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 1jv1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNINDLKLTL SKAGQEHLLR FWNELEEAQQ VELYAELQAM NFEELNFFFQ DATA SEQUENCE KAIEGFXXXX XXXXXXXRME PVPREVLGSA TRDQDQLQAW ESEGLFQISQ DATA SEQUENCE NKVAVLLLAG GQGTRLGVAY PKGMYDVGLP SRKTLFQIQA ERILKLQQVA DATA SEQUENCE EKYYGNKCII PWYIMTSGRT MESTKEFFTK HKYFGLKKEN VIFFQQGMLP DATA SEQUENCE AMSFDGKIIL EEKNKVSMAP DGNGGLYRAL AAQNIVEDME QRGIWSIHVY DATA SEQUENCE CVDNILVKVA DPRFIGFCIQ KGADCGAKVV EKTNPTEPVG VVCRVDGVYQ DATA SEQUENCE VVEYSEISLA TAQKRSSDGR LLFNAGNIAN HFFTVPFLRD VVNVYEPQLQ DATA SEQUENCE HHVAQKKIPY VDTQGQLIKP DKPNGIKMEK FVFDIFQFAK KFVVYEVLRE DATA SEQUENCE DEFSPLKNAD SQNGKDNPTT ARHALMSLHH CWVLNAGGHF IDENGSRLPA DATA SEQUENCE IPRLKDANDV PIQCEISPLI SYAGEGLESY VADKEFHAPL IIDENGVHEL DATA SEQUENCE V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.369 176.300 0.116 0.000 1.140 1 M CA 0.000 55.351 55.300 0.085 0.000 0.988 1 M CB 0.000 32.666 32.600 0.109 0.000 1.302 2 N N 1.557 120.319 118.700 0.104 0.000 3.343 2 N HA 0.496 5.237 4.740 0.002 0.000 0.330 2 N C 0.449 176.034 175.510 0.126 0.000 1.560 2 N CA -0.892 52.200 53.050 0.071 0.000 0.752 2 N CB 1.517 40.006 38.487 0.003 0.000 1.863 2 N HN 0.422 nan 8.380 nan 0.000 0.636 3 I N 1.128 121.709 120.570 0.019 0.000 2.454 3 I HA -0.191 3.980 4.170 0.002 0.000 0.254 3 I C 1.580 177.619 176.117 -0.130 0.000 1.156 3 I CA 1.226 62.469 61.300 -0.094 0.000 1.433 3 I CB -0.791 37.031 38.000 -0.297 0.000 1.082 3 I HN 0.443 nan 8.210 nan 0.000 0.432 4 N N 0.848 119.501 118.700 -0.078 0.000 2.142 4 N HA -0.159 4.582 4.740 0.002 0.000 0.186 4 N C 1.446 176.916 175.510 -0.067 0.000 1.023 4 N CA 1.702 54.705 53.050 -0.078 0.000 0.852 4 N CB -0.481 37.977 38.487 -0.048 0.000 0.998 4 N HN 0.445 nan 8.380 nan 0.000 0.424 5 D N 0.891 121.270 120.400 -0.034 0.000 2.144 5 D HA -0.108 4.533 4.640 0.002 0.000 0.200 5 D C 2.101 178.366 176.300 -0.057 0.000 0.978 5 D CA 0.390 54.372 54.000 -0.030 0.000 0.833 5 D CB -0.245 40.556 40.800 0.002 0.000 0.961 5 D HN 0.134 nan 8.370 nan 0.000 0.470 6 L N 1.500 122.685 121.223 -0.063 0.000 2.027 6 L HA -0.149 4.192 4.340 0.002 0.000 0.206 6 L C 2.167 178.929 176.870 -0.181 0.000 1.074 6 L CA 1.783 56.546 54.840 -0.128 0.000 0.745 6 L CB -0.546 41.415 42.059 -0.163 0.000 0.898 6 L HN -0.213 nan 8.230 nan 0.000 0.433 7 K N -0.544 119.743 120.400 -0.188 0.000 2.044 7 K HA -0.242 4.080 4.320 0.002 0.000 0.210 7 K C 2.050 178.551 176.600 -0.164 0.000 1.049 7 K CA 2.110 58.277 56.287 -0.200 0.000 0.927 7 K CB -0.718 31.670 32.500 -0.187 0.000 0.713 7 K HN 0.333 nan 8.250 nan 0.000 0.443 8 L N 0.606 121.754 121.223 -0.124 0.000 2.046 8 L HA -0.127 4.214 4.340 0.002 0.000 0.208 8 L C 1.931 178.735 176.870 -0.110 0.000 1.077 8 L CA 2.121 56.901 54.840 -0.100 0.000 0.747 8 L CB -1.056 40.961 42.059 -0.070 0.000 0.896 8 L HN 0.283 nan 8.230 nan 0.000 0.432 9 T N -0.119 114.365 114.554 -0.116 0.000 2.720 9 T HA -0.187 4.164 4.350 0.002 0.000 0.268 9 T C 1.964 176.535 174.700 -0.215 0.000 1.037 9 T CA 1.915 63.947 62.100 -0.114 0.000 1.144 9 T CB -0.310 68.512 68.868 -0.076 0.000 0.864 9 T HN 0.286 nan 8.240 nan 0.000 0.444 10 L N 0.454 121.479 121.223 -0.331 0.000 2.027 10 L HA -0.077 4.264 4.340 0.002 0.000 0.206 10 L C 2.892 179.589 176.870 -0.287 0.000 1.074 10 L CA 1.075 55.622 54.840 -0.487 0.000 0.745 10 L CB -0.618 41.149 42.059 -0.487 0.000 0.898 10 L HN 0.257 nan 8.230 nan 0.000 0.433 11 S N -0.096 115.486 115.700 -0.196 0.000 2.368 11 S HA -0.194 4.278 4.470 0.002 0.000 0.225 11 S C 1.949 176.491 174.600 -0.097 0.000 1.030 11 S CA 1.398 59.521 58.200 -0.127 0.000 0.999 11 S CB -0.047 63.092 63.200 -0.103 0.000 0.844 11 S HN 0.305 nan 8.310 nan 0.000 0.459 12 K N 0.517 120.862 120.400 -0.092 0.000 2.283 12 K HA 0.076 4.398 4.320 0.002 0.000 0.202 12 K C 1.663 178.235 176.600 -0.048 0.000 1.048 12 K CA 0.973 57.225 56.287 -0.058 0.000 0.948 12 K CB -0.138 32.336 32.500 -0.045 0.000 0.742 12 K HN 0.391 nan 8.250 nan 0.000 0.458 13 A N 0.232 123.008 122.820 -0.074 0.000 2.345 13 A HA 0.278 4.600 4.320 0.002 0.000 0.225 13 A C 1.144 178.701 177.584 -0.045 0.000 1.243 13 A CA 0.462 52.476 52.037 -0.038 0.000 0.875 13 A CB -0.060 18.929 19.000 -0.019 0.000 0.929 13 A HN 0.324 nan 8.150 nan 0.000 0.502 14 G N -0.654 108.109 108.800 -0.061 0.000 2.176 14 G HA2 -0.221 3.740 3.960 0.002 0.000 0.252 14 G HA3 -0.221 3.740 3.960 0.002 0.000 0.252 14 G C 0.206 175.101 174.900 -0.009 0.000 1.024 14 G CA 0.463 45.538 45.100 -0.043 0.000 0.755 14 G HN 0.470 nan 8.290 nan 0.000 0.507 15 Q N -0.427 119.337 119.800 -0.059 0.000 2.115 15 Q HA 0.154 4.495 4.340 0.002 0.000 0.249 15 Q C 1.679 177.562 176.000 -0.195 0.000 0.830 15 Q CA 0.513 56.291 55.803 -0.041 0.000 1.104 15 Q CB 0.337 28.940 28.738 -0.225 0.000 1.207 15 Q HN 0.939 nan 8.270 nan 0.000 0.464 16 E N 0.515 120.661 120.200 -0.090 0.000 2.268 16 E HA -0.209 4.143 4.350 0.002 0.000 0.195 16 E C 1.350 177.861 176.600 -0.147 0.000 0.995 16 E CA 1.095 57.406 56.400 -0.149 0.000 0.836 16 E CB -0.298 29.340 29.700 -0.103 0.000 0.763 16 E HN 0.416 nan 8.360 nan 0.000 0.491 17 H N 1.356 120.356 119.070 -0.117 0.000 2.518 17 H HA -0.027 4.530 4.556 0.002 0.000 0.289 17 H C 1.815 177.103 175.328 -0.067 0.000 1.051 17 H CA 0.733 56.720 56.048 -0.102 0.000 1.280 17 H CB -0.518 29.190 29.762 -0.090 0.000 1.380 17 H HN 0.269 nan 8.280 nan 0.000 0.566 18 L N 0.418 121.220 121.223 -0.702 0.000 2.362 18 L HA -0.040 4.301 4.340 0.002 0.000 0.219 18 L C 1.777 178.588 176.870 -0.099 0.000 1.134 18 L CA 0.605 55.215 54.840 -0.384 0.000 0.807 18 L CB -0.085 41.763 42.059 -0.352 0.000 0.927 18 L HN 0.235 nan 8.230 nan 0.000 0.447 19 L N -0.316 120.843 121.223 -0.106 0.000 2.769 19 L HA 0.102 4.443 4.340 0.002 0.000 0.240 19 L C 2.297 179.196 176.870 0.049 0.000 1.163 19 L CA -0.131 54.723 54.840 0.024 0.000 0.962 19 L CB -0.107 41.892 42.059 -0.102 0.000 1.258 19 L HN 0.259 nan 8.230 nan 0.000 0.513 20 R N 0.140 120.593 120.500 -0.079 0.000 2.159 20 R HA -0.144 4.197 4.340 0.002 0.000 0.237 20 R C 1.031 177.187 176.300 -0.240 0.000 1.131 20 R CA 1.710 57.675 56.100 -0.225 0.000 0.982 20 R CB -0.452 29.585 30.300 -0.439 0.000 0.868 20 R HN 0.249 nan 8.270 nan 0.000 0.453 21 F N -0.719 119.304 119.950 0.121 0.000 2.664 21 F HA 0.170 4.698 4.527 0.002 0.000 0.303 21 F C 1.927 177.806 175.800 0.132 0.000 1.092 21 F CA -0.970 57.091 58.000 0.102 0.000 1.305 21 F CB -0.102 38.938 39.000 0.065 0.000 1.054 21 F HN 0.076 nan 8.300 nan 0.000 0.565 22 W N 2.142 123.525 121.300 0.138 0.000 2.290 22 W HA -0.313 4.348 4.660 0.002 0.000 0.318 22 W C 1.204 177.768 176.519 0.075 0.000 1.248 22 W CA 1.997 59.397 57.345 0.092 0.000 1.263 22 W CB -0.336 29.155 29.460 0.051 0.000 1.147 22 W HN 0.043 nan 8.180 nan 0.000 0.494 23 N N 0.583 119.406 118.700 0.205 0.000 2.512 23 N HA -0.118 4.623 4.740 0.002 0.000 0.183 23 N C 1.130 176.644 175.510 0.007 0.000 1.073 23 N CA 1.377 54.473 53.050 0.076 0.000 0.911 23 N CB -0.434 38.129 38.487 0.126 0.000 0.964 23 N HN 0.483 nan 8.380 nan 0.000 0.447 24 E N -0.273 119.951 120.200 0.041 0.000 2.472 24 E HA 0.156 4.507 4.350 0.002 0.000 0.196 24 E C 0.066 176.642 176.600 -0.041 0.000 1.033 24 E CA -0.136 56.281 56.400 0.027 0.000 0.886 24 E CB 0.522 30.286 29.700 0.106 0.000 0.944 24 E HN 0.237 nan 8.360 nan 0.000 0.492 25 L N 2.091 123.249 121.223 -0.108 0.000 2.417 25 L HA 0.153 4.494 4.340 0.002 0.000 0.268 25 L C 0.627 177.382 176.870 -0.191 0.000 1.158 25 L CA -0.237 54.505 54.840 -0.165 0.000 0.819 25 L CB 0.595 42.500 42.059 -0.257 0.000 1.112 25 L HN 0.025 nan 8.230 nan 0.000 0.458 26 E N 1.269 121.380 120.200 -0.149 0.000 2.408 26 E HA -0.020 4.331 4.350 0.002 0.000 0.259 26 E C 0.575 177.071 176.600 -0.174 0.000 1.110 26 E CA -0.252 56.069 56.400 -0.131 0.000 0.929 26 E CB 0.756 30.400 29.700 -0.093 0.000 0.971 26 E HN 0.537 nan 8.360 nan 0.000 0.438 27 E N 1.229 121.340 120.200 -0.148 0.000 2.097 27 E HA -0.282 4.069 4.350 0.002 0.000 0.196 27 E C 1.897 178.418 176.600 -0.131 0.000 1.000 27 E CA 1.319 57.625 56.400 -0.157 0.000 0.804 27 E CB -0.155 29.483 29.700 -0.103 0.000 0.740 27 E HN 0.601 nan 8.360 nan 0.000 0.454 28 A N 1.249 124.015 122.820 -0.091 0.000 1.972 28 A HA -0.243 4.078 4.320 0.002 0.000 0.219 28 A C 2.036 179.584 177.584 -0.060 0.000 1.169 28 A CA 1.366 53.367 52.037 -0.060 0.000 0.635 28 A CB -0.352 18.622 19.000 -0.043 0.000 0.810 28 A HN 0.198 nan 8.150 nan 0.000 0.446 29 Q N -0.764 118.983 119.800 -0.089 0.000 2.172 29 Q HA -0.165 4.177 4.340 0.002 0.000 0.200 29 Q C 2.210 178.145 176.000 -0.108 0.000 0.964 29 Q CA 1.371 57.126 55.803 -0.081 0.000 0.855 29 Q CB -0.155 28.526 28.738 -0.095 0.000 0.918 29 Q HN 0.772 nan 8.270 nan 0.000 0.444 30 Q N -0.051 119.598 119.800 -0.251 0.000 2.079 30 Q HA -0.114 4.227 4.340 0.002 0.000 0.200 30 Q C 2.247 178.244 176.000 -0.005 0.000 0.974 30 Q CA 1.261 56.803 55.803 -0.435 0.000 0.840 30 Q CB 0.024 28.191 28.738 -0.952 0.000 0.898 30 Q HN 0.195 nan 8.270 nan 0.000 0.430 31 V N 1.379 121.292 119.914 -0.001 0.000 2.287 31 V HA -0.296 3.825 4.120 0.002 0.000 0.248 31 V C 2.219 178.412 176.094 0.165 0.000 1.053 31 V CA 2.155 64.511 62.300 0.094 0.000 1.027 31 V CB -0.584 31.258 31.823 0.032 0.000 0.646 31 V HN 0.427 nan 8.190 nan 0.000 0.447 32 E N -0.180 120.081 120.200 0.103 0.000 2.031 32 E HA -0.267 4.085 4.350 0.002 0.000 0.193 32 E C 2.218 178.909 176.600 0.152 0.000 0.994 32 E CA 1.701 58.163 56.400 0.104 0.000 0.800 32 E CB -0.150 29.583 29.700 0.055 0.000 0.752 32 E HN 0.426 nan 8.360 nan 0.000 0.447 33 L N 0.401 121.734 121.223 0.184 0.000 2.056 33 L HA -0.163 4.178 4.340 0.002 0.000 0.207 33 L C 2.273 179.317 176.870 0.291 0.000 1.078 33 L CA 1.806 56.784 54.840 0.229 0.000 0.749 33 L CB -0.881 41.343 42.059 0.275 0.000 0.901 33 L HN 0.277 nan 8.230 nan 0.000 0.433 34 Y N 0.203 120.676 120.300 0.288 0.000 2.128 34 Y HA -0.302 4.250 4.550 0.002 0.000 0.284 34 Y C 2.396 178.381 175.900 0.141 0.000 1.154 34 Y CA 2.191 60.435 58.100 0.239 0.000 1.149 34 Y CB -0.572 38.065 38.460 0.295 0.000 0.976 34 Y HN 0.260 nan 8.280 nan 0.000 0.505 35 A N 0.130 123.120 122.820 0.283 0.000 1.883 35 A HA -0.277 4.044 4.320 0.002 0.000 0.217 35 A C 2.240 179.846 177.584 0.037 0.000 1.186 35 A CA 1.994 54.117 52.037 0.144 0.000 0.624 35 A CB -1.049 18.048 19.000 0.161 0.000 0.822 35 A HN 0.683 nan 8.150 nan 0.000 0.444 36 E N -0.109 120.128 120.200 0.062 0.000 2.058 36 E HA -0.186 4.165 4.350 0.002 0.000 0.194 36 E C 1.949 178.560 176.600 0.017 0.000 0.997 36 E CA 1.356 57.779 56.400 0.039 0.000 0.801 36 E CB -0.252 29.485 29.700 0.062 0.000 0.746 36 E HN 0.624 nan 8.360 nan 0.000 0.450 37 L N 0.560 121.806 121.223 0.037 0.000 2.093 37 L HA -0.180 4.162 4.340 0.002 0.000 0.208 37 L C 2.792 179.686 176.870 0.040 0.000 1.085 37 L CA 0.773 55.679 54.840 0.109 0.000 0.755 37 L CB -0.450 41.662 42.059 0.088 0.000 0.904 37 L HN 0.209 nan 8.230 nan 0.000 0.435 38 Q N 0.038 119.754 119.800 -0.139 0.000 2.226 38 Q HA -0.116 4.225 4.340 0.002 0.000 0.204 38 Q C 2.146 178.091 176.000 -0.091 0.000 0.975 38 Q CA 1.559 57.257 55.803 -0.174 0.000 0.866 38 Q CB -0.161 28.385 28.738 -0.320 0.000 0.915 38 Q HN 0.520 nan 8.270 nan 0.000 0.440 39 A N -0.669 122.102 122.820 -0.081 0.000 2.251 39 A HA 0.148 4.470 4.320 0.002 0.000 0.209 39 A C 0.851 178.348 177.584 -0.145 0.000 1.187 39 A CA -0.014 51.975 52.037 -0.081 0.000 0.823 39 A CB -0.029 18.943 19.000 -0.046 0.000 0.846 39 A HN 0.207 nan 8.150 nan 0.000 0.486 40 M N 0.185 119.633 119.600 -0.254 0.000 2.342 40 M HA 0.237 4.718 4.480 0.002 0.000 0.332 40 M C -0.126 175.803 176.300 -0.618 0.000 1.166 40 M CA -0.541 54.460 55.300 -0.499 0.000 1.086 40 M CB 0.951 33.073 32.600 -0.796 0.000 1.541 40 M HN 0.152 nan 8.290 nan 0.000 0.462 41 N N 1.741 120.133 118.700 -0.514 0.000 2.699 41 N HA 0.235 4.976 4.740 0.002 0.000 0.232 41 N C -0.260 175.023 175.510 -0.378 0.000 1.027 41 N CA -0.114 52.730 53.050 -0.344 0.000 0.920 41 N CB 0.134 38.496 38.487 -0.208 0.000 1.148 41 N HN 0.515 nan 8.380 nan 0.000 0.509 42 F N 1.021 120.935 119.950 -0.061 0.000 2.216 42 F HA -0.045 4.484 4.527 0.002 0.000 0.300 42 F C 2.026 177.796 175.800 -0.051 0.000 1.085 42 F CA 0.855 58.823 58.000 -0.053 0.000 1.326 42 F CB 0.275 39.243 39.000 -0.053 0.000 1.027 42 F HN 0.460 nan 8.300 nan 0.000 0.497 43 E N 0.199 120.443 120.200 0.073 0.000 2.047 43 E HA -0.254 4.097 4.350 0.002 0.000 0.191 43 E C 2.137 178.718 176.600 -0.032 0.000 0.987 43 E CA 1.327 57.744 56.400 0.028 0.000 0.799 43 E CB -0.269 29.427 29.700 -0.007 0.000 0.752 43 E HN 0.510 nan 8.360 nan 0.000 0.449 44 E N 1.035 121.144 120.200 -0.152 0.000 2.077 44 E HA -0.191 4.160 4.350 0.002 0.000 0.193 44 E C 2.210 178.549 176.600 -0.436 0.000 0.989 44 E CA 0.689 56.878 56.400 -0.352 0.000 0.800 44 E CB -0.020 29.400 29.700 -0.467 0.000 0.746 44 E HN 0.184 nan 8.360 nan 0.000 0.452 45 L N 0.899 121.985 121.223 -0.229 0.000 2.083 45 L HA -0.194 4.147 4.340 0.002 0.000 0.209 45 L C 2.363 179.289 176.870 0.093 0.000 1.083 45 L CA 0.934 55.745 54.840 -0.049 0.000 0.752 45 L CB -0.559 41.499 42.059 -0.002 0.000 0.899 45 L HN 0.194 nan 8.230 nan 0.000 0.433 46 N N -0.054 118.703 118.700 0.096 0.000 2.142 46 N HA -0.201 4.540 4.740 0.002 0.000 0.186 46 N C 1.697 177.331 175.510 0.208 0.000 1.023 46 N CA 1.193 54.336 53.050 0.155 0.000 0.852 46 N CB -0.366 38.195 38.487 0.122 0.000 0.998 46 N HN 0.217 nan 8.380 nan 0.000 0.424 47 F N 0.974 120.941 119.950 0.029 0.000 2.134 47 F HA -0.154 4.374 4.527 0.002 0.000 0.299 47 F C 1.871 177.804 175.800 0.222 0.000 1.097 47 F CA 1.180 59.218 58.000 0.064 0.000 1.264 47 F CB -0.296 38.683 39.000 -0.036 0.000 1.001 47 F HN -0.136 nan 8.300 nan 0.000 0.479 48 F N -0.225 119.792 119.950 0.112 0.000 2.095 48 F HA -0.186 4.343 4.527 0.002 0.000 0.298 48 F C 2.376 178.134 175.800 -0.070 0.000 1.104 48 F CA 1.141 59.155 58.000 0.023 0.000 1.232 48 F CB -1.822 37.221 39.000 0.071 0.000 0.987 48 F HN 0.113 nan 8.300 nan 0.000 0.475 49 F N 1.125 121.141 119.950 0.110 0.000 2.134 49 F HA -0.240 4.288 4.527 0.002 0.000 0.299 49 F C 2.399 178.175 175.800 -0.040 0.000 1.097 49 F CA 1.720 59.729 58.000 0.015 0.000 1.264 49 F CB -0.605 38.406 39.000 0.018 0.000 1.001 49 F HN 0.014 nan 8.300 nan 0.000 0.479 50 Q N 0.053 119.834 119.800 -0.032 0.000 2.050 50 Q HA -0.209 4.132 4.340 0.002 0.000 0.202 50 Q C 2.209 178.049 176.000 -0.265 0.000 0.980 50 Q CA 1.554 57.271 55.803 -0.143 0.000 0.840 50 Q CB -0.255 28.443 28.738 -0.067 0.000 0.898 50 Q HN 0.286 nan 8.270 nan 0.000 0.424 51 K N 0.458 120.661 120.400 -0.328 0.000 2.097 51 K HA -0.087 4.234 4.320 0.002 0.000 0.206 51 K C 2.036 178.524 176.600 -0.187 0.000 1.049 51 K CA 1.159 57.284 56.287 -0.270 0.000 0.933 51 K CB -0.367 31.945 32.500 -0.312 0.000 0.717 51 K HN 0.184 nan 8.250 nan 0.000 0.442 52 A N 1.649 124.346 122.820 -0.206 0.000 1.902 52 A HA -0.143 4.179 4.320 0.002 0.000 0.217 52 A C 2.127 179.614 177.584 -0.162 0.000 1.181 52 A CA 1.204 53.140 52.037 -0.167 0.000 0.623 52 A CB -0.365 18.512 19.000 -0.205 0.000 0.818 52 A HN 0.105 nan 8.150 nan 0.000 0.443 53 I N 0.024 120.359 120.570 -0.391 0.000 2.315 53 I HA -0.167 4.004 4.170 0.002 0.000 0.248 53 I C 2.288 178.329 176.117 -0.127 0.000 1.117 53 I CA 1.393 62.482 61.300 -0.352 0.000 1.404 53 I CB -1.438 36.248 38.000 -0.524 0.000 1.071 53 I HN 0.477 nan 8.210 nan 0.000 0.419 54 E N 0.484 120.607 120.200 -0.127 0.000 2.072 54 E HA -0.102 4.249 4.350 0.002 0.000 0.190 54 E C 2.167 178.752 176.600 -0.026 0.000 0.982 54 E CA 1.055 57.415 56.400 -0.066 0.000 0.803 54 E CB -0.322 29.329 29.700 -0.082 0.000 0.755 54 E HN 0.496 nan 8.360 nan 0.000 0.453 55 G N 0.372 109.147 108.800 -0.042 0.000 2.776 55 G HA2 -0.124 3.837 3.960 0.002 0.000 0.209 55 G HA3 -0.124 3.837 3.960 0.002 0.000 0.209 55 G C 0.398 175.288 174.900 -0.018 0.000 1.145 55 G CA -0.303 44.767 45.100 -0.049 0.000 0.791 55 G HN 0.008 nan 8.290 nan 0.000 0.530 69 M N 1.605 121.204 119.600 -0.001 0.000 2.238 69 M HA 0.277 4.758 4.480 0.002 0.000 0.347 69 M C -0.029 176.442 176.300 0.284 0.000 1.173 69 M CA 0.927 56.246 55.300 0.033 0.000 1.147 69 M CB 0.476 32.908 32.600 -0.281 0.000 1.547 69 M HN 0.201 nan 8.290 nan 0.000 0.455 70 E N 2.283 122.657 120.200 0.291 0.000 2.367 70 E HA 0.473 4.824 4.350 0.002 0.000 0.273 70 E C -2.596 174.172 176.600 0.281 0.000 0.903 70 E CA -2.085 54.469 56.400 0.256 0.000 0.764 70 E CB 1.949 31.704 29.700 0.093 0.000 1.252 70 E HN 0.291 nan 8.360 nan 0.000 0.446 71 P HA -0.025 nan 4.420 nan 0.000 0.272 71 P C -0.543 176.844 177.300 0.145 0.000 1.230 71 P CA -0.415 62.733 63.100 0.079 0.000 0.788 71 P CB 0.435 32.077 31.700 -0.096 0.000 0.949 72 V N -0.538 119.504 119.914 0.212 0.000 2.924 72 V HA 0.342 4.463 4.120 0.002 0.000 0.305 72 V C -2.006 174.211 176.094 0.205 0.000 1.073 72 V CA -1.650 60.840 62.300 0.318 0.000 1.098 72 V CB -0.497 31.572 31.823 0.410 0.000 1.000 72 V HN 0.469 nan 8.190 nan 0.000 0.484 73 P HA 0.249 nan 4.420 nan 0.000 0.271 73 P C 0.731 178.099 177.300 0.114 0.000 1.218 73 P CA 0.276 63.460 63.100 0.139 0.000 0.780 73 P CB 0.787 32.577 31.700 0.149 0.000 0.901 74 R N 2.478 123.024 120.500 0.077 0.000 2.159 74 R HA -0.170 4.171 4.340 0.002 0.000 0.237 74 R C 1.877 178.222 176.300 0.076 0.000 1.131 74 R CA 2.000 58.139 56.100 0.065 0.000 0.982 74 R CB -1.762 28.565 30.300 0.046 0.000 0.868 74 R HN 0.548 nan 8.270 nan 0.000 0.453 75 E N 0.187 120.435 120.200 0.079 0.000 2.204 75 E HA -0.097 4.254 4.350 0.002 0.000 0.195 75 E C 1.928 178.571 176.600 0.073 0.000 0.990 75 E CA 1.586 58.032 56.400 0.076 0.000 0.821 75 E CB 0.144 29.886 29.700 0.070 0.000 0.750 75 E HN 0.602 nan 8.360 nan 0.000 0.477 76 V N -1.678 118.282 119.914 0.076 0.000 3.621 76 V HA 0.309 4.430 4.120 0.002 0.000 0.285 76 V C 0.397 176.528 176.094 0.062 0.000 1.346 76 V CA -0.355 61.962 62.300 0.028 0.000 1.104 76 V CB -0.255 31.546 31.823 -0.036 0.000 0.913 76 V HN 0.063 nan 8.190 nan 0.000 0.432 77 L N 1.915 123.194 121.223 0.094 0.000 2.296 77 L HA 0.925 5.266 4.340 0.002 0.000 0.286 77 L C 0.408 177.337 176.870 0.098 0.000 1.023 77 L CA -0.098 54.787 54.840 0.076 0.000 0.812 77 L CB 1.192 43.268 42.059 0.028 0.000 1.223 77 L HN 0.257 nan 8.230 nan 0.000 0.421 78 G N 1.817 110.614 108.800 -0.005 0.000 2.454 78 G HA2 0.554 4.516 3.960 0.002 0.000 0.329 78 G HA3 0.554 4.516 3.960 0.002 0.000 0.329 78 G C -1.464 173.239 174.900 -0.328 0.000 1.177 78 G CA -0.468 44.562 45.100 -0.116 0.000 0.951 78 G HN 0.541 nan 8.290 nan 0.000 0.485 79 S N -0.346 115.246 115.700 -0.181 0.000 2.672 79 S HA 0.517 4.989 4.470 0.002 0.000 0.291 79 S C 1.086 175.577 174.600 -0.181 0.000 1.145 79 S CA 0.286 58.314 58.200 -0.287 0.000 1.013 79 S CB 1.380 64.496 63.200 -0.140 0.000 1.017 79 S HN 1.311 nan 8.310 nan 0.000 0.487 80 A N 3.970 126.569 122.820 -0.368 0.000 2.024 80 A HA 0.002 4.323 4.320 0.002 0.000 0.220 80 A C 1.876 179.443 177.584 -0.028 0.000 1.164 80 A CA 2.353 54.330 52.037 -0.100 0.000 0.643 80 A CB -0.971 17.943 19.000 -0.143 0.000 0.806 80 A HN 0.795 nan 8.150 nan 0.000 0.451 81 T N -1.130 113.382 114.554 -0.070 0.000 2.901 81 T HA 0.020 4.371 4.350 0.002 0.000 0.252 81 T C 2.018 176.704 174.700 -0.022 0.000 1.035 81 T CA 0.804 62.881 62.100 -0.037 0.000 1.142 81 T CB -0.100 68.740 68.868 -0.048 0.000 0.869 81 T HN 0.436 nan 8.240 nan 0.000 0.442 82 R N 1.265 121.750 120.500 -0.025 0.000 2.193 82 R HA 0.057 4.398 4.340 0.002 0.000 0.213 82 R C 0.264 176.571 176.300 0.010 0.000 1.055 82 R CA 0.837 56.933 56.100 -0.007 0.000 0.995 82 R CB 0.076 30.373 30.300 -0.006 0.000 0.893 82 R HN 0.325 nan 8.270 nan 0.000 0.459 83 D N 0.459 120.880 120.400 0.035 0.000 2.643 83 D HA -0.011 4.631 4.640 0.002 0.000 0.244 83 D C 1.084 177.357 176.300 -0.044 0.000 1.257 83 D CA 0.029 54.053 54.000 0.039 0.000 0.831 83 D CB 0.677 41.609 40.800 0.220 0.000 1.043 83 D HN 0.180 nan 8.370 nan 0.000 0.488 84 Q N 1.283 121.063 119.800 -0.033 0.000 2.248 84 Q HA -0.191 4.150 4.340 0.002 0.000 0.208 84 Q C 1.109 177.044 176.000 -0.109 0.000 0.984 84 Q CA 1.523 57.298 55.803 -0.046 0.000 0.875 84 Q CB 0.256 28.978 28.738 -0.026 0.000 0.910 84 Q HN 0.221 nan 8.270 nan 0.000 0.433 85 D N -0.522 119.801 120.400 -0.127 0.000 2.350 85 D HA -0.194 4.448 4.640 0.002 0.000 0.216 85 D C 1.028 177.170 176.300 -0.264 0.000 0.968 85 D CA 1.016 54.923 54.000 -0.154 0.000 0.894 85 D CB -0.171 40.559 40.800 -0.117 0.000 0.909 85 D HN 0.446 nan 8.370 nan 0.000 0.520 86 Q N -0.552 118.983 119.800 -0.442 0.000 2.247 86 Q HA 0.274 4.615 4.340 0.002 0.000 0.211 86 Q C 2.169 177.633 176.000 -0.894 0.000 0.861 86 Q CA -0.296 55.015 55.803 -0.820 0.000 0.949 86 Q CB 0.625 28.535 28.738 -1.381 0.000 1.115 86 Q HN 0.254 nan 8.270 nan 0.000 0.507 87 L N 0.683 121.651 121.223 -0.425 0.000 2.042 87 L HA -0.280 4.062 4.340 0.002 0.000 0.210 87 L C 2.528 179.367 176.870 -0.052 0.000 1.076 87 L CA 1.500 56.290 54.840 -0.085 0.000 0.749 87 L CB -0.281 41.800 42.059 0.037 0.000 0.893 87 L HN 0.282 nan 8.230 nan 0.000 0.432 88 Q N 0.163 119.892 119.800 -0.117 0.000 2.084 88 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 88 Q C 2.149 178.103 176.000 -0.078 0.000 0.978 88 Q CA 2.139 57.894 55.803 -0.081 0.000 0.844 88 Q CB -0.246 28.430 28.738 -0.102 0.000 0.898 88 Q HN 0.431 nan 8.270 nan 0.000 0.426 89 A N -0.462 122.261 122.820 -0.160 0.000 1.902 89 A HA -0.150 4.171 4.320 0.002 0.000 0.217 89 A C 1.797 179.414 177.584 0.054 0.000 1.181 89 A CA 1.428 53.398 52.037 -0.111 0.000 0.623 89 A CB -1.141 17.738 19.000 -0.202 0.000 0.818 89 A HN 0.629 nan 8.150 nan 0.000 0.443 90 W N -0.055 121.258 121.300 0.023 0.000 2.381 90 W HA -0.072 4.589 4.660 0.002 0.000 0.301 90 W C 2.228 178.758 176.519 0.019 0.000 1.205 90 W CA 0.874 58.233 57.345 0.022 0.000 1.285 90 W CB -1.169 28.327 29.460 0.060 0.000 1.133 90 W HN 0.638 nan 8.180 nan 0.000 0.521 91 E N 0.218 120.563 120.200 0.241 0.000 2.085 91 E HA -0.182 4.169 4.350 0.002 0.000 0.194 91 E C 2.179 178.860 176.600 0.135 0.000 0.994 91 E CA 2.045 58.541 56.400 0.159 0.000 0.801 91 E CB -0.112 29.657 29.700 0.115 0.000 0.743 91 E HN -0.039 nan 8.360 nan 0.000 0.453 92 S N 0.353 116.116 115.700 0.104 0.000 2.368 92 S HA -0.188 4.284 4.470 0.002 0.000 0.225 92 S C 1.799 176.510 174.600 0.184 0.000 1.030 92 S CA 1.354 59.623 58.200 0.114 0.000 0.999 92 S CB -0.262 62.956 63.200 0.031 0.000 0.844 92 S HN 0.291 nan 8.310 nan 0.000 0.459 93 E N 1.288 121.580 120.200 0.154 0.000 2.077 93 E HA -0.054 4.297 4.350 0.002 0.000 0.193 93 E C 2.033 178.742 176.600 0.183 0.000 0.989 93 E CA 1.454 57.953 56.400 0.165 0.000 0.800 93 E CB -0.874 28.905 29.700 0.132 0.000 0.746 93 E HN 0.404 nan 8.360 nan 0.000 0.452 94 G N 0.472 109.358 108.800 0.143 0.000 2.402 94 G HA2 -0.211 3.750 3.960 0.002 0.000 0.216 94 G HA3 -0.211 3.750 3.960 0.002 0.000 0.216 94 G C 1.604 176.571 174.900 0.112 0.000 1.162 94 G CA 0.814 45.977 45.100 0.104 0.000 0.777 94 G HN 0.304 nan 8.290 nan 0.000 0.539 95 L N -0.726 120.595 121.223 0.165 0.000 2.093 95 L HA 0.029 4.370 4.340 0.002 0.000 0.208 95 L C 2.526 179.481 176.870 0.141 0.000 1.085 95 L CA 0.736 55.701 54.840 0.210 0.000 0.755 95 L CB -0.354 41.925 42.059 0.365 0.000 0.904 95 L HN 0.241 nan 8.230 nan 0.000 0.435 96 F N 0.677 120.588 119.950 -0.066 0.000 2.102 96 F HA -0.241 4.288 4.527 0.002 0.000 0.298 96 F C 2.692 178.338 175.800 -0.257 0.000 1.105 96 F CA 1.530 59.274 58.000 -0.427 0.000 1.239 96 F CB -0.231 38.619 39.000 -0.250 0.000 0.991 96 F HN 0.039 nan 8.300 nan 0.000 0.474 97 Q N 0.588 120.302 119.800 -0.144 0.000 2.096 97 Q HA -0.186 4.155 4.340 0.002 0.000 0.204 97 Q C 2.544 178.437 176.000 -0.178 0.000 0.982 97 Q CA 2.081 57.770 55.803 -0.189 0.000 0.850 97 Q CB -0.736 28.018 28.738 0.027 0.000 0.901 97 Q HN 0.533 nan 8.270 nan 0.000 0.422 98 I N 1.080 121.596 120.570 -0.090 0.000 2.226 98 I HA -0.287 3.884 4.170 0.002 0.000 0.245 98 I C 2.488 178.539 176.117 -0.110 0.000 1.100 98 I CA 1.498 62.766 61.300 -0.053 0.000 1.374 98 I CB -0.388 37.609 38.000 -0.005 0.000 1.057 98 I HN 0.194 nan 8.210 nan 0.000 0.413 99 S N 0.077 115.662 115.700 -0.191 0.000 2.442 99 S HA -0.179 4.292 4.470 0.002 0.000 0.236 99 S C 1.729 176.161 174.600 -0.280 0.000 1.007 99 S CA 0.824 58.899 58.200 -0.209 0.000 0.965 99 S CB -0.223 62.784 63.200 -0.321 0.000 0.773 99 S HN 0.445 nan 8.310 nan 0.000 0.504 100 Q N 1.077 120.630 119.800 -0.413 0.000 2.280 100 Q HA 0.219 4.560 4.340 0.002 0.000 0.202 100 Q C -0.266 175.624 176.000 -0.183 0.000 0.903 100 Q CA -0.103 55.481 55.803 -0.364 0.000 0.948 100 Q CB -0.239 28.153 28.738 -0.577 0.000 1.058 100 Q HN 0.586 nan 8.270 nan 0.000 0.493 101 N N 1.034 119.662 118.700 -0.120 0.000 2.735 101 N HA -0.148 4.593 4.740 0.002 0.000 0.248 101 N C -0.031 175.475 175.510 -0.006 0.000 1.083 101 N CA 0.619 53.644 53.050 -0.042 0.000 0.703 101 N CB -0.548 37.925 38.487 -0.023 0.000 1.005 101 N HN 0.244 nan 8.380 nan 0.000 0.550 102 K N -0.377 120.016 120.400 -0.012 0.000 2.372 102 K HA 0.273 4.594 4.320 0.002 0.000 0.200 102 K C 0.303 176.976 176.600 0.121 0.000 1.022 102 K CA 0.124 56.451 56.287 0.067 0.000 1.125 102 K CB 1.076 33.610 32.500 0.057 0.000 0.855 102 K HN 0.058 nan 8.250 nan 0.000 0.524 103 V N 0.917 120.887 119.914 0.094 0.000 2.604 103 V HA 0.689 4.810 4.120 0.002 0.000 0.305 103 V C -0.375 175.804 176.094 0.142 0.000 1.043 103 V CA -1.080 61.292 62.300 0.121 0.000 0.888 103 V CB 1.755 33.643 31.823 0.107 0.000 0.995 103 V HN 0.202 nan 8.190 nan 0.000 0.429 104 A N 3.729 126.657 122.820 0.180 0.000 2.485 104 A HA 1.008 5.330 4.320 0.002 0.000 0.292 104 A C -0.727 177.037 177.584 0.300 0.000 1.147 104 A CA -0.541 51.652 52.037 0.260 0.000 0.750 104 A CB 2.239 21.472 19.000 0.388 0.000 1.331 104 A HN 1.538 nan 8.150 nan 0.000 0.419 105 V N -1.433 118.707 119.914 0.377 0.000 2.864 105 V HA 0.887 5.008 4.120 0.002 0.000 0.314 105 V C -0.806 175.618 176.094 0.551 0.000 1.073 105 V CA -0.784 61.769 62.300 0.421 0.000 0.956 105 V CB 1.566 33.600 31.823 0.352 0.000 1.023 105 V HN 1.106 nan 8.190 nan 0.000 0.435 106 L N 3.683 125.186 121.223 0.467 0.000 2.441 106 L HA 0.655 4.996 4.340 0.002 0.000 0.270 106 L C -1.238 175.740 176.870 0.181 0.000 0.973 106 L CA -0.737 54.346 54.840 0.405 0.000 0.842 106 L CB 1.615 43.855 42.059 0.302 0.000 1.239 106 L HN 0.891 nan 8.230 nan 0.000 0.406 107 L N 5.876 127.175 121.223 0.126 0.000 2.276 107 L HA 0.483 4.825 4.340 0.002 0.000 0.286 107 L C -1.026 175.746 176.870 -0.163 0.000 1.061 107 L CA 0.047 54.726 54.840 -0.268 0.000 0.807 107 L CB 1.213 43.285 42.059 0.021 0.000 1.177 107 L HN 0.539 nan 8.230 nan 0.000 0.429 108 L N 6.708 127.796 121.223 -0.225 0.000 2.312 108 L HA 0.528 4.869 4.340 0.002 0.000 0.287 108 L C 0.597 177.412 176.870 -0.093 0.000 1.091 108 L CA -0.051 54.715 54.840 -0.124 0.000 0.846 108 L CB 0.710 42.716 42.059 -0.088 0.000 1.219 108 L HN 0.877 nan 8.230 nan 0.000 0.439 109 A N 2.196 124.977 122.820 -0.065 0.000 2.674 109 A HA 0.475 4.796 4.320 0.002 0.000 0.286 109 A C 1.188 178.764 177.584 -0.014 0.000 0.980 109 A CA 0.045 52.084 52.037 0.003 0.000 1.028 109 A CB 0.231 19.318 19.000 0.146 0.000 1.199 109 A HN 0.756 nan 8.150 nan 0.000 0.499 110 G N -0.293 108.475 108.800 -0.053 0.000 2.986 110 G HA2 0.378 4.339 3.960 0.002 0.000 0.213 110 G HA3 0.378 4.339 3.960 0.002 0.000 0.213 110 G C 0.818 175.703 174.900 -0.026 0.000 1.156 110 G CA 0.542 45.611 45.100 -0.052 0.000 0.763 110 G HN 0.778 nan 8.290 nan 0.000 0.547 111 G N 0.238 109.025 108.800 -0.022 0.000 2.432 111 G HA2 0.466 4.427 3.960 0.002 0.000 0.239 111 G HA3 0.466 4.427 3.960 0.002 0.000 0.239 111 G C -0.229 174.663 174.900 -0.012 0.000 1.291 111 G CA -0.135 44.957 45.100 -0.013 0.000 0.863 111 G HN 0.582 nan 8.290 nan 0.000 0.560 112 Q N 0.801 120.596 119.800 -0.008 0.000 2.309 112 Q HA 0.684 5.025 4.340 0.002 0.000 0.273 112 Q C -0.052 175.941 176.000 -0.012 0.000 1.040 112 Q CA -0.678 55.118 55.803 -0.012 0.000 0.834 112 Q CB 2.110 30.846 28.738 -0.003 0.000 1.345 112 Q HN 0.727 nan 8.270 nan 0.000 0.414 113 G N 0.308 109.094 108.800 -0.024 0.000 4.251 113 G HA2 0.059 4.020 3.960 0.002 0.000 0.147 113 G HA3 0.059 4.020 3.960 0.002 0.000 0.147 113 G C 0.220 175.102 174.900 -0.031 0.000 1.014 113 G CA 0.352 45.441 45.100 -0.018 0.000 0.831 113 G HN 0.860 nan 8.290 nan 0.000 0.539 114 T N -0.254 114.267 114.554 -0.054 0.000 5.888 114 T HA -0.274 4.077 4.350 0.002 0.000 0.275 114 T C 1.550 176.216 174.700 -0.058 0.000 2.123 114 T CA 1.728 63.790 62.100 -0.063 0.000 3.523 114 T CB -1.202 67.641 68.868 -0.042 0.000 1.240 114 T HN 0.628 nan 8.240 nan 0.000 1.133 115 R N 0.898 121.363 120.500 -0.057 0.000 2.148 115 R HA 0.139 4.480 4.340 0.002 0.000 0.227 115 R C 2.171 178.427 176.300 -0.073 0.000 1.103 115 R CA 1.222 57.290 56.100 -0.053 0.000 0.983 115 R CB -0.236 30.035 30.300 -0.049 0.000 0.874 115 R HN 0.592 nan 8.270 nan 0.000 0.451 116 L N -0.372 120.789 121.223 -0.104 0.000 2.552 116 L HA 0.138 4.479 4.340 0.002 0.000 0.227 116 L C 1.171 178.007 176.870 -0.057 0.000 1.146 116 L CA 0.722 55.490 54.840 -0.120 0.000 0.858 116 L CB -0.098 41.834 42.059 -0.211 0.000 0.969 116 L HN 0.609 nan 8.230 nan 0.000 0.451 117 G N 0.869 109.632 108.800 -0.061 0.000 2.136 117 G HA2 -0.232 3.730 3.960 0.002 0.000 0.242 117 G HA3 -0.232 3.730 3.960 0.002 0.000 0.242 117 G C 0.136 174.996 174.900 -0.066 0.000 0.989 117 G CA 0.227 45.301 45.100 -0.044 0.000 0.682 117 G HN 0.296 nan 8.290 nan 0.000 0.522 118 V N -4.086 115.740 119.914 -0.146 0.000 3.074 118 V HA 0.963 5.084 4.120 0.002 0.000 0.314 118 V C 0.902 176.809 176.094 -0.312 0.000 1.117 118 V CA -0.073 62.056 62.300 -0.284 0.000 1.014 118 V CB 1.555 33.000 31.823 -0.630 0.000 1.057 118 V HN 1.299 nan 8.190 nan 0.000 0.438 119 A N 1.185 123.843 122.820 -0.269 0.000 2.195 119 A HA 0.416 4.737 4.320 0.002 0.000 0.210 119 A C 0.698 178.245 177.584 -0.061 0.000 1.165 119 A CA 0.497 52.467 52.037 -0.111 0.000 0.806 119 A CB -0.548 18.456 19.000 0.008 0.000 0.847 119 A HN 1.228 nan 8.150 nan 0.000 0.482 120 Y N -0.872 119.436 120.300 0.015 0.000 2.458 120 Y HA 0.707 5.258 4.550 0.002 0.000 0.322 120 Y C -2.484 173.415 175.900 -0.001 0.000 1.259 120 Y CA -3.992 54.110 58.100 0.004 0.000 1.302 120 Y CB -0.309 38.142 38.460 -0.015 0.000 1.314 120 Y HN -0.097 nan 8.280 nan 0.000 0.509 121 P HA 0.087 nan 4.420 nan 0.000 0.271 121 P C -0.093 177.258 177.300 0.084 0.000 1.218 121 P CA -0.335 62.827 63.100 0.104 0.000 0.780 121 P CB 1.586 33.363 31.700 0.127 0.000 0.901 122 K N 1.794 122.177 120.400 -0.028 0.000 2.152 122 K HA -0.132 4.189 4.320 0.002 0.000 0.206 122 K C 2.108 178.591 176.600 -0.196 0.000 1.048 122 K CA 1.860 58.109 56.287 -0.064 0.000 0.933 122 K CB -0.899 31.532 32.500 -0.115 0.000 0.721 122 K HN 0.696 nan 8.250 nan 0.000 0.447 123 G N 0.452 108.929 108.800 -0.539 0.000 2.498 123 G HA2 -0.220 3.741 3.960 0.002 0.000 0.219 123 G HA3 -0.220 3.741 3.960 0.002 0.000 0.219 123 G C 1.185 175.529 174.900 -0.927 0.000 1.119 123 G CA 0.560 44.897 45.100 -1.273 0.000 0.766 123 G HN 0.272 nan 8.290 nan 0.000 0.552 124 M N -0.671 118.650 119.600 -0.466 0.000 2.495 124 M HA 0.275 4.756 4.480 0.002 0.000 0.237 124 M C 0.146 176.350 176.300 -0.161 0.000 1.131 124 M CA -0.323 54.705 55.300 -0.453 0.000 1.032 124 M CB 0.319 32.531 32.600 -0.647 0.000 1.513 124 M HN 0.166 nan 8.290 nan 0.000 0.488 125 Y N 1.474 121.733 120.300 -0.069 0.000 2.359 125 Y HA 0.071 4.623 4.550 0.002 0.000 0.330 125 Y C 0.089 175.984 175.900 -0.010 0.000 1.143 125 Y CA -0.385 57.750 58.100 0.058 0.000 1.318 125 Y CB 0.524 39.005 38.460 0.035 0.000 1.234 125 Y HN -0.001 nan 8.280 nan 0.000 0.522 126 D N 4.930 125.222 120.400 -0.181 0.000 2.412 126 D HA 0.110 4.751 4.640 0.002 0.000 0.224 126 D C 0.457 176.786 176.300 0.047 0.000 1.093 126 D CA -0.452 53.512 54.000 -0.060 0.000 0.850 126 D CB 0.934 41.662 40.800 -0.119 0.000 1.046 126 D HN 0.415 nan 8.370 nan 0.000 0.507 127 V N 1.960 121.977 119.914 0.172 0.000 3.510 127 V HA 0.341 4.462 4.120 0.002 0.000 0.270 127 V C 1.334 177.469 176.094 0.070 0.000 1.201 127 V CA 0.503 62.919 62.300 0.193 0.000 1.166 127 V CB -0.806 31.073 31.823 0.094 0.000 0.825 127 V HN 0.789 nan 8.190 nan 0.000 0.484 128 G N 0.114 108.925 108.800 0.019 0.000 2.140 128 G HA2 -0.190 3.772 3.960 0.002 0.000 0.211 128 G HA3 -0.190 3.772 3.960 0.002 0.000 0.211 128 G C -0.169 174.698 174.900 -0.055 0.000 1.013 128 G CA 0.092 45.181 45.100 -0.018 0.000 0.705 128 G HN 0.553 nan 8.290 nan 0.000 0.508 129 L N -0.509 120.681 121.223 -0.054 0.000 2.473 129 L HA 0.188 4.529 4.340 0.002 0.000 0.268 129 L C -0.259 176.579 176.870 -0.054 0.000 1.215 129 L CA -1.478 53.315 54.840 -0.078 0.000 0.823 129 L CB 0.443 42.463 42.059 -0.065 0.000 1.099 129 L HN -0.075 nan 8.230 nan 0.000 0.483 130 P HA -0.177 nan 4.420 nan 0.000 0.216 130 P C 1.418 178.714 177.300 -0.006 0.000 1.150 130 P CA 1.391 64.474 63.100 -0.027 0.000 0.843 130 P CB 0.156 31.846 31.700 -0.017 0.000 0.787 131 S N -1.616 114.085 115.700 0.001 0.000 2.527 131 S HA 0.020 4.491 4.470 0.002 0.000 0.222 131 S C 1.068 175.678 174.600 0.017 0.000 0.985 131 S CA 0.067 58.278 58.200 0.017 0.000 0.921 131 S CB -0.764 62.456 63.200 0.032 0.000 0.772 131 S HN 0.034 nan 8.310 nan 0.000 0.529 132 R N 0.194 120.697 120.500 0.005 0.000 4.000 132 R HA -0.130 4.211 4.340 0.002 0.000 0.362 132 R C -0.680 175.636 176.300 0.027 0.000 1.183 132 R CA 1.108 57.213 56.100 0.009 0.000 1.011 132 R CB -2.050 28.257 30.300 0.012 0.000 1.501 132 R HN 0.517 nan 8.270 nan 0.000 0.553 133 K N 1.785 122.203 120.400 0.030 0.000 2.436 133 K HA 0.041 4.362 4.320 0.002 0.000 0.275 133 K C 1.111 177.730 176.600 0.032 0.000 0.999 133 K CA 0.847 57.158 56.287 0.040 0.000 0.980 133 K CB 0.480 32.997 32.500 0.029 0.000 0.919 133 K HN 0.161 nan 8.250 nan 0.000 0.484 134 T N -0.512 114.072 114.554 0.051 0.000 2.788 134 T HA 0.144 4.495 4.350 0.002 0.000 0.287 134 T C 1.595 176.300 174.700 0.007 0.000 1.007 134 T CA -0.715 61.409 62.100 0.039 0.000 1.005 134 T CB 0.505 69.429 68.868 0.093 0.000 1.012 134 T HN 0.449 nan 8.240 nan 0.000 0.530 135 L N -0.555 120.653 121.223 -0.024 0.000 2.012 135 L HA -0.022 4.319 4.340 0.002 0.000 0.210 135 L C 2.648 179.552 176.870 0.058 0.000 1.073 135 L CA 1.610 56.436 54.840 -0.024 0.000 0.748 135 L CB -0.672 41.329 42.059 -0.097 0.000 0.891 135 L HN 0.687 nan 8.230 nan 0.000 0.431 136 F N -0.095 119.886 119.950 0.052 0.000 2.091 136 F HA -0.361 4.167 4.527 0.002 0.000 0.299 136 F C 2.909 178.522 175.800 -0.312 0.000 1.103 136 F CA 1.599 59.636 58.000 0.061 0.000 1.228 136 F CB -0.216 38.829 39.000 0.076 0.000 0.984 136 F HN 0.193 nan 8.300 nan 0.000 0.477 137 Q N 0.855 120.424 119.800 -0.385 0.000 2.119 137 Q HA -0.180 4.161 4.340 0.002 0.000 0.201 137 Q C 2.120 177.977 176.000 -0.238 0.000 0.972 137 Q CA 1.484 56.859 55.803 -0.713 0.000 0.847 137 Q CB -0.171 28.327 28.738 -0.401 0.000 0.903 137 Q HN 0.486 nan 8.270 nan 0.000 0.433 138 I N 0.560 121.082 120.570 -0.079 0.000 2.286 138 I HA -0.304 3.867 4.170 0.002 0.000 0.248 138 I C 2.363 178.475 176.117 -0.007 0.000 1.115 138 I CA 1.258 62.548 61.300 -0.016 0.000 1.392 138 I CB -0.183 37.820 38.000 0.005 0.000 1.065 138 I HN 0.339 nan 8.210 nan 0.000 0.418 139 Q N 0.513 120.333 119.800 0.033 0.000 2.079 139 Q HA -0.163 4.178 4.340 0.002 0.000 0.200 139 Q C 2.506 178.388 176.000 -0.196 0.000 0.974 139 Q CA 1.693 57.497 55.803 0.003 0.000 0.840 139 Q CB -0.295 28.607 28.738 0.274 0.000 0.898 139 Q HN 0.569 nan 8.270 nan 0.000 0.430 140 A N 1.443 124.176 122.820 -0.145 0.000 1.908 140 A HA -0.255 4.066 4.320 0.002 0.000 0.218 140 A C 1.807 179.365 177.584 -0.042 0.000 1.181 140 A CA 1.676 53.631 52.037 -0.136 0.000 0.627 140 A CB -0.453 18.636 19.000 0.148 0.000 0.818 140 A HN 0.354 nan 8.150 nan 0.000 0.445 141 E N -0.747 119.450 120.200 -0.005 0.000 2.204 141 E HA -0.140 4.211 4.350 0.002 0.000 0.194 141 E C 2.238 178.877 176.600 0.065 0.000 0.989 141 E CA 0.756 57.187 56.400 0.052 0.000 0.824 141 E CB -0.120 29.617 29.700 0.063 0.000 0.756 141 E HN 0.554 nan 8.360 nan 0.000 0.477 142 R N 0.309 120.838 120.500 0.048 0.000 2.115 142 R HA -0.011 4.330 4.340 0.002 0.000 0.226 142 R C 2.286 178.656 176.300 0.116 0.000 1.100 142 R CA 0.774 56.969 56.100 0.159 0.000 0.980 142 R CB -0.077 30.309 30.300 0.143 0.000 0.875 142 R HN 0.174 nan 8.270 nan 0.000 0.445 143 I N 0.660 121.209 120.570 -0.036 0.000 2.202 143 I HA -0.264 3.907 4.170 0.002 0.000 0.242 143 I C 2.156 178.268 176.117 -0.008 0.000 1.091 143 I CA 1.172 62.426 61.300 -0.076 0.000 1.368 143 I CB -0.172 37.686 38.000 -0.237 0.000 1.058 143 I HN 0.142 nan 8.210 nan 0.000 0.410 144 L N 0.623 121.859 121.223 0.022 0.000 2.042 144 L HA -0.249 4.093 4.340 0.002 0.000 0.210 144 L C 2.622 179.519 176.870 0.046 0.000 1.076 144 L CA 1.284 56.156 54.840 0.054 0.000 0.749 144 L CB -0.481 41.630 42.059 0.086 0.000 0.893 144 L HN 0.192 nan 8.230 nan 0.000 0.432 145 K N 0.789 121.226 120.400 0.062 0.000 2.026 145 K HA -0.165 4.156 4.320 0.002 0.000 0.208 145 K C 1.923 178.519 176.600 -0.005 0.000 1.048 145 K CA 1.660 57.983 56.287 0.060 0.000 0.929 145 K CB -0.448 32.143 32.500 0.152 0.000 0.713 145 K HN 0.182 nan 8.250 nan 0.000 0.439 146 L N 0.469 121.660 121.223 -0.052 0.000 2.093 146 L HA -0.172 4.169 4.340 0.002 0.000 0.208 146 L C 2.620 179.464 176.870 -0.044 0.000 1.085 146 L CA 1.340 56.106 54.840 -0.123 0.000 0.755 146 L CB -0.444 41.501 42.059 -0.191 0.000 0.904 146 L HN 0.318 nan 8.230 nan 0.000 0.435 147 Q N -0.389 119.404 119.800 -0.012 0.000 2.135 147 Q HA -0.278 4.063 4.340 0.002 0.000 0.204 147 Q C 2.274 178.279 176.000 0.008 0.000 0.981 147 Q CA 1.601 57.409 55.803 0.008 0.000 0.856 147 Q CB -0.096 28.655 28.738 0.022 0.000 0.902 147 Q HN 0.501 nan 8.270 nan 0.000 0.425 148 Q N -0.353 119.447 119.800 0.000 0.000 2.079 148 Q HA -0.108 4.234 4.340 0.002 0.000 0.200 148 Q C 2.122 178.093 176.000 -0.048 0.000 0.974 148 Q CA 1.223 57.018 55.803 -0.012 0.000 0.840 148 Q CB 0.061 28.797 28.738 -0.004 0.000 0.898 148 Q HN 0.161 nan 8.270 nan 0.000 0.430 149 V N 0.448 120.323 119.914 -0.065 0.000 2.358 149 V HA -0.251 3.871 4.120 0.002 0.000 0.246 149 V C 2.143 178.192 176.094 -0.076 0.000 1.047 149 V CA 1.701 63.922 62.300 -0.132 0.000 1.035 149 V CB -1.036 30.724 31.823 -0.105 0.000 0.658 149 V HN 0.430 nan 8.190 nan 0.000 0.452 150 A N -0.302 122.547 122.820 0.048 0.000 1.908 150 A HA -0.297 4.024 4.320 0.002 0.000 0.218 150 A C 2.284 179.993 177.584 0.208 0.000 1.181 150 A CA 2.082 54.243 52.037 0.208 0.000 0.627 150 A CB -0.548 18.544 19.000 0.153 0.000 0.818 150 A HN 0.637 nan 8.150 nan 0.000 0.445 151 E N -0.278 119.973 120.200 0.085 0.000 2.204 151 E HA -0.179 4.172 4.350 0.002 0.000 0.195 151 E C 1.836 178.451 176.600 0.026 0.000 0.990 151 E CA 1.136 57.578 56.400 0.070 0.000 0.821 151 E CB -0.057 29.662 29.700 0.032 0.000 0.750 151 E HN 0.583 nan 8.360 nan 0.000 0.477 152 K N -0.646 119.712 120.400 -0.071 0.000 2.186 152 K HA -0.069 4.252 4.320 0.002 0.000 0.202 152 K C 1.639 178.142 176.600 -0.162 0.000 1.052 152 K CA 0.797 56.988 56.287 -0.161 0.000 0.965 152 K CB 0.052 32.367 32.500 -0.309 0.000 0.746 152 K HN 0.332 nan 8.250 nan 0.000 0.457 153 Y N -1.438 118.786 120.300 -0.126 0.000 2.517 153 Y HA -0.073 4.478 4.550 0.002 0.000 0.281 153 Y C 1.066 176.595 175.900 -0.617 0.000 1.125 153 Y CA 0.367 58.252 58.100 -0.358 0.000 1.283 153 Y CB 0.443 38.629 38.460 -0.457 0.000 1.042 153 Y HN 0.054 nan 8.280 nan 0.000 0.547 154 Y N -2.332 118.076 120.300 0.180 0.000 2.452 154 Y HA 0.337 4.888 4.550 0.002 0.000 0.262 154 Y C 1.846 177.796 175.900 0.084 0.000 1.089 154 Y CA 0.313 58.494 58.100 0.136 0.000 1.262 154 Y CB 1.163 39.708 38.460 0.143 0.000 1.236 154 Y HN 0.034 nan 8.280 nan 0.000 0.512 155 G N 0.946 109.838 108.800 0.155 0.000 2.308 155 G HA2 -0.324 3.637 3.960 0.002 0.000 0.221 155 G HA3 -0.324 3.637 3.960 0.002 0.000 0.221 155 G C 0.113 175.064 174.900 0.084 0.000 1.032 155 G CA 0.139 45.296 45.100 0.095 0.000 0.623 155 G HN 0.534 nan 8.290 nan 0.000 0.506 156 N N 0.117 118.881 118.700 0.106 0.000 2.482 156 N HA 0.622 5.363 4.740 0.002 0.000 0.279 156 N C -0.109 175.434 175.510 0.055 0.000 1.182 156 N CA -0.724 52.366 53.050 0.067 0.000 0.969 156 N CB 1.055 39.575 38.487 0.056 0.000 1.201 156 N HN 0.366 nan 8.380 nan 0.000 0.523 157 K N -0.038 120.384 120.400 0.035 0.000 2.185 157 K HA 0.419 4.740 4.320 0.002 0.000 0.271 157 K C -0.530 176.082 176.600 0.020 0.000 1.013 157 K CA -0.751 55.553 56.287 0.028 0.000 0.943 157 K CB 0.570 33.084 32.500 0.023 0.000 0.998 157 K HN 0.805 nan 8.250 nan 0.000 0.468 158 C N 0.119 119.430 119.300 0.019 0.000 3.236 158 C HA 0.708 5.169 4.460 0.002 0.000 0.312 158 C C -1.045 173.954 174.990 0.015 0.000 1.374 158 C CA -1.149 57.873 59.018 0.007 0.000 1.455 158 C CB 0.680 28.416 27.740 -0.005 0.000 1.834 158 C HN 0.587 nan 8.230 nan 0.000 0.460 159 I N 1.325 121.903 120.570 0.014 0.000 2.582 159 I HA 0.468 4.639 4.170 0.002 0.000 0.292 159 I C -0.743 175.396 176.117 0.037 0.000 1.066 159 I CA -0.719 60.598 61.300 0.027 0.000 1.053 159 I CB 1.855 39.870 38.000 0.025 0.000 1.241 159 I HN 0.716 nan 8.210 nan 0.000 0.421 160 I N 6.913 127.512 120.570 0.048 0.000 2.428 160 I HA 0.269 4.441 4.170 0.002 0.000 0.279 160 I C -2.321 173.851 176.117 0.092 0.000 1.040 160 I CA -1.673 59.669 61.300 0.069 0.000 1.171 160 I CB 1.537 39.567 38.000 0.050 0.000 1.312 160 I HN 0.168 nan 8.210 nan 0.000 0.470 161 P HA -0.072 nan 4.420 nan 0.000 0.269 161 P C -1.069 176.311 177.300 0.134 0.000 1.209 161 P CA -0.027 63.090 63.100 0.029 0.000 0.776 161 P CB 0.397 32.051 31.700 -0.077 0.000 0.876 162 W N 5.159 126.364 121.300 -0.158 0.000 2.338 162 W HA 0.354 5.015 4.660 0.002 0.000 0.315 162 W C -1.565 174.841 176.519 -0.189 0.000 1.005 162 W CA -1.026 56.293 57.345 -0.043 0.000 1.380 162 W CB -0.206 29.284 29.460 0.050 0.000 1.235 162 W HN 0.330 nan 8.180 nan 0.000 0.409 163 Y N 6.028 126.501 120.300 0.288 0.000 2.316 163 Y HA 0.428 4.979 4.550 0.002 0.000 0.331 163 Y C 0.600 176.547 175.900 0.078 0.000 1.083 163 Y CA -0.152 58.039 58.100 0.151 0.000 1.206 163 Y CB 0.886 39.474 38.460 0.212 0.000 1.195 163 Y HN 0.076 nan 8.280 nan 0.000 0.497 164 I N 5.021 125.601 120.570 0.015 0.000 2.439 164 I HA 0.284 4.455 4.170 0.002 0.000 0.285 164 I C -0.633 175.341 176.117 -0.238 0.000 1.021 164 I CA -0.675 60.505 61.300 -0.199 0.000 1.091 164 I CB 1.558 39.182 38.000 -0.627 0.000 1.242 164 I HN 0.551 nan 8.210 nan 0.000 0.439 165 M N 7.362 126.726 119.600 -0.393 0.000 2.108 165 M HA 0.369 4.850 4.480 0.002 0.000 0.354 165 M C -0.052 176.015 176.300 -0.389 0.000 1.229 165 M CA 0.064 54.854 55.300 -0.850 0.000 1.081 165 M CB 0.893 33.023 32.600 -0.782 0.000 1.606 165 M HN 0.756 nan 8.290 nan 0.000 0.467 166 T N 1.322 115.675 114.554 -0.335 0.000 2.905 166 T HA 0.845 5.196 4.350 0.002 0.000 0.283 166 T C -0.141 174.478 174.700 -0.135 0.000 1.031 166 T CA -0.560 61.453 62.100 -0.144 0.000 1.002 166 T CB 1.563 70.386 68.868 -0.075 0.000 1.200 166 T HN 0.734 nan 8.240 nan 0.000 0.560 167 S N -1.318 114.341 115.700 -0.069 0.000 2.745 167 S HA 0.669 5.140 4.470 0.002 0.000 0.306 167 S C 1.593 176.177 174.600 -0.027 0.000 1.137 167 S CA -0.372 57.799 58.200 -0.048 0.000 0.900 167 S CB 0.834 64.015 63.200 -0.030 0.000 1.176 167 S HN 1.177 nan 8.310 nan 0.000 0.520 168 G N 0.410 109.202 108.800 -0.013 0.000 2.475 168 G HA2 -0.168 3.793 3.960 0.002 0.000 0.220 168 G HA3 -0.168 3.793 3.960 0.002 0.000 0.220 168 G C 1.140 176.038 174.900 -0.002 0.000 1.125 168 G CA 0.425 45.523 45.100 -0.004 0.000 0.755 168 G HN 0.534 nan 8.290 nan 0.000 0.565 169 R N 0.305 120.806 120.500 0.001 0.000 2.480 169 R HA 0.153 4.494 4.340 0.002 0.000 0.277 169 R C 1.334 177.642 176.300 0.013 0.000 1.008 169 R CA 0.978 57.082 56.100 0.007 0.000 1.090 169 R CB -0.190 30.116 30.300 0.010 0.000 1.234 169 R HN 0.557 nan 8.270 nan 0.000 0.549 170 T N -5.863 108.694 114.554 0.005 0.000 3.123 170 T HA -0.003 4.348 4.350 0.002 0.000 0.266 170 T C 1.467 176.159 174.700 -0.013 0.000 0.873 170 T CA -0.222 61.889 62.100 0.019 0.000 0.854 170 T CB -0.160 68.730 68.868 0.037 0.000 1.254 170 T HN -0.050 nan 8.240 nan 0.000 0.570 171 M N 2.736 122.310 119.600 -0.043 0.000 2.082 171 M HA -0.025 4.456 4.480 0.002 0.000 0.258 171 M C 1.798 178.012 176.300 -0.144 0.000 1.071 171 M CA 2.145 57.387 55.300 -0.097 0.000 1.103 171 M CB -0.721 31.837 32.600 -0.070 0.000 1.307 171 M HN 0.280 nan 8.290 nan 0.000 0.409 172 E N -0.076 120.073 120.200 -0.084 0.000 2.038 172 E HA -0.174 4.177 4.350 0.002 0.000 0.195 172 E C 2.042 178.606 176.600 -0.060 0.000 1.000 172 E CA 2.186 58.540 56.400 -0.076 0.000 0.803 172 E CB -0.570 29.110 29.700 -0.033 0.000 0.750 172 E HN 0.762 nan 8.360 nan 0.000 0.448 173 S N 0.005 115.699 115.700 -0.010 0.000 2.368 173 S HA -0.183 4.288 4.470 0.002 0.000 0.225 173 S C 2.124 176.770 174.600 0.076 0.000 1.030 173 S CA 1.628 59.856 58.200 0.046 0.000 0.999 173 S CB -0.852 62.395 63.200 0.079 0.000 0.844 173 S HN 0.171 nan 8.310 nan 0.000 0.459 174 T N 2.191 116.759 114.554 0.023 0.000 2.708 174 T HA -0.016 4.335 4.350 0.002 0.000 0.266 174 T C 1.812 176.433 174.700 -0.131 0.000 1.037 174 T CA 1.510 63.633 62.100 0.038 0.000 1.146 174 T CB -0.286 68.551 68.868 -0.051 0.000 0.865 174 T HN 0.466 nan 8.240 nan 0.000 0.435 175 K N 0.852 120.979 120.400 -0.455 0.000 2.032 175 K HA -0.114 4.208 4.320 0.002 0.000 0.209 175 K C 2.473 178.950 176.600 -0.206 0.000 1.048 175 K CA 1.391 57.310 56.287 -0.613 0.000 0.927 175 K CB -0.069 32.095 32.500 -0.559 0.000 0.712 175 K HN 0.481 nan 8.250 nan 0.000 0.441 176 E N -0.129 120.022 120.200 -0.081 0.000 2.077 176 E HA -0.202 4.149 4.350 0.002 0.000 0.193 176 E C 1.904 178.522 176.600 0.029 0.000 0.989 176 E CA 0.960 57.349 56.400 -0.018 0.000 0.800 176 E CB -0.193 29.515 29.700 0.013 0.000 0.746 176 E HN 0.235 nan 8.360 nan 0.000 0.452 177 F N 0.905 120.850 119.950 -0.009 0.000 2.102 177 F HA -0.210 4.319 4.527 0.002 0.000 0.298 177 F C 1.897 177.669 175.800 -0.047 0.000 1.105 177 F CA 1.341 59.371 58.000 0.050 0.000 1.239 177 F CB -0.215 38.870 39.000 0.140 0.000 0.991 177 F HN -0.119 nan 8.300 nan 0.000 0.474 178 F N 0.464 120.283 119.950 -0.219 0.000 2.102 178 F HA -0.178 4.350 4.527 0.002 0.000 0.298 178 F C 2.622 177.930 175.800 -0.821 0.000 1.105 178 F CA 1.991 59.632 58.000 -0.600 0.000 1.239 178 F CB -1.359 37.300 39.000 -0.569 0.000 0.991 178 F HN -0.143 nan 8.300 nan 0.000 0.474 179 T N -0.111 114.205 114.554 -0.396 0.000 2.665 179 T HA -0.310 4.041 4.350 0.002 0.000 0.268 179 T C 1.969 176.529 174.700 -0.233 0.000 1.035 179 T CA 1.946 63.909 62.100 -0.228 0.000 1.151 179 T CB -0.398 68.436 68.868 -0.058 0.000 0.862 179 T HN 0.203 nan 8.240 nan 0.000 0.438 180 K N 0.360 120.595 120.400 -0.275 0.000 2.152 180 K HA -0.163 4.158 4.320 0.002 0.000 0.206 180 K C 1.410 177.692 176.600 -0.529 0.000 1.048 180 K CA 1.582 57.661 56.287 -0.346 0.000 0.933 180 K CB -0.186 32.106 32.500 -0.347 0.000 0.721 180 K HN 0.445 nan 8.250 nan 0.000 0.447 181 H N 0.294 118.966 119.070 -0.663 0.000 2.519 181 H HA 0.270 4.827 4.556 0.002 0.000 0.289 181 H C -0.578 174.385 175.328 -0.608 0.000 1.040 181 H CA 0.074 55.664 56.048 -0.763 0.000 1.165 181 H CB 0.365 29.305 29.762 -1.369 0.000 1.462 181 H HN 0.147 nan 8.280 nan 0.000 0.555 182 K N -0.000 120.230 120.400 -0.283 0.000 3.077 182 K HA -0.291 4.031 4.320 0.002 0.000 0.264 182 K C -0.833 175.823 176.600 0.093 0.000 1.008 182 K CA 0.596 56.871 56.287 -0.020 0.000 0.740 182 K CB -1.901 30.589 32.500 -0.017 0.000 1.273 182 K HN 0.533 nan 8.250 nan 0.000 0.477 183 Y N -2.152 118.011 120.300 -0.229 0.000 3.721 183 Y HA -0.322 4.229 4.550 0.002 0.000 0.218 183 Y C 0.574 176.506 175.900 0.054 0.000 1.188 183 Y CA 1.488 59.569 58.100 -0.033 0.000 1.607 183 Y CB -2.909 35.678 38.460 0.213 0.000 1.496 183 Y HN 0.443 nan 8.280 nan 0.000 0.626 184 F N -2.129 117.900 119.950 0.133 0.000 3.093 184 F HA -0.271 4.257 4.527 0.002 0.000 0.283 184 F C 1.660 177.553 175.800 0.154 0.000 0.848 184 F CA 1.713 59.784 58.000 0.119 0.000 1.059 184 F CB -1.476 37.590 39.000 0.110 0.000 1.191 184 F HN 0.586 nan 8.300 nan 0.000 0.514 185 G N -1.127 107.825 108.800 0.253 0.000 2.195 185 G HA2 -0.263 3.698 3.960 0.002 0.000 0.224 185 G HA3 -0.263 3.698 3.960 0.002 0.000 0.224 185 G C 0.199 175.224 174.900 0.208 0.000 0.990 185 G CA -0.082 45.140 45.100 0.203 0.000 0.639 185 G HN 0.426 nan 8.290 nan 0.000 0.514 186 L N 0.459 121.857 121.223 0.292 0.000 2.469 186 L HA 0.530 4.872 4.340 0.002 0.000 0.253 186 L C 0.818 177.795 176.870 0.179 0.000 1.143 186 L CA -0.864 54.129 54.840 0.255 0.000 0.804 186 L CB 0.595 42.881 42.059 0.379 0.000 1.214 186 L HN -0.047 nan 8.230 nan 0.000 0.476 187 K N 0.985 121.441 120.400 0.093 0.000 2.234 187 K HA 0.098 4.419 4.320 0.002 0.000 0.282 187 K C 0.569 177.083 176.600 -0.143 0.000 1.039 187 K CA -0.399 55.877 56.287 -0.019 0.000 0.928 187 K CB 1.630 34.121 32.500 -0.014 0.000 1.039 187 K HN 0.433 nan 8.250 nan 0.000 0.470 188 K N 3.477 123.638 120.400 -0.397 0.000 2.113 188 K HA -0.215 4.106 4.320 0.002 0.000 0.208 188 K C 1.285 177.690 176.600 -0.326 0.000 1.047 188 K CA 1.886 57.722 56.287 -0.751 0.000 0.928 188 K CB 0.215 32.209 32.500 -0.844 0.000 0.716 188 K HN 0.653 nan 8.250 nan 0.000 0.446 189 E N -0.130 119.959 120.200 -0.186 0.000 2.472 189 E HA -0.146 4.205 4.350 0.002 0.000 0.200 189 E C 0.266 176.808 176.600 -0.096 0.000 1.046 189 E CA 0.691 57.024 56.400 -0.111 0.000 0.871 189 E CB -0.108 29.550 29.700 -0.071 0.000 0.806 189 E HN 0.334 nan 8.360 nan 0.000 0.533 190 N N 0.757 119.406 118.700 -0.085 0.000 2.234 190 N HA 0.135 4.876 4.740 0.002 0.000 0.227 190 N C -0.884 174.589 175.510 -0.062 0.000 1.151 190 N CA 0.014 53.028 53.050 -0.061 0.000 0.865 190 N CB 1.666 40.156 38.487 0.005 0.000 1.066 190 N HN -0.050 nan 8.380 nan 0.000 0.515 191 V N 1.907 121.745 119.914 -0.126 0.000 2.407 191 V HA 0.453 4.574 4.120 0.002 0.000 0.291 191 V C -0.554 175.283 176.094 -0.428 0.000 1.018 191 V CA -0.723 61.425 62.300 -0.253 0.000 0.842 191 V CB 1.666 33.415 31.823 -0.123 0.000 0.996 191 V HN -0.085 nan 8.190 nan 0.000 0.426 192 I N 5.603 125.862 120.570 -0.517 0.000 2.390 192 I HA 0.463 4.634 4.170 0.002 0.000 0.283 192 I C -0.394 175.583 176.117 -0.233 0.000 1.016 192 I CA -0.037 61.074 61.300 -0.315 0.000 1.151 192 I CB 0.860 38.703 38.000 -0.263 0.000 1.293 192 I HN 0.320 nan 8.210 nan 0.000 0.458 193 F N 7.050 127.009 119.950 0.016 0.000 2.396 193 F HA 0.634 5.163 4.527 0.002 0.000 0.343 193 F C 0.119 176.045 175.800 0.209 0.000 1.104 193 F CA -0.417 57.589 58.000 0.009 0.000 1.161 193 F CB 0.773 39.703 39.000 -0.116 0.000 1.146 193 F HN 0.348 nan 8.300 nan 0.000 0.522 194 F N 0.246 120.277 119.950 0.136 0.000 2.619 194 F HA 0.523 5.051 4.527 0.002 0.000 0.308 194 F C -1.249 174.590 175.800 0.064 0.000 1.097 194 F CA -1.179 56.876 58.000 0.090 0.000 0.953 194 F CB 1.455 40.500 39.000 0.075 0.000 1.287 194 F HN 0.400 nan 8.300 nan 0.000 0.446 195 Q N 2.837 122.655 119.800 0.031 0.000 2.245 195 Q HA 0.358 4.699 4.340 0.002 0.000 0.256 195 Q C -0.806 175.167 176.000 -0.045 0.000 0.942 195 Q CA -0.871 54.886 55.803 -0.076 0.000 0.896 195 Q CB 1.917 30.653 28.738 -0.003 0.000 1.272 195 Q HN 0.861 nan 8.270 nan 0.000 0.442 196 Q N 1.325 121.065 119.800 -0.100 0.000 2.199 196 Q HA 0.626 4.967 4.340 0.002 0.000 0.232 196 Q C 0.057 176.060 176.000 0.006 0.000 0.969 196 Q CA -0.837 54.947 55.803 -0.033 0.000 0.925 196 Q CB 0.720 29.418 28.738 -0.068 0.000 1.198 196 Q HN 0.633 nan 8.270 nan 0.000 0.494 197 G N 0.715 109.534 108.800 0.032 0.000 2.599 197 G HA2 0.465 4.426 3.960 0.002 0.000 0.264 197 G HA3 0.465 4.426 3.960 0.002 0.000 0.264 197 G C -0.419 174.503 174.900 0.037 0.000 1.200 197 G CA -0.759 44.367 45.100 0.043 0.000 0.896 197 G HN 0.492 nan 8.290 nan 0.000 0.536 198 M N -0.201 119.422 119.600 0.039 0.000 2.662 198 M HA 0.563 5.044 4.480 0.002 0.000 0.310 198 M C -0.770 175.558 176.300 0.047 0.000 1.204 198 M CA -0.483 54.838 55.300 0.034 0.000 0.891 198 M CB 1.893 34.507 32.600 0.022 0.000 1.732 198 M HN 0.239 nan 8.290 nan 0.000 0.467 199 L N 2.633 123.882 121.223 0.043 0.000 2.409 199 L HA 0.608 4.949 4.340 0.002 0.000 0.262 199 L C -2.347 174.544 176.870 0.036 0.000 0.992 199 L CA -1.720 53.150 54.840 0.049 0.000 0.817 199 L CB 3.111 45.195 42.059 0.043 0.000 1.350 199 L HN 0.401 nan 8.230 nan 0.000 0.411 200 P HA 0.238 nan 4.420 nan 0.000 0.282 200 P C -0.961 176.359 177.300 0.033 0.000 1.249 200 P CA -0.399 62.724 63.100 0.038 0.000 0.806 200 P CB 1.510 33.239 31.700 0.047 0.000 0.984 201 A N 3.916 126.751 122.820 0.025 0.000 2.407 201 A HA 0.525 4.847 4.320 0.002 0.000 0.248 201 A C 0.215 177.791 177.584 -0.013 0.000 1.082 201 A CA -0.057 51.983 52.037 0.005 0.000 0.785 201 A CB -0.261 18.738 19.000 -0.003 0.000 1.020 201 A HN 0.573 nan 8.150 nan 0.000 0.489 202 M N 1.842 121.418 119.600 -0.041 0.000 2.393 202 M HA 0.303 4.784 4.480 0.002 0.000 0.299 202 M C 0.277 176.463 176.300 -0.190 0.000 1.103 202 M CA -0.423 54.820 55.300 -0.095 0.000 0.910 202 M CB 2.534 35.098 32.600 -0.060 0.000 1.659 202 M HN 0.871 nan 8.290 nan 0.000 0.445 203 S N 0.921 116.464 115.700 -0.262 0.000 2.634 203 S HA 0.367 4.839 4.470 0.002 0.000 0.261 203 S C 0.665 175.097 174.600 -0.279 0.000 1.271 203 S CA -0.469 57.502 58.200 -0.381 0.000 0.985 203 S CB 0.288 63.303 63.200 -0.308 0.000 0.968 203 S HN 0.625 nan 8.310 nan 0.000 0.568 204 F N 1.168 121.105 119.950 -0.022 0.000 2.333 204 F HA -0.072 4.456 4.527 0.002 0.000 0.300 204 F C 2.045 177.883 175.800 0.064 0.000 1.083 204 F CA 0.945 58.965 58.000 0.032 0.000 1.395 204 F CB -0.380 38.598 39.000 -0.037 0.000 1.056 204 F HN 0.647 nan 8.300 nan 0.000 0.529 205 D N -1.011 119.430 120.400 0.069 0.000 2.349 205 D HA 0.123 4.764 4.640 0.002 0.000 0.215 205 D C 1.808 177.999 176.300 -0.183 0.000 1.016 205 D CA 0.908 54.900 54.000 -0.012 0.000 0.870 205 D CB -0.108 40.651 40.800 -0.069 0.000 0.917 205 D HN 0.272 nan 8.370 nan 0.000 0.524 206 G N -0.114 108.381 108.800 -0.508 0.000 2.176 206 G HA2 -0.264 3.698 3.960 0.002 0.000 0.232 206 G HA3 -0.264 3.698 3.960 0.002 0.000 0.232 206 G C 0.055 174.568 174.900 -0.644 0.000 0.986 206 G CA -0.116 44.280 45.100 -1.173 0.000 0.643 206 G HN 0.422 nan 8.290 nan 0.000 0.522 207 K N 0.363 120.519 120.400 -0.407 0.000 2.205 207 K HA 0.595 4.916 4.320 0.002 0.000 0.279 207 K C 0.745 177.281 176.600 -0.107 0.000 1.027 207 K CA -0.696 55.431 56.287 -0.268 0.000 0.932 207 K CB 1.351 33.538 32.500 -0.521 0.000 1.032 207 K HN 0.258 nan 8.250 nan 0.000 0.466 208 I N 3.746 124.377 120.570 0.101 0.000 2.692 208 I HA -0.009 4.162 4.170 0.002 0.000 0.284 208 I C 0.357 176.584 176.117 0.183 0.000 1.159 208 I CA 0.144 61.513 61.300 0.115 0.000 1.423 208 I CB 0.372 38.459 38.000 0.144 0.000 1.380 208 I HN 0.365 nan 8.210 nan 0.000 0.580 209 I N 6.759 127.381 120.570 0.087 0.000 2.353 209 I HA 0.245 4.416 4.170 0.002 0.000 0.293 209 I C -0.192 176.001 176.117 0.127 0.000 0.992 209 I CA -0.484 60.873 61.300 0.094 0.000 1.268 209 I CB 1.008 39.019 38.000 0.019 0.000 1.387 209 I HN 0.332 nan 8.210 nan 0.000 0.478 210 L N 6.114 127.444 121.223 0.178 0.000 2.292 210 L HA 0.218 4.559 4.340 0.002 0.000 0.284 210 L C 1.360 178.325 176.870 0.159 0.000 1.065 210 L CA 0.053 54.993 54.840 0.167 0.000 0.806 210 L CB 1.403 43.599 42.059 0.228 0.000 1.175 210 L HN 0.708 nan 8.230 nan 0.000 0.431 211 E N 2.005 122.268 120.200 0.104 0.000 2.076 211 E HA -0.019 4.332 4.350 0.002 0.000 0.190 211 E C 0.029 176.644 176.600 0.024 0.000 0.979 211 E CA 0.775 57.222 56.400 0.077 0.000 0.807 211 E CB 0.621 30.352 29.700 0.051 0.000 0.761 211 E HN 0.548 nan 8.360 nan 0.000 0.454 212 E N -0.624 119.576 120.200 0.001 0.000 2.410 212 E HA 0.194 4.545 4.350 0.002 0.000 0.269 212 E C 0.191 176.724 176.600 -0.112 0.000 0.937 212 E CA -0.572 55.781 56.400 -0.078 0.000 0.793 212 E CB 1.312 30.973 29.700 -0.066 0.000 1.314 212 E HN -0.039 nan 8.360 nan 0.000 0.447 213 K N 0.769 120.989 120.400 -0.301 0.000 2.211 213 K HA -0.135 4.186 4.320 0.002 0.000 0.204 213 K C 1.024 177.604 176.600 -0.034 0.000 1.047 213 K CA 1.455 57.483 56.287 -0.431 0.000 0.935 213 K CB 0.012 32.100 32.500 -0.686 0.000 0.728 213 K HN 0.352 nan 8.250 nan 0.000 0.452 214 N N 0.339 119.023 118.700 -0.028 0.000 2.282 214 N HA 0.043 4.784 4.740 0.002 0.000 0.240 214 N C -0.800 174.744 175.510 0.057 0.000 1.182 214 N CA -0.180 52.897 53.050 0.045 0.000 0.874 214 N CB 0.670 39.160 38.487 0.005 0.000 1.126 214 N HN -0.132 nan 8.380 nan 0.000 0.516 215 K N 0.361 120.792 120.400 0.053 0.000 2.581 215 K HA 0.339 4.660 4.320 0.002 0.000 0.249 215 K C -1.425 175.216 176.600 0.067 0.000 0.966 215 K CA -0.533 55.786 56.287 0.054 0.000 0.811 215 K CB 1.953 34.470 32.500 0.028 0.000 1.223 215 K HN -0.128 nan 8.250 nan 0.000 0.438 216 V N 2.793 122.750 119.914 0.072 0.000 2.637 216 V HA 0.170 4.291 4.120 0.002 0.000 0.296 216 V C 0.312 176.442 176.094 0.061 0.000 1.046 216 V CA -0.388 61.957 62.300 0.075 0.000 1.066 216 V CB 1.452 33.320 31.823 0.075 0.000 0.968 216 V HN 0.842 nan 8.190 nan 0.000 0.483 217 S N 6.557 122.296 115.700 0.065 0.000 2.443 217 S HA 0.356 4.827 4.470 0.002 0.000 0.284 217 S C -0.259 174.367 174.600 0.043 0.000 1.206 217 S CA -0.512 57.720 58.200 0.054 0.000 1.074 217 S CB -0.438 62.798 63.200 0.059 0.000 0.963 217 S HN 0.528 nan 8.310 nan 0.000 0.501 218 M N 3.520 123.141 119.600 0.036 0.000 2.602 218 M HA 0.758 5.240 4.480 0.002 0.000 0.312 218 M C -0.263 176.053 176.300 0.027 0.000 1.181 218 M CA -0.708 54.610 55.300 0.030 0.000 0.910 218 M CB 1.571 34.186 32.600 0.026 0.000 1.723 218 M HN 0.661 nan 8.290 nan 0.000 0.459 219 A N 2.201 125.036 122.820 0.026 0.000 2.606 219 A HA 0.907 5.228 4.320 0.002 0.000 0.293 219 A C -2.890 174.709 177.584 0.025 0.000 1.082 219 A CA -1.377 50.674 52.037 0.025 0.000 0.685 219 A CB 1.393 20.410 19.000 0.028 0.000 1.284 219 A HN 0.484 nan 8.150 nan 0.000 0.408 220 P HA 0.118 nan 4.420 nan 0.000 0.268 220 P C -0.418 176.902 177.300 0.032 0.000 1.208 220 P CA 0.291 63.402 63.100 0.019 0.000 0.777 220 P CB 0.435 32.139 31.700 0.007 0.000 0.875 221 D N 0.971 121.393 120.400 0.037 0.000 2.400 221 D HA 0.220 4.861 4.640 0.002 0.000 0.243 221 D C 0.752 177.091 176.300 0.064 0.000 1.184 221 D CA -0.187 53.846 54.000 0.056 0.000 0.853 221 D CB -0.921 39.926 40.800 0.078 0.000 0.944 221 D HN 0.576 nan 8.370 nan 0.000 0.501 222 G N 1.306 110.143 108.800 0.061 0.000 2.690 222 G HA2 -0.240 3.721 3.960 0.002 0.000 0.686 222 G HA3 -0.240 3.721 3.960 0.002 0.000 0.686 222 G C 0.456 175.384 174.900 0.048 0.000 1.277 222 G CA -0.281 44.873 45.100 0.090 0.000 0.799 222 G HN 0.298 nan 8.290 nan 0.000 0.613 223 N N -0.158 118.568 118.700 0.044 0.000 2.520 223 N HA 0.067 4.808 4.740 0.002 0.000 0.185 223 N C 2.071 177.553 175.510 -0.046 0.000 1.068 223 N CA 2.134 55.174 53.050 -0.017 0.000 0.911 223 N CB -0.333 38.137 38.487 -0.029 0.000 0.961 223 N HN 1.305 nan 8.380 nan 0.000 0.446 224 G N -0.393 108.411 108.800 0.008 0.000 2.744 224 G HA2 0.008 3.969 3.960 0.002 0.000 0.211 224 G HA3 0.008 3.969 3.960 0.002 0.000 0.211 224 G C 1.325 176.215 174.900 -0.017 0.000 1.143 224 G CA 0.293 45.410 45.100 0.029 0.000 0.788 224 G HN 0.476 nan 8.290 nan 0.000 0.534 225 G N 0.802 109.587 108.800 -0.026 0.000 2.708 225 G HA2 -0.045 3.916 3.960 0.002 0.000 0.210 225 G HA3 -0.045 3.916 3.960 0.002 0.000 0.210 225 G C 1.560 176.420 174.900 -0.068 0.000 1.141 225 G CA 0.653 45.747 45.100 -0.011 0.000 0.788 225 G HN 0.426 nan 8.290 nan 0.000 0.531 226 L N -0.474 120.618 121.223 -0.218 0.000 2.079 226 L HA -0.073 4.268 4.340 0.002 0.000 0.210 226 L C 2.444 179.136 176.870 -0.297 0.000 1.081 226 L CA 1.656 56.323 54.840 -0.288 0.000 0.752 226 L CB -0.557 41.173 42.059 -0.547 0.000 0.896 226 L HN 0.368 nan 8.230 nan 0.000 0.433 227 Y N -0.668 119.656 120.300 0.041 0.000 2.220 227 Y HA -0.055 4.496 4.550 0.002 0.000 0.291 227 Y C 2.677 178.579 175.900 0.003 0.000 1.129 227 Y CA 1.108 59.201 58.100 -0.011 0.000 1.161 227 Y CB -0.338 38.086 38.460 -0.060 0.000 0.997 227 Y HN 0.051 nan 8.280 nan 0.000 0.522 228 R N -0.003 120.569 120.500 0.121 0.000 2.148 228 R HA -0.030 4.311 4.340 0.002 0.000 0.223 228 R C 2.348 178.702 176.300 0.090 0.000 1.088 228 R CA 0.844 57.000 56.100 0.094 0.000 0.985 228 R CB -0.383 29.977 30.300 0.100 0.000 0.880 228 R HN 0.344 nan 8.270 nan 0.000 0.451 229 A N 1.221 124.108 122.820 0.112 0.000 1.929 229 A HA -0.070 4.251 4.320 0.002 0.000 0.216 229 A C 2.169 179.865 177.584 0.188 0.000 1.176 229 A CA 0.835 52.992 52.037 0.201 0.000 0.628 229 A CB -0.357 18.807 19.000 0.273 0.000 0.816 229 A HN 0.144 nan 8.150 nan 0.000 0.444 230 L N -0.779 120.491 121.223 0.077 0.000 2.046 230 L HA -0.189 4.152 4.340 0.002 0.000 0.208 230 L C 3.073 179.891 176.870 -0.087 0.000 1.077 230 L CA 1.100 55.859 54.840 -0.134 0.000 0.747 230 L CB -0.526 41.451 42.059 -0.137 0.000 0.896 230 L HN 0.439 nan 8.230 nan 0.000 0.432 231 A N -0.027 122.782 122.820 -0.018 0.000 1.898 231 A HA -0.086 4.236 4.320 0.002 0.000 0.216 231 A C 2.498 180.079 177.584 -0.006 0.000 1.181 231 A CA 1.436 53.461 52.037 -0.020 0.000 0.620 231 A CB -0.633 18.365 19.000 -0.003 0.000 0.819 231 A HN 0.375 nan 8.150 nan 0.000 0.442 232 A N -1.316 121.520 122.820 0.027 0.000 2.070 232 A HA -0.106 4.215 4.320 0.002 0.000 0.220 232 A C 1.785 179.390 177.584 0.035 0.000 1.159 232 A CA 1.638 53.698 52.037 0.038 0.000 0.656 232 A CB -0.252 18.787 19.000 0.066 0.000 0.800 232 A HN 0.593 nan 8.150 nan 0.000 0.453 233 Q N -0.741 119.070 119.800 0.019 0.000 2.135 233 Q HA 0.163 4.505 4.340 0.002 0.000 0.231 233 Q C -0.523 175.452 176.000 -0.043 0.000 0.817 233 Q CA -0.359 55.452 55.803 0.012 0.000 1.073 233 Q CB 0.491 29.269 28.738 0.067 0.000 1.176 233 Q HN 0.575 nan 8.270 nan 0.000 0.478 234 N N 0.701 119.368 118.700 -0.054 0.000 2.710 234 N HA -0.219 4.522 4.740 0.002 0.000 0.249 234 N C 0.477 175.924 175.510 -0.105 0.000 1.059 234 N CA 0.641 53.651 53.050 -0.065 0.000 0.720 234 N CB -0.592 37.876 38.487 -0.033 0.000 0.983 234 N HN 0.385 nan 8.380 nan 0.000 0.544 235 I N -0.517 119.934 120.570 -0.197 0.000 2.315 235 I HA -0.153 4.019 4.170 0.002 0.000 0.248 235 I C 2.368 178.329 176.117 -0.259 0.000 1.117 235 I CA 0.861 61.984 61.300 -0.295 0.000 1.404 235 I CB -0.787 36.840 38.000 -0.622 0.000 1.071 235 I HN 0.050 nan 8.210 nan 0.000 0.419 236 V N 0.996 120.783 119.914 -0.212 0.000 2.427 236 V HA -0.223 3.898 4.120 0.002 0.000 0.248 236 V C 2.479 178.512 176.094 -0.101 0.000 1.051 236 V CA 1.532 63.731 62.300 -0.169 0.000 1.048 236 V CB -0.677 31.065 31.823 -0.134 0.000 0.666 236 V HN 0.297 nan 8.190 nan 0.000 0.456 237 E N 0.246 120.401 120.200 -0.075 0.000 2.077 237 E HA -0.236 4.116 4.350 0.002 0.000 0.193 237 E C 1.893 178.485 176.600 -0.014 0.000 0.989 237 E CA 1.620 57.998 56.400 -0.037 0.000 0.800 237 E CB -0.418 29.265 29.700 -0.029 0.000 0.746 237 E HN 0.736 nan 8.360 nan 0.000 0.452 238 D N -0.535 119.858 120.400 -0.011 0.000 2.117 238 D HA -0.149 4.492 4.640 0.002 0.000 0.197 238 D C 1.783 178.134 176.300 0.085 0.000 0.987 238 D CA 1.295 55.326 54.000 0.052 0.000 0.829 238 D CB 0.054 40.922 40.800 0.112 0.000 0.961 238 D HN 0.094 nan 8.370 nan 0.000 0.460 239 M N -0.015 119.601 119.600 0.027 0.000 2.117 239 M HA -0.134 4.347 4.480 0.002 0.000 0.262 239 M C 2.136 178.463 176.300 0.044 0.000 1.065 239 M CA 1.429 56.753 55.300 0.039 0.000 1.114 239 M CB -0.240 32.292 32.600 -0.113 0.000 1.361 239 M HN 0.065 nan 8.290 nan 0.000 0.408 240 E N -0.066 120.143 120.200 0.015 0.000 2.077 240 E HA -0.235 4.116 4.350 0.002 0.000 0.193 240 E C 2.117 178.743 176.600 0.043 0.000 0.989 240 E CA 1.004 57.423 56.400 0.031 0.000 0.800 240 E CB -0.261 29.448 29.700 0.014 0.000 0.746 240 E HN 0.460 nan 8.360 nan 0.000 0.452 241 Q N 1.175 120.998 119.800 0.038 0.000 2.170 241 Q HA -0.163 4.178 4.340 0.002 0.000 0.203 241 Q C 1.704 177.732 176.000 0.047 0.000 0.976 241 Q CA 1.264 57.089 55.803 0.038 0.000 0.858 241 Q CB 0.074 28.831 28.738 0.031 0.000 0.907 241 Q HN 0.213 nan 8.270 nan 0.000 0.433 242 R N -1.081 119.459 120.500 0.065 0.000 2.299 242 R HA 0.053 4.394 4.340 0.002 0.000 0.197 242 R C 1.022 177.362 176.300 0.067 0.000 0.971 242 R CA 0.552 56.693 56.100 0.068 0.000 1.030 242 R CB 0.142 30.500 30.300 0.098 0.000 0.932 242 R HN 0.420 nan 8.270 nan 0.000 0.477 243 G N 1.539 110.382 108.800 0.070 0.000 2.160 243 G HA2 -0.216 3.745 3.960 0.002 0.000 0.244 243 G HA3 -0.216 3.745 3.960 0.002 0.000 0.244 243 G C 0.089 175.052 174.900 0.106 0.000 1.022 243 G CA -0.302 44.844 45.100 0.077 0.000 0.741 243 G HN 0.124 nan 8.290 nan 0.000 0.508 244 I N -0.207 120.432 120.570 0.114 0.000 2.519 244 I HA 0.223 4.395 4.170 0.002 0.000 0.287 244 I C 1.224 177.446 176.117 0.175 0.000 1.047 244 I CA -0.596 60.785 61.300 0.134 0.000 1.381 244 I CB 1.023 39.094 38.000 0.118 0.000 1.417 244 I HN 0.396 nan 8.210 nan 0.000 0.540 245 W N 5.023 126.332 121.300 0.015 0.000 2.798 245 W HA 0.159 4.820 4.660 0.002 0.000 0.260 245 W C -0.264 176.241 176.519 -0.023 0.000 1.165 245 W CA 0.144 57.496 57.345 0.012 0.000 1.501 245 W CB 0.721 30.197 29.460 0.026 0.000 1.023 245 W HN 0.377 nan 8.180 nan 0.000 0.615 246 S N 2.233 117.927 115.700 -0.011 0.000 2.472 246 S HA 0.521 4.992 4.470 0.002 0.000 0.303 246 S C -0.543 173.965 174.600 -0.154 0.000 1.099 246 S CA -0.500 57.555 58.200 -0.241 0.000 1.077 246 S CB 2.046 65.285 63.200 0.066 0.000 1.031 246 S HN -0.035 nan 8.310 nan 0.000 0.487 247 I N 2.779 123.190 120.570 -0.265 0.000 2.436 247 I HA 0.259 4.431 4.170 0.002 0.000 0.289 247 I C 0.039 176.190 176.117 0.056 0.000 1.010 247 I CA -0.388 60.901 61.300 -0.018 0.000 1.098 247 I CB 1.379 39.405 38.000 0.044 0.000 1.266 247 I HN 0.781 nan 8.210 nan 0.000 0.434 248 H N 6.023 125.161 119.070 0.114 0.000 2.640 248 H HA 0.520 5.077 4.556 0.002 0.000 0.297 248 H C -1.297 174.217 175.328 0.311 0.000 1.073 248 H CA -0.541 55.635 56.048 0.213 0.000 1.305 248 H CB 1.340 31.256 29.762 0.257 0.000 1.404 248 H HN 0.332 nan 8.280 nan 0.000 0.459 249 V N 7.537 127.582 119.914 0.218 0.000 2.439 249 V HA 0.207 4.328 4.120 0.002 0.000 0.282 249 V C -0.706 175.414 176.094 0.043 0.000 1.039 249 V CA -0.293 62.091 62.300 0.140 0.000 0.913 249 V CB 0.579 32.535 31.823 0.221 0.000 0.983 249 V HN 0.732 nan 8.190 nan 0.000 0.460 250 Y N 2.621 122.843 120.300 -0.131 0.000 2.638 250 Y HA 0.697 5.249 4.550 0.002 0.000 0.335 250 Y C -0.510 175.388 175.900 -0.003 0.000 1.155 250 Y CA -1.391 56.631 58.100 -0.131 0.000 1.046 250 Y CB 1.012 39.317 38.460 -0.259 0.000 1.303 250 Y HN 0.616 nan 8.280 nan 0.000 0.460 251 C N 2.594 121.915 119.300 0.035 0.000 2.452 251 C HA 0.377 4.838 4.460 0.002 0.000 0.379 251 C C 1.712 176.742 174.990 0.066 0.000 1.275 251 C CA 0.062 59.084 59.018 0.005 0.000 2.056 251 C CB 0.586 28.374 27.740 0.081 0.000 2.506 251 C HN 0.967 nan 8.230 nan 0.000 0.560 252 V N 4.330 124.235 119.914 -0.014 0.000 2.759 252 V HA -0.089 4.032 4.120 0.002 0.000 0.256 252 V C 1.869 177.988 176.094 0.042 0.000 1.080 252 V CA 2.720 65.044 62.300 0.040 0.000 1.101 252 V CB -0.455 31.343 31.823 -0.042 0.000 0.698 252 V HN 1.050 nan 8.190 nan 0.000 0.477 253 D N -0.560 119.852 120.400 0.020 0.000 2.349 253 D HA -0.026 4.615 4.640 0.002 0.000 0.224 253 D C 0.639 176.927 176.300 -0.020 0.000 1.029 253 D CA 0.045 54.029 54.000 -0.026 0.000 0.879 253 D CB -0.591 40.177 40.800 -0.054 0.000 0.906 253 D HN 0.492 nan 8.370 nan 0.000 0.528 254 N N 0.658 119.388 118.700 0.050 0.000 2.485 254 N HA 0.096 4.837 4.740 0.002 0.000 0.243 254 N C 0.396 175.920 175.510 0.023 0.000 0.987 254 N CA -0.649 52.419 53.050 0.031 0.000 0.940 254 N CB 0.707 39.284 38.487 0.150 0.000 1.122 254 N HN 0.005 nan 8.380 nan 0.000 0.509 255 I N 3.824 124.371 120.570 -0.038 0.000 2.530 255 I HA -0.101 4.070 4.170 0.002 0.000 0.257 255 I C 1.129 177.220 176.117 -0.043 0.000 1.179 255 I CA 1.356 62.630 61.300 -0.043 0.000 1.440 255 I CB 0.145 38.094 38.000 -0.085 0.000 1.087 255 I HN 0.674 nan 8.210 nan 0.000 0.440 256 L N -0.593 120.611 121.223 -0.032 0.000 2.607 256 L HA 0.195 4.536 4.340 0.002 0.000 0.228 256 L C 0.839 177.722 176.870 0.022 0.000 1.123 256 L CA -0.352 54.477 54.840 -0.018 0.000 0.890 256 L CB -0.184 41.867 42.059 -0.014 0.000 1.103 256 L HN -0.072 nan 8.230 nan 0.000 0.468 257 V N 2.291 122.233 119.914 0.047 0.000 2.557 257 V HA -0.099 4.022 4.120 0.002 0.000 0.301 257 V C 0.622 176.710 176.094 -0.010 0.000 1.026 257 V CA 0.205 62.537 62.300 0.054 0.000 1.137 257 V CB 0.293 32.164 31.823 0.079 0.000 0.917 257 V HN 0.307 nan 8.190 nan 0.000 0.484 258 K N 6.435 126.857 120.400 0.035 0.000 2.150 258 K HA 0.291 4.612 4.320 0.002 0.000 0.261 258 K C -0.414 176.291 176.600 0.174 0.000 1.127 258 K CA -0.394 55.922 56.287 0.048 0.000 0.989 258 K CB 0.646 33.216 32.500 0.117 0.000 1.475 258 K HN 0.634 nan 8.250 nan 0.000 0.391 259 V N 2.170 122.114 119.914 0.051 0.000 2.599 259 V HA -0.058 4.063 4.120 0.002 0.000 0.300 259 V C 1.152 177.377 176.094 0.219 0.000 1.034 259 V CA 0.595 62.868 62.300 -0.045 0.000 1.115 259 V CB 0.440 32.084 31.823 -0.299 0.000 0.934 259 V HN 0.965 nan 8.190 nan 0.000 0.485 260 A N 3.725 126.784 122.820 0.398 0.000 2.799 260 A HA -0.212 4.109 4.320 0.002 0.000 0.287 260 A C 0.646 178.291 177.584 0.103 0.000 1.484 260 A CA 0.884 53.056 52.037 0.224 0.000 0.813 260 A CB -1.876 17.199 19.000 0.125 0.000 1.009 260 A HN 1.151 nan 8.150 nan 0.000 0.545 261 D N -0.052 120.417 120.400 0.113 0.000 2.554 261 D HA 0.111 4.753 4.640 0.002 0.000 0.251 261 D C -0.046 176.304 176.300 0.083 0.000 1.213 261 D CA -0.477 53.628 54.000 0.176 0.000 0.900 261 D CB 0.678 41.590 40.800 0.187 0.000 1.135 261 D HN 0.370 nan 8.370 nan 0.000 0.522 262 P HA -0.139 nan 4.420 nan 0.000 0.220 262 P C 1.110 178.454 177.300 0.073 0.000 1.148 262 P CA 0.896 64.022 63.100 0.044 0.000 0.803 262 P CB 0.350 32.066 31.700 0.025 0.000 0.782 263 R N -1.337 119.234 120.500 0.119 0.000 2.062 263 R HA -0.067 4.275 4.340 0.002 0.000 0.229 263 R C 2.392 178.628 176.300 -0.107 0.000 1.128 263 R CA 1.094 57.277 56.100 0.139 0.000 0.960 263 R CB -0.993 29.463 30.300 0.261 0.000 0.855 263 R HN 0.141 nan 8.270 nan 0.000 0.432 264 F N 1.718 121.451 119.950 -0.361 0.000 2.113 264 F HA -0.088 4.440 4.527 0.002 0.000 0.297 264 F C 1.913 177.441 175.800 -0.453 0.000 1.103 264 F CA 1.110 58.708 58.000 -0.668 0.000 1.248 264 F CB -0.359 38.428 39.000 -0.356 0.000 0.999 264 F HN -0.124 nan 8.300 nan 0.000 0.475 265 I N 0.152 120.515 120.570 -0.345 0.000 2.226 265 I HA -0.233 3.938 4.170 0.002 0.000 0.245 265 I C 2.732 178.650 176.117 -0.331 0.000 1.100 265 I CA 1.503 62.596 61.300 -0.345 0.000 1.374 265 I CB -1.241 36.741 38.000 -0.030 0.000 1.057 265 I HN 0.290 nan 8.210 nan 0.000 0.413 266 G N 0.451 109.149 108.800 -0.170 0.000 2.422 266 G HA2 -0.308 3.653 3.960 0.002 0.000 0.218 266 G HA3 -0.308 3.653 3.960 0.002 0.000 0.218 266 G C 1.591 176.316 174.900 -0.292 0.000 1.146 266 G CA 0.492 45.539 45.100 -0.088 0.000 0.769 266 G HN 0.363 nan 8.290 nan 0.000 0.547 267 F N 1.421 120.920 119.950 -0.752 0.000 2.069 267 F HA -0.155 4.373 4.527 0.002 0.000 0.298 267 F C 2.680 177.923 175.800 -0.929 0.000 1.113 267 F CA 1.631 58.830 58.000 -1.335 0.000 1.214 267 F CB -0.635 37.403 39.000 -1.604 0.000 0.978 267 F HN 0.191 nan 8.300 nan 0.000 0.474 268 C N 0.894 119.582 119.300 -1.020 0.000 2.429 268 C HA -0.166 4.295 4.460 0.002 0.000 0.277 268 C C 2.851 177.334 174.990 -0.845 0.000 1.262 268 C CA 0.665 58.953 59.018 -1.217 0.000 1.733 268 C CB -1.282 25.229 27.740 -2.048 0.000 2.010 268 C HN 0.527 nan 8.230 nan 0.000 0.483 269 I N 1.009 121.222 120.570 -0.596 0.000 2.179 269 I HA -0.236 3.936 4.170 0.002 0.000 0.242 269 I C 2.689 178.674 176.117 -0.219 0.000 1.088 269 I CA 1.701 62.870 61.300 -0.218 0.000 1.357 269 I CB -1.605 36.359 38.000 -0.061 0.000 1.051 269 I HN 0.544 nan 8.210 nan 0.000 0.409 270 Q N 0.968 120.610 119.800 -0.263 0.000 2.170 270 Q HA -0.202 4.139 4.340 0.002 0.000 0.203 270 Q C 1.649 177.508 176.000 -0.235 0.000 0.976 270 Q CA 1.294 56.998 55.803 -0.165 0.000 0.858 270 Q CB 0.167 28.904 28.738 -0.003 0.000 0.907 270 Q HN 0.298 nan 8.270 nan 0.000 0.433 271 K N -0.563 119.564 120.400 -0.454 0.000 2.487 271 K HA 0.063 4.384 4.320 0.002 0.000 0.192 271 K C 0.912 177.351 176.600 -0.268 0.000 1.027 271 K CA 0.796 56.829 56.287 -0.423 0.000 1.054 271 K CB 0.241 32.299 32.500 -0.736 0.000 0.824 271 K HN 0.424 nan 8.250 nan 0.000 0.510 272 G N 1.497 110.172 108.800 -0.208 0.000 2.176 272 G HA2 -0.296 3.665 3.960 0.002 0.000 0.252 272 G HA3 -0.296 3.665 3.960 0.002 0.000 0.252 272 G C 0.257 175.120 174.900 -0.062 0.000 1.024 272 G CA 0.365 45.414 45.100 -0.085 0.000 0.755 272 G HN 0.507 nan 8.290 nan 0.000 0.507 273 A N -0.042 122.687 122.820 -0.152 0.000 2.371 273 A HA 0.600 4.921 4.320 0.002 0.000 0.257 273 A C 1.242 178.893 177.584 0.113 0.000 1.089 273 A CA 0.618 52.588 52.037 -0.111 0.000 0.794 273 A CB 0.458 19.272 19.000 -0.310 0.000 1.029 273 A HN 0.686 nan 8.150 nan 0.000 0.488 274 D N -0.731 119.702 120.400 0.055 0.000 2.407 274 D HA 0.126 4.768 4.640 0.002 0.000 0.208 274 D C 0.037 176.410 176.300 0.121 0.000 1.083 274 D CA 0.064 54.106 54.000 0.069 0.000 0.844 274 D CB -0.106 40.616 40.800 -0.131 0.000 0.967 274 D HN 0.360 nan 8.370 nan 0.000 0.506 275 C N 0.181 119.565 119.300 0.140 0.000 2.811 275 C HA 0.809 5.270 4.460 0.002 0.000 0.352 275 C C -0.507 174.509 174.990 0.044 0.000 1.098 275 C CA -0.045 59.162 59.018 0.315 0.000 1.295 275 C CB 0.935 28.839 27.740 0.274 0.000 1.758 275 C HN 0.396 nan 8.230 nan 0.000 0.488 276 G N 2.760 111.606 108.800 0.077 0.000 2.659 276 G HA2 0.885 4.847 3.960 0.002 0.000 0.296 276 G HA3 0.885 4.847 3.960 0.002 0.000 0.296 276 G C -1.405 173.546 174.900 0.085 0.000 1.369 276 G CA 0.072 45.053 45.100 -0.198 0.000 0.937 276 G HN 1.554 nan 8.290 nan 0.000 0.485 277 A N 1.156 123.954 122.820 -0.038 0.000 2.356 277 A HA 0.779 5.101 4.320 0.002 0.000 0.310 277 A C -0.241 177.392 177.584 0.083 0.000 1.075 277 A CA -0.733 51.435 52.037 0.219 0.000 0.746 277 A CB 1.609 20.733 19.000 0.207 0.000 1.221 277 A HN 0.697 nan 8.150 nan 0.000 0.443 278 K N 1.791 122.119 120.400 -0.120 0.000 2.172 278 K HA 0.633 4.954 4.320 0.002 0.000 0.276 278 K C -0.461 176.028 176.600 -0.184 0.000 1.013 278 K CA -0.331 55.714 56.287 -0.403 0.000 0.913 278 K CB 1.005 33.022 32.500 -0.806 0.000 1.055 278 K HN 0.859 nan 8.250 nan 0.000 0.461 279 V N 0.897 120.694 119.914 -0.195 0.000 3.130 279 V HA 0.748 4.869 4.120 0.002 0.000 0.310 279 V C -0.693 175.279 176.094 -0.204 0.000 1.158 279 V CA -0.909 61.290 62.300 -0.169 0.000 1.029 279 V CB 1.512 33.285 31.823 -0.084 0.000 1.057 279 V HN 0.585 nan 8.190 nan 0.000 0.436 280 V N -1.184 118.611 119.914 -0.199 0.000 3.001 280 V HA 0.691 4.812 4.120 0.002 0.000 0.314 280 V C -0.143 175.897 176.094 -0.090 0.000 1.099 280 V CA -0.703 61.511 62.300 -0.144 0.000 0.989 280 V CB 1.684 33.437 31.823 -0.116 0.000 1.040 280 V HN 1.225 nan 8.190 nan 0.000 0.434 281 E N 1.926 122.092 120.200 -0.057 0.000 2.351 281 E HA 0.163 4.514 4.350 0.002 0.000 0.266 281 E C -0.181 176.415 176.600 -0.007 0.000 1.031 281 E CA -0.282 56.099 56.400 -0.031 0.000 0.911 281 E CB 0.661 30.345 29.700 -0.026 0.000 0.986 281 E HN 0.718 nan 8.360 nan 0.000 0.446 282 K N 3.424 123.827 120.400 0.004 0.000 2.297 282 K HA 0.081 4.402 4.320 0.002 0.000 0.286 282 K C 0.445 177.059 176.600 0.024 0.000 1.053 282 K CA 0.234 56.535 56.287 0.023 0.000 0.940 282 K CB 0.781 33.304 32.500 0.038 0.000 1.019 282 K HN 0.695 nan 8.250 nan 0.000 0.475 283 T N -0.150 114.418 114.554 0.024 0.000 2.964 283 T HA 0.046 4.397 4.350 0.002 0.000 0.249 283 T C 0.378 175.090 174.700 0.019 0.000 1.000 283 T CA -0.233 61.878 62.100 0.018 0.000 0.992 283 T CB -0.015 68.861 68.868 0.012 0.000 1.087 283 T HN 0.468 nan 8.240 nan 0.000 0.489 284 N N 2.592 121.305 118.700 0.021 0.000 2.437 284 N HA 0.392 5.133 4.740 0.002 0.000 0.259 284 N C -2.248 173.277 175.510 0.025 0.000 0.983 284 N CA -2.554 50.506 53.050 0.018 0.000 0.937 284 N CB 1.913 40.406 38.487 0.009 0.000 1.122 284 N HN -0.127 nan 8.380 nan 0.000 0.499 285 P HA -0.131 nan 4.420 nan 0.000 0.217 285 P C 0.559 177.881 177.300 0.038 0.000 1.148 285 P CA 1.684 64.809 63.100 0.041 0.000 0.834 285 P CB 0.116 31.840 31.700 0.039 0.000 0.783 286 T N -4.382 110.187 114.554 0.024 0.000 3.206 286 T HA 0.108 4.459 4.350 0.002 0.000 0.253 286 T C 0.455 175.154 174.700 -0.002 0.000 1.042 286 T CA -0.450 61.662 62.100 0.020 0.000 0.931 286 T CB -0.701 68.176 68.868 0.015 0.000 1.029 286 T HN 0.109 nan 8.240 nan 0.000 0.564 287 E N 3.329 123.528 120.200 -0.002 0.000 2.415 287 E HA 0.085 4.436 4.350 0.002 0.000 0.263 287 E C -1.992 174.559 176.600 -0.082 0.000 0.995 287 E CA -1.972 54.411 56.400 -0.029 0.000 0.915 287 E CB 0.705 30.409 29.700 0.007 0.000 0.951 287 E HN 0.176 nan 8.360 nan 0.000 0.449 288 P HA 0.044 nan 4.420 nan 0.000 0.230 288 P C -0.837 176.151 177.300 -0.520 0.000 1.791 288 P CA -0.004 62.725 63.100 -0.618 0.000 1.020 288 P CB -0.355 30.808 31.700 -0.896 0.000 1.977 289 V N -1.122 118.746 119.914 -0.078 0.000 2.735 289 V HA 0.868 4.989 4.120 0.002 0.000 0.310 289 V C 0.448 176.656 176.094 0.191 0.000 1.061 289 V CA -1.055 61.296 62.300 0.085 0.000 0.913 289 V CB 1.667 33.508 31.823 0.031 0.000 1.005 289 V HN 0.272 nan 8.190 nan 0.000 0.428 290 G N 1.704 110.609 108.800 0.175 0.000 2.569 290 G HA2 0.543 4.504 3.960 0.002 0.000 0.249 290 G HA3 0.543 4.504 3.960 0.002 0.000 0.249 290 G C -0.175 174.707 174.900 -0.029 0.000 1.216 290 G CA 0.103 45.211 45.100 0.012 0.000 0.845 290 G HN 1.858 nan 8.290 nan 0.000 0.568 291 V N -0.391 119.490 119.914 -0.054 0.000 2.555 291 V HA 0.662 4.783 4.120 0.002 0.000 0.302 291 V C 0.084 176.184 176.094 0.010 0.000 1.038 291 V CA -1.125 61.181 62.300 0.011 0.000 0.887 291 V CB 1.427 33.292 31.823 0.069 0.000 0.991 291 V HN 0.520 nan 8.190 nan 0.000 0.434 292 V N 4.608 124.581 119.914 0.098 0.000 2.583 292 V HA 0.615 4.736 4.120 0.002 0.000 0.287 292 V C 0.645 176.875 176.094 0.227 0.000 1.051 292 V CA 0.510 62.920 62.300 0.182 0.000 1.010 292 V CB 0.323 32.316 31.823 0.283 0.000 0.988 292 V HN 1.454 nan 8.190 nan 0.000 0.478 293 C N 3.811 123.245 119.300 0.224 0.000 3.263 293 C HA 0.908 5.369 4.460 0.002 0.000 0.369 293 C C -0.873 174.220 174.990 0.173 0.000 1.634 293 C CA -1.246 57.921 59.018 0.248 0.000 1.143 293 C CB 1.999 29.878 27.740 0.231 0.000 1.910 293 C HN 1.018 nan 8.230 nan 0.000 0.425 294 R N 0.248 120.790 120.500 0.070 0.000 2.698 294 R HA 0.885 5.226 4.340 0.002 0.000 0.275 294 R C -1.849 174.396 176.300 -0.091 0.000 1.001 294 R CA -0.664 55.357 56.100 -0.131 0.000 0.896 294 R CB 1.935 31.986 30.300 -0.414 0.000 1.218 294 R HN 1.474 nan 8.270 nan 0.000 0.462 295 V N 2.319 122.155 119.914 -0.130 0.000 2.577 295 V HA 0.310 4.431 4.120 0.002 0.000 0.303 295 V C -0.868 175.160 176.094 -0.110 0.000 1.042 295 V CA -0.296 61.950 62.300 -0.090 0.000 0.872 295 V CB 1.399 33.175 31.823 -0.079 0.000 0.998 295 V HN 0.945 nan 8.190 nan 0.000 0.423 296 D N 4.800 125.150 120.400 -0.084 0.000 2.723 296 D HA -0.176 4.465 4.640 0.002 0.000 0.236 296 D C 1.184 177.418 176.300 -0.111 0.000 1.138 296 D CA 1.837 55.790 54.000 -0.079 0.000 0.676 296 D CB -1.269 39.492 40.800 -0.064 0.000 1.069 296 D HN 1.811 nan 8.370 nan 0.000 0.430 297 G N -1.643 107.065 108.800 -0.153 0.000 2.189 297 G HA2 -0.277 3.685 3.960 0.002 0.000 0.267 297 G HA3 -0.277 3.685 3.960 0.002 0.000 0.267 297 G C 0.371 175.069 174.900 -0.337 0.000 0.975 297 G CA 0.706 45.676 45.100 -0.215 0.000 0.644 297 G HN 1.156 nan 8.290 nan 0.000 0.537 298 V N 0.533 120.261 119.914 -0.311 0.000 2.459 298 V HA 0.763 4.884 4.120 0.002 0.000 0.295 298 V C 0.218 176.089 176.094 -0.371 0.000 1.029 298 V CA -1.663 60.448 62.300 -0.314 0.000 0.874 298 V CB 0.767 32.473 31.823 -0.195 0.000 0.985 298 V HN 0.268 nan 8.190 nan 0.000 0.438 299 Y N 6.406 126.589 120.300 -0.195 0.000 2.411 299 Y HA 0.495 5.046 4.550 0.002 0.000 0.333 299 Y C 0.851 176.596 175.900 -0.258 0.000 1.186 299 Y CA 0.422 58.343 58.100 -0.298 0.000 1.381 299 Y CB 0.766 38.802 38.460 -0.706 0.000 1.273 299 Y HN 0.810 nan 8.280 nan 0.000 0.546 300 Q N -0.743 119.059 119.800 0.004 0.000 2.782 300 Q HA 0.727 5.068 4.340 0.002 0.000 0.308 300 Q C -2.298 173.696 176.000 -0.010 0.000 0.883 300 Q CA -1.167 54.633 55.803 -0.006 0.000 0.755 300 Q CB 1.795 30.494 28.738 -0.064 0.000 1.454 300 Q HN 0.367 nan 8.270 nan 0.000 0.452 301 V N 1.020 120.805 119.914 -0.214 0.000 2.540 301 V HA 0.427 4.548 4.120 0.002 0.000 0.302 301 V C -0.638 175.238 176.094 -0.364 0.000 1.035 301 V CA -0.759 61.280 62.300 -0.434 0.000 0.873 301 V CB 1.831 32.905 31.823 -1.248 0.000 0.992 301 V HN 0.583 nan 8.190 nan 0.000 0.428 302 V N 3.809 123.580 119.914 -0.240 0.000 2.364 302 V HA 0.316 4.437 4.120 0.002 0.000 0.272 302 V C 0.290 176.284 176.094 -0.166 0.000 1.036 302 V CA -0.486 61.723 62.300 -0.153 0.000 0.880 302 V CB 1.378 33.104 31.823 -0.162 0.000 0.991 302 V HN 0.966 nan 8.190 nan 0.000 0.460 303 E N 3.492 123.625 120.200 -0.112 0.000 2.404 303 E HA 0.027 4.379 4.350 0.002 0.000 0.261 303 E C 0.755 177.266 176.600 -0.148 0.000 1.074 303 E CA 0.087 56.392 56.400 -0.158 0.000 0.917 303 E CB 0.469 30.092 29.700 -0.128 0.000 0.965 303 E HN 0.634 nan 8.360 nan 0.000 0.433 304 Y N 1.029 121.315 120.300 -0.024 0.000 2.315 304 Y HA -0.099 4.452 4.550 0.002 0.000 0.288 304 Y C 1.577 177.482 175.900 0.008 0.000 1.154 304 Y CA 1.047 59.140 58.100 -0.011 0.000 1.229 304 Y CB -0.719 37.740 38.460 -0.001 0.000 0.980 304 Y HN 0.325 nan 8.280 nan 0.000 0.540 305 S N -0.569 114.914 115.700 -0.362 0.000 2.603 305 S HA 0.059 4.531 4.470 0.002 0.000 0.220 305 S C 0.908 175.471 174.600 -0.062 0.000 0.967 305 S CA 0.419 58.539 58.200 -0.133 0.000 0.920 305 S CB -0.206 62.854 63.200 -0.233 0.000 0.773 305 S HN 0.682 nan 8.310 nan 0.000 0.529 306 E N 0.237 120.400 120.200 -0.062 0.000 2.562 306 E HA 0.396 4.747 4.350 0.002 0.000 0.214 306 E C -0.138 176.436 176.600 -0.043 0.000 0.979 306 E CA -0.222 56.156 56.400 -0.036 0.000 1.002 306 E CB 0.684 30.384 29.700 0.000 0.000 1.048 306 E HN 0.521 nan 8.360 nan 0.000 0.488 307 I N 1.746 122.295 120.570 -0.034 0.000 2.488 307 I HA 0.160 4.331 4.170 0.002 0.000 0.299 307 I C 0.227 176.328 176.117 -0.027 0.000 0.984 307 I CA -0.539 60.729 61.300 -0.052 0.000 1.250 307 I CB 1.100 39.065 38.000 -0.058 0.000 1.389 307 I HN -0.034 nan 8.210 nan 0.000 0.488 308 S N 6.049 121.727 115.700 -0.037 0.000 2.601 308 S HA 0.131 4.602 4.470 0.002 0.000 0.271 308 S C 0.788 175.389 174.600 0.003 0.000 1.305 308 S CA -0.695 57.496 58.200 -0.015 0.000 1.022 308 S CB 1.620 64.809 63.200 -0.018 0.000 0.940 308 S HN 0.721 nan 8.310 nan 0.000 0.525 309 L N 2.524 123.755 121.223 0.014 0.000 2.042 309 L HA 0.032 4.374 4.340 0.002 0.000 0.210 309 L C 2.611 179.499 176.870 0.029 0.000 1.076 309 L CA 2.431 57.285 54.840 0.024 0.000 0.749 309 L CB -1.551 40.522 42.059 0.022 0.000 0.893 309 L HN 0.970 nan 8.230 nan 0.000 0.432 310 A N -1.705 121.129 122.820 0.025 0.000 1.908 310 A HA -0.227 4.094 4.320 0.002 0.000 0.218 310 A C 2.274 179.891 177.584 0.056 0.000 1.181 310 A CA 2.402 54.460 52.037 0.034 0.000 0.627 310 A CB -1.206 17.810 19.000 0.027 0.000 0.818 310 A HN 0.514 nan 8.150 nan 0.000 0.445 311 T N 0.236 114.817 114.554 0.045 0.000 2.737 311 T HA 0.004 4.355 4.350 0.002 0.000 0.265 311 T C 2.240 177.018 174.700 0.129 0.000 1.038 311 T CA 1.575 63.718 62.100 0.072 0.000 1.144 311 T CB -0.489 68.345 68.868 -0.056 0.000 0.866 311 T HN 0.607 nan 8.240 nan 0.000 0.434 312 A N 1.309 124.174 122.820 0.074 0.000 1.978 312 A HA -0.153 4.168 4.320 0.002 0.000 0.220 312 A C 2.171 179.817 177.584 0.104 0.000 1.170 312 A CA 1.398 53.490 52.037 0.093 0.000 0.636 312 A CB -0.513 18.522 19.000 0.059 0.000 0.810 312 A HN 0.563 nan 8.150 nan 0.000 0.448 313 Q N -0.634 119.215 119.800 0.082 0.000 2.408 313 Q HA 0.088 4.429 4.340 0.002 0.000 0.205 313 Q C 0.068 176.108 176.000 0.065 0.000 0.919 313 Q CA -0.086 55.755 55.803 0.064 0.000 0.932 313 Q CB 0.140 28.905 28.738 0.044 0.000 1.058 313 Q HN 0.494 nan 8.270 nan 0.000 0.517 314 K N 1.669 122.125 120.400 0.094 0.000 2.511 314 K HA 0.041 4.362 4.320 0.002 0.000 0.280 314 K C -0.251 176.371 176.600 0.036 0.000 1.008 314 K CA 0.641 56.975 56.287 0.077 0.000 1.050 314 K CB 0.468 33.046 32.500 0.130 0.000 0.889 314 K HN 0.015 nan 8.250 nan 0.000 0.484 315 R N 1.105 121.609 120.500 0.007 0.000 2.711 315 R HA 0.210 4.551 4.340 0.002 0.000 0.284 315 R C -0.186 176.092 176.300 -0.038 0.000 0.968 315 R CA -0.611 55.480 56.100 -0.016 0.000 0.924 315 R CB 1.879 32.176 30.300 -0.005 0.000 1.162 315 R HN 0.756 nan 8.270 nan 0.000 0.465 316 S N 0.027 115.693 115.700 -0.056 0.000 2.686 316 S HA 0.051 4.522 4.470 0.002 0.000 0.270 316 S C 1.295 175.873 174.600 -0.037 0.000 1.194 316 S CA -0.277 57.887 58.200 -0.061 0.000 0.990 316 S CB 1.368 64.520 63.200 -0.080 0.000 1.029 316 S HN 0.697 nan 8.310 nan 0.000 0.560 317 S N 0.324 116.004 115.700 -0.033 0.000 2.419 317 S HA -0.181 4.290 4.470 0.002 0.000 0.233 317 S C 1.055 175.644 174.600 -0.018 0.000 1.016 317 S CA 1.211 59.398 58.200 -0.022 0.000 0.974 317 S CB -1.074 62.115 63.200 -0.019 0.000 0.786 317 S HN 0.893 nan 8.310 nan 0.000 0.492 318 D N 0.368 120.755 120.400 -0.022 0.000 2.363 318 D HA 0.288 4.929 4.640 0.002 0.000 0.226 318 D C 1.453 177.743 176.300 -0.016 0.000 1.020 318 D CA 0.653 54.642 54.000 -0.018 0.000 0.892 318 D CB -0.659 40.130 40.800 -0.019 0.000 0.900 318 D HN 0.594 nan 8.370 nan 0.000 0.531 319 G N -0.182 108.608 108.800 -0.017 0.000 2.213 319 G HA2 -0.304 3.658 3.960 0.002 0.000 0.236 319 G HA3 -0.304 3.658 3.960 0.002 0.000 0.236 319 G C 0.425 175.317 174.900 -0.013 0.000 0.991 319 G CA -0.113 44.979 45.100 -0.012 0.000 0.629 319 G HN 0.459 nan 8.290 nan 0.000 0.517 320 R N -0.026 120.463 120.500 -0.020 0.000 2.637 320 R HA 0.622 4.963 4.340 0.002 0.000 0.269 320 R C 0.840 177.126 176.300 -0.024 0.000 1.089 320 R CA -0.635 55.453 56.100 -0.020 0.000 1.177 320 R CB 0.576 30.860 30.300 -0.027 0.000 1.091 320 R HN 0.232 nan 8.270 nan 0.000 0.540 321 L N 2.343 123.559 121.223 -0.012 0.000 2.456 321 L HA -0.075 4.266 4.340 0.002 0.000 0.272 321 L C 1.623 178.459 176.870 -0.057 0.000 1.189 321 L CA -0.101 54.737 54.840 -0.003 0.000 0.846 321 L CB 0.341 42.422 42.059 0.036 0.000 1.111 321 L HN 0.595 nan 8.230 nan 0.000 0.475 322 L N 3.669 124.826 121.223 -0.110 0.000 2.046 322 L HA -0.069 4.272 4.340 0.002 0.000 0.208 322 L C 0.491 177.047 176.870 -0.523 0.000 1.077 322 L CA 1.711 56.354 54.840 -0.328 0.000 0.747 322 L CB -0.177 41.629 42.059 -0.421 0.000 0.896 322 L HN 0.320 nan 8.230 nan 0.000 0.432 323 F N 1.148 121.106 119.950 0.013 0.000 2.291 323 F HA 0.294 4.823 4.527 0.002 0.000 0.368 323 F C 0.833 176.640 175.800 0.011 0.000 1.085 323 F CA -0.617 57.392 58.000 0.015 0.000 1.165 323 F CB 0.030 39.038 39.000 0.015 0.000 1.429 323 F HN 0.194 nan 8.300 nan 0.000 0.503 324 N N 1.188 119.940 118.700 0.087 0.000 2.177 324 N HA 0.161 4.903 4.740 0.002 0.000 0.218 324 N C -0.052 175.482 175.510 0.039 0.000 1.182 324 N CA -0.148 52.934 53.050 0.053 0.000 0.882 324 N CB 0.490 38.981 38.487 0.007 0.000 1.052 324 N HN 0.278 nan 8.380 nan 0.000 0.519 325 A N 0.675 123.536 122.820 0.067 0.000 2.798 325 A HA 0.644 4.965 4.320 0.002 0.000 0.316 325 A C 0.688 178.291 177.584 0.031 0.000 1.506 325 A CA -0.456 51.605 52.037 0.040 0.000 1.162 325 A CB -0.818 18.229 19.000 0.079 0.000 1.138 325 A HN 0.293 nan 8.150 nan 0.000 0.532 326 G N 1.897 110.687 108.800 -0.017 0.000 2.360 326 G HA2 0.299 4.260 3.960 0.002 0.000 0.279 326 G HA3 0.299 4.260 3.960 0.002 0.000 0.279 326 G C 0.144 174.983 174.900 -0.101 0.000 1.189 326 G CA -0.451 44.621 45.100 -0.046 0.000 0.941 326 G HN 0.722 nan 8.290 nan 0.000 0.445 327 N N 1.813 120.486 118.700 -0.046 0.000 2.440 327 N HA 0.003 4.744 4.740 0.002 0.000 0.265 327 N C 1.189 176.615 175.510 -0.139 0.000 1.239 327 N CA -0.202 52.846 53.050 -0.004 0.000 0.909 327 N CB 0.348 38.871 38.487 0.059 0.000 1.066 327 N HN 0.518 nan 8.380 nan 0.000 0.474 328 I N 1.108 121.552 120.570 -0.211 0.000 3.889 328 I HA 0.441 4.612 4.170 0.002 0.000 0.332 328 I C 0.660 176.723 176.117 -0.090 0.000 1.493 328 I CA -0.527 60.527 61.300 -0.409 0.000 1.158 328 I CB -0.291 37.259 38.000 -0.750 0.000 1.117 328 I HN 0.485 nan 8.210 nan 0.000 0.411 329 A N 1.508 124.339 122.820 0.018 0.000 2.791 329 A HA -0.250 4.071 4.320 0.002 0.000 0.292 329 A C -0.389 177.053 177.584 -0.238 0.000 1.487 329 A CA 0.808 52.800 52.037 -0.075 0.000 0.760 329 A CB -2.663 16.371 19.000 0.056 0.000 1.031 329 A HN 0.792 nan 8.150 nan 0.000 0.503 330 N N -0.272 118.295 118.700 -0.221 0.000 2.491 330 N HA 0.482 5.223 4.740 0.002 0.000 0.274 330 N C -0.790 174.803 175.510 0.138 0.000 1.023 330 N CA -0.307 52.758 53.050 0.025 0.000 0.902 330 N CB 1.107 39.672 38.487 0.131 0.000 1.267 330 N HN 0.711 nan 8.380 nan 0.000 0.503 331 H N 0.489 119.815 119.070 0.426 0.000 2.797 331 H HA 0.405 4.962 4.556 0.002 0.000 0.372 331 H C -1.262 174.233 175.328 0.278 0.000 1.168 331 H CA -0.815 55.418 56.048 0.309 0.000 1.163 331 H CB 2.412 32.145 29.762 -0.047 0.000 1.778 331 H HN 0.389 nan 8.280 nan 0.000 0.551 332 F N 2.510 122.485 119.950 0.041 0.000 2.467 332 F HA 0.514 5.042 4.527 0.002 0.000 0.336 332 F C -1.855 173.878 175.800 -0.112 0.000 1.123 332 F CA -0.602 57.296 58.000 -0.170 0.000 0.964 332 F CB 0.645 39.325 39.000 -0.534 0.000 1.136 332 F HN 0.382 nan 8.300 nan 0.000 0.447 333 F N 3.413 123.163 119.950 -0.332 0.000 2.551 333 F HA 0.425 4.953 4.527 0.002 0.000 0.316 333 F C 0.235 175.686 175.800 -0.581 0.000 1.089 333 F CA -1.165 56.746 58.000 -0.148 0.000 0.915 333 F CB 2.460 41.539 39.000 0.132 0.000 1.186 333 F HN 0.535 nan 8.300 nan 0.000 0.456 334 T N -1.229 113.177 114.554 -0.247 0.000 2.899 334 T HA 0.273 4.624 4.350 0.002 0.000 0.284 334 T C 0.834 175.284 174.700 -0.417 0.000 1.004 334 T CA -0.755 60.945 62.100 -0.667 0.000 1.043 334 T CB 1.715 70.015 68.868 -0.946 0.000 1.013 334 T HN 0.344 nan 8.240 nan 0.000 0.518 335 V N 2.257 121.843 119.914 -0.547 0.000 2.427 335 V HA -0.012 4.109 4.120 0.002 0.000 0.248 335 V C -0.635 175.335 176.094 -0.207 0.000 1.051 335 V CA 1.277 63.405 62.300 -0.287 0.000 1.048 335 V CB -1.440 30.261 31.823 -0.203 0.000 0.666 335 V HN 0.759 nan 8.190 nan 0.000 0.456 336 P HA -0.145 nan 4.420 nan 0.000 0.218 336 P C 1.652 178.969 177.300 0.028 0.000 1.149 336 P CA 1.145 64.198 63.100 -0.077 0.000 0.817 336 P CB -0.078 31.601 31.700 -0.034 0.000 0.785 337 F N 0.175 120.036 119.950 -0.148 0.000 2.146 337 F HA -0.091 4.437 4.527 0.002 0.000 0.298 337 F C 1.850 177.599 175.800 -0.084 0.000 1.096 337 F CA 1.252 59.214 58.000 -0.063 0.000 1.275 337 F CB -1.073 37.903 39.000 -0.041 0.000 1.008 337 F HN -0.242 nan 8.300 nan 0.000 0.480 338 L N 0.066 121.142 121.223 -0.244 0.000 2.131 338 L HA -0.191 4.151 4.340 0.002 0.000 0.210 338 L C 2.737 179.470 176.870 -0.228 0.000 1.092 338 L CA 1.480 56.121 54.840 -0.331 0.000 0.759 338 L CB -0.590 41.362 42.059 -0.179 0.000 0.903 338 L HN 0.134 nan 8.230 nan 0.000 0.435 339 R N 0.185 120.594 120.500 -0.151 0.000 2.081 339 R HA -0.184 4.157 4.340 0.002 0.000 0.235 339 R C 1.747 177.961 176.300 -0.144 0.000 1.131 339 R CA 1.894 57.921 56.100 -0.121 0.000 0.960 339 R CB -0.113 30.138 30.300 -0.081 0.000 0.856 339 R HN 0.274 nan 8.270 nan 0.000 0.436 340 D N -0.043 120.279 120.400 -0.130 0.000 2.144 340 D HA -0.106 4.535 4.640 0.002 0.000 0.200 340 D C 1.952 178.088 176.300 -0.274 0.000 0.978 340 D CA 1.036 54.924 54.000 -0.186 0.000 0.833 340 D CB -0.059 40.732 40.800 -0.016 0.000 0.961 340 D HN 0.095 nan 8.370 nan 0.000 0.470 341 V N 0.535 120.300 119.914 -0.247 0.000 2.295 341 V HA -0.195 3.926 4.120 0.002 0.000 0.246 341 V C 2.615 178.558 176.094 -0.252 0.000 1.049 341 V CA 1.046 63.172 62.300 -0.289 0.000 1.024 341 V CB -0.375 31.044 31.823 -0.673 0.000 0.648 341 V HN 0.061 nan 8.190 nan 0.000 0.447 342 V N 0.646 120.446 119.914 -0.191 0.000 2.427 342 V HA -0.215 3.906 4.120 0.002 0.000 0.248 342 V C 1.789 177.812 176.094 -0.117 0.000 1.051 342 V CA 2.399 64.639 62.300 -0.100 0.000 1.048 342 V CB -0.846 30.937 31.823 -0.067 0.000 0.666 342 V HN 0.645 nan 8.190 nan 0.000 0.456 343 N N -1.620 116.984 118.700 -0.161 0.000 2.299 343 N HA 0.119 4.860 4.740 0.002 0.000 0.187 343 N C 0.884 176.264 175.510 -0.217 0.000 1.099 343 N CA 0.281 53.237 53.050 -0.156 0.000 0.867 343 N CB 1.151 39.556 38.487 -0.137 0.000 0.974 343 N HN 0.313 nan 8.380 nan 0.000 0.477 344 V N -1.395 118.322 119.914 -0.328 0.000 3.279 344 V HA 0.067 4.189 4.120 0.002 0.000 0.213 344 V C 0.839 176.669 176.094 -0.441 0.000 1.335 344 V CA 0.260 62.288 62.300 -0.452 0.000 1.317 344 V CB -0.450 30.917 31.823 -0.759 0.000 1.209 344 V HN 0.090 nan 8.190 nan 0.000 0.525 345 Y N 0.666 120.736 120.300 -0.382 0.000 2.395 345 Y HA -0.020 4.531 4.550 0.002 0.000 0.293 345 Y C 2.637 178.301 175.900 -0.393 0.000 1.123 345 Y CA 0.958 58.711 58.100 -0.579 0.000 1.227 345 Y CB 0.085 37.953 38.460 -0.987 0.000 1.012 345 Y HN 0.217 nan 8.280 nan 0.000 0.552 346 E N 1.278 121.397 120.200 -0.136 0.000 2.108 346 E HA -0.235 4.116 4.350 0.002 0.000 0.203 346 E C -0.809 175.770 176.600 -0.035 0.000 1.022 346 E CA 1.812 58.165 56.400 -0.078 0.000 0.823 346 E CB -1.246 28.441 29.700 -0.022 0.000 0.744 346 E HN 0.334 nan 8.360 nan 0.000 0.456 347 P HA -0.096 nan 4.420 nan 0.000 0.225 347 P C 0.876 178.194 177.300 0.030 0.000 1.148 347 P CA 1.212 64.324 63.100 0.020 0.000 0.779 347 P CB -0.134 31.576 31.700 0.016 0.000 0.780 348 Q N -1.099 118.711 119.800 0.017 0.000 2.432 348 Q HA 0.077 4.418 4.340 0.002 0.000 0.205 348 Q C 0.397 176.450 176.000 0.090 0.000 0.945 348 Q CA 0.111 55.960 55.803 0.077 0.000 0.924 348 Q CB -0.141 28.671 28.738 0.123 0.000 1.016 348 Q HN 0.336 nan 8.270 nan 0.000 0.503 349 L N 2.143 123.386 121.223 0.034 0.000 2.360 349 L HA 0.082 4.423 4.340 0.002 0.000 0.276 349 L C 0.284 177.063 176.870 -0.152 0.000 1.121 349 L CA 0.025 54.858 54.840 -0.011 0.000 0.845 349 L CB 0.443 42.489 42.059 -0.021 0.000 1.143 349 L HN 0.094 nan 8.230 nan 0.000 0.452 350 Q N 2.135 121.829 119.800 -0.177 0.000 2.221 350 Q HA 0.319 4.660 4.340 0.002 0.000 0.242 350 Q C -0.695 175.061 176.000 -0.406 0.000 0.940 350 Q CA -0.850 54.781 55.803 -0.286 0.000 0.896 350 Q CB 1.467 30.051 28.738 -0.257 0.000 1.226 350 Q HN 0.438 nan 8.270 nan 0.000 0.463 351 H N 1.165 120.050 119.070 -0.309 0.000 2.646 351 H HA 0.153 4.711 4.556 0.002 0.000 0.325 351 H C -0.677 174.400 175.328 -0.419 0.000 1.075 351 H CA 0.004 55.862 56.048 -0.317 0.000 1.421 351 H CB 0.591 30.187 29.762 -0.277 0.000 1.461 351 H HN 0.482 nan 8.280 nan 0.000 0.525 352 H N 1.203 120.076 119.070 -0.329 0.000 2.562 352 H HA 0.238 4.795 4.556 0.002 0.000 0.314 352 H C -0.151 175.068 175.328 -0.182 0.000 1.079 352 H CA -0.359 55.464 56.048 -0.375 0.000 1.349 352 H CB 0.860 30.119 29.762 -0.838 0.000 1.432 352 H HN 0.219 nan 8.280 nan 0.000 0.479 353 V N 2.542 122.441 119.914 -0.024 0.000 2.472 353 V HA 0.655 4.776 4.120 0.002 0.000 0.290 353 V C 0.119 176.275 176.094 0.104 0.000 1.037 353 V CA -0.713 61.627 62.300 0.067 0.000 0.908 353 V CB 1.371 33.301 31.823 0.178 0.000 0.985 353 V HN 0.936 nan 8.190 nan 0.000 0.454 354 A N 4.252 127.155 122.820 0.138 0.000 2.355 354 A HA 0.705 5.027 4.320 0.002 0.000 0.317 354 A C -0.550 177.151 177.584 0.194 0.000 1.094 354 A CA -0.721 51.405 52.037 0.148 0.000 0.764 354 A CB 1.180 20.253 19.000 0.122 0.000 1.230 354 A HN 0.790 nan 8.150 nan 0.000 0.448 355 Q N 1.324 121.263 119.800 0.231 0.000 2.261 355 Q HA 0.491 4.833 4.340 0.002 0.000 0.252 355 Q C -0.665 175.444 176.000 0.182 0.000 0.915 355 Q CA 0.034 56.006 55.803 0.281 0.000 0.915 355 Q CB 1.561 30.515 28.738 0.359 0.000 1.204 355 Q HN 0.624 nan 8.270 nan 0.000 0.421 356 K N 1.215 121.695 120.400 0.133 0.000 2.495 356 K HA 0.384 4.706 4.320 0.002 0.000 0.268 356 K C -1.162 175.476 176.600 0.064 0.000 1.008 356 K CA -0.899 55.442 56.287 0.090 0.000 0.882 356 K CB 2.018 34.556 32.500 0.064 0.000 1.443 356 K HN 0.285 nan 8.250 nan 0.000 0.447 357 K N 2.007 122.447 120.400 0.067 0.000 2.268 357 K HA 0.359 4.681 4.320 0.002 0.000 0.276 357 K C -0.698 175.940 176.600 0.062 0.000 1.080 357 K CA -0.183 56.144 56.287 0.067 0.000 0.910 357 K CB 0.401 32.948 32.500 0.078 0.000 1.163 357 K HN 0.320 nan 8.250 nan 0.000 0.465 358 I N 6.094 126.696 120.570 0.052 0.000 2.330 358 I HA 0.209 4.380 4.170 0.002 0.000 0.289 358 I C -2.037 174.183 176.117 0.172 0.000 1.001 358 I CA -2.596 58.745 61.300 0.068 0.000 1.193 358 I CB 1.339 39.343 38.000 0.006 0.000 1.345 358 I HN 0.345 nan 8.210 nan 0.000 0.461 359 P HA 0.061 nan 4.420 nan 0.000 0.265 359 P C -1.414 176.026 177.300 0.234 0.000 1.193 359 P CA 0.384 63.582 63.100 0.163 0.000 0.765 359 P CB 0.204 31.941 31.700 0.062 0.000 0.823 360 Y N 0.234 120.541 120.300 0.012 0.000 2.655 360 Y HA 0.639 5.189 4.550 0.001 0.000 0.336 360 Y C -1.475 174.439 175.900 0.024 0.000 1.154 360 Y CA -1.674 56.440 58.100 0.023 0.000 1.055 360 Y CB 0.871 39.350 38.460 0.032 0.000 1.295 360 Y HN 0.227 nan 8.280 nan 0.000 0.465 361 V N 3.046 122.974 119.914 0.023 0.000 2.394 361 V HA 0.425 4.546 4.120 0.002 0.000 0.282 361 V C -0.834 175.338 176.094 0.129 0.000 1.031 361 V CA -0.350 61.906 62.300 -0.075 0.000 0.881 361 V CB 0.683 32.438 31.823 -0.114 0.000 0.982 361 V HN 0.941 nan 8.190 nan 0.000 0.451 362 D N 3.442 123.857 120.400 0.025 0.000 2.411 362 D HA 0.159 4.800 4.640 0.002 0.000 0.251 362 D C 1.283 177.775 176.300 0.320 0.000 1.201 362 D CA 0.333 54.470 54.000 0.230 0.000 0.996 362 D CB 0.846 41.725 40.800 0.132 0.000 1.101 362 D HN 0.636 nan 8.370 nan 0.000 0.504 363 T N -3.348 111.357 114.554 0.251 0.000 2.996 363 T HA -0.243 4.109 4.350 0.002 0.000 0.271 363 T C 1.348 176.168 174.700 0.200 0.000 1.126 363 T CA 1.405 63.614 62.100 0.181 0.000 1.103 363 T CB -0.274 68.638 68.868 0.073 0.000 0.870 363 T HN 0.418 nan 8.240 nan 0.000 0.528 364 Q N 1.140 121.054 119.800 0.191 0.000 2.360 364 Q HA 0.340 4.681 4.340 0.002 0.000 0.202 364 Q C 1.690 177.786 176.000 0.159 0.000 0.915 364 Q CA 0.826 56.716 55.803 0.144 0.000 0.943 364 Q CB -0.448 28.338 28.738 0.081 0.000 1.064 364 Q HN 0.645 nan 8.270 nan 0.000 0.511 365 G N 0.207 109.137 108.800 0.217 0.000 2.176 365 G HA2 -0.283 3.678 3.960 0.002 0.000 0.253 365 G HA3 -0.283 3.678 3.960 0.002 0.000 0.253 365 G C -0.303 174.548 174.900 -0.081 0.000 0.979 365 G CA 0.303 45.421 45.100 0.030 0.000 0.641 365 G HN 0.527 nan 8.290 nan 0.000 0.530 366 Q N 0.210 119.980 119.800 -0.051 0.000 2.222 366 Q HA 0.737 5.078 4.340 0.002 0.000 0.252 366 Q C 0.067 175.970 176.000 -0.162 0.000 0.926 366 Q CA -1.026 54.719 55.803 -0.095 0.000 0.899 366 Q CB 1.709 30.407 28.738 -0.067 0.000 1.250 366 Q HN 0.329 nan 8.270 nan 0.000 0.441 367 L N 3.173 124.298 121.223 -0.162 0.000 2.315 367 L HA 0.370 4.711 4.340 0.002 0.000 0.283 367 L C -0.208 176.520 176.870 -0.237 0.000 1.089 367 L CA -0.161 54.558 54.840 -0.201 0.000 0.833 367 L CB -0.105 41.873 42.059 -0.135 0.000 1.170 367 L HN 0.514 nan 8.230 nan 0.000 0.442 368 I N 3.403 123.722 120.570 -0.419 0.000 2.493 368 I HA 0.310 4.481 4.170 0.002 0.000 0.298 368 I C -0.165 175.827 176.117 -0.207 0.000 0.998 368 I CA -0.917 60.156 61.300 -0.378 0.000 1.137 368 I CB 1.897 39.520 38.000 -0.628 0.000 1.310 368 I HN 0.408 nan 8.210 nan 0.000 0.445 369 K N 6.552 126.918 120.400 -0.057 0.000 2.347 369 K HA 0.359 4.680 4.320 0.002 0.000 0.262 369 K C -2.327 174.328 176.600 0.090 0.000 1.052 369 K CA -1.729 54.575 56.287 0.029 0.000 0.946 369 K CB 0.533 33.042 32.500 0.015 0.000 1.220 369 K HN 0.257 nan 8.250 nan 0.000 0.450 370 P HA -0.006 nan 4.420 nan 0.000 0.265 370 P C -0.479 176.892 177.300 0.118 0.000 1.193 370 P CA 0.052 63.272 63.100 0.200 0.000 0.765 370 P CB 0.951 32.783 31.700 0.220 0.000 0.823 371 D N 1.549 122.011 120.400 0.103 0.000 2.333 371 D HA 0.023 4.664 4.640 0.002 0.000 0.208 371 D C 0.377 176.723 176.300 0.076 0.000 0.984 371 D CA 1.112 55.157 54.000 0.076 0.000 0.873 371 D CB 0.527 41.365 40.800 0.063 0.000 0.935 371 D HN 0.489 nan 8.370 nan 0.000 0.521 372 K N 0.764 121.218 120.400 0.091 0.000 2.426 372 K HA 0.428 4.750 4.320 0.002 0.000 0.251 372 K C -2.848 173.822 176.600 0.118 0.000 0.941 372 K CA -1.972 54.372 56.287 0.095 0.000 0.808 372 K CB 2.305 34.858 32.500 0.090 0.000 1.265 372 K HN -0.305 nan 8.250 nan 0.000 0.432 373 P HA -0.076 nan 4.420 nan 0.000 0.263 373 P C -0.308 177.127 177.300 0.224 0.000 1.175 373 P CA 0.298 63.510 63.100 0.186 0.000 0.761 373 P CB 0.347 32.204 31.700 0.261 0.000 0.794 374 N N 1.505 120.210 118.700 0.008 0.000 2.170 374 N HA 0.237 4.978 4.740 0.002 0.000 0.222 374 N C 0.387 175.462 175.510 -0.725 0.000 1.218 374 N CA -0.171 52.761 53.050 -0.196 0.000 0.889 374 N CB 0.813 39.148 38.487 -0.253 0.000 1.083 374 N HN 0.461 nan 8.380 nan 0.000 0.520 375 G N 0.393 108.694 108.800 -0.832 0.000 2.489 375 G HA2 0.522 4.483 3.960 0.002 0.000 0.305 375 G HA3 0.522 4.483 3.960 0.002 0.000 0.305 375 G C -1.762 172.871 174.900 -0.445 0.000 1.311 375 G CA -0.743 43.797 45.100 -0.932 0.000 0.813 375 G HN 0.272 nan 8.290 nan 0.000 0.480 376 I N -2.476 117.974 120.570 -0.201 0.000 3.002 376 I HA 0.875 5.046 4.170 0.002 0.000 0.310 376 I C -0.740 175.394 176.117 0.029 0.000 1.087 376 I CA -1.183 60.130 61.300 0.023 0.000 1.017 376 I CB 2.651 40.731 38.000 0.133 0.000 1.226 376 I HN 0.543 nan 8.210 nan 0.000 0.443 377 K N 4.808 125.244 120.400 0.059 0.000 2.345 377 K HA 0.601 4.922 4.320 0.002 0.000 0.255 377 K C -1.653 174.965 176.600 0.031 0.000 0.934 377 K CA -0.701 55.610 56.287 0.041 0.000 0.801 377 K CB 1.876 34.407 32.500 0.051 0.000 1.137 377 K HN 0.821 nan 8.250 nan 0.000 0.424 378 M N 3.887 123.473 119.600 -0.023 0.000 2.336 378 M HA 0.278 4.759 4.480 0.002 0.000 0.342 378 M C -0.704 175.572 176.300 -0.040 0.000 1.128 378 M CA -0.373 54.865 55.300 -0.103 0.000 1.016 378 M CB 1.777 34.163 32.600 -0.355 0.000 1.665 378 M HN 0.626 nan 8.290 nan 0.000 0.445 379 E N 1.991 122.213 120.200 0.036 0.000 2.372 379 E HA 0.507 4.859 4.350 0.002 0.000 0.279 379 E C -1.813 174.783 176.600 -0.008 0.000 0.946 379 E CA -1.176 55.270 56.400 0.076 0.000 0.769 379 E CB 2.180 31.933 29.700 0.090 0.000 1.230 379 E HN 0.488 nan 8.360 nan 0.000 0.442 380 K N 1.237 121.638 120.400 0.002 0.000 2.098 380 K HA 0.473 4.794 4.320 0.002 0.000 0.258 380 K C -1.003 175.602 176.600 0.009 0.000 0.973 380 K CA -0.764 55.465 56.287 -0.096 0.000 0.898 380 K CB 0.908 33.354 32.500 -0.090 0.000 1.057 380 K HN 0.274 nan 8.250 nan 0.000 0.447 381 F N 0.945 120.790 119.950 -0.174 0.000 2.443 381 F HA 0.151 4.679 4.527 0.002 0.000 0.335 381 F C 1.270 176.812 175.800 -0.431 0.000 1.104 381 F CA -1.430 56.259 58.000 -0.519 0.000 1.013 381 F CB 1.285 39.647 39.000 -1.065 0.000 1.136 381 F HN 0.243 nan 8.300 nan 0.000 0.470 382 V N 4.674 124.471 119.914 -0.194 0.000 2.490 382 V HA -0.268 3.853 4.120 0.002 0.000 0.250 382 V C 1.748 177.902 176.094 0.100 0.000 1.061 382 V CA 1.997 64.351 62.300 0.091 0.000 1.064 382 V CB -0.717 31.211 31.823 0.176 0.000 0.670 382 V HN 0.624 nan 8.190 nan 0.000 0.461 383 F N -0.740 119.209 119.950 -0.002 0.000 2.811 383 F HA 0.311 4.840 4.527 0.002 0.000 0.301 383 F C 1.404 176.820 175.800 -0.640 0.000 1.151 383 F CA -0.277 57.324 58.000 -0.665 0.000 1.412 383 F CB -1.221 37.233 39.000 -0.910 0.000 1.113 383 F HN 0.146 nan 8.300 nan 0.000 0.579 384 D N 1.698 122.090 120.400 -0.013 0.000 2.378 384 D HA -0.025 4.616 4.640 0.002 0.000 0.227 384 D C 2.093 178.370 176.300 -0.038 0.000 1.012 384 D CA 0.898 54.924 54.000 0.043 0.000 0.905 384 D CB -0.225 40.640 40.800 0.109 0.000 0.895 384 D HN 0.642 nan 8.370 nan 0.000 0.532 385 I N -3.807 116.753 120.570 -0.017 0.000 3.728 385 I HA 0.031 4.203 4.170 0.002 0.000 0.307 385 I C 1.293 177.584 176.117 0.290 0.000 1.276 385 I CA -0.034 61.312 61.300 0.077 0.000 1.285 385 I CB -0.144 37.718 38.000 -0.230 0.000 1.038 385 I HN -0.294 nan 8.210 nan 0.000 0.445 386 F N 3.168 123.169 119.950 0.084 0.000 2.161 386 F HA -0.212 4.316 4.527 0.002 0.000 0.300 386 F C 2.784 178.466 175.800 -0.197 0.000 1.089 386 F CA 1.547 59.545 58.000 -0.004 0.000 1.282 386 F CB -1.218 37.632 39.000 -0.250 0.000 1.010 386 F HN 0.428 nan 8.300 nan 0.000 0.485 387 Q N -0.786 118.907 119.800 -0.179 0.000 2.291 387 Q HA -0.199 4.143 4.340 0.002 0.000 0.206 387 Q C 1.548 177.258 176.000 -0.483 0.000 0.976 387 Q CA 1.748 57.300 55.803 -0.419 0.000 0.875 387 Q CB -0.978 27.356 28.738 -0.674 0.000 0.927 387 Q HN 0.402 nan 8.270 nan 0.000 0.450 388 F N 1.111 121.029 119.950 -0.052 0.000 2.776 388 F HA 0.374 4.902 4.527 0.002 0.000 0.300 388 F C 1.209 176.997 175.800 -0.021 0.000 1.116 388 F CA -0.467 57.412 58.000 -0.203 0.000 1.375 388 F CB 0.287 38.863 39.000 -0.707 0.000 1.109 388 F HN 0.051 nan 8.300 nan 0.000 0.585 389 A N 0.954 123.813 122.820 0.066 0.000 2.483 389 A HA 0.078 4.399 4.320 0.002 0.000 0.238 389 A C 1.310 178.826 177.584 -0.113 0.000 1.070 389 A CA -0.142 51.695 52.037 -0.332 0.000 0.770 389 A CB 0.412 19.271 19.000 -0.235 0.000 1.008 389 A HN 0.390 nan 8.150 nan 0.000 0.497 390 K N -0.209 120.101 120.400 -0.150 0.000 2.243 390 K HA 0.015 4.336 4.320 0.002 0.000 0.201 390 K C 0.059 176.661 176.600 0.003 0.000 1.051 390 K CA 1.070 57.350 56.287 -0.012 0.000 0.970 390 K CB 0.123 32.633 32.500 0.016 0.000 0.755 390 K HN 0.508 nan 8.250 nan 0.000 0.465 391 K N 0.596 120.973 120.400 -0.039 0.000 2.716 391 K HA 0.159 4.480 4.320 0.002 0.000 0.249 391 K C -2.004 174.572 176.600 -0.039 0.000 1.004 391 K CA -0.437 55.840 56.287 -0.016 0.000 0.968 391 K CB 0.304 32.784 32.500 -0.032 0.000 1.214 391 K HN -0.141 nan 8.250 nan 0.000 0.476 392 F N 5.333 125.149 119.950 -0.223 0.000 2.404 392 F HA 0.674 5.202 4.527 0.002 0.000 0.339 392 F C -0.474 175.093 175.800 -0.387 0.000 1.105 392 F CA -0.452 57.338 58.000 -0.349 0.000 1.087 392 F CB 0.987 39.689 39.000 -0.496 0.000 1.143 392 F HN 0.288 nan 8.300 nan 0.000 0.491 393 V N 3.760 123.054 119.914 -1.034 0.000 3.102 393 V HA 0.862 4.983 4.120 0.002 0.000 0.312 393 V C -1.433 174.184 176.094 -0.795 0.000 1.135 393 V CA -0.992 60.892 62.300 -0.692 0.000 1.022 393 V CB 1.410 33.010 31.823 -0.372 0.000 1.056 393 V HN 0.599 nan 8.190 nan 0.000 0.436 394 V N 1.991 121.732 119.914 -0.288 0.000 2.656 394 V HA 0.550 4.671 4.120 0.002 0.000 0.307 394 V C -1.433 174.645 176.094 -0.027 0.000 1.051 394 V CA -0.466 61.735 62.300 -0.165 0.000 0.893 394 V CB 1.818 33.581 31.823 -0.099 0.000 0.999 394 V HN 0.962 nan 8.190 nan 0.000 0.426 395 Y N 2.996 123.148 120.300 -0.247 0.000 2.327 395 Y HA 0.501 5.052 4.550 0.002 0.000 0.325 395 Y C -0.149 175.541 175.900 -0.350 0.000 0.999 395 Y CA -0.685 57.121 58.100 -0.488 0.000 1.195 395 Y CB 1.530 39.717 38.460 -0.455 0.000 1.132 395 Y HN 0.762 nan 8.280 nan 0.000 0.455 396 E N 5.772 125.568 120.200 -0.674 0.000 2.174 396 E HA 0.587 4.938 4.350 0.002 0.000 0.282 396 E C -1.133 175.134 176.600 -0.555 0.000 0.992 396 E CA -0.671 55.444 56.400 -0.475 0.000 0.803 396 E CB 0.987 30.512 29.700 -0.293 0.000 1.090 396 E HN 0.559 nan 8.360 nan 0.000 0.396 397 V N 1.553 121.250 119.914 -0.361 0.000 3.155 397 V HA 0.557 4.678 4.120 0.002 0.000 0.313 397 V C -0.435 175.585 176.094 -0.124 0.000 1.162 397 V CA -1.152 61.000 62.300 -0.246 0.000 1.048 397 V CB 1.342 33.066 31.823 -0.165 0.000 1.092 397 V HN 0.598 nan 8.190 nan 0.000 0.447 398 L N 1.889 123.078 121.223 -0.056 0.000 2.326 398 L HA 0.507 4.848 4.340 0.002 0.000 0.278 398 L C 1.940 178.826 176.870 0.027 0.000 1.092 398 L CA -0.531 54.301 54.840 -0.014 0.000 0.810 398 L CB 1.405 43.469 42.059 0.008 0.000 1.153 398 L HN 0.943 nan 8.230 nan 0.000 0.439 399 R N 2.232 122.762 120.500 0.050 0.000 2.115 399 R HA -0.135 4.206 4.340 0.002 0.000 0.230 399 R C 1.377 177.730 176.300 0.089 0.000 1.111 399 R CA 1.367 57.539 56.100 0.120 0.000 0.976 399 R CB -0.239 30.171 30.300 0.183 0.000 0.870 399 R HN 0.763 nan 8.270 nan 0.000 0.445 400 E N 1.053 121.282 120.200 0.049 0.000 2.268 400 E HA -0.185 4.166 4.350 0.002 0.000 0.195 400 E C 0.473 177.091 176.600 0.029 0.000 0.995 400 E CA 1.127 57.541 56.400 0.022 0.000 0.836 400 E CB -0.104 29.606 29.700 0.016 0.000 0.763 400 E HN 0.466 nan 8.360 nan 0.000 0.491 401 D N 0.856 121.295 120.400 0.065 0.000 2.327 401 D HA 0.038 4.680 4.640 0.002 0.000 0.205 401 D C 1.034 177.392 176.300 0.097 0.000 0.989 401 D CA 0.526 54.588 54.000 0.104 0.000 0.873 401 D CB 0.398 41.276 40.800 0.131 0.000 0.955 401 D HN 0.373 nan 8.370 nan 0.000 0.515 402 E N -1.105 119.151 120.200 0.093 0.000 2.702 402 E HA 0.085 4.436 4.350 0.002 0.000 0.225 402 E C -0.527 176.191 176.600 0.198 0.000 0.942 402 E CA -0.225 56.242 56.400 0.112 0.000 1.210 402 E CB 1.608 31.359 29.700 0.085 0.000 1.143 402 E HN -0.022 nan 8.360 nan 0.000 0.544 403 F N 1.553 121.490 119.950 -0.022 0.000 2.831 403 F HA 0.396 4.924 4.527 0.002 0.000 0.346 403 F C -1.345 174.435 175.800 -0.034 0.000 1.224 403 F CA -0.824 57.162 58.000 -0.023 0.000 1.048 403 F CB 1.920 40.906 39.000 -0.022 0.000 1.339 403 F HN -0.258 nan 8.300 nan 0.000 0.514 404 S N 8.397 123.851 115.700 -0.409 0.000 2.381 404 S HA 0.475 4.946 4.470 0.002 0.000 0.193 404 S C -3.037 171.288 174.600 -0.458 0.000 1.287 404 S CA -1.076 56.841 58.200 -0.473 0.000 1.199 404 S CB 0.785 63.839 63.200 -0.242 0.000 1.214 404 S HN 0.429 nan 8.310 nan 0.000 0.444 405 P HA 0.317 nan 4.420 nan 0.000 0.277 405 P C -0.879 176.268 177.300 -0.256 0.000 1.240 405 P CA -0.757 62.119 63.100 -0.373 0.000 0.798 405 P CB 0.902 32.384 31.700 -0.364 0.000 0.979 406 L N 3.214 124.324 121.223 -0.189 0.000 2.283 406 L HA 0.323 4.664 4.340 0.002 0.000 0.281 406 L C 0.704 177.466 176.870 -0.181 0.000 1.033 406 L CA 0.348 55.067 54.840 -0.202 0.000 0.848 406 L CB 0.435 42.359 42.059 -0.226 0.000 1.226 406 L HN 0.205 nan 8.230 nan 0.000 0.429 407 K N 2.381 122.680 120.400 -0.168 0.000 2.474 407 K HA 0.384 4.705 4.320 0.002 0.000 0.202 407 K C -0.222 176.300 176.600 -0.130 0.000 1.248 407 K CA 0.107 56.316 56.287 -0.130 0.000 0.946 407 K CB 0.567 33.004 32.500 -0.106 0.000 1.102 407 K HN 0.508 nan 8.250 nan 0.000 0.541 408 N N 0.508 119.121 118.700 -0.143 0.000 2.312 408 N HA 0.418 5.159 4.740 0.002 0.000 0.296 408 N C -0.927 174.500 175.510 -0.137 0.000 1.193 408 N CA -0.456 52.522 53.050 -0.121 0.000 0.773 408 N CB 2.037 40.467 38.487 -0.095 0.000 1.435 408 N HN -0.043 nan 8.380 nan 0.000 0.484 409 A N 0.033 122.791 122.820 -0.104 0.000 2.304 409 A HA 0.209 4.530 4.320 0.002 0.000 0.271 409 A C 0.596 178.144 177.584 -0.060 0.000 1.091 409 A CA -0.188 51.799 52.037 -0.083 0.000 0.812 409 A CB 0.214 19.185 19.000 -0.049 0.000 1.056 409 A HN 0.619 nan 8.150 nan 0.000 0.489 410 D N 0.579 120.957 120.400 -0.037 0.000 2.178 410 D HA -0.128 4.513 4.640 0.002 0.000 0.201 410 D C 2.121 178.406 176.300 -0.025 0.000 0.980 410 D CA 2.040 56.024 54.000 -0.028 0.000 0.842 410 D CB -0.183 40.614 40.800 -0.006 0.000 0.948 410 D HN 0.616 nan 8.370 nan 0.000 0.472 411 S N -0.784 114.904 115.700 -0.019 0.000 2.603 411 S HA -0.017 4.455 4.470 0.002 0.000 0.229 411 S C 1.231 175.818 174.600 -0.021 0.000 0.972 411 S CA 0.225 58.416 58.200 -0.016 0.000 0.935 411 S CB 0.119 63.313 63.200 -0.010 0.000 0.769 411 S HN 0.220 nan 8.310 nan 0.000 0.536 412 Q N 1.921 121.703 119.800 -0.029 0.000 3.080 412 Q HA 0.263 4.604 4.340 0.002 0.000 0.219 412 Q C 1.468 177.450 176.000 -0.030 0.000 1.169 412 Q CA 0.215 56.001 55.803 -0.029 0.000 0.315 412 Q CB -0.199 28.518 28.738 -0.035 0.000 5.814 412 Q HN 0.537 nan 8.270 nan 0.000 0.319 413 N N -0.369 118.309 118.700 -0.036 0.000 2.515 413 N HA 0.033 4.774 4.740 0.002 0.000 0.185 413 N C 0.682 176.167 175.510 -0.042 0.000 1.109 413 N CA 1.130 54.158 53.050 -0.036 0.000 0.903 413 N CB 0.517 38.982 38.487 -0.036 0.000 0.969 413 N HN 0.682 nan 8.380 nan 0.000 0.450 414 G N -1.015 107.756 108.800 -0.049 0.000 2.176 414 G HA2 -0.230 3.731 3.960 0.002 0.000 0.232 414 G HA3 -0.230 3.731 3.960 0.002 0.000 0.232 414 G C -0.184 174.677 174.900 -0.065 0.000 0.986 414 G CA 0.276 45.344 45.100 -0.053 0.000 0.643 414 G HN 0.526 nan 8.290 nan 0.000 0.522 415 K N -0.164 120.191 120.400 -0.074 0.000 2.466 415 K HA 0.502 4.823 4.320 0.002 0.000 0.260 415 K C -0.573 175.961 176.600 -0.109 0.000 1.011 415 K CA -0.683 55.550 56.287 -0.090 0.000 0.871 415 K CB 1.299 33.747 32.500 -0.087 0.000 1.404 415 K HN -0.033 nan 8.250 nan 0.000 0.450 416 D N 1.646 121.965 120.400 -0.135 0.000 2.697 416 D HA -0.188 4.453 4.640 0.002 0.000 0.235 416 D C -0.707 175.500 176.300 -0.155 0.000 1.167 416 D CA 1.234 55.133 54.000 -0.169 0.000 0.656 416 D CB -1.305 39.391 40.800 -0.174 0.000 1.025 416 D HN 0.679 nan 8.370 nan 0.000 0.419 417 N N -2.834 115.784 118.700 -0.137 0.000 2.966 417 N HA 0.589 5.330 4.740 0.002 0.000 0.314 417 N C -2.498 172.939 175.510 -0.121 0.000 1.397 417 N CA -1.751 51.219 53.050 -0.134 0.000 0.776 417 N CB 0.604 39.033 38.487 -0.097 0.000 1.576 417 N HN -0.317 nan 8.380 nan 0.000 0.592 418 P HA -0.070 nan 4.420 nan 0.000 0.216 418 P C 0.737 178.042 177.300 0.007 0.000 1.150 418 P CA 1.761 64.836 63.100 -0.041 0.000 0.837 418 P CB 0.023 31.766 31.700 0.071 0.000 0.786 419 T N -0.941 113.626 114.554 0.022 0.000 2.737 419 T HA -0.148 4.204 4.350 0.002 0.000 0.265 419 T C 1.888 176.664 174.700 0.126 0.000 1.038 419 T CA 2.289 64.446 62.100 0.094 0.000 1.144 419 T CB -1.349 67.546 68.868 0.045 0.000 0.866 419 T HN 0.326 nan 8.240 nan 0.000 0.434 420 T N 1.120 115.676 114.554 0.003 0.000 2.788 420 T HA 0.030 4.381 4.350 0.002 0.000 0.268 420 T C 2.250 176.926 174.700 -0.040 0.000 1.044 420 T CA 1.145 63.227 62.100 -0.029 0.000 1.139 420 T CB -0.605 68.209 68.868 -0.090 0.000 0.867 420 T HN 0.327 nan 8.240 nan 0.000 0.454 421 A N 3.380 126.158 122.820 -0.071 0.000 1.858 421 A HA -0.099 4.222 4.320 0.002 0.000 0.216 421 A C 2.572 180.095 177.584 -0.102 0.000 1.190 421 A CA 1.997 53.972 52.037 -0.104 0.000 0.617 421 A CB -0.755 18.178 19.000 -0.112 0.000 0.827 421 A HN 0.774 nan 8.150 nan 0.000 0.443 422 R N -1.253 119.196 120.500 -0.084 0.000 2.096 422 R HA -0.164 4.177 4.340 0.002 0.000 0.235 422 R C 1.842 177.994 176.300 -0.247 0.000 1.127 422 R CA 1.952 57.953 56.100 -0.166 0.000 0.968 422 R CB -0.850 29.344 30.300 -0.177 0.000 0.861 422 R HN 0.586 nan 8.270 nan 0.000 0.440 423 H N 0.668 119.662 119.070 -0.127 0.000 2.423 423 H HA 0.134 4.692 4.556 0.002 0.000 0.297 423 H C 2.206 177.440 175.328 -0.156 0.000 1.075 423 H CA 1.652 57.619 56.048 -0.134 0.000 1.342 423 H CB 0.058 29.754 29.762 -0.110 0.000 1.395 423 H HN 0.471 nan 8.280 nan 0.000 0.530 424 A N 1.017 123.799 122.820 -0.063 0.000 1.898 424 A HA -0.097 4.225 4.320 0.002 0.000 0.216 424 A C 2.252 179.709 177.584 -0.211 0.000 1.181 424 A CA 0.983 52.950 52.037 -0.116 0.000 0.620 424 A CB -0.580 18.347 19.000 -0.122 0.000 0.819 424 A HN 0.361 nan 8.150 nan 0.000 0.442 425 L N -0.371 120.686 121.223 -0.276 0.000 1.994 425 L HA -0.152 4.189 4.340 0.002 0.000 0.208 425 L C 2.453 178.968 176.870 -0.592 0.000 1.071 425 L CA 2.365 56.919 54.840 -0.476 0.000 0.745 425 L CB -0.949 40.848 42.059 -0.437 0.000 0.892 425 L HN 0.466 nan 8.230 nan 0.000 0.431 426 M N -0.970 118.386 119.600 -0.405 0.000 2.159 426 M HA -0.211 4.270 4.480 0.002 0.000 0.263 426 M C 2.445 178.611 176.300 -0.224 0.000 1.063 426 M CA 1.963 57.070 55.300 -0.323 0.000 1.110 426 M CB -0.406 32.021 32.600 -0.288 0.000 1.374 426 M HN 0.319 nan 8.290 nan 0.000 0.411 427 S N 0.772 116.370 115.700 -0.170 0.000 2.368 427 S HA -0.135 4.336 4.470 0.002 0.000 0.224 427 S C 1.781 176.331 174.600 -0.083 0.000 1.029 427 S CA 1.025 59.188 58.200 -0.061 0.000 0.988 427 S CB -0.226 62.953 63.200 -0.034 0.000 0.838 427 S HN 0.366 nan 8.310 nan 0.000 0.462 428 L N 1.838 122.927 121.223 -0.224 0.000 1.989 428 L HA -0.088 4.254 4.340 0.002 0.000 0.211 428 L C 2.186 178.753 176.870 -0.505 0.000 1.071 428 L CA 2.298 56.934 54.840 -0.340 0.000 0.749 428 L CB -1.155 40.644 42.059 -0.433 0.000 0.890 428 L HN 0.370 nan 8.230 nan 0.000 0.431 429 H N -1.446 117.206 119.070 -0.697 0.000 2.421 429 H HA -0.152 4.405 4.556 0.002 0.000 0.298 429 H C 2.183 177.450 175.328 -0.102 0.000 1.087 429 H CA 1.608 57.314 56.048 -0.569 0.000 1.330 429 H CB -0.697 28.825 29.762 -0.400 0.000 1.388 429 H HN 0.613 nan 8.280 nan 0.000 0.526 430 H N -0.159 118.882 119.070 -0.047 0.000 2.353 430 H HA -0.123 4.434 4.556 0.002 0.000 0.300 430 H C 1.767 177.165 175.328 0.117 0.000 1.090 430 H CA 1.637 57.681 56.048 -0.006 0.000 1.327 430 H CB -0.166 29.475 29.762 -0.202 0.000 1.383 430 H HN 0.292 nan 8.280 nan 0.000 0.508 431 C N 0.515 119.747 119.300 -0.113 0.000 2.425 431 C HA -0.151 4.310 4.460 0.002 0.000 0.277 431 C C 2.597 177.678 174.990 0.152 0.000 1.280 431 C CA 0.410 59.380 59.018 -0.080 0.000 1.744 431 C CB -1.507 26.238 27.740 0.008 0.000 1.989 431 C HN 0.722 nan 8.230 nan 0.000 0.491 432 W N 0.647 121.947 121.300 -0.001 0.000 2.342 432 W HA -0.071 4.590 4.660 0.002 0.000 0.297 432 W C 2.330 178.837 176.519 -0.020 0.000 1.213 432 W CA 0.736 58.073 57.345 -0.013 0.000 1.251 432 W CB -1.619 27.818 29.460 -0.037 0.000 1.136 432 W HN 0.152 nan 8.180 nan 0.000 0.526 433 V N -0.046 120.024 119.914 0.260 0.000 2.358 433 V HA -0.263 3.858 4.120 0.002 0.000 0.246 433 V C 2.291 178.418 176.094 0.055 0.000 1.047 433 V CA 1.249 63.637 62.300 0.148 0.000 1.035 433 V CB -1.063 30.892 31.823 0.220 0.000 0.658 433 V HN -0.027 nan 8.190 nan 0.000 0.452 434 L N 0.540 121.786 121.223 0.039 0.000 2.046 434 L HA -0.112 4.229 4.340 0.002 0.000 0.208 434 L C 2.186 179.033 176.870 -0.038 0.000 1.077 434 L CA 1.737 56.548 54.840 -0.048 0.000 0.747 434 L CB -1.178 40.831 42.059 -0.083 0.000 0.896 434 L HN 0.347 nan 8.230 nan 0.000 0.432 435 N N -0.586 118.123 118.700 0.016 0.000 2.396 435 N HA -0.032 4.709 4.740 0.002 0.000 0.180 435 N C 1.513 177.023 175.510 0.000 0.000 1.028 435 N CA 1.091 54.152 53.050 0.018 0.000 0.893 435 N CB -0.058 38.459 38.487 0.049 0.000 0.967 435 N HN 0.326 nan 8.380 nan 0.000 0.440 436 A N -0.435 122.386 122.820 0.002 0.000 2.307 436 A HA 0.469 4.790 4.320 0.002 0.000 0.218 436 A C 1.427 179.000 177.584 -0.017 0.000 1.228 436 A CA 0.635 52.669 52.037 -0.005 0.000 0.857 436 A CB -0.167 18.839 19.000 0.011 0.000 0.897 436 A HN 0.278 nan 8.150 nan 0.000 0.495 437 G N -2.056 106.709 108.800 -0.059 0.000 2.176 437 G HA2 -0.027 3.934 3.960 0.002 0.000 0.232 437 G HA3 -0.027 3.934 3.960 0.002 0.000 0.232 437 G C 0.696 175.455 174.900 -0.235 0.000 0.986 437 G CA 0.149 45.191 45.100 -0.096 0.000 0.643 437 G HN 1.316 nan 8.290 nan 0.000 0.522 438 G N -0.970 107.689 108.800 -0.234 0.000 2.535 438 G HA2 0.657 4.619 3.960 0.002 0.000 0.303 438 G HA3 0.657 4.619 3.960 0.002 0.000 0.303 438 G C -0.489 174.031 174.900 -0.632 0.000 1.237 438 G CA -0.364 44.590 45.100 -0.243 0.000 0.986 438 G HN 0.470 nan 8.290 nan 0.000 0.494 439 H N -1.496 117.549 119.070 -0.042 0.000 3.008 439 H HA 0.409 4.966 4.556 0.002 0.000 0.354 439 H C -1.466 173.702 175.328 -0.266 0.000 1.252 439 H CA -0.433 55.585 56.048 -0.049 0.000 1.117 439 H CB 1.970 31.716 29.762 -0.027 0.000 1.857 439 H HN 0.337 nan 8.280 nan 0.000 0.547 440 F N 1.212 121.325 119.950 0.270 0.000 2.522 440 F HA 0.509 5.037 4.527 0.002 0.000 0.324 440 F C 0.556 176.409 175.800 0.089 0.000 1.077 440 F CA -0.789 57.325 58.000 0.190 0.000 0.944 440 F CB 1.607 40.726 39.000 0.197 0.000 1.175 440 F HN 0.322 nan 8.300 nan 0.000 0.468 441 I N -1.080 119.569 120.570 0.132 0.000 2.934 441 I HA 0.632 4.803 4.170 0.002 0.000 0.306 441 I C -1.131 175.047 176.117 0.101 0.000 1.110 441 I CA -1.154 60.163 61.300 0.029 0.000 1.019 441 I CB 2.069 39.972 38.000 -0.161 0.000 1.227 441 I HN 0.496 nan 8.210 nan 0.000 0.434 442 D N 1.979 122.451 120.400 0.121 0.000 2.478 442 D HA 0.141 4.782 4.640 0.002 0.000 0.274 442 D C 0.575 177.035 176.300 0.267 0.000 1.234 442 D CA -0.172 53.932 54.000 0.174 0.000 1.069 442 D CB 0.508 41.374 40.800 0.110 0.000 1.113 442 D HN 0.655 nan 8.370 nan 0.000 0.571 443 E N -1.187 119.129 120.200 0.194 0.000 2.265 443 E HA -0.089 4.262 4.350 0.002 0.000 0.196 443 E C 0.888 177.575 176.600 0.146 0.000 0.996 443 E CA 0.880 57.367 56.400 0.144 0.000 0.832 443 E CB -0.176 29.554 29.700 0.050 0.000 0.756 443 E HN 0.314 nan 8.360 nan 0.000 0.491 444 N N -0.705 118.069 118.700 0.124 0.000 2.280 444 N HA 0.076 4.818 4.740 0.002 0.000 0.192 444 N C 0.688 176.252 175.510 0.089 0.000 1.109 444 N CA 0.852 53.954 53.050 0.087 0.000 0.855 444 N CB 1.273 39.792 38.487 0.053 0.000 0.974 444 N HN 0.236 nan 8.380 nan 0.000 0.482 445 G N 0.437 109.307 108.800 0.118 0.000 2.137 445 G HA2 -0.250 3.711 3.960 0.002 0.000 0.237 445 G HA3 -0.250 3.711 3.960 0.002 0.000 0.237 445 G C -0.224 174.677 174.900 0.003 0.000 1.002 445 G CA 0.091 45.212 45.100 0.035 0.000 0.702 445 G HN 0.279 nan 8.290 nan 0.000 0.515 446 S N 0.216 115.932 115.700 0.026 0.000 2.562 446 S HA 0.549 5.020 4.470 0.002 0.000 0.275 446 S C 0.782 175.394 174.600 0.021 0.000 1.281 446 S CA -0.673 57.536 58.200 0.016 0.000 1.045 446 S CB 1.216 64.432 63.200 0.027 0.000 0.962 446 S HN 0.454 nan 8.310 nan 0.000 0.503 447 R N 1.654 122.160 120.500 0.010 0.000 2.442 447 R HA 0.240 4.581 4.340 0.002 0.000 0.291 447 R C -0.449 175.899 176.300 0.080 0.000 1.069 447 R CA -0.075 56.045 56.100 0.035 0.000 1.022 447 R CB 0.169 30.465 30.300 -0.007 0.000 0.976 447 R HN 0.516 nan 8.270 nan 0.000 0.443 448 L N 5.248 126.554 121.223 0.139 0.000 2.375 448 L HA 0.369 4.710 4.340 0.002 0.000 0.271 448 L C -1.440 175.530 176.870 0.167 0.000 1.107 448 L CA -1.928 52.999 54.840 0.145 0.000 0.806 448 L CB 0.867 43.029 42.059 0.172 0.000 1.146 448 L HN 0.423 nan 8.230 nan 0.000 0.447 449 P HA 0.104 nan 4.420 nan 0.000 0.274 449 P C -0.008 177.398 177.300 0.178 0.000 1.256 449 P CA -0.433 62.744 63.100 0.128 0.000 0.795 449 P CB 1.059 32.809 31.700 0.084 0.000 1.038 450 A N 1.378 124.301 122.820 0.172 0.000 1.969 450 A HA 0.007 4.329 4.320 0.002 0.000 0.218 450 A C 1.313 179.025 177.584 0.214 0.000 1.169 450 A CA 1.011 53.176 52.037 0.212 0.000 0.635 450 A CB -0.714 18.360 19.000 0.123 0.000 0.810 450 A HN 0.544 nan 8.150 nan 0.000 0.445 451 I N 1.600 122.241 120.570 0.119 0.000 2.410 451 I HA 0.265 4.436 4.170 0.002 0.000 0.286 451 I C -2.360 173.782 176.117 0.042 0.000 1.009 451 I CA -2.276 59.068 61.300 0.073 0.000 1.111 451 I CB 1.941 39.971 38.000 0.050 0.000 1.262 451 I HN 0.093 nan 8.210 nan 0.000 0.443 452 P HA 0.134 nan 4.420 nan 0.000 0.268 452 P C -0.959 176.340 177.300 -0.001 0.000 1.205 452 P CA -0.318 62.779 63.100 -0.004 0.000 0.771 452 P CB 0.596 32.273 31.700 -0.039 0.000 0.858 453 R N 2.692 123.195 120.500 0.004 0.000 2.216 453 R HA 0.396 4.737 4.340 0.002 0.000 0.332 453 R C -0.089 176.208 176.300 -0.005 0.000 1.056 453 R CA -0.417 55.684 56.100 0.002 0.000 0.901 453 R CB 0.160 30.465 30.300 0.008 0.000 1.039 453 R HN 0.465 nan 8.270 nan 0.000 0.456 454 L N 4.194 125.410 121.223 -0.012 0.000 2.360 454 L HA 0.279 4.620 4.340 0.002 0.000 0.265 454 L C 0.767 177.628 176.870 -0.014 0.000 1.066 454 L CA -0.295 54.535 54.840 -0.017 0.000 0.929 454 L CB 0.698 42.739 42.059 -0.029 0.000 1.306 454 L HN 0.552 nan 8.230 nan 0.000 0.434 455 K N 0.734 121.129 120.400 -0.009 0.000 2.365 455 K HA 0.136 4.457 4.320 0.002 0.000 0.195 455 K C 0.172 176.768 176.600 -0.007 0.000 1.079 455 K CA 0.305 56.587 56.287 -0.007 0.000 0.979 455 K CB 0.637 33.136 32.500 -0.003 0.000 0.929 455 K HN 0.627 nan 8.250 nan 0.000 0.523 456 D N -1.318 119.079 120.400 -0.005 0.000 2.340 456 D HA 0.385 5.026 4.640 0.002 0.000 0.243 456 D C 0.810 177.106 176.300 -0.006 0.000 0.988 456 D CA -0.482 53.516 54.000 -0.004 0.000 0.959 456 D CB 1.171 41.971 40.800 -0.001 0.000 1.226 456 D HN -0.114 nan 8.370 nan 0.000 0.509 457 A N 0.880 123.697 122.820 -0.005 0.000 1.986 457 A HA -0.227 4.094 4.320 0.002 0.000 0.220 457 A C 1.603 179.185 177.584 -0.004 0.000 1.171 457 A CA 1.324 53.357 52.037 -0.006 0.000 0.640 457 A CB -0.761 18.237 19.000 -0.005 0.000 0.811 457 A HN 0.608 nan 8.150 nan 0.000 0.451 458 N N 0.560 119.259 118.700 -0.001 0.000 2.422 458 N HA 0.004 4.745 4.740 0.002 0.000 0.181 458 N C -0.658 174.853 175.510 0.001 0.000 1.080 458 N CA 0.232 53.283 53.050 0.001 0.000 0.893 458 N CB -0.104 38.385 38.487 0.004 0.000 0.973 458 N HN 0.380 nan 8.380 nan 0.000 0.456 459 D N 1.051 121.450 120.400 -0.002 0.000 2.458 459 D HA 0.098 4.740 4.640 0.002 0.000 0.243 459 D C 0.483 176.779 176.300 -0.007 0.000 1.146 459 D CA 0.248 54.246 54.000 -0.004 0.000 0.877 459 D CB 1.276 42.072 40.800 -0.006 0.000 1.176 459 D HN -0.055 nan 8.370 nan 0.000 0.461 460 V N -0.155 119.754 119.914 -0.008 0.000 3.007 460 V HA 0.676 4.798 4.120 0.002 0.000 0.311 460 V C -2.556 173.521 176.094 -0.028 0.000 1.120 460 V CA -1.791 60.505 62.300 -0.006 0.000 0.980 460 V CB 1.771 33.598 31.823 0.006 0.000 1.033 460 V HN 0.340 nan 8.190 nan 0.000 0.429 461 P HA 0.418 nan 4.420 nan 0.000 0.272 461 P C -0.191 177.011 177.300 -0.162 0.000 1.240 461 P CA -0.361 62.688 63.100 -0.084 0.000 0.791 461 P CB 0.825 32.511 31.700 -0.022 0.000 0.978 462 I N 1.061 121.435 120.570 -0.326 0.000 2.598 462 I HA -0.026 4.145 4.170 0.002 0.000 0.284 462 I C 1.083 176.970 176.117 -0.383 0.000 1.140 462 I CA 0.482 61.510 61.300 -0.453 0.000 1.420 462 I CB -0.070 37.366 38.000 -0.940 0.000 1.387 462 I HN 0.178 nan 8.210 nan 0.000 0.553 463 Q N 5.884 125.533 119.800 -0.252 0.000 2.303 463 Q HA 0.421 4.763 4.340 0.002 0.000 0.257 463 Q C -1.009 174.906 176.000 -0.142 0.000 0.941 463 Q CA -0.373 55.318 55.803 -0.188 0.000 0.931 463 Q CB 2.066 30.734 28.738 -0.116 0.000 1.215 463 Q HN 0.676 nan 8.270 nan 0.000 0.437 464 C N 3.096 122.322 119.300 -0.124 0.000 2.782 464 C HA 0.533 4.995 4.460 0.002 0.000 0.328 464 C C -1.374 173.625 174.990 0.015 0.000 1.145 464 C CA -0.254 58.761 59.018 -0.004 0.000 1.358 464 C CB 1.555 29.324 27.740 0.048 0.000 1.841 464 C HN 1.026 nan 8.230 nan 0.000 0.477 465 E N 5.330 125.574 120.200 0.074 0.000 2.274 465 E HA 0.547 4.898 4.350 0.002 0.000 0.269 465 E C -1.407 175.292 176.600 0.164 0.000 0.891 465 E CA -0.518 55.970 56.400 0.147 0.000 0.784 465 E CB 1.239 30.968 29.700 0.049 0.000 1.225 465 E HN 0.687 nan 8.360 nan 0.000 0.412 466 I N 3.103 123.821 120.570 0.246 0.000 2.362 466 I HA 0.168 4.339 4.170 0.002 0.000 0.289 466 I C 0.618 176.771 176.117 0.059 0.000 0.994 466 I CA -0.532 60.777 61.300 0.015 0.000 1.158 466 I CB 1.115 39.060 38.000 -0.091 0.000 1.315 466 I HN 0.450 nan 8.210 nan 0.000 0.451 467 S N 7.760 123.486 115.700 0.045 0.000 2.560 467 S HA 0.169 4.640 4.470 0.002 0.000 0.284 467 S C -1.476 173.173 174.600 0.081 0.000 1.327 467 S CA -0.567 57.675 58.200 0.070 0.000 1.055 467 S CB 0.851 64.084 63.200 0.054 0.000 0.868 467 S HN 0.393 nan 8.310 nan 0.000 0.506 468 P HA -0.059 nan 4.420 nan 0.000 0.219 468 P C 1.211 178.579 177.300 0.113 0.000 1.146 468 P CA 1.049 64.222 63.100 0.123 0.000 0.808 468 P CB -0.005 31.767 31.700 0.119 0.000 0.779 469 L N -1.707 119.568 121.223 0.087 0.000 2.191 469 L HA -0.154 4.187 4.340 0.002 0.000 0.212 469 L C 2.027 178.931 176.870 0.057 0.000 1.103 469 L CA 1.069 55.953 54.840 0.074 0.000 0.769 469 L CB -0.749 41.352 42.059 0.070 0.000 0.908 469 L HN 0.010 nan 8.230 nan 0.000 0.438 470 I N -1.672 118.920 120.570 0.037 0.000 2.494 470 I HA -0.006 4.165 4.170 0.002 0.000 0.250 470 I C 1.072 177.195 176.117 0.010 0.000 1.112 470 I CA 0.789 62.095 61.300 0.010 0.000 1.438 470 I CB -0.186 37.762 38.000 -0.087 0.000 1.111 470 I HN 0.060 nan 8.210 nan 0.000 0.431 471 S N -1.425 114.281 115.700 0.011 0.000 2.614 471 S HA 0.286 4.758 4.470 0.002 0.000 0.275 471 S C 0.129 174.729 174.600 -0.001 0.000 1.161 471 S CA -0.573 57.594 58.200 -0.055 0.000 0.969 471 S CB 1.040 64.130 63.200 -0.183 0.000 1.059 471 S HN 0.201 nan 8.310 nan 0.000 0.482 472 Y N 4.539 124.768 120.300 -0.118 0.000 2.269 472 Y HA 0.451 5.002 4.550 0.002 0.000 0.294 472 Y C 1.311 177.184 175.900 -0.044 0.000 1.120 472 Y CA 1.655 59.739 58.100 -0.026 0.000 1.159 472 Y CB 0.242 38.694 38.460 -0.013 0.000 1.024 472 Y HN 0.752 nan 8.280 nan 0.000 0.532 473 A N -1.523 121.133 122.820 -0.273 0.000 2.579 473 A HA 0.569 4.890 4.320 0.002 0.000 0.254 473 A C 0.988 177.875 177.584 -1.160 0.000 0.873 473 A CA 0.322 52.091 52.037 -0.447 0.000 1.106 473 A CB -0.453 18.537 19.000 -0.016 0.000 1.222 473 A HN 0.808 nan 8.150 nan 0.000 0.470 474 G N 0.153 107.748 108.800 -2.008 0.000 2.238 474 G HA2 -0.189 3.772 3.960 0.002 0.000 0.217 474 G HA3 -0.189 3.772 3.960 0.002 0.000 0.217 474 G C 0.177 174.648 174.900 -0.714 0.000 0.996 474 G CA 0.181 44.179 45.100 -1.838 0.000 0.632 474 G HN 1.000 nan 8.290 nan 0.000 0.503 475 E N 1.398 121.320 120.200 -0.463 0.000 2.374 475 E HA 0.469 4.821 4.350 0.002 0.000 0.260 475 E C 1.129 177.645 176.600 -0.140 0.000 1.101 475 E CA 0.429 56.702 56.400 -0.212 0.000 0.907 475 E CB 0.626 30.262 29.700 -0.107 0.000 1.014 475 E HN 1.761 nan 8.360 nan 0.000 0.427 476 G N 1.684 110.448 108.800 -0.060 0.000 2.160 476 G HA2 -0.248 3.713 3.960 0.002 0.000 0.251 476 G HA3 -0.248 3.713 3.960 0.002 0.000 0.251 476 G C 0.448 175.392 174.900 0.073 0.000 1.008 476 G CA 0.550 45.651 45.100 0.000 0.000 0.724 476 G HN 0.452 nan 8.290 nan 0.000 0.514 477 L N -1.070 120.184 121.223 0.051 0.000 2.638 477 L HA 0.282 4.623 4.340 0.002 0.000 0.232 477 L C 2.313 179.266 176.870 0.138 0.000 1.099 477 L CA 0.460 55.390 54.840 0.150 0.000 0.883 477 L CB 0.095 42.190 42.059 0.060 0.000 1.136 477 L HN 0.123 nan 8.230 nan 0.000 0.492 478 E N 0.672 120.904 120.200 0.053 0.000 2.097 478 E HA -0.238 4.113 4.350 0.002 0.000 0.196 478 E C 2.336 178.948 176.600 0.021 0.000 1.000 478 E CA 1.781 58.200 56.400 0.031 0.000 0.804 478 E CB -0.233 29.468 29.700 0.003 0.000 0.740 478 E HN 0.461 nan 8.360 nan 0.000 0.454 479 S N -0.652 115.025 115.700 -0.038 0.000 2.423 479 S HA -0.170 4.301 4.470 0.002 0.000 0.231 479 S C 1.868 176.389 174.600 -0.131 0.000 1.014 479 S CA 0.789 58.912 58.200 -0.128 0.000 0.965 479 S CB -0.448 62.606 63.200 -0.243 0.000 0.785 479 S HN 0.341 nan 8.310 nan 0.000 0.495 480 Y N 1.309 121.615 120.300 0.010 0.000 2.314 480 Y HA 0.159 4.710 4.550 0.002 0.000 0.294 480 Y C 2.597 178.558 175.900 0.101 0.000 1.119 480 Y CA 0.818 58.932 58.100 0.025 0.000 1.179 480 Y CB 0.190 38.629 38.460 -0.035 0.000 1.025 480 Y HN 0.376 nan 8.280 nan 0.000 0.541 481 V N -3.820 116.241 119.914 0.245 0.000 3.548 481 V HA 0.555 4.676 4.120 0.002 0.000 0.279 481 V C 0.871 177.071 176.094 0.177 0.000 1.446 481 V CA -0.254 62.218 62.300 0.286 0.000 1.023 481 V CB -0.685 31.229 31.823 0.152 0.000 0.820 481 V HN 0.075 nan 8.190 nan 0.000 0.438 482 A N 1.668 124.545 122.820 0.096 0.000 2.548 482 A HA 0.311 4.632 4.320 0.002 0.000 0.247 482 A C 0.973 178.592 177.584 0.057 0.000 1.067 482 A CA 0.984 53.051 52.037 0.051 0.000 0.757 482 A CB -0.649 18.369 19.000 0.031 0.000 0.996 482 A HN 0.760 nan 8.150 nan 0.000 0.504 483 D N 0.059 120.502 120.400 0.072 0.000 3.046 483 D HA -0.146 4.495 4.640 0.002 0.000 0.210 483 D C 0.148 176.482 176.300 0.057 0.000 1.124 483 D CA 2.016 56.072 54.000 0.094 0.000 0.986 483 D CB -1.122 39.705 40.800 0.045 0.000 1.118 483 D HN 0.793 nan 8.370 nan 0.000 0.416 484 K N 0.273 120.686 120.400 0.022 0.000 2.211 484 K HA 0.585 4.906 4.320 0.002 0.000 0.237 484 K C 0.220 176.624 176.600 -0.325 0.000 1.002 484 K CA -0.526 55.654 56.287 -0.178 0.000 0.885 484 K CB 1.634 33.988 32.500 -0.245 0.000 1.136 484 K HN -0.039 nan 8.250 nan 0.000 0.448 485 E N 0.734 120.555 120.200 -0.632 0.000 2.288 485 E HA 0.447 4.798 4.350 0.002 0.000 0.268 485 E C -1.279 174.673 176.600 -1.080 0.000 0.885 485 E CA -0.690 55.352 56.400 -0.597 0.000 0.767 485 E CB 1.582 31.094 29.700 -0.314 0.000 1.220 485 E HN 0.227 nan 8.360 nan 0.000 0.427 486 F N 0.276 120.038 119.950 -0.313 0.000 2.576 486 F HA 0.322 4.850 4.527 0.002 0.000 0.313 486 F C 0.069 175.787 175.800 -0.136 0.000 1.078 486 F CA -0.966 56.888 58.000 -0.244 0.000 0.921 486 F CB 1.550 40.378 39.000 -0.287 0.000 1.232 486 F HN 0.334 nan 8.300 nan 0.000 0.459 487 H N 1.555 120.789 119.070 0.273 0.000 2.594 487 H HA 0.564 5.121 4.556 0.002 0.000 0.304 487 H C -0.128 175.383 175.328 0.305 0.000 1.068 487 H CA -0.516 55.681 56.048 0.248 0.000 1.308 487 H CB 1.354 31.209 29.762 0.155 0.000 1.409 487 H HN 0.783 nan 8.280 nan 0.000 0.460 488 A N 5.688 128.767 122.820 0.431 0.000 2.386 488 A HA 0.348 4.669 4.320 0.002 0.000 0.248 488 A C -2.027 175.666 177.584 0.181 0.000 1.082 488 A CA -1.219 50.992 52.037 0.290 0.000 0.789 488 A CB -0.151 18.916 19.000 0.112 0.000 1.025 488 A HN 0.447 nan 8.150 nan 0.000 0.490 489 P HA 0.388 nan 4.420 nan 0.000 0.276 489 P C -1.023 176.371 177.300 0.156 0.000 1.230 489 P CA -0.172 62.986 63.100 0.097 0.000 0.776 489 P CB 0.685 32.413 31.700 0.047 0.000 0.888 490 L N 4.880 126.206 121.223 0.172 0.000 2.333 490 L HA 0.575 4.916 4.340 0.002 0.000 0.280 490 L C -1.199 175.721 176.870 0.084 0.000 1.004 490 L CA -0.286 54.650 54.840 0.160 0.000 0.820 490 L CB 0.753 42.950 42.059 0.229 0.000 1.247 490 L HN 0.263 nan 8.230 nan 0.000 0.416 491 I N 5.998 126.606 120.570 0.064 0.000 2.545 491 I HA 0.461 4.632 4.170 0.002 0.000 0.292 491 I C -0.833 175.261 176.117 -0.038 0.000 1.040 491 I CA -0.510 60.825 61.300 0.058 0.000 1.068 491 I CB 2.107 40.192 38.000 0.142 0.000 1.251 491 I HN 0.493 nan 8.210 nan 0.000 0.424 492 I N 5.499 126.010 120.570 -0.099 0.000 2.439 492 I HA 0.343 4.514 4.170 0.002 0.000 0.285 492 I C -1.162 174.857 176.117 -0.162 0.000 1.021 492 I CA -0.391 60.756 61.300 -0.255 0.000 1.091 492 I CB 1.539 39.291 38.000 -0.413 0.000 1.242 492 I HN 0.623 nan 8.210 nan 0.000 0.439 493 D N 3.808 124.138 120.400 -0.116 0.000 2.867 493 D HA 0.237 4.879 4.640 0.002 0.000 0.308 493 D C 0.480 176.786 176.300 0.010 0.000 1.202 493 D CA -0.507 53.488 54.000 -0.008 0.000 1.035 493 D CB 0.624 41.484 40.800 0.099 0.000 1.427 493 D HN 0.102 nan 8.370 nan 0.000 0.570 494 E N -0.600 119.638 120.200 0.063 0.000 2.333 494 E HA -0.056 4.295 4.350 0.002 0.000 0.198 494 E C 0.554 177.216 176.600 0.103 0.000 1.007 494 E CA 0.654 57.101 56.400 0.077 0.000 0.845 494 E CB -0.319 29.428 29.700 0.078 0.000 0.766 494 E HN 0.357 nan 8.360 nan 0.000 0.507 495 N N 0.117 118.909 118.700 0.153 0.000 2.336 495 N HA 0.100 4.842 4.740 0.002 0.000 0.189 495 N C 0.882 176.514 175.510 0.204 0.000 1.113 495 N CA 0.832 54.002 53.050 0.201 0.000 0.858 495 N CB 1.315 39.939 38.487 0.228 0.000 0.970 495 N HN 0.159 nan 8.380 nan 0.000 0.471 496 G N -0.369 108.449 108.800 0.030 0.000 2.342 496 G HA2 -0.164 3.797 3.960 0.002 0.000 0.220 496 G HA3 -0.164 3.797 3.960 0.002 0.000 0.220 496 G C -1.348 173.214 174.900 -0.564 0.000 1.243 496 G CA -0.703 44.311 45.100 -0.144 0.000 1.083 496 G HN -0.038 nan 8.290 nan 0.000 0.500 497 V N 1.530 121.162 119.914 -0.469 0.000 2.407 497 V HA 0.635 4.756 4.120 0.002 0.000 0.278 497 V C -0.165 175.634 176.094 -0.490 0.000 1.037 497 V CA -0.292 61.751 62.300 -0.428 0.000 0.900 497 V CB 0.916 32.691 31.823 -0.080 0.000 0.983 497 V HN 0.756 nan 8.190 nan 0.000 0.459 498 H N 2.371 121.460 119.070 0.032 0.000 2.689 498 H HA 0.529 5.086 4.556 0.002 0.000 0.346 498 H C -0.829 174.551 175.328 0.086 0.000 1.037 498 H CA -0.584 55.501 56.048 0.062 0.000 1.234 498 H CB 1.647 31.434 29.762 0.042 0.000 1.572 498 H HN 0.608 nan 8.280 nan 0.000 0.524 499 E N 3.437 123.773 120.200 0.227 0.000 2.092 499 E HA 0.256 4.608 4.350 0.002 0.000 0.271 499 E C -0.387 176.310 176.600 0.161 0.000 0.919 499 E CA -0.467 56.061 56.400 0.213 0.000 0.760 499 E CB 1.251 31.107 29.700 0.260 0.000 1.106 499 E HN 0.365 nan 8.360 nan 0.000 0.408 500 L N 3.075 124.378 121.223 0.133 0.000 2.439 500 L HA 0.470 4.811 4.340 0.002 0.000 0.261 500 L C 0.334 177.243 176.870 0.065 0.000 1.153 500 L CA -0.686 54.205 54.840 0.085 0.000 0.808 500 L CB 0.409 42.507 42.059 0.065 0.000 1.126 500 L HN 0.312 nan 8.230 nan 0.000 0.460 501 V N 0.000 119.938 119.914 0.040 0.000 2.409 501 V HA 0.000 4.121 4.120 0.002 0.000 0.244 501 V CA 0.000 62.315 62.300 0.024 0.000 1.235 501 V CB 0.000 31.831 31.823 0.013 0.000 1.184 501 V HN 0.000 nan 8.190 nan 0.000 0.556