3.960 -0.001 0.000 0.315 272 G C 0.990 175.732 174.900 -0.262 0.000 1.258 272 G CA 0.812 45.837 45.100 -0.125 0.000 1.002 272 G HN 0.436 nan 8.290 nan 0.000 0.551 273 D N 1.098 121.248 120.400 -0.418 0.000 2.363 273 D HA -0.027 4.613 4.640 -0.001 0.000 0.220 273 D C 1.283 177.428 176.300 -0.259 0.000 0.994 273 D CA 0.769 54.312 54.000 -0.763 0.000 0.890 273 D CB -0.264 40.153 40.800 -0.639 0.000 0.906 273 D HN 0.284 nan 8.370 nan 0.000 0.530 274 N N 1.042 119.687 118.700 -0.092 0.000 2.878 274 N HA 0.061 4.801 4.740 -0.001 0.000 0.282 274 N C -0.418 175.094 175.510 0.003 0.000 1.284 274 N CA -0.246 52.804 53.050 0.001 0.000 1.053 274 N CB -0.067 38.453 38.487 0.055 0.000 1.382 274 N HN 0.182 nan 8.380 nan 0.000 0.529 275 V N -2.172 117.771 119.914 0.048 0.000 3.155 275 V HA 0.857 4.976 4.120 -0.001 0.000 0.313 275 V C 0.103 176.273 176.094 0.127 0.000 1.162 275 V CA -1.056 61.277 62.300 0.055 0.000 1.048 275 V CB 1.365 33.239 31.823 0.085 0.000 1.092 275 V HN 0.321 nan 8.190 nan 0.000 0.447 276 C N -1.352 118.008 119.300 0.099 0.000 3.320 276 C HA 0.624 5.083 4.460 -0.001 0.000 0.335 276 C C -0.988 174.117 174.990 0.191 0.000 1.430 276 C CA -0.705 58.393 59.018 0.132 0.000 1.271 276 C CB 1.389 29.153 27.740 0.040 0.000 1.609 276 C HN 1.350 nan 8.230 nan 0.000 0.457 277 W N 2.592 123.926 121.300 0.057 0.000 2.387 277 W HA 0.515 5.174 4.660 -0.001 0.000 0.310 277 W C -1.687 174.924 176.519 0.154 0.000 1.181 277 W CA 0.153 57.555 57.345 0.095 0.000 1.333 277 W CB 0.847 30.346 29.460 0.065 0.000 1.286 277 W HN 0.842 nan 8.180 nan 0.000 0.455 278 Y N 9.616 129.746 120.300 -0.284 0.000 2.517 278 Y HA 0.286 4.835 4.550 -0.001 0.000 0.346 278 Y C -2.315 173.420 175.900 -0.275 0.000 1.113 278 Y CA -2.915 55.066 58.100 -0.198 0.000 1.295 278 Y CB 0.606 38.983 38.460 -0.138 0.000 1.094 278 Y HN 0.186 nan 8.280 nan 0.000 0.608 279 P HA 0.383 nan 4.420 nan 0.000 0.277 279 P C -0.588 176.608 177.300 -0.174 0.000 1.240 279 P CA -0.191 62.770 63.100 -0.232 0.000 0.798 279 P CB 1.715 33.467 31.700 0.087 0.000 0.979 280 A N 1.713 124.496 122.820 -0.062 0.000 2.327 280 A HA 0.341 4.661 4.320 -0.001 0.000 0.283 280 A C 0.089 177.781 177.584 0.182 0.000 1.127 280 A CA -0.413 51.600 52.037 -0.040 0.000 0.810 280 A CB 0.083 19.030 19.000 -0.088 0.000 1.066 280 A HN 0.641 nan 8.150 nan 0.000 0.492 281 E N 2.304 122.616 120.200 0.186 0.000 2.191 281 E HA 0.487 4.836 4.350 -0.001 0.000 0.263 281 E C -1.562 175.181 176.600 0.238 0.000 0.881 281 E CA -0.556 56.040 56.400 0.326 0.000 0.757 281 E CB 1.498 31.503 29.700 0.508 0.000 1.147 281 E HN 0.393 nan 8.360 nan 0.000 0.414 282 V N 4.599 124.609 119.914 0.160 0.000 2.461 282 V HA 0.159 4.279 4.120 -0.001 0.000 0.275 282 V C -0.286 175.949 176.094 0.235 0.000 1.047 282 V CA -0.185 62.207 62.300 0.153 0.000 0.955 282 V CB 0.915 32.770 31.823 0.054 0.000 0.988 282 V HN 0.745 nan 8.190 nan 0.000 0.471 283 D N 2.491 123.117 120.400 0.377 0.000 2.498 283 D HA 0.677 5.316 4.640 -0.001 0.000 0.247 283 D C -0.496 176.043 176.300 0.399 0.000 1.070 283 D CA -0.506 53.752 54.000 0.429 0.000 0.842 283 D CB 2.239 43.414 40.800 0.624 0.000 1.361 283 D HN 0.474 nan 8.370 nan 0.000 0.484 284 T N 0.332 115.026 114.554 0.233 0.000 2.821 284 T HA 0.545 4.894 4.350 -0.001 0.000 0.306 284 T C -1.514 173.002 174.700 -0.307 0.000 1.313 284 T CA -0.733 61.351 62.100 -0.028 0.000 1.012 284 T CB 1.542 70.395 68.868 -0.025 0.000 1.298 284 T HN 0.415 nan 8.240 nan 0.000 0.502 285 S N 1.307 116.595 115.700 -0.687 0.000 2.608 285 S HA 0.523 4.992 4.470 -0.001 0.000 0.291 285 S C 1.209 175.585 174.600 -0.374 0.000 1.146 285 S CA -0.807 56.978 58.200 -0.691 0.000 1.043 285 S CB 0.831 63.333 63.200 -1.163 0.000 1.037 285 S HN 0.688 nan 8.310 nan 0.000 0.520 286 I N 2.292 122.704 120.570 -0.263 0.000 3.001 286 I HA 0.075 4.245 4.170 -0.001 0.000 0.268 286 I C 0.586 176.594 176.117 -0.181 0.000 1.267 286 I CA 0.724 61.922 61.300 -0.171 0.000 1.472 286 I CB -0.026 37.905 38.000 -0.115 0.000 1.089 286 I HN 0.542 nan 8.210 nan 0.000 0.468 287 R N -0.525 119.826 120.500 -0.248 0.000 2.919 287 R HA 0.356 4.696 4.340 -0.001 0.000 0.260 287 R C -1.845 174.293 176.300 -0.271 0.000 1.067 287 R CA -1.523 54.444 56.100 -0.221 0.000 1.003 287 R CB 0.362 30.539 30.300 -0.205 0.000 1.192 287 R HN -0.274 nan 8.270 nan 0.000 0.488 288 P HA -0.124 nan 4.420 nan 0.000 0.215 288 P C 0.269 177.424 177.300 -0.241 0.000 1.157 288 P CA 1.090 64.082 63.100 -0.180 0.000 0.868 288 P CB 0.078 31.717 31.700 -0.101 0.000 0.788 289 G N -2.279 106.416 108.800 -0.176 0.000 2.504 289 G HA2 0.175 4.135 3.960 -0.001 0.000 0.288 289 G HA3 0.175 4.135 3.960 -0.001 0.000 0.288 289 G C -0.222 174.460 174.900 -0.364 0.000 1.182 289 G CA -0.483 44.537 45.100 -0.134 0.000 0.894 289 G HN 0.101 nan 8.290 nan 0.000 0.521 290 W N -0.191 120.917 121.300 -0.321 0.000 2.494 290 W HA 0.287 4.946 4.660 -0.001 0.000 0.286 290 W C 0.649 176.725 176.519 -0.739 0.000 1.218 290 W CA -0.169 56.755 57.345 -0.703 0.000 1.313 290 W CB -0.057 28.720 29.460 -1.139 0.000 1.105 290 W HN 0.232 nan 8.180 nan 0.000 0.561 291 F N -0.878 118.959 119.950 -0.188 0.000 2.368 291 F HA 0.219 4.745 4.527 -0.001 0.000 0.315 291 F C 0.215 175.735 175.800 -0.467 0.000 1.145 291 F CA -1.453 56.390 58.000 -0.263 0.000 1.095 291 F CB -0.072 38.761 39.000 -0.278 0.000 1.286 291 F HN -0.326 nan 8.300 nan 0.000 0.530 292 Y N 2.140 122.275 120.300 -0.275 0.000 2.377 292 Y HA 0.237 4.786 4.550 -0.001 0.000 0.330 292 Y C -0.548 175.001 175.900 -0.585 0.000 1.108 292 Y CA -0.278 57.632 58.100 -0.317 0.000 1.308 292 Y CB -0.002 38.382 38.460 -0.127 0.000 1.216 292 Y HN 0.358 nan 8.280 nan 0.000 0.518 293 H N 6.296 125.038 119.070 -0.547 0.000 2.782 293 H HA 0.090 4.645 4.556 -0.001 0.000 0.347 293 H C 0.289 175.253 175.328 -0.607 0.000 1.038 293 H CA -0.588 55.242 56.048 -0.363 0.000 1.255 293 H CB 2.106 31.762 29.762 -0.177 0.000 1.623 293 H HN 0.852 nan 8.280 nan 0.000 0.525 294 Q N 2.172 121.849 119.800 -0.204 0.000 2.135 294 Q HA -0.169 4.171 4.340 -0.001 0.000 0.204 294 Q C 1.663 177.606 176.000 -0.096 0.000 0.981 294 Q CA 2.217 57.956 55.803 -0.106 0.000 0.856 294 Q CB 0.251 29.060 28.738 0.118 0.000 0.902 294 Q HN 0.706 nan 8.270 nan 0.000 0.425 295 S N -0.360 115.308 115.700 -0.052 0.000 2.465 295 S HA -0.162 4.307 4.470 -0.001 0.000 0.241 295 S C 1.094 175.651 174.600 -0.073 0.000 1.000 295 S CA 1.360 59.533 58.200 -0.045 0.000 0.964 295 S CB -0.135 63.044 63.200 -0.034 0.000 0.763 295 S HN 0.459 nan 8.310 nan 0.000 0.512 296 E N 0.397 120.525 120.200 -0.120 0.000 2.463 296 E HA 0.097 4.446 4.350 -0.001 0.000 0.193 296 E C 0.378 176.892 176.600 -0.143 0.000 1.041 296 E CA -0.006 56.319 56.400 -0.126 0.000 0.879 296 E CB 0.094 29.719 29.700 -0.124 0.000 0.997 296 E HN 0.443 nan 8.360 nan 0.000 0.478 297 D N 1.679 121.996 120.400 -0.138 0.000 2.310 297 D HA -0.138 4.502 4.640 -0.001 0.000 0.212 297 D C 1.141 177.411 176.300 -0.049 0.000 0.965 297 D CA 0.979 54.927 54.000 -0.087 0.000 0.879 297 D CB -0.019 40.763 40.800 -0.030 0.000 0.921 297 D HN 0.317 nan 8.370 nan 0.000 0.510 298 D N -0.527 119.844 120.400 -0.048 0.000 2.342 298 D HA -0.011 4.628 4.640 -0.001 0.000 0.221 298 D C 0.434 176.708 176.300 -0.042 0.000 1.101 298 D CA 0.047 54.026 54.000 -0.035 0.000 0.837 298 D CB -0.108 40.677 40.800 -0.026 0.000 0.938 298 D HN 0.036 nan 8.370 nan 0.000 0.508 299 K N 0.461 120.826 120.400 -0.058 0.000 2.646 299 K HA 0.246 4.566 4.320 -0.001 0.000 0.206 299 K C -0.152 176.403 176.600 -0.074 0.000 1.069 299 K CA -0.290 55.960 56.287 -0.063 0.000 1.067 299 K CB 1.803 34.261 32.500 -0.069 0.000 0.807 299 K HN -0.071 nan 8.250 nan 0.000 0.482 303 A N 0.868 123.679 122.820 -0.015 0.000 1.940 303 A HA -0.065 4.255 4.320 -0.001 0.000 0.219 303 A C 1.638 179.236 177.584 0.022 0.000 1.176 303 A CA 2.262 54.288 52.037 -0.017 0.000 0.631 303 A CB -1.186 17.783 19.000 -0.052 0.000 0.814 303 A HN 0.819 nan 8.150 nan 0.000 0.446 304 D N -0.679 119.737 120.400 0.027 0.000 2.144 304 D HA -0.114 4.525 4.640 -0.001 0.000 0.200 304 D C 2.211 178.562 176.300 0.085 0.000 0.978 304 D CA 1.267 55.313 54.000 0.077 0.000 0.833 304 D CB -0.322 40.505 40.800 0.045 0.000 0.961 304 D HN 0.622 nan 8.370 nan 0.000 0.470 305 Q N -0.152 119.670 119.800 0.037 0.000 2.124 305 Q HA -0.043 4.297 4.340 -0.001 0.000 0.202 305 Q C 2.415 178.434 176.000 0.032 0.000 0.977 305 Q CA 0.675 56.489 55.803 0.017 0.000 0.850 305 Q CB 0.034 28.767 28.738 -0.008 0.000 0.901 305 Q HN 0.307 nan 8.270 nan 0.000 0.429 306 L N -0.703 120.551 121.223 0.052 0.000 2.093 306 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 306 L C 2.229 179.193 176.870 0.156 0.000 1.085 306 L CA 0.672 55.556 54.840 0.073 0.000 0.755 306 L CB -0.367 41.722 42.059 0.051 0.000 0.904 306 L HN 0.228 nan 8.230 nan 0.000 0.435 307 F N 1.491 121.431 119.950 -0.017 0.000 2.102 307 F HA -0.222 4.304 4.527 -0.001 0.000 0.298 307 F C 2.239 178.067 175.800 0.048 0.000 1.105 307 F CA 1.536 59.529 58.000 -0.011 0.000 1.239 307 F CB -0.390 38.564 39.000 -0.076 0.000 0.991 307 F HN 0.108 nan 8.300 nan 0.000 0.474 308 D N 0.316 120.684 120.400 -0.054 0.000 2.149 308 D HA -0.192 4.447 4.640 -0.001 0.000 0.198 308 D C 2.308 178.528 176.300 -0.134 0.000 0.990 308 D CA 1.355 55.256 54.000 -0.164 0.000 0.839 308 D CB -0.636 40.113 40.800 -0.084 0.000 0.948 308 D HN 0.319 nan 8.370 nan 0.000 0.460 309 L N -0.365 120.831 121.223 -0.046 0.000 2.017 309 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 309 L C 2.149 179.004 176.870 -0.026 0.000 1.073 309 L CA 1.660 56.480 54.840 -0.034 0.000 0.745 309 L CB -0.925 41.137 42.059 0.005 0.000 0.894 309 L HN 0.165 nan 8.230 nan 0.000 0.432 310 W N 0.145 121.349 121.300 -0.159 0.000 2.317 310 W HA -0.268 4.392 4.660 -0.001 0.000 0.318 310 W C 2.313 178.678 176.519 -0.257 0.000 1.227 310 W CA 2.442 59.690 57.345 -0.163 0.000 1.269 310 W CB -0.346 29.060 29.460 -0.091 0.000 1.155 310 W HN 0.155 nan 8.180 nan 0.000 0.484 311 L N -0.132 120.975 121.223 -0.193 0.000 2.079 311 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 311 L C 2.759 179.400 176.870 -0.382 0.000 1.081 311 L CA 1.711 56.291 54.840 -0.433 0.000 0.752 311 L CB -1.112 40.636 42.059 -0.517 0.000 0.896 311 L HN 0.015 nan 8.230 nan 0.000 0.433 312 S N -1.001 114.533 115.700 -0.277 0.000 2.395 312 S HA -0.034 4.436 4.470 -0.001 0.000 0.225 312 S C 1.952 176.422 174.600 -0.215 0.000 1.027 312 S CA 1.042 59.114 58.200 -0.213 0.000 0.965 312 S CB 0.088 63.194 63.200 -0.157 0.000 0.812 312 S HN 0.439 nan 8.310 nan 0.000 0.482 313 A N 0.524 123.201 122.820 -0.238 0.000 1.859 313 A HA 0.172 4.491 4.320 -0.001 0.000 0.212 313 A C 2.150 179.561 177.584 -0.290 0.000 1.238 313 A CA 1.119 53.027 52.037 -0.215 0.000 0.613 313 A CB -0.950 17.950 19.000 -0.167 0.000 0.904 313 A HN 0.365 nan 8.150 nan 0.000 0.457 314 V N 0.265 119.889 119.914 -0.483 0.000 2.759 314 V HA -0.071 4.049 4.120 -0.001 0.000 0.256 314 V C 2.210 178.021 176.094 -0.471 0.000 1.080 314 V CA 1.612 63.574 62.300 -0.563 0.000 1.101 314 V CB -0.704 30.477 31.823 -1.069 0.000 0.698 314 V HN 0.615 nan 8.190 nan 0.000 0.477 315 G N -0.470 108.042 108.800 -0.480 0.000 3.371 315 G HA2 0.374 4.334 3.960 -0.001 0.000 0.248 315 G HA3 0.374 4.334 3.960 -0.001 0.000 0.248 315 G C 0.780 175.554 174.900 -0.210 0.000 1.161 315 G CA 0.576 45.484 45.100 -0.320 0.000 0.796 315 G HN 0.592 nan 8.290 nan 0.000 0.539 316 G N 0.141 108.827 108.800 -0.191 0.000 4.867 316 G HA2 0.265 4.225 3.960 -0.001 0.000 0.258 316 G HA3 0.265 4.225 3.960 -0.001 0.000 0.258 316 G C 0.234 175.060 174.900 -0.123 0.000 0.999 316 G CA -0.211 44.800 45.100 -0.148 0.000 0.797 316 G HN 0.206 nan 8.290 nan 0.000 0.505 317 N N 0.009 118.658 118.700 -0.084 0.000 2.740 317 N HA -0.204 4.536 4.740 -0.001 0.000 0.248 317 N C -0.523 174.958 175.510 -0.048 0.000 1.062 317 N CA 1.096 54.124 53.050 -0.036 0.000 0.704 317 N CB -1.221 37.216 38.487 -0.083 0.000 0.968 317 N HN 0.312 nan 8.380 nan 0.000 0.547 318 S N -0.705 114.952 115.700 -0.072 0.000 2.540 318 S HA 0.574 5.043 4.470 -0.001 0.000 0.275 318 S C -0.368 174.167 174.600 -0.109 0.000 1.123 318 S CA -0.671 57.499 58.200 -0.050 0.000 0.907 318 S CB 1.917 65.082 63.200 -0.057 0.000 1.081 318 S HN 0.228 nan 8.310 nan 0.000 0.476 319 S N 1.469 117.127 115.700 -0.069 0.000 2.632 319 S HA 0.570 5.039 4.470 -0.001 0.000 0.267 319 S C -0.656 173.878 174.600 -0.111 0.000 1.276 319 S CA -0.524 57.564 58.200 -0.187 0.000 0.998 319 S CB 0.524 63.556 63.200 -0.280 0.000 0.953 319 S HN 0.538 nan 8.310 nan 0.000 0.547 320 L N 2.778 123.860 121.223 -0.235 0.000 2.343 320 L HA 0.610 4.949 4.340 -0.001 0.000 0.278 320 L C -1.360 175.272 176.870 -0.396 0.000 0.996 320 L CA -0.635 54.089 54.840 -0.194 0.000 0.831 320 L CB 1.273 43.265 42.059 -0.112 0.000 1.232 320 L HN 0.533 nan 8.230 nan 0.000 0.413 321 L N 6.197 127.279 121.223 -0.235 0.000 2.262 321 L HA 0.586 4.926 4.340 -0.001 0.000 0.288 321 L C -1.387 175.497 176.870 0.024 0.000 1.035 321 L CA -0.255 54.455 54.840 -0.217 0.000 0.820 321 L CB 1.243 43.328 42.059 0.042 0.000 1.204 321 L HN 0.697 nan 8.230 nan 0.000 0.424 322 L N 5.385 126.619 121.223 0.018 0.000 2.298 322 L HA 0.534 4.873 4.340 -0.001 0.000 0.284 322 L C -0.535 176.407 176.870 0.119 0.000 1.013 322 L CA -0.173 54.701 54.840 0.057 0.000 0.824 322 L CB 1.253 43.324 42.059 0.019 0.000 1.221 322 L HN 0.761 nan 8.230 nan 0.000 0.418 323 N N 4.565 123.333 118.700 0.114 0.000 2.488 323 N HA 0.530 5.270 4.740 -0.001 0.000 0.274 323 N C -1.315 174.172 175.510 -0.038 0.000 1.111 323 N CA -0.053 53.064 53.050 0.112 0.000 0.974 323 N CB 0.606 39.147 38.487 0.089 0.000 1.089 323 N HN 0.528 nan 8.380 nan 0.000 0.465 324 I N 5.130 125.690 120.570 -0.018 0.000 2.468 324 I HA 0.353 4.522 4.170 -0.001 0.000 0.284 324 I C -2.350 173.694 176.117 -0.122 0.000 1.038 324 I CA -1.787 59.465 61.300 -0.080 0.000 1.083 324 I CB 2.142 40.101 38.000 -0.067 0.000 1.223 324 I HN 0.474 nan 8.210 nan 0.000 0.443 325 P HA 0.398 nan 4.420 nan 0.000 0.297 325 P C -2.749 174.483 177.300 -0.114 0.000 1.331 325 P CA -1.991 61.049 63.100 -0.101 0.000 0.803 325 P CB 0.858 32.523 31.700 -0.059 0.000 0.929 326 P HA 0.015 nan 4.420 nan 0.000 0.269 326 P C 0.577 177.761 177.300 -0.193 0.000 1.215 326 P CA 0.262 63.086 63.100 -0.461 0.000 0.780 326 P CB 0.308 31.342 31.700 -1.111 0.000 0.898 327 S N 2.636 118.065 115.700 -0.452 0.000 2.624 327 S HA 0.275 4.745 4.470 -0.001 0.000 0.263 327 S C -1.710 172.746 174.600 -0.239 0.000 1.287 327 S CA -0.930 56.735 58.200 -0.891 0.000 0.990 327 S CB -0.159 62.388 63.200 -1.088 0.000 0.950 327 S HN 0.238 nan 8.310 nan 0.000 0.561 328 P HA -0.051 nan 4.420 nan 0.000 0.222 328 P C 1.215 178.499 177.300 -0.027 0.000 1.147 328 P CA 1.054 64.116 63.100 -0.063 0.000 0.790 328 P CB 0.003 31.663 31.700 -0.067 0.000 0.780 329 E N -0.318 119.848 120.200 -0.057 0.000 2.208 329 E HA -0.050 4.299 4.350 -0.001 0.000 0.193 329 E C 0.880 177.510 176.600 0.051 0.000 0.988 329 E CA 0.971 57.364 56.400 -0.013 0.000 0.828 329 E CB -0.450 29.232 29.700 -0.030 0.000 0.763 329 E HN 0.170 nan 8.360 nan 0.000 0.478 330 G N 0.397 109.249 108.800 0.087 0.000 2.151 330 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.156 330 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.156 330 G C -0.334 174.727 174.900 0.269 0.000 1.017 330 G CA 0.083 45.274 45.100 0.152 0.000 0.686 330 G HN 0.161 nan 8.290 nan 0.000 0.503 331 L N -0.010 121.290 121.223 0.128 0.000 2.371 331 L HA 0.623 4.963 4.340 -0.001 0.000 0.262 331 L C 0.754 177.579 176.870 -0.073 0.000 1.006 331 L CA -1.312 53.636 54.840 0.179 0.000 0.818 331 L CB 1.931 44.040 42.059 0.085 0.000 1.354 331 L HN -0.025 nan 8.230 nan 0.000 0.415 332 L N 1.916 123.090 121.223 -0.081 0.000 2.453 332 L HA 0.296 4.636 4.340 -0.001 0.000 0.272 332 L C 0.695 177.536 176.870 -0.048 0.000 1.182 332 L CA -0.171 54.581 54.840 -0.146 0.000 0.858 332 L CB 1.001 42.996 42.059 -0.106 0.000 1.120 332 L HN 0.726 nan 8.230 nan 0.000 0.474 333 A N 2.998 125.804 122.820 -0.023 0.000 2.366 333 A HA 0.114 4.434 4.320 -0.001 0.000 0.249 333 A C 1.137 178.741 177.584 0.033 0.000 1.084 333 A CA -0.241 51.819 52.037 0.039 0.000 0.794 333 A CB 0.286 19.395 19.000 0.181 0.000 1.034 333 A HN 0.922 nan 8.150 nan 0.000 0.491 334 E N 0.799 121.020 120.200 0.035 0.000 2.070 334 E HA -0.180 4.169 4.350 -0.001 0.000 0.197 334 E C -0.725 175.884 176.600 0.016 0.000 1.004 334 E CA 1.963 58.377 56.400 0.023 0.000 0.805 334 E CB -0.878 28.835 29.700 0.022 0.000 0.744 334 E HN 0.590 nan 8.360 nan 0.000 0.451 335 P HA -0.120 nan 4.420 nan 0.000 0.216 335 P C 0.362 177.660 177.300 -0.004 0.000 1.153 335 P CA 1.342 64.444 63.100 0.004 0.000 0.848 335 P CB 0.034 31.736 31.700 0.003 0.000 0.787 336 D N -0.762 119.639 120.400 0.001 0.000 2.097 336 D HA -0.124 4.516 4.640 -0.001 0.000 0.195 336 D C 1.982 178.274 176.300 -0.014 0.000 0.989 336 D CA 0.916 54.908 54.000 -0.013 0.000 0.827 336 D CB -1.199 39.593 40.800 -0.014 0.000 0.966 336 D HN -0.066 nan 8.370 nan 0.000 0.456 337 V N 0.471 120.381 119.914 -0.005 0.000 2.332 337 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 337 V C 2.430 178.519 176.094 -0.009 0.000 1.055 337 V CA 1.693 63.992 62.300 -0.003 0.000 1.038 337 V CB -0.521 31.307 31.823 0.008 0.000 0.651 337 V HN 0.139 nan 8.190 nan 0.000 0.450 338 Q N 0.336 120.130 119.800 -0.010 0.000 2.084 338 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 338 Q C 2.338 178.322 176.000 -0.026 0.000 0.978 338 Q CA 2.317 58.109 55.803 -0.017 0.000 0.844 338 Q CB -0.526 28.203 28.738 -0.014 0.000 0.898 338 Q HN 0.598 nan 8.270 nan 0.000 0.426 339 S N 0.090 115.775 115.700 -0.025 0.000 2.368 339 S HA -0.109 4.360 4.470 -0.001 0.000 0.225 339 S C 1.821 176.400 174.600 -0.035 0.000 1.030 339 S CA 1.267 59.450 58.200 -0.030 0.000 0.999 339 S CB -0.382 62.801 63.200 -0.027 0.000 0.844 339 S HN 0.384 nan 8.310 nan 0.000 0.459 340 L N 1.340 122.545 121.223 -0.029 0.000 2.012 340 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 340 L C 2.620 179.463 176.870 -0.045 0.000 1.073 340 L CA 1.431 56.253 54.840 -0.030 0.000 0.748 340 L CB -0.442 41.607 42.059 -0.017 0.000 0.891 340 L HN 0.298 nan 8.230 nan 0.000 0.431 341 K N 0.103 120.479 120.400 -0.040 0.000 2.057 341 K HA -0.162 4.158 4.320 -0.001 0.000 0.207 341 K C 2.000 178.554 176.600 -0.077 0.000 1.049 341 K CA 1.539 57.797 56.287 -0.049 0.000 0.931 341 K CB -0.294 32.185 32.500 -0.035 0.000 0.714 341 K HN 0.341 nan 8.250 nan 0.000 0.440 342 G N 1.581 110.334 108.800 -0.079 0.000 2.408 342 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 342 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 342 G C 1.413 176.217 174.900 -0.160 0.000 1.150 342 G CA 0.706 45.741 45.100 -0.109 0.000 0.776 342 G HN 0.322 nan 8.290 nan 0.000 0.542 343 L N 1.682 122.829 121.223 -0.127 0.000 1.989 343 L HA 0.110 4.449 4.340 -0.001 0.000 0.211 343 L C 2.717 179.445 176.870 -0.236 0.000 1.071 343 L CA 2.625 57.374 54.840 -0.151 0.000 0.749 343 L CB -1.100 40.915 42.059 -0.074 0.000 0.890 343 L HN 0.138 nan 8.230 nan 0.000 0.431 344 G N -0.788 107.907 108.800 -0.175 0.000 2.422 344 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.218 344 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.218 344 G C 1.807 176.585 174.900 -0.203 0.000 1.146 344 G CA 0.794 45.788 45.100 -0.176 0.000 0.769 344 G HN 0.491 nan 8.290 nan 0.000 0.547 345 R N 0.280 120.662 120.500 -0.198 0.000 2.075 345 R HA 0.022 4.361 4.340 -0.001 0.000 0.232 345 R C 2.678 178.805 176.300 -0.288 0.000 1.126 345 R CA 1.050 57.034 56.100 -0.194 0.000 0.963 345 R CB -0.237 29.969 30.300 -0.156 0.000 0.858 345 R HN 0.271 nan 8.270 nan 0.000 0.435 346 R N -0.168 120.058 120.500 -0.457 0.000 2.075 346 R HA -0.053 4.286 4.340 -0.001 0.000 0.232 346 R C 2.292 178.123 176.300 -0.781 0.000 1.126 346 R CA 1.409 57.019 56.100 -0.816 0.000 0.963 346 R CB -0.249 29.208 30.300 -1.404 0.000 0.858 346 R HN 0.079 nan 8.270 nan 0.000 0.435 347 V N 0.933 120.483 119.914 -0.606 0.000 2.407 347 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 347 V C 2.387 178.382 176.094 -0.165 0.000 1.055 347 V CA 2.178 64.206 62.300 -0.454 0.000 1.049 347 V CB -0.389 31.002 31.823 -0.720 0.000 0.662 347 V HN 0.490 nan 8.190 nan 0.000 0.455 348 S N -0.247 115.356 115.700 -0.161 0.000 2.406 348 S HA -0.169 4.300 4.470 -0.001 0.000 0.228 348 S C 1.771 176.345 174.600 -0.043 0.000 1.020 348 S CA 1.260 59.416 58.200 -0.073 0.000 0.965 348 S CB -0.398 62.756 63.200 -0.078 0.000 0.798 348 S HN 0.690 nan 8.310 nan 0.000 0.488 349 E N 0.376 120.534 120.200 -0.070 0.000 2.153 349 E HA -0.053 4.296 4.350 -0.001 0.000 0.194 349 E C 1.655 178.282 176.600 0.044 0.000 0.988 349 E CA 1.201 57.579 56.400 -0.038 0.000 0.811 349 E CB -0.289 29.363 29.700 -0.080 0.000 0.746 349 E HN 0.653 nan 8.360 nan 0.000 0.466 350 F N 1.804 121.721 119.950 -0.055 0.000 2.146 350 F HA -0.091 4.436 4.527 -0.001 0.000 0.298 350 F C 2.021 177.858 175.800 0.061 0.000 1.096 350 F CA 1.397 59.432 58.000 0.059 0.000 1.275 350 F CB 0.106 39.223 39.000 0.195 0.000 1.008 350 F HN -0.205 nan 8.300 nan 0.000 0.480 351 R N -0.018 120.471 120.500 -0.017 0.000 2.090 351 R HA -0.113 4.226 4.340 -0.001 0.000 0.228 351 R C 2.174 178.408 176.300 -0.111 0.000 1.110 351 R CA 1.353 57.391 56.100 -0.103 0.000 0.973 351 R CB -0.651 29.671 30.300 0.036 0.000 0.869 351 R HN 0.392 nan 8.270 nan 0.000 0.440 352 E N 0.990 121.150 120.200 -0.067 0.000 2.110 352 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 352 E C 1.808 178.364 176.600 -0.074 0.000 0.988 352 E CA 1.089 57.454 56.400 -0.057 0.000 0.804 352 E CB 0.049 29.726 29.700 -0.040 0.000 0.745 352 E HN 0.374 nan 8.360 nan 0.000 0.458 353 A N 0.378 123.141 122.820 -0.095 0.000 2.067 353 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 353 A C 1.913 179.412 177.584 -0.142 0.000 1.156 353 A CA 0.433 52.413 52.037 -0.095 0.000 0.683 353 A CB -0.170 18.790 19.000 -0.067 0.000 0.808 353 A HN 0.311 nan 8.150 nan 0.000 0.455 354 L N -1.268 119.817 121.223 -0.229 0.000 2.478 354 L HA 0.223 4.563 4.340 -0.001 0.000 0.223 354 L C 2.134 178.924 176.870 -0.133 0.000 1.140 354 L CA 1.378 56.072 54.840 -0.242 0.000 0.842 354 L CB -0.245 41.581 42.059 -0.388 0.000 0.953 354 L HN 0.316 nan 8.230 nan 0.000 0.452 355 A N -2.681 120.080 122.820 -0.100 0.000 2.108 355 A HA 0.125 4.444 4.320 -0.001 0.000 0.206 355 A C 2.110 179.664 177.584 -0.049 0.000 1.212 355 A CA 0.657 52.657 52.037 -0.062 0.000 0.843 355 A CB -0.173 18.798 19.000 -0.047 0.000 0.902 355 A HN 0.287 nan 8.150 nan 0.000 0.477 356 S N -0.222 115.447 115.700 -0.052 0.000 2.547 356 S HA 0.003 4.473 4.470 -0.001 0.000 0.235 356 S C 0.761 175.339 174.600 -0.036 0.000 0.980 356 S CA 0.443 58.620 58.200 -0.039 0.000 0.941 356 S CB -0.481 62.697 63.200 -0.036 0.000 0.763 356 S HN 0.346 nan 8.310 nan 0.000 0.532 357 V N 2.731 122.618 119.914 -0.045 0.000 2.521 357 V HA 0.284 4.403 4.120 -0.001 0.000 0.286 357 V C -0.135 175.940 176.094 -0.031 0.000 1.034 357 V CA -0.196 62.081 62.300 -0.039 0.000 1.045 357 V CB 0.576 32.369 31.823 -0.050 0.000 0.974 357 V HN 0.119 nan 8.190 nan 0.000 0.480 358 R N 4.974 125.460 120.500 -0.024 0.000 2.246 358 R HA 0.600 4.940 4.340 -0.001 0.000 0.332 358 R C -1.022 175.264 176.300 -0.022 0.000 0.974 358 R CA 0.005 56.093 56.100 -0.022 0.000 0.837 358 R CB 0.861 31.150 30.300 -0.018 0.000 1.145 358 R HN 0.812 nan 8.270 nan 0.000 0.467 359 C N 1.766 121.051 119.300 -0.026 0.000 2.797 359 C HA 0.463 4.922 4.460 -0.001 0.000 0.306 359 C C -0.610 174.359 174.990 -0.035 0.000 1.207 359 C CA -0.828 58.172 59.018 -0.030 0.000 1.507 359 C CB 2.155 29.875 27.740 -0.033 0.000 2.028 359 C HN 0.645 nan 8.230 nan 0.000 0.475 360 E N 1.356 121.532 120.200 -0.040 0.000 2.113 360 E HA 0.609 4.959 4.350 -0.001 0.000 0.273 360 E C -0.376 176.183 176.600 -0.068 0.000 0.924 360 E CA 0.085 56.456 56.400 -0.048 0.000 0.764 360 E CB 1.160 30.835 29.700 -0.043 0.000 1.104 360 E HN 0.797 nan 8.360 nan 0.000 0.406 361 A N 4.645 127.415 122.820 -0.082 0.000 2.289 361 A HA 0.680 5.000 4.320 -0.001 0.000 0.298 361 A C -0.229 177.265 177.584 -0.150 0.000 1.208 361 A CA -0.446 51.517 52.037 -0.123 0.000 0.845 361 A CB 0.497 19.419 19.000 -0.130 0.000 1.125 361 A HN 0.550 nan 8.150 nan 0.000 0.517 362 R N 0.763 121.154 120.500 -0.181 0.000 2.686 362 R HA 0.663 5.002 4.340 -0.001 0.000 0.286 362 R C -0.265 175.863 176.300 -0.288 0.000 0.969 362 R CA 0.067 56.054 56.100 -0.188 0.000 0.898 362 R CB 1.969 32.194 30.300 -0.125 0.000 1.183 362 R HN 0.853 nan 8.270 nan 0.000 0.456 363 T N -1.191 113.176 114.554 -0.311 0.000 2.924 363 T HA 0.263 4.612 4.350 -0.001 0.000 0.291 363 T C 0.906 175.523 174.700 -0.139 0.000 1.045 363 T CA -0.311 61.525 62.100 -0.440 0.000 1.015 363 T CB 1.703 70.047 68.868 -0.874 0.000 1.103 363 T HN 0.531 nan 8.240 nan 0.000 0.496 364 S N 0.752 116.434 115.700 -0.031 0.000 2.428 364 S HA 0.162 4.632 4.470 -0.001 0.000 0.230 364 S C 1.009 175.712 174.600 0.172 0.000 1.014 364 S CA 0.447 58.705 58.200 0.096 0.000 0.957 364 S CB -0.696 62.593 63.200 0.149 0.000 0.784 364 S HN 1.375 nan 8.310 nan 0.000 0.499 365 S N -0.886 115.007 115.700 0.321 0.000 2.752 365 S HA 0.707 5.177 4.470 -0.001 0.000 0.284 365 S C 0.066 174.913 174.600 0.413 0.000 1.189 365 S CA -0.441 57.922 58.200 0.272 0.000 0.835 365 S CB 0.715 64.033 63.200 0.196 0.000 1.192 365 S HN 1.578 nan 8.310 nan 0.000 0.506 366 A N 0.481 123.451 122.820 0.250 0.000 2.640 366 A HA -0.154 4.165 4.320 -0.001 0.000 0.300 366 A C 1.402 179.161 177.584 0.292 0.000 1.499 366 A CA 0.997 53.177 52.037 0.239 0.000 0.759 366 A CB -2.607 16.486 19.000 0.156 0.000 1.048 366 A HN 1.318 nan 8.150 nan 0.000 0.450 367 S N -0.825 114.966 115.700 0.152 0.000 2.419 367 S HA -0.042 4.428 4.470 -0.001 0.000 0.235 367 S C 2.292 176.895 174.600 0.006 0.000 1.019 367 S CA 1.657 59.886 58.200 0.049 0.000 0.982 367 S CB -0.304 62.901 63.200 0.009 0.000 0.789 367 S HN 1.648 nan 8.310 nan 0.000 0.490 368 A N 1.316 124.142 122.820 0.010 0.000 1.940 368 A HA 0.085 4.404 4.320 -0.001 0.000 0.219 368 A C 2.183 179.682 177.584 -0.142 0.000 1.176 368 A CA 1.614 53.626 52.037 -0.043 0.000 0.631 368 A CB -0.754 18.229 19.000 -0.027 0.000 0.814 368 A HN 0.536 nan 8.150 nan 0.000 0.446 369 A N -0.822 121.928 122.820 -0.116 0.000 2.238 369 A HA 0.494 4.813 4.320 -0.001 0.000 0.208 369 A C 2.111 179.584 177.584 -0.185 0.000 1.177 369 A CA 1.091 52.903 52.037 -0.375 0.000 0.804 369 A CB -0.627 18.316 19.000 -0.096 0.000 0.823 369 A HN 0.907 nan 8.150 nan 0.000 0.482 370 A N 0.108 122.879 122.820 -0.082 0.000 2.019 370 A HA 0.144 4.463 4.320 -0.001 0.000 0.219 370 A C 2.333 179.851 177.584 -0.110 0.000 1.164 370 A CA 1.671 53.607 52.037 -0.167 0.000 0.644 370 A CB -0.665 18.206 19.000 -0.216 0.000 0.805 370 A HN 0.988 nan 8.150 nan 0.000 0.449 371 A N -0.612 122.138 122.820 -0.116 0.000 2.019 371 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 371 A C 1.741 179.390 177.584 0.107 0.000 1.164 371 A CA 1.451 53.478 52.037 -0.017 0.000 0.644 371 A CB -1.033 17.971 19.000 0.006 0.000 0.805 371 A HN 0.792 nan 8.150 nan 0.000 0.449 372 H N -0.730 118.363 119.070 0.037 0.000 2.545 372 H HA 0.062 4.618 4.556 -0.001 0.000 0.282 372 H C 1.449 176.818 175.328 0.068 0.000 1.020 372 H CA 0.530 56.605 56.048 0.045 0.000 1.243 372 H CB -0.110 29.678 29.762 0.043 0.000 1.377 372 H HN 0.398 nan 8.280 nan 0.000 0.581 373 L N 0.633 121.952 121.223 0.159 0.000 2.478 373 L HA -0.030 4.309 4.340 -0.001 0.000 0.223 373 L C 1.241 178.144 176.870 0.055 0.000 1.140 373 L CA 0.399 55.298 54.840 0.100 0.000 0.842 373 L CB 0.453 42.525 42.059 0.021 0.000 0.953 373 L HN 0.266 nan 8.230 nan 0.000 0.452 374 V N -5.414 114.531 119.914 0.050 0.000 3.355 374 V HA 0.180 4.300 4.120 -0.001 0.000 0.330 374 V C 0.557 176.668 176.094 0.028 0.000 1.479 374 V CA -0.039 62.275 62.300 0.023 0.000 1.150 374 V CB 0.083 31.907 31.823 0.000 0.000 1.044 374 V HN 0.263 nan 8.190 nan 0.000 0.501 375 D N 0.969 121.398 120.400 0.048 0.000 2.340 375 D HA 0.228 4.867 4.640 -0.001 0.000 0.220 375 D C 1.712 178.025 176.300 0.022 0.000 1.039 375 D CA 0.615 54.637 54.000 0.037 0.000 0.866 375 D CB 0.154 40.984 40.800 0.051 0.000 0.913 375 D HN 1.003 nan 8.370 nan 0.000 0.523 376 G N 0.554 109.367 108.800 0.022 0.000 2.168 376 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.257 376 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.257 376 G C -0.022 174.888 174.900 0.017 0.000 0.997 376 G CA 0.185 45.295 45.100 0.016 0.000 0.708 376 G HN 0.580 nan 8.290 nan 0.000 0.520 377 N N 0.244 118.955 118.700 0.018 0.000 2.469 377 N HA 0.297 5.037 4.740 -0.001 0.000 0.253 377 N C 1.666 177.195 175.510 0.030 0.000 0.970 377 N CA -0.590 52.467 53.050 0.012 0.000 0.940 377 N CB 0.523 39.000 38.487 -0.017 0.000 1.128 377 N HN 0.517 nan 8.380 nan 0.000 0.503 378 R N 1.772 122.296 120.500 0.040 0.000 2.328 378 R HA 0.038 4.377 4.340 -0.001 0.000 0.207 378 R C -0.508 175.847 176.300 0.092 0.000 1.056 378 R CA 0.832 56.968 56.100 0.060 0.000 1.016 378 R CB 0.173 30.506 30.300 0.055 0.000 0.872 378 R HN 0.295 nan 8.270 nan 0.000 0.471 379 D N 1.461 121.903 120.400 0.070 0.000 2.350 379 D HA -0.011 4.629 4.640 -0.001 0.000 0.213 379 D C 0.299 176.650 176.300 0.085 0.000 1.031 379 D CA 0.850 54.908 54.000 0.097 0.000 0.861 379 D CB 0.690 41.520 40.800 0.050 0.000 0.926 379 D HN 0.385 nan 8.370 nan 0.000 0.520 380 T N -0.892 113.659 114.554 -0.006 0.000 2.888 380 T HA 0.623 4.972 4.350 -0.001 0.000 0.284 380 T C -0.298 174.421 174.700 0.030 0.000 1.017 380 T CA -0.892 61.068 62.100 -0.233 0.000 1.022 380 T CB 1.561 70.121 68.868 -0.512 0.000 1.013 380 T HN -0.007 nan 8.240 nan 0.000 0.465 381 F N -0.980 119.040 119.950 0.117 0.000 2.662 381 F HA 0.781 5.308 4.527 -0.001 0.000 0.312 381 F C -1.490 174.533 175.800 0.372 0.000 1.113 381 F CA -2.328 55.812 58.000 0.234 0.000 0.951 381 F CB 0.888 39.974 39.000 0.143 0.000 1.344 381 F HN 0.830 nan 8.300 nan 0.000 0.462 382 W N 3.779 125.307 121.300 0.380 0.000 2.417 382 W HA 0.717 5.376 4.660 -0.001 0.000 0.317 382 W C -0.941 175.763 176.519 0.309 0.000 1.121 382 W CA -0.996 56.486 57.345 0.229 0.000 1.208 382 W CB 1.163 30.680 29.460 0.095 0.000 1.253 382 W HN 0.828 nan 8.180 nan 0.000 0.533 383 R N 8.323 128.463 120.500 -0.599 0.000 2.538 383 R HA 0.439 4.779 4.340 -0.001 0.000 0.292 383 R C -2.609 173.054 176.300 -1.061 0.000 1.008 383 R CA -1.828 53.848 56.100 -0.706 0.000 0.896 383 R CB 2.082 32.309 30.300 -0.123 0.000 1.187 383 R HN 0.278 nan 8.270 nan 0.000 0.440 384 P HA 0.087 nan 4.420 nan 0.000 0.274 384 P C -0.905 176.237 177.300 -0.264 0.000 1.237 384 P CA -0.255 62.467 63.100 -0.630 0.000 0.793 384 P CB 0.692 32.156 31.700 -0.395 0.000 0.977 385 D N 0.242 120.581 120.400 -0.101 0.000 2.400 385 D HA 0.074 4.713 4.640 -0.001 0.000 0.238 385 D C 1.534 177.808 176.300 -0.042 0.000 1.157 385 D CA 0.056 54.026 54.000 -0.050 0.000 0.889 385 D CB 0.391 41.190 40.800 -0.001 0.000 1.199 385 D HN 0.339 nan 8.370 nan 0.000 0.436 386 A N 2.090 124.891 122.820 -0.031 0.000 1.978 386 A HA -0.213 4.107 4.320 -0.001 0.000 0.220 386 A C 1.314 178.897 177.584 -0.002 0.000 1.170 386 A CA 1.795 53.820 52.037 -0.019 0.000 0.636 386 A CB -0.271 18.721 19.000 -0.013 0.000 0.810 386 A HN 0.630 nan 8.150 nan 0.000 0.448 387 D N -0.736 119.668 120.400 0.006 0.000 2.325 387 D HA 0.034 4.673 4.640 -0.001 0.000 0.225 387 D C -0.200 176.117 176.300 0.028 0.000 1.096 387 D CA -0.180 53.829 54.000 0.016 0.000 0.844 387 D CB -0.357 40.453 40.800 0.016 0.000 0.925 387 D HN 0.203 nan 8.370 nan 0.000 0.513 388 D N 0.728 121.147 120.400 0.032 0.000 2.352 388 D HA 0.270 4.909 4.640 -0.001 0.000 0.245 388 D C 0.876 177.211 176.300 0.059 0.000 1.224 388 D CA -0.231 53.803 54.000 0.057 0.000 0.879 388 D CB 1.231 42.077 40.800 0.076 0.000 1.057 388 D HN 0.117 nan 8.370 nan 0.000 0.491 389 A N 3.254 126.110 122.820 0.059 0.000 2.169 389 A HA 0.334 4.653 4.320 -0.001 0.000 0.212 389 A C 1.053 178.681 177.584 0.074 0.000 1.153 389 A CA 0.672 52.743 52.037 0.057 0.000 0.756 389 A CB 0.306 19.333 19.000 0.045 0.000 0.813 389 A HN 0.548 nan 8.150 nan 0.000 0.471 390 A N 0.512 123.390 122.820 0.097 0.000 3.266 390 A HA 0.595 4.914 4.320 -0.001 0.000 0.310 390 A C -3.034 174.651 177.584 0.169 0.000 1.066 390 A CA -1.193 50.919 52.037 0.126 0.000 0.839 390 A CB 0.140 19.211 19.000 0.118 0.000 1.192 390 A HN 0.105 nan 8.150 nan 0.000 0.496 391 P HA 0.414 nan 4.420 nan 0.000 0.267 391 P C -0.094 177.375 177.300 0.281 0.000 1.205 391 P CA 0.525 63.800 63.100 0.291 0.000 0.765 391 P CB 1.244 33.096 31.700 0.252 0.000 0.828 392 A N 3.592 126.555 122.820 0.240 0.000 2.604 392 A HA 0.703 5.023 4.320 -0.001 0.000 0.295 392 A C -1.334 176.116 177.584 -0.222 0.000 1.067 392 A CA -0.558 51.478 52.037 -0.001 0.000 0.683 392 A CB 1.054 20.007 19.000 -0.080 0.000 1.281 392 A HN 0.400 nan 8.150 nan 0.000 0.407 393 I N 1.459 121.852 120.570 -0.296 0.000 2.406 393 I HA 0.422 4.591 4.170 -0.001 0.000 0.290 393 I C -0.286 175.667 176.117 -0.273 0.000 0.999 393 I CA -0.327 60.741 61.300 -0.386 0.000 1.124 393 I CB 2.339 40.121 38.000 -0.364 0.000 1.289 393 I HN 0.572 nan 8.210 nan 0.000 0.441 394 T N 7.301 121.711 114.554 -0.240 0.000 2.771 394 T HA 0.570 4.920 4.350 -0.001 0.000 0.281 394 T C -0.232 174.385 174.700 -0.138 0.000 0.982 394 T CA -0.432 61.567 62.100 -0.169 0.000 0.978 394 T CB 0.852 69.641 68.868 -0.131 0.000 0.930 394 T HN 0.276 nan 8.240 nan 0.000 0.447 395 L N 4.264 125.426 121.223 -0.103 0.000 2.298 395 L HA 0.473 4.812 4.340 -0.001 0.000 0.284 395 L C 0.648 177.487 176.870 -0.052 0.000 1.013 395 L CA -0.895 53.900 54.840 -0.076 0.000 0.824 395 L CB 1.248 43.272 42.059 -0.058 0.000 1.221 395 L HN 0.686 nan 8.230 nan 0.000 0.418 396 T N 0.819 115.344 114.554 -0.049 0.000 2.829 396 T HA 0.641 4.990 4.350 -0.001 0.000 0.282 396 T C -0.317 174.368 174.700 -0.025 0.000 0.990 396 T CA -0.843 61.236 62.100 -0.034 0.000 1.028 396 T CB 1.735 70.582 68.868 -0.034 0.000 0.951 396 T HN 0.047 nan 8.240 nan 0.000 0.460 397 L N 4.487 125.700 121.223 -0.016 0.000 2.325 397 L HA 0.424 4.764 4.340 -0.001 0.000 0.279 397 L C -1.305 175.559 176.870 -0.011 0.000 1.054 397 L CA -2.687 52.146 54.840 -0.011 0.000 0.804 397 L CB 0.736 42.793 42.059 -0.002 0.000 1.200 397 L HN 0.436 nan 8.230 nan 0.000 0.436 398 P HA -0.145 nan 4.420 nan 0.000 0.218 398 P C -0.747 176.549 177.300 -0.007 0.000 1.146 398 P CA 1.158 64.253 63.100 -0.010 0.000 0.813 398 P CB 0.391 32.085 31.700 -0.010 0.000 0.778 399 Q N -4.716 115.081 119.800 -0.004 0.000 2.687 399 Q HA 0.465 4.804 4.340 -0.001 0.000 0.295 399 Q C -3.167 172.834 176.000 0.002 0.000 0.920 399 Q CA -2.399 53.403 55.803 -0.002 0.000 0.766 399 Q CB -0.808 27.929 28.738 -0.001 0.000 1.467 399 Q HN -0.339 nan 8.270 nan 0.000 0.415 400 P HA 0.064 nan 4.420 nan 0.000 0.258 400 P C -0.956 176.351 177.300 0.012 0.000 1.172 400 P CA 0.604 63.709 63.100 0.008 0.000 0.762 400 P CB 0.266 31.971 31.700 0.008 0.000 0.764 401 T N 1.621 116.186 114.554 0.018 0.000 2.906 401 T HA 0.417 4.766 4.350 -0.001 0.000 0.295 401 T C -0.298 174.424 174.700 0.036 0.000 1.061 401 T CA -0.684 61.429 62.100 0.022 0.000 1.000 401 T CB 1.259 70.138 68.868 0.018 0.000 1.103 401 T HN 0.063 nan 8.240 nan 0.000 0.486 402 T N 3.029 117.606 114.554 0.039 0.000 2.780 402 T HA 0.618 4.968 4.350 -0.001 0.000 0.294 402 T C 0.258 174.998 174.700 0.067 0.000 0.949 402 T CA -0.470 61.663 62.100 0.055 0.000 1.074 402 T CB -0.303 68.594 68.868 0.047 0.000 0.910 402 T HN 0.609 nan 8.240 nan 0.000 0.501 403 I N 0.698 121.332 120.570 0.106 0.000 2.934 403 I HA 0.720 4.889 4.170 -0.001 0.000 0.306 403 I C -0.106 176.092 176.117 0.135 0.000 1.110 403 I CA -1.148 60.221 61.300 0.115 0.000 1.019 403 I CB 2.338 40.433 38.000 0.157 0.000 1.227 403 I HN 0.462 nan 8.210 nan 0.000 0.434 404 N N 2.508 121.174 118.700 -0.058 0.000 2.116 404 N HA 0.585 5.324 4.740 -0.001 0.000 0.230 404 N C -0.638 174.280 175.510 -0.986 0.000 1.326 404 N CA 0.058 52.894 53.050 -0.358 0.000 0.867 404 N CB 1.304 39.702 38.487 -0.148 0.000 1.174 404 N HN 0.966 nan 8.380 nan 0.000 0.506 405 A N 0.127 122.534 122.820 -0.689 0.000 2.612 405 A HA 0.728 5.047 4.320 -0.001 0.000 0.293 405 A C -1.678 175.826 177.584 -0.133 0.000 1.075 405 A CA -0.840 50.853 52.037 -0.573 0.000 0.680 405 A CB 0.931 19.803 19.000 -0.213 0.000 1.279 405 A HN 0.346 nan 8.150 nan 0.000 0.411 406 I N -1.509 119.065 120.570 0.007 0.000 2.646 406 I HA 0.840 5.010 4.170 -0.001 0.000 0.299 406 I C -0.864 175.289 176.117 0.059 0.000 1.036 406 I CA -0.954 60.400 61.300 0.089 0.000 1.074 406 I CB 1.899 39.992 38.000 0.155 0.000 1.258 406 I HN 0.283 nan 8.210 nan 0.000 0.430 407 V N 6.359 126.303 119.914 0.050 0.000 2.459 407 V HA 0.609 4.728 4.120 -0.001 0.000 0.295 407 V C -0.308 175.794 176.094 0.013 0.000 1.029 407 V CA -0.492 61.833 62.300 0.042 0.000 0.874 407 V CB 1.524 33.378 31.823 0.050 0.000 0.985 407 V HN 0.803 nan 8.190 nan 0.000 0.438 408 I N 3.500 124.067 120.570 -0.005 0.000 2.656 408 I HA 0.597 4.766 4.170 -0.001 0.000 0.292 408 I C -1.071 175.023 176.117 -0.038 0.000 1.144 408 I CA -0.228 61.067 61.300 -0.008 0.000 1.038 408 I CB 2.406 40.409 38.000 0.006 0.000 1.244 408 I HN 0.704 nan 8.210 nan 0.000 0.420 409 E N 5.865 126.044 120.200 -0.035 0.000 2.256 409 E HA 0.376 4.725 4.350 -0.001 0.000 0.268 409 E C -1.459 175.130 176.600 -0.018 0.000 0.877 409 E CA -0.769 55.582 56.400 -0.081 0.000 0.757 409 E CB 2.325 31.932 29.700 -0.155 0.000 1.183 409 E HN 0.504 nan 8.360 nan 0.000 0.418 410 E N 0.905 121.097 120.200 -0.013 0.000 2.319 410 E HA 0.388 4.737 4.350 -0.001 0.000 0.268 410 E C -0.537 176.079 176.600 0.027 0.000 1.050 410 E CA -0.671 55.742 56.400 0.022 0.000 0.878 410 E CB 1.214 30.936 29.700 0.037 0.000 1.066 410 E HN 0.517 nan 8.360 nan 0.000 0.406 411 A N 3.215 126.039 122.820 0.006 0.000 2.981 411 A HA 0.088 4.407 4.320 -0.001 0.000 0.280 411 A C 1.089 178.678 177.584 0.009 0.000 1.743 411 A CA -0.047 52.004 52.037 0.024 0.000 1.430 411 A CB -1.308 17.670 19.000 -0.038 0.000 1.085 411 A HN 0.682 nan 8.150 nan 0.000 0.597 412 I N -1.107 119.495 120.570 0.053 0.000 2.700 412 I HA -0.160 4.009 4.170 -0.001 0.000 0.261 412 I C 1.619 177.639 176.117 -0.161 0.000 1.219 412 I CA 1.641 62.983 61.300 0.070 0.000 1.463 412 I CB -0.220 37.949 38.000 0.280 0.000 1.092 412 I HN 0.651 nan 8.210 nan 0.000 0.452 413 E N 1.246 121.312 120.200 -0.223 0.000 2.209 413 E HA -0.246 4.104 4.350 -0.001 0.000 0.196 413 E C 1.462 177.746 176.600 -0.525 0.000 0.993 413 E CA 1.248 57.397 56.400 -0.418 0.000 0.819 413 E CB -0.052 29.369 29.700 -0.465 0.000 0.745 413 E HN 0.694 nan 8.360 nan 0.000 0.477 414 H N -0.941 118.036 119.070 -0.156 0.000 2.549 414 H HA 0.323 4.879 4.556 -0.001 0.000 0.279 414 H C 0.810 176.068 175.328 -0.116 0.000 1.018 414 H CA 0.637 56.595 56.048 -0.150 0.000 1.175 414 H CB 0.955 30.600 29.762 -0.194 0.000 1.485 414 H HN 0.267 nan 8.280 nan 0.000 0.543 415 G N 0.882 109.663 108.800 -0.032 0.000 2.408 415 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.682 415 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.682 415 G C -1.275 173.802 174.900 0.295 0.000 1.303 415 G CA -0.900 44.279 45.100 0.132 0.000 0.966 415 G HN 0.274 nan 8.290 nan 0.000 0.560 416 Q N -0.557 119.511 119.800 0.447 0.000 2.330 416 Q HA 0.764 5.103 4.340 -0.001 0.000 0.269 416 Q C 0.701 176.932 176.000 0.384 0.000 1.022 416 Q CA -0.839 55.193 55.803 0.382 0.000 0.796 416 Q CB 1.225 30.200 28.738 0.396 0.000 1.271 416 Q HN 0.616 nan 8.270 nan 0.000 0.450 417 R N 2.831 123.485 120.500 0.256 0.000 2.551 417 R HA 0.341 4.680 4.340 -0.001 0.000 0.202 417 R C 0.179 176.626 176.300 0.245 0.000 0.861 417 R CA -0.274 55.979 56.100 0.256 0.000 1.018 417 R CB 0.594 30.975 30.300 0.135 0.000 1.435 417 R HN 0.569 nan 8.270 nan 0.000 0.659 418 I N 2.231 122.872 120.570 0.119 0.000 2.683 418 I HA -0.104 4.065 4.170 -0.001 0.000 0.286 418 I C 0.875 177.050 176.117 0.098 0.000 1.175 418 I CA 1.017 62.369 61.300 0.087 0.000 1.429 418 I CB 0.719 38.734 38.000 0.025 0.000 1.371 418 I HN 0.283 nan 8.210 nan 0.000 0.569 419 E N 3.200 123.511 120.200 0.184 0.000 2.421 419 E HA 0.132 4.481 4.350 -0.001 0.000 0.209 419 E C -0.005 176.733 176.600 0.229 0.000 0.871 419 E CA 0.099 56.657 56.400 0.263 0.000 1.064 419 E CB 0.771 30.676 29.700 0.343 0.000 1.075 419 E HN 0.484 nan 8.360 nan 0.000 0.513 420 H N 0.162 119.285 119.070 0.088 0.000 2.947 420 H HA 0.353 4.908 4.556 -0.001 0.000 0.354 420 H C -1.933 173.436 175.328 0.068 0.000 1.085 420 H CA -0.734 55.355 56.048 0.068 0.000 1.253 420 H CB 1.835 31.639 29.762 0.070 0.000 1.757 420 H HN -0.005 nan 8.280 nan 0.000 0.523 421 L N 5.264 126.258 121.223 -0.382 0.000 2.362 421 L HA 0.524 4.864 4.340 -0.001 0.000 0.275 421 L C -0.991 175.751 176.870 -0.214 0.000 0.998 421 L CA -0.496 54.248 54.840 -0.160 0.000 0.820 421 L CB 1.497 43.493 42.059 -0.105 0.000 1.270 421 L HN 0.656 nan 8.230 nan 0.000 0.415 422 R N 4.318 124.836 120.500 0.030 0.000 2.439 422 R HA 0.765 5.105 4.340 -0.001 0.000 0.310 422 R C -1.918 174.479 176.300 0.162 0.000 0.955 422 R CA -0.617 55.538 56.100 0.092 0.000 0.853 422 R CB 1.746 32.145 30.300 0.165 0.000 1.171 422 R HN 0.566 nan 8.270 nan 0.000 0.449 423 V N 3.853 123.814 119.914 0.079 0.000 2.398 423 V HA 0.432 4.551 4.120 -0.001 0.000 0.286 423 V C -0.157 175.947 176.094 0.017 0.000 1.026 423 V CA -0.467 61.865 62.300 0.054 0.000 0.868 423 V CB 1.829 33.659 31.823 0.011 0.000 0.982 423 V HN 0.836 nan 8.190 nan 0.000 0.443 424 T N 3.114 117.708 114.554 0.066 0.000 2.912 424 T HA 0.737 5.087 4.350 -0.001 0.000 0.288 424 T C 0.158 174.844 174.700 -0.024 0.000 1.030 424 T CA -0.482 61.639 62.100 0.036 0.000 1.020 424 T CB 1.889 70.863 68.868 0.177 0.000 1.056 424 T HN 0.948 nan 8.240 nan 0.000 0.480 425 G N 0.384 109.152 108.800 -0.054 0.000 2.513 425 G HA2 0.622 4.581 3.960 -0.001 0.000 0.317 425 G HA3 0.622 4.581 3.960 -0.001 0.000 0.317 425 G C -0.904 173.982 174.900 -0.024 0.000 1.277 425 G CA -0.827 44.244 45.100 -0.048 0.000 0.955 425 G HN 0.920 nan 8.290 nan 0.000 0.484 426 A N 2.911 125.724 122.820 -0.012 0.000 2.279 426 A HA 0.632 4.951 4.320 -0.001 0.000 0.306 426 A C 0.483 178.064 177.584 -0.006 0.000 1.300 426 A CA -0.450 51.583 52.037 -0.007 0.000 0.925 426 A CB -0.018 18.979 19.000 -0.004 0.000 1.152 426 A HN 0.671 nan 8.150 nan 0.000 0.544 427 L N 3.498 124.717 121.223 -0.006 0.000 2.452 427 L HA 0.190 4.530 4.340 -0.001 0.000 0.267 427 L C -1.347 175.523 176.870 -0.000 0.000 1.188 427 L CA -1.661 53.178 54.840 -0.003 0.000 0.821 427 L CB 0.514 42.571 42.059 -0.004 0.000 1.102 427 L HN 0.455 nan 8.230 nan 0.000 0.470 428 P HA -0.154 nan 4.420 nan 0.000 0.218 428 P C 0.024 177.325 177.300 0.001 0.000 1.149 428 P CA 0.984 64.085 63.100 0.002 0.000 0.817 428 P CB -0.021 31.682 31.700 0.004 0.000 0.785 429 D N -0.575 119.826 120.400 0.001 0.000 2.416 429 D HA 0.195 4.834 4.640 -0.001 0.000 0.240 429 D C 1.641 177.941 176.300 -0.001 0.000 1.250 429 D CA 0.318 54.319 54.000 0.001 0.000 0.967 429 D CB -0.596 40.205 40.800 0.001 0.000 1.059 429 D HN 0.048 nan 8.370 nan 0.000 0.512 430 G N 3.975 112.774 108.800 -0.000 0.000 3.348 430 G HA2 -0.476 3.484 3.960 -0.001 0.000 0.392 430 G HA3 -0.476 3.484 3.960 -0.001 0.000 0.392 430 G C 0.977 175.876 174.900 -0.001 0.000 2.142 430 G CA 1.853 46.952 45.100 -0.001 0.000 2.434 430 G HN 0.844 nan 8.290 nan 0.000 0.934 431 T N -0.353 114.200 114.554 -0.002 0.000 2.680 431 T HA 0.440 4.789 4.350 -0.001 0.000 0.314 431 T C 0.110 174.807 174.700 -0.005 0.000 1.045 431 T CA 0.797 62.895 62.100 -0.004 0.000 1.025 431 T CB 1.121 69.986 68.868 -0.005 0.000 1.000 431 T HN 1.178 nan 8.240 nan 0.000 0.535 432 E N -0.491 119.705 120.200 -0.007 0.000 2.356 432 E HA 0.615 4.965 4.350 -0.001 0.000 0.275 432 E C -0.776 175.813 176.600 -0.017 0.000 0.904 432 E CA -1.398 54.997 56.400 -0.010 0.000 0.757 432 E CB 1.872 31.573 29.700 0.002 0.000 1.232 432 E HN 0.962 nan 8.360 nan 0.000 0.442 433 R N 0.256 120.738 120.500 -0.030 0.000 2.855 433 R HA 0.617 4.956 4.340 -0.001 0.000 0.266 433 R C -1.255 175.008 176.300 -0.061 0.000 1.034 433 R CA -1.043 55.033 56.100 -0.041 0.000 0.944 433 R CB 1.300 31.574 30.300 -0.044 0.000 1.219 433 R HN 0.300 nan 8.270 nan 0.000 0.474 434 V N 3.008 122.885 119.914 -0.061 0.000 2.508 434 V HA 0.062 4.182 4.120 -0.001 0.000 0.281 434 V C 1.304 177.310 176.094 -0.146 0.000 1.041 434 V CA -0.083 62.171 62.300 -0.076 0.000 1.016 434 V CB 0.893 32.689 31.823 -0.044 0.000 0.984 434 V HN 0.665 nan 8.190 nan 0.000 0.478 435 L N 3.974 125.044 121.223 -0.254 0.000 2.298 435 L HA 0.452 4.792 4.340 -0.001 0.000 0.209 435 L C 1.068 177.699 176.870 -0.397 0.000 1.084 435 L CA 0.951 55.472 54.840 -0.531 0.000 0.816 435 L CB -0.003 41.426 42.059 -1.049 0.000 0.967 435 L HN 0.842 nan 8.230 nan 0.000 0.460 436 G N -0.818 107.871 108.800 -0.186 0.000 2.338 436 G HA2 0.384 4.343 3.960 -0.001 0.000 0.295 436 G HA3 0.384 4.343 3.960 -0.001 0.000 0.295 436 G C -1.899 173.001 174.900 0.000 0.000 1.461 436 G CA -0.627 44.461 45.100 -0.021 0.000 0.817 436 G HN -0.069 nan 8.290 nan 0.000 0.556 437 Q N -1.136 118.669 119.800 0.008 0.000 2.451 437 Q HA 0.795 5.135 4.340 -0.001 0.000 0.281 437 Q C -0.546 175.398 176.000 -0.093 0.000 1.099 437 Q CA -0.924 54.843 55.803 -0.059 0.000 0.806 437 Q CB 2.732 31.470 28.738 -0.000 0.000 1.419 437 Q HN 1.242 nan 8.270 nan 0.000 0.427 438 A N -0.171 122.514 122.820 -0.224 0.000 2.594 438 A HA 0.843 5.162 4.320 -0.001 0.000 0.291 438 A C -0.204 177.233 177.584 -0.245 0.000 1.105 438 A CA 0.022 51.958 52.037 -0.169 0.000 0.694 438 A CB 1.334 20.267 19.000 -0.112 0.000 1.291 438 A HN 0.768 nan 8.150 nan 0.000 0.410 439 G N -0.492 108.234 108.800 -0.123 0.000 2.548 439 G HA2 0.421 4.381 3.960 -0.001 0.000 0.221 439 G HA3 0.421 4.381 3.960 -0.001 0.000 0.221 439 G C 0.737 175.556 174.900 -0.136 0.000 1.796 439 G CA 0.941 46.004 45.100 -0.062 0.000 0.889 439 G HN 1.416 nan 8.290 nan 0.000 0.599 440 T N -1.221 113.179 114.554 -0.257 0.000 2.868 440 T HA 0.465 4.814 4.350 -0.001 0.000 0.292 440 T C 0.799 175.331 174.700 -0.280 0.000 1.028 440 T CA -0.135 61.700 62.100 -0.440 0.000 1.059 440 T CB 1.936 70.331 68.868 -0.788 0.000 0.991 440 T HN 0.037 nan 8.240 nan 0.000 0.531 441 V N 1.125 120.886 119.914 -0.253 0.000 3.134 441 V HA 0.470 4.589 4.120 -0.001 0.000 0.222 441 V C 2.023 178.044 176.094 -0.121 0.000 1.247 441 V CA 0.932 63.144 62.300 -0.147 0.000 1.281 441 V CB -1.088 30.687 31.823 -0.080 0.000 1.169 441 V HN 1.453 nan 8.190 nan 0.000 0.512 442 G N 0.067 108.812 108.800 -0.092 0.000 2.596 442 G HA2 -0.464 3.495 3.960 -0.001 0.000 0.295 442 G HA3 -0.464 3.495 3.960 -0.001 0.000 0.295 442 G C 0.638 175.593 174.900 0.092 0.000 1.240 442 G CA 1.339 46.452 45.100 0.020 0.000 0.985 442 G HN 0.522 nan 8.290 nan 0.000 0.555 443 Y N 2.206 122.524 120.300 0.029 0.000 2.128 443 Y HA 0.111 4.661 4.550 -0.001 0.000 0.284 443 Y C 1.681 177.574 175.900 -0.011 0.000 1.154 443 Y CA 2.801 60.920 58.100 0.032 0.000 1.149 443 Y CB 0.080 38.557 38.460 0.029 0.000 0.976 443 Y HN 0.749 nan 8.280 nan 0.000 0.505 444 R N 0.092 120.571 120.500 -0.036 0.000 2.579 444 R HA 0.355 4.694 4.340 -0.001 0.000 0.260 444 R C -2.065 174.180 176.300 -0.092 0.000 1.103 444 R CA -0.904 55.115 56.100 -0.135 0.000 0.942 444 R CB 1.160 31.349 30.300 -0.185 0.000 1.251 444 R HN 0.072 nan 8.270 nan 0.000 0.450 445 R N 4.990 125.436 120.500 -0.090 0.000 2.393 445 R HA 0.457 4.797 4.340 -0.001 0.000 0.315 445 R C -1.292 174.966 176.300 -0.069 0.000 0.952 445 R CA -0.383 55.663 56.100 -0.090 0.000 0.842 445 R CB 0.959 31.210 30.300 -0.081 0.000 1.163 445 R HN 0.589 nan 8.270 nan 0.000 0.450 446 I N 5.894 126.407 120.570 -0.094 0.000 2.306 446 I HA 0.244 4.413 4.170 -0.001 0.000 0.288 446 I C -0.690 175.381 176.117 -0.077 0.000 1.036 446 I CA -1.055 60.206 61.300 -0.065 0.000 1.221 446 I CB 1.298 39.230 38.000 -0.112 0.000 1.385 446 I HN 0.407 nan 8.210 nan 0.000 0.472 447 L N 8.403 129.606 121.223 -0.034 0.000 2.261 447 L HA 0.428 4.767 4.340 -0.001 0.000 0.289 447 L C -0.029 176.794 176.870 -0.077 0.000 1.059 447 L CA 0.031 54.869 54.840 -0.004 0.000 0.816 447 L CB 0.228 42.337 42.059 0.083 0.000 1.191 447 L HN 0.464 nan 8.230 nan 0.000 0.431 448 R N 5.330 125.764 120.500 -0.110 0.000 2.540 448 R HA 0.768 5.107 4.340 -0.001 0.000 0.287 448 R C -1.137 175.093 176.300 -0.117 0.000 0.980 448 R CA -0.422 55.521 56.100 -0.262 0.000 0.966 448 R CB 1.385 31.575 30.300 -0.183 0.000 1.106 448 R HN 0.620 nan 8.270 nan 0.000 0.480 449 F N -2.345 117.607 119.950 0.003 0.000 2.779 449 F HA 0.357 4.883 4.527 -0.001 0.000 0.316 449 F C -1.020 174.787 175.800 0.012 0.000 1.164 449 F CA -1.763 56.240 58.000 0.005 0.000 0.924 449 F CB 0.354 39.359 39.000 0.007 0.000 1.348 449 F HN 0.186 nan 8.300 nan 0.000 0.467 450 D N 1.361 121.953 120.400 0.319 0.000 2.472 450 D HA 0.092 4.732 4.640 -0.001 0.000 0.237 450 D C -0.655 175.792 176.300 0.245 0.000 1.141 450 D CA 0.464 54.582 54.000 0.195 0.000 0.875 450 D CB 0.354 41.235 40.800 0.135 0.000 1.192 450 D HN 0.419 nan 8.370 nan 0.000 0.450 451 D N 0.565 121.046 120.400 0.135 0.000 2.531 451 D HA 0.126 4.766 4.640 -0.001 0.000 0.239 451 D C -0.230 176.153 176.300 0.139 0.000 1.144 451 D CA 0.469 54.542 54.000 0.123 0.000 0.869 451 D CB 0.532 41.374 40.800 0.071 0.000 1.160 451 D HN -0.078 nan 8.370 nan 0.000 0.484 452 V N 1.732 121.743 119.914 0.161 0.000 2.971 452 V HA 0.294 4.413 4.120 -0.001 0.000 0.309 452 V C -0.173 175.976 176.094 0.091 0.000 1.130 452 V CA -1.048 61.321 62.300 0.115 0.000 0.964 452 V CB 2.274 34.160 31.823 0.105 0.000 1.029 452 V HN 0.439 nan 8.190 nan 0.000 0.427 453 E N 2.220 122.454 120.200 0.056 0.000 2.134 453 E HA 0.672 5.021 4.350 -0.001 0.000 0.278 453 E C -0.993 175.626 176.600 0.032 0.000 0.959 453 E CA -0.416 56.010 56.400 0.043 0.000 0.783 453 E CB 1.699 31.418 29.700 0.030 0.000 1.095 453 E HN 0.698 nan 8.360 nan 0.000 0.399 454 V N 1.191 121.124 119.914 0.032 0.000 3.130 454 V HA 0.493 4.613 4.120 -0.001 0.000 0.310 454 V C 0.415 176.518 176.094 0.014 0.000 1.158 454 V CA -0.075 62.236 62.300 0.019 0.000 1.029 454 V CB 1.573 33.408 31.823 0.020 0.000 1.057 454 V HN 0.697 nan 8.190 nan 0.000 0.436 455 S N -0.086 115.618 115.700 0.006 0.000 2.502 455 S HA 0.416 4.885 4.470 -0.001 0.000 0.215 455 S C 0.686 175.283 174.600 -0.004 0.000 1.009 455 S CA 0.464 58.665 58.200 0.001 0.000 0.908 455 S CB -0.262 62.937 63.200 -0.002 0.000 0.801 455 S HN 2.145 nan 8.310 nan 0.000 0.505 456 S N 0.110 115.807 115.700 -0.005 0.000 2.587 456 S HA 0.683 5.152 4.470 -0.001 0.000 0.269 456 S C -1.143 173.449 174.600 -0.013 0.000 1.154 456 S CA -0.305 57.888 58.200 -0.013 0.000 0.824 456 S CB 1.233 64.419 63.200 -0.023 0.000 1.118 456 S HN 1.207 nan 8.310 nan 0.000 0.462 457 V N -1.259 118.642 119.914 -0.023 0.000 2.876 457 V HA 0.941 5.060 4.120 -0.001 0.000 0.312 457 V C -0.750 175.303 176.094 -0.069 0.000 1.085 457 V CA -0.470 61.813 62.300 -0.029 0.000 0.945 457 V CB 1.482 33.306 31.823 0.001 0.000 1.017 457 V HN 1.034 nan 8.190 nan 0.000 0.428 458 T N 5.343 119.840 114.554 -0.095 0.000 2.824 458 T HA 0.651 5.000 4.350 -0.001 0.000 0.282 458 T C -0.436 174.093 174.700 -0.285 0.000 0.993 458 T CA -0.371 61.587 62.100 -0.237 0.000 0.967 458 T CB 1.218 69.882 68.868 -0.341 0.000 0.960 458 T HN 0.714 nan 8.240 nan 0.000 0.441 459 L N 4.214 125.270 121.223 -0.279 0.000 2.262 459 L HA 0.453 4.793 4.340 -0.001 0.000 0.288 459 L C -0.355 176.389 176.870 -0.211 0.000 1.035 459 L CA -0.829 53.915 54.840 -0.160 0.000 0.820 459 L CB 0.109 42.127 42.059 -0.068 0.000 1.204 459 L HN 0.676 nan 8.230 nan 0.000 0.424 460 H N 1.996 121.088 119.070 0.036 0.000 2.594 460 H HA 0.250 4.806 4.556 -0.001 0.000 0.304 460 H C -0.225 175.156 175.328 0.089 0.000 1.068 460 H CA -0.515 55.572 56.048 0.066 0.000 1.308 460 H CB 1.488 31.288 29.762 0.063 0.000 1.409 460 H HN 0.276 nan 8.280 nan 0.000 0.460 461 V N 4.271 124.309 119.914 0.207 0.000 2.276 461 V HA -0.033 4.086 4.120 -0.001 0.000 0.249 461 V C 0.474 176.682 176.094 0.190 0.000 1.160 461 V CA -0.100 62.309 62.300 0.181 0.000 1.042 461 V CB 0.246 32.177 31.823 0.179 0.000 1.224 461 V HN 0.861 nan 8.190 nan 0.000 0.496 462 D N 3.225 123.757 120.400 0.219 0.000 2.219 462 D HA 0.048 4.687 4.640 -0.001 0.000 0.205 462 D C 1.108 177.503 176.300 0.159 0.000 0.970 462 D CA 1.303 55.422 54.000 0.198 0.000 0.851 462 D CB 0.466 41.422 40.800 0.258 0.000 0.943 462 D HN 0.655 nan 8.370 nan 0.000 0.488 463 G N -1.185 107.727 108.800 0.186 0.000 2.667 463 G HA2 0.505 4.464 3.960 -0.001 0.000 0.298 463 G HA3 0.505 4.464 3.960 -0.001 0.000 0.298 463 G C -1.333 173.663 174.900 0.160 0.000 1.377 463 G CA -0.343 44.852 45.100 0.158 0.000 0.964 463 G HN -0.001 nan 8.290 nan 0.000 0.493 464 S N -0.066 115.717 115.700 0.139 0.000 2.558 464 S HA 0.413 4.882 4.470 -0.001 0.000 0.277 464 S C -0.935 173.739 174.600 0.123 0.000 1.143 464 S CA -0.778 57.507 58.200 0.141 0.000 0.865 464 S CB 1.157 64.420 63.200 0.104 0.000 1.102 464 S HN 0.657 nan 8.310 nan 0.000 0.454 465 R N 3.741 124.328 120.500 0.146 0.000 2.325 465 R HA 0.553 4.893 4.340 -0.001 0.000 0.323 465 R C 0.140 176.486 176.300 0.076 0.000 1.177 465 R CA -0.070 56.095 56.100 0.108 0.000 1.018 465 R CB -0.570 29.806 30.300 0.127 0.000 1.070 465 R HN 0.666 nan 8.270 nan 0.000 0.495 466 L N -0.184 121.070 121.223 0.051 0.000 3.132 466 L HA -0.303 4.036 4.340 -0.001 0.000 0.337 466 L C 0.094 176.971 176.870 0.012 0.000 1.073 466 L CA 0.558 55.414 54.840 0.026 0.000 1.228 466 L CB -0.929 41.141 42.059 0.019 0.000 1.124 466 L HN 0.664 nan 8.230 nan 0.000 0.475 467 A N 2.007 124.814 122.820 -0.021 0.000 2.450 467 A HA 0.612 4.931 4.320 -0.001 0.000 0.255 467 A C -1.789 175.749 177.584 -0.077 0.000 1.096 467 A CA -0.721 51.279 52.037 -0.061 0.000 0.778 467 A CB -0.100 18.841 19.000 -0.099 0.000 1.031 467 A HN 0.459 nan 8.150 nan 0.000 0.494 471 S N 4.218 120.049 115.700 0.219 0.000 2.503 471 S HA 0.296 4.766 4.470 -0.001 0.000 0.215 471 S C 0.572 175.259 174.600 0.144 0.000 1.003 471 S CA -0.012 58.325 58.200 0.229 0.000 0.910 471 S CB 0.443 63.751 63.200 0.181 0.000 0.790 471 S HN 0.721 nan 8.310 nan 0.000 0.514 472 R N -0.141 120.418 120.500 0.097 0.000 2.629 472 R HA 0.645 4.984 4.340 -0.001 0.000 0.266 472 R C -2.254 174.067 176.300 0.035 0.000 1.051 472 R CA -0.141 55.991 56.100 0.053 0.000 0.895 472 R CB 1.474 31.782 30.300 0.014 0.000 1.246 472 R HN 0.248 nan 8.270 nan 0.000 0.459 473 A N 1.976 124.805 122.820 0.016 0.000 2.520 473 A HA 0.924 5.243 4.320 -0.001 0.000 0.298 473 A C -1.659 175.915 177.584 -0.015 0.000 1.051 473 A CA -0.062 51.974 52.037 -0.001 0.000 0.690 473 A CB 2.015 21.007 19.000 -0.014 0.000 1.281 473 A HN 1.051 nan 8.150 nan 0.000 0.402 474 A N 0.212 123.026 122.820 -0.010 0.000 2.605 474 A HA 0.896 5.215 4.320 -0.001 0.000 0.294 474 A C -0.655 176.932 177.584 0.005 0.000 1.062 474 A CA 0.117 52.144 52.037 -0.016 0.000 0.682 474 A CB 0.893 19.873 19.000 -0.034 0.000 1.278 474 A HN 2.550 nan 8.150 nan 0.000 0.410 475 A N 0.678 123.502 122.820 0.007 0.000 2.331 475 A HA 0.874 5.194 4.320 -0.001 0.000 0.320 475 A C -0.146 177.448 177.584 0.017 0.000 1.138 475 A CA 0.005 52.066 52.037 0.040 0.000 0.790 475 A CB 0.811 19.846 19.000 0.060 0.000 1.206 475 A HN 2.391 nan 8.150 nan 0.000 0.470 476 V N -0.151 119.774 119.914 0.020 0.000 3.206 476 V HA 0.780 4.899 4.120 -0.001 0.000 0.305 476 V C -0.585 175.523 176.094 0.022 0.000 1.257 476 V CA -1.149 61.152 62.300 0.002 0.000 1.057 476 V CB 1.770 33.562 31.823 -0.052 0.000 1.075 476 V HN 1.035 nan 8.190 nan 0.000 0.443 477 R N 1.218 121.737 120.500 0.032 0.000 2.295 477 R HA 0.763 5.103 4.340 -0.001 0.000 0.324 477 R C -0.821 175.543 176.300 0.106 0.000 0.968 477 R CA -0.596 55.533 56.100 0.048 0.000 0.837 477 R CB 1.132 31.456 30.300 0.040 0.000 1.133 477 R HN 0.838 nan 8.270 nan 0.000 0.450 478 I N 0.000 120.656 120.570 0.143 0.000 2.984 478 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 478 I CA 0.000 61.446 61.300 0.243 0.000 1.566 478 I CB 0.000 38.157 38.000 0.261 0.000 1.214 478 I HN 0.000 nan 8.210 nan 0.000 0.494